*HEADER    TRANSFERASE                             14-JUN-04   1VKR              
*TITLE     STRUCTURE OF IIB DOMAIN OF THE MANNITOL-SPECIFIC PERMEASE             
*TITLE    2 ENZYME II                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MANNITOL-SPECIFIC PTS SYSTEM ENZYME IIABC                  
*COMPND   3 COMPONENTS;                                                          
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: IIB DOMAIN;                                                
*COMPND   6 SYNONYM: IIBMTL PHOSPHOTRANSFERASE ENZYME II, B COMPONENT,           
*COMPND   7 EIIB-MTL;                                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI O157:H7;                       
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    PHOSPHOTRANSFERASE, TRANSFERASE, KINASE, SUGAR TRANSPORT              
*EXPDTA    NMR, RESTRAINED REGULARIZED MEAN STRUCTURE                            
*AUTHOR    G.M.CLORE, P.M.LEGLER, M.CAI                                          
*REVDAT   1   21-SEP-04 1VKR    0                                                
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1. NOE restraints

!Unique NOES
assign (resid 13 and name HB)(resid 13 and name HN) 2.5 0.7 0.4
assign (resid 13 and name HG2#)(resid 13 and name HN) 2.5 0.7 0.4!
assign (resid 14 and name HB#)(resid 14 and name HN) 3.0 1.2 0.5
assign (resid 14 and name HG#)(resid 14 and name HN) 4.0 2.2 1.0
assign (resid 16 and name HB)(resid 16 and name HN) 3.0 1.2 0.5
assign (resid 16 and name HG1#)(resid 16 and name HN) 3.0 1.2 0.5
assign (resid 17 and name HB)(resid 17 and name HN) 3.0 1.2 0.5
assign (resid 18 and name HB)(resid 18 and name HN) 3.0 1.2 0.5
assign (resid 18 and name HG1#)(resid 18 and name HN) 3.0 1.2 1.0
assign (resid 20 and name HB#)(resid 20 and name HN) 4.0 2.2 1.5
assign (resid 22 and name HB#)(resid 22 and name HN) 3.0 1.2 0.5
assign (resid 24 and name HB#)(resid 24 and name HN) 4.0 2.2 1.5
assign (resid 24 and name HG#)(resid 24 and name HN) 4.0 2.2 1.5
assign (resid 27 and name HB#)(resid 27 and name HN) 4.0 2.2 1.0
assign (resid 28 and name HB#)(resid 28 and name HN) 3.0 1.2 1.0
assign (resid 29 and name HB#)(resid 29 and name HN) 3.0 1.2 0.5
assign (resid 29 and name HG#)(resid 29 and name HN) 3.0 1.2 0.5
assign (resid 31 and name HB#)(resid 31 and name HN) 2.5 0.7 0.4
assign (resid 33 and name HB)(resid 33 and name HN) 3.0 1.2 0.5
assign (resid 34 and name HB#)(resid 34 and name HN) 3.0 1.2 0.5
assign (resid 34 and name HD1#)(resid 34 and name HN) 3.0 1.2 1.0
assign (resid 35 and name HB#)(resid 35 and name HN) 3.0 1.2 0.5
assign (resid 39 and name HB#)(resid 39 and name HN) 3.0 1.2 0.5
assign (resid 39 and name HG#)(resid 39 and name HN) 3.0 1.2 0.5
assign (resid 41 and name HB#)(resid 41 and name HN) 2.5 0.7 1.2
assign (resid 43 and name HB#)(resid 43 and name HN) 3.0 1.2 0.5
assign (resid 44 and name HB#)(resid 44 and name HN) 3.0 1.2 0.5
assign (resid 45 and name HB#)(resid 45 and name HN) 4.0 2.2 1.0
assign (resid 45 and name HG#)(resid 45 and name HN) 4.0 2.2 1.0
assign (resid 46 and name HB)(resid 46 and name HN) 3.0 1.2 0.5
assign (resid 46 and name HG1#)(resid 46 and name HN) 3.0 1.2 0.5
assign (resid 46 and name HG2#)(resid 46 and name HN) 3.0 1.2 1.0
assign (resid 47 and name HB#)(resid 47 and name HN) 3.0 1.2 0.5
assign (resid 48 and name HB)(resid 48 and name HN) 3.0 1.2 0.5
assign (resid 49 and name HB)(resid 49 and name HN) 4.0 2.2 1.0
assign (resid 50 and name HB#)(resid 50 and name HN) 4.0 2.2 1.0
assign (resid 50 and name HD2#)(resid 50 and name HN) 4.0 2.2 1.5
assign (resid 51 and name HB#)(resid 51 and name HN) 3.0 1.2 0.5
assign (resid 53 and name HB)(resid 53 and name HN) 3.0 1.2 0.5
assign (resid 53 and name HG1#)(resid 53 and name HN) 3.0 1.2 0.5
assign (resid 53 and name HG2#)(resid 53 and name HN) 3.0 1.2 1.0
assign (resid 54 and name HB#)(resid 54 and name HN) 3.0 1.2 0.5
assign (resid 55 and name HB#)(resid 55 and name HN) 3.0 1.2 0.5
assign (resid 59 and name HB#)(resid 59 and name HN) 3.0 1.2 0.5
assign (resid 60 and name HB)(resid 60 and name HN) 3.0 1.2 0.5
assign (resid 60 and name HG1#)(resid 60 and name HN) 2.5 0.7 0.7
assign (resid 61 and name HB#)(resid 61 and name HN) 3.0 1.2 0.5
assign (resid 63 and name HB)(resid 63 and name HN) 3.0 1.2 0.5
assign (resid 64 and name HB)(resid 64 and name HN) 3.0 1.2 0.5
assign (resid 64 and name HG1#)(resid 64 and name HN) 3.0 1.2 0.5
assign (resid 65 and name HB)(resid 65 and name HN) 4.0 2.2 1.0
assign (resid 68 and name HB#)(resid 68 and name HN) 3.0 1.2 0.5
assign (resid 69 and name HD2#)(resid 69 and name HN) 3.0 1.2 1.0
assign (resid 70 and name HG2#)(resid 70 and name HN) 3.0 1.2 0.5
assign (resid 71 and name HB#)(resid 71 and name HN) 2.5 0.7 0.4
assign (resid 71 and name HG#)(resid 71 and name HN) 4.0 2.2 1.0
assign (resid 73 and name HB#)(resid 73 and name HN) 2.5 0.7 0.4
assign (resid 74 and name HG#)(resid 74 and name HN) 3.0 1.2 0.5
assign (resid 75 and name HB#)(resid 75 and name HN) 4.0 2.2 1.0
assign (resid 75 and name HD#)(resid 75 and name HN) 4.0 2.2 1.0
assign (resid 76 and name HB#)(resid 76 and name HN) 2.5 0.7 0.4!
assign (resid 76 and name HG#)(resid 76 and name HN) 4.0 2.2 1.0
assign (resid 77 and name HB)(resid 77 and name HN) 3.0 1.2 1.0!
assign (resid 77 and name HG*)(resid 77 and name HN) 2.5 0.7 1.4!
assign (resid 80 and name HB#)(resid 80 and name HN) 2.5 0.7 0.4
assign (resid 81 and name HG#)(resid 81 and name HN) 3.0 1.2 1.0
assign (resid 82 and name HB#)(resid 82 and name HN) 3.0 1.2 0.5!
assign (resid 82 and name HD2)(resid 82 and name HN) 3.0 1.2 0.5!
assign (resid 83 and name HB)(resid 83 and name HN) 3.0 1.2 0.5
assign (resid 83 and name HG1#)(resid 83 and name HN) 3.0 1.2 0.5
assign (resid 93 and name HB#)(resid 93 and name HN) 3.0 1.2 0.5
assign (resid 93 and name HD1#)(resid 93 and name HN) 4.0 2.2 1.5
assign (resid 93 and name HD2#)(resid 93 and name HN) 4.0 2.2 1.5
assign (resid 94 and name HB#)(resid 94 and name HN) 3.0 1.2 0.5
assign (resid 94 and name HD#)(resid 94 and name HN) 3.0 1.2 0.5
assign (resid 94 and name HE#)(resid 94 and name HB#) 4.0 2.2 1.0
assign (resid 96 and name HB#)(resid 96 and name HN) 3.0 1.2 0.5
assign (resid 97 and name HB#)(resid 97 and name HN) 3.0 1.2 0.5
assign (resid 99 and name HG#)(resid 99 and name HN) 3.0 1.2 0.5
assign (resid 100 and name HB#)(resid 100 and name HN) 2.5 0.7 0.4
assign (resid 100 and name HG#)(resid 100 and name HN) 3.0 1.2 1.0
assign (resid 102 and name HG2#)(resid 102 and name HN) 2.5 0.7 0.9!
assign (resid 103 and name HB#)(resid 103 and name HN) 2.5 0.7 0.9
assign (resid 103 and name HB#)(resid 103 and name HN) 2.5 0.7 0.4
assign (resid 104 and name HB#)(resid 104 and name HN) 2.5 0.7 0.4!
assign (resid 105 and name HB#)(resid 105 and name HN) 3.0 1.2 0.5
assign (resid 106 and name HD#)(resid 106 and name HN) 4.0 2.2 1.0
assign (resid 109 and name HB#)(resid 109 and name HN) 4.0 2.2 1.5
assign (resid 114 and name HG*)(resid 114 and name HN) 3.0 1.2 1.0
assign (resid 116 and name HB#)(resid 116 and name HN) 4.0 2.2 1.0
assign (resid 13 and name HA)(resid 14 and name HN) 3.0 1.2 0.5
assign (resid 13 and name HN)(resid 14 and name HN) 4.0 2.2 1.0
assign (resid 13 and name HG1#)(resid 14 and name HN) 3.0 1.2 1.0
assign (resid 13 and name HG1#)(resid 14 and name HN) 4.0 2.2 1.5
assign (resid 13 and name HG2#)(resid 14 and name HN) 4.0 2.2 2.5
assign (resid 14 and name HN)(resid 15 and name HN) 2.5 0.7 0.4
assign (resid 14 and name HB#)(resid 15 and name HN) 4.0 2.2 1.0
assign (resid 14 and name HG#)(resid 15 and name HN) 4.0 2.2 2.0
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) 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 16 and name HB)(resid 17 and name HN) 4.0 2.2 2.0
assign (resid 16 and name HN)(resid 17 and name HN) 4.0 2.2 1.0
assign (resid 17 and name HA)(resid 18 and name HN) 2.5 0.7 0.4
assign (resid 17 and name HA)(resid 18 and name HG2#) 4.0 2.2 2.5
assign (resid 17 and name HN)(resid 18 and name HN) 4.0 2.2 1.0
assign (resid 17 and name HG2#)(resid 18 and name HN) 3.0 1.2 1.0
assign (resid 17 and name HG2#)(resid 18 and name HN) 4.0 2.2 1.5
assign (resid 18 and name HA)(resid 19 and name HN) 3.0 1.2 0.5
assign (resid 18 and name HA)(resid 19 and name HN) 3.0 1.2 0.5
assign (resid 18 and name HB)(resid 19 and name HN) 4.0 2.2 1.0
assign (resid 18 and name HN)(resid 19 and name HN) 4.0 2.2 2.0
assign (resid 18 and name HG2#)(resid 19 and name HN) 4.0 2.2 2.5
assign (resid 18 and name HG2#)(resid 19 and name HN) 4.0 2.2 1.5
assign (resid 19 and name HA)(resid 20 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 19 and name HN)(resid 20 and name HN) 4.0 2.2 1.0
assign (resid 19 and name HB#)(resid 20 and name HA) 4.0 2.2 2.5
assign (resid 19 and name HB#)(resid 20 and name HN) 3.0 1.2 1.0
assign (resid 19 and name HB#)(resid 20 and name HN) 3.0 1.2 0.5
assign (resid 20 and name HA)(resid 21 and name HN) 3.0 1.2 0.5
assign (resid 20 and name HA)(resid 21 and name HN) 4.0 2.2 2.0
assign (resid 20 and name HB#)(resid 21 and name HN) 3.0 1.2 0.5
assign (resid 20 and name HB#)(resid 21 and name HN) 4.0 2.2 2.0
assign (resid 21 and name HB#)(resid 22 and name HB#) 4.0 2.2 2.5
assign (resid 22 and name HB#)(resid 23 and name HN) 4.0 2.2 1.5
assign (resid 23 and name HA#)(resid 24 and name HN) 4.0 2.2 1.0
assign (resid 24 and name HB#)(resid 25 and name HA#) 4.0 2.2 2.0
assign (resid 26 and name HB#)(resid 27 and name HB#) 4.0 2.2 2.0
assign (resid 26 and name HB#)(resid 27 and name HB#) 4.0 2.2 2.0
assign (resid 27 and name HA)(resid 28 and name HN) 4.0 2.2 1.0
assign (resid 27 and name HN)(resid 28 and name HN) 4.0 2.2 1.0
assign (resid 27 and name hn)(resid 28 and name hn) 3.0 1.2 0.5
assign (resid 28 and name HA)(resid 29 and name HN) 4.0 2.2 1.0
assign (resid 28 and name HN)(resid 29 and name HN) 4.0 2.2 1.0
assign (resid 28 and name HB#)(resid 29 and name HN) 3.0 1.2 0.5
assign (resid 28 and name HB#)(resid 29 and name HN) 4.0 2.2 1.5
assign (resid 28 and name HB#)(resid 29 and name HG#) 4.0 2.2 2.5
assign (resid 28 and name hn)(resid 27 and name hn) 4.0 2.2 1.0
assign (resid 28 and name hn)(resid 29 and name hn) 3.0 1.2 0.5
assign (resid 29 and name HA)(resid 30 and name HN) 3.0 1.2 0.5
assign (resid 29 and name HA)(resid 30 and name HN) 4.0 2.2 2.0
assign (resid 29 and name HN)(resid 30 and name HN) 3.0 1.2 0.5
assign (resid 29 and name HB#)(resid 30 and name HN) 3.0 1.2 0.5
assign (resid 29 and name HG#)(resid 30 and name HN) 4.0 2.2 1.5
assign (resid 29 and name HG#)(resid 30 and name HN) 4.0 2.2 2.0
assign (resid 30 and name HN)(resid 31 and name HN) 3.0 1.2 0.5
assign (resid 30 and name HN)(resid 31 and name HB#) 4.0 2.2 1.5
assign (resid 30 and name HA#)(resid 31 and name HN) 3.0 1.2 0.5
assign (resid 30 and name HA#)(resid 31 and name HN) 4.0 2.2 2.0
assign (resid 31 and name HA)(resid 32 and name HN) 4.0 2.2 1.0
assign (resid 31 and name HN)(resid 32 and name HN) 3.0 1.2 0.5
assign (resid 31 and name HB#)(resid 32 and name HN) 3.0 1.2 1.0
assign (resid 31 and name HB#)(resid 32 and name HN) 3.0 1.2 1.0
assign (resid 33 and name HB)(resid 34 and name HN) 3.0 1.2 0.5
assign (resid 33 and name HG1#)(resid 34 and name HN) 4.0 2.2 1.5
assign (resid 33 and name HG2#)(resid 34 and name HN) 3.0 1.2 1.0!
assign (resid 34 and name HN)(resid 35 and name HA) 4.0 2.2 2.0
assign (resid 34 and name HN)(resid 35 and name HN) 3.0 1.2 0.5
assign (resid 34 and name HB#)(resid 35 and name HA) 4.0 2.2 2.0
assign (resid 34 and name HB#)(resid 35 and name HN) 4.0 2.2 1.0
assign (resid 34 and name HD1#)(resid 35 and name HN) 4.0 2.2 1.5
assign (resid 35 and name HA)(resid 36 and name HN) 4.0 2.2 2.0
assign (resid 35 and name HN)(resid 36 and name HN) 3.0 1.2 0.5
assign (resid 35 and name HG#)(resid 36 and name HN) 4.0 2.2 1.0
assign (resid 36 and name HN)(resid 37 and name HN) 3.0 1.2 0.5
assign (resid 36 and name HB#)(resid 37 and name HN) 3.0 1.2 0.5
assign (resid 36 and name HB#)(resid 37 and name HN) 4.0 2.2 1.0
assign (resid 37 and name HA)(resid 38 and name HN) 4.0 2.2 2.0
assign (resid 37 and name HN)(resid 38 and name HN) 3.0 1.2 0.5
assign (resid 37 and name HG#)(resid 38 and name HA) 4.0 2.2 2.0
assign (resid 38 and name HG2#)(resid 39 and name HA) 4.0 2.2 2.5
assign (resid 38 and name HG2#)(resid 39 and name HA) 4.0 2.2 2.5
assign (resid 38 and name HG2#)(resid 39 and name HN) 4.0 2.2 1.5
assign (resid 38 and name HG2#)(resid 39 and name HG#) 4.0 2.2 2.5
assign (resid 39 and name HA)(resid 40 and name HN) 3.0 1.2 0.5
assign (resid 39 and name HA)(resid 40 and name HN) 4.0 2.2 1.0
assign (resid 39 and name HN)(resid 40 and name HN) 3.0 1.2 0.5
assign (resid 39 and name HB#)(resid 40 and name HN) 3.0 1.2 0.5
assign (resid 39 and name HB#)(resid 40 and name HN) 4.0 2.2 1.0
assign (resid 39 and name HG#)(resid 40 and name HN) 4.0 2.2 1.0
assign (resid 39 and name HG#)(resid 40 and name HN) 4.0 2.2 2.0
assign (resid 40 and name HA)(resid 41 and name HN) 4.0 2.2 1.0
assign (resid 40 and name HA)(resid 41 and name HB#) 4.0 2.2 2.5
assign (resid 40 and name HN)(resid 41 and name HN) 3.0 1.2 0.5
assign (resid 40 and name HN)(resid 41 and name HB#) 4.0 2.2 2.5
assign (resid 40 and name HB#)(resid 41 and name HN) 3.0 1.2 0.5
assign (resid 40 and name HB#)(resid 41 and name HN) 4.0 2.2 1.0
assign (resid 41 and name HA)(resid 42 and name HN) 3.0 1.2 0.5
assign (resid 41 and name HA)(resid 42 and name HN) 4.0 2.2 1.0
assign (resid 41 and name HN)(resid 42 and name HN) 3.0 1.2 0.5
assign (resid 41 and name HN)(resid 42 and name HA#) 4.0 2.2 2.0
assign (resid 41 and name HB#)(resid 42 and name HN) 3.0 1.2 0.5
assign (resid 41 and name HB#)(resid 42 and name HN) 4.0 2.2 1.5
assign (resid 41 and name HB#)(resid 42 and name HA#) 4.0 2.2 2.5
assign (resid 42 and name HN)(resid 43 and name HN) 3.0 1.2 0.5
assign (resid 42 and name HA#)(resid 43 and name HN) 3.0 1.2 0.5
assign (resid 42 and name HA#)(resid 43 and name HN) 4.0 2.2 2.0
assign (resid 43 and name HN)(resid 44 and name HN) 4.0 2.2 1.0
assign (resid 43 and name HB#)(resid 44 and name HN) 4.0 2.2 1.0
assign (resid 44 and name HA)(resid 45 and name HN) 4.0 2.2 1.0
assign (resid 44 and name HN)(resid 45 and name HN) 4.0 2.2 1.5
assign (resid 45 and name HA)(resid 46 and name HN) 3.0 1.2 0.5
assign (resid 45 and name HA)(resid 46 and name HN) 4.0 2.2 1.0
assign (resid 45 and name HN)(resid 46 and name HN) 4.0 2.2 1.0
assign (resid 45 and name HB#)(resid 46 and name HN) 4.0 2.2 1.0
assign (resid 45 and name HG#)(resid 46 and name HN) 4.0 2.2 1.0
assign (resid 45 and name HG#)(resid 46 and name HG1#) 4.0 2.2 2.0
assign (resid 46 and name HA)(resid 47 and name HN) 2.5 0.7 0.4
assign (resid 46 and name HA)(resid 47 and name HN) 3.0 1.2 0.5
assign (resid 46 and name HB)(resid 47 and name HN) 4.0 2.2 2.0
assign (resid 46 and name HB)(resid 47 and name HN) 4.0 2.2 1.0
assign (resid 46 and name HN)(resid 47 and name HN) 4.0 2.2 1.0
assign (resid 46 and name HG1#)(resid 47 and name HN) 4.0 2.2 1.0
assign (resid 46 and name HG1#)(resid 47 and name HN) 4.0 2.2 2.0
assign (resid 46 and name HG2#)(resid 47 and name HA) 4.0 2.2 2.5
assign (resid 46 and name HG2#)(resid 47 and name HA) 4.0 2.2 2.5
assign (resid 46 and name HG2#)(resid 47 and name HN) 3.0 1.2 1.0
assign (resid 46 and name HG2#)(resid 47 and name HN) 3.0 1.2 0.5
assign (resid 46 and name HG2#)(resid 47 and name HB#) 4.0 2.2 2.5
assign (resid 47 and name HA)(resid 48 and name HN) 3.0 1.2 0.5
assign (resid 47 and name HA)(resid 48 and name HG*) 4.0 2.2 1.5
assign (resid 47 and name HA)(resid 48 and name HG*) 4.0 2.2 2.5
assign (resid 47 and name HB#)(resid 48 and name HN) 4.0 2.2 1.0
assign (resid 48 and name HA)(resid 49 and name HN) 2.5 0.7 0.4
assign (resid 48 and name HA)(resid 49 and name HN) 2.5 0.7 0.4
assign (resid 48 and name HB)(resid 49 and name HN) 4.0 2.2 2.0
assign (resid 48 and name HN)(resid 49 and name HN) 4.0 2.2 1.0
assign (resid 48 and name HG*)(resid 49 and name HB) 4.0 2.2 2.5
assign (resid 48 and name HG*)(resid 49 and name HN) 4.0 2.2 1.5
assign (resid 49 and name HB)(resid 50 and name HN) 3.0 1.2 0.5
assign (resid 49 and name HG2#)(resid 50 and name HN) 3.0 1.2 1.0
assign (resid 50 and name HA)(resid 51 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 50 and name HA)(resid 51 and name HB#) 4.0 2.2 2.0
assign (resid 50 and name HN)(resid 51 and name HN) 4.0 2.2 1.5
assign (resid 50 and name HB#)(resid 51 and name HN) 3.0 1.2 0.5
assign (resid 50 and name HB#)(resid 51 and name HN) 4.0 2.2 1.0
assign (resid 50 and name HD2#)(resid 51 and name HA) 4.0 2.2 1.5
assign (resid 50 and name HD2#)(resid 51 and name HN) 4.0 2.2 1.5
assign (resid 51 and name HA)(resid 52 and name HA) 4.0 2.2 2.0
assign (resid 51 and name HA)(resid 52 and name HA) 4.0 2.2 2.0
assign (resid 51 and name HN)(resid 52 and name HN) 4.0 2.2 1.0
assign (resid 51 and name HB#)(resid 52 and name HA) 4.0 2.2 2.0
assign (resid 51 and name HB#)(resid 52 and name HN) 4.0 2.2 1.0
assign (resid 51 and name HB#)(resid 52 and name HB#) 4.0 2.2 2.5
assign (resid 52 and name HA)(resid 53 and name HB) 4.0 2.2 2.0
assign (resid 52 and name HA)(resid 53 and name HN) 3.0 1.2 0.5
assign (resid 52 and name HA)(resid 53 and name HN) 3.0 1.2 0.5
assign (resid 52 and name HA)(resid 53 and name HG1#) 4.0 2.2 2.0
assign (resid 52 and name HB#)(resid 53 and name HN) 3.0 1.2 1.0
assign (resid 52 and name HB#)(resid 53 and name HN) 3.0 1.2 1.0
assign (resid 53 and name HA)(resid 54 and name HN) 4.0 2.2 1.0
assign (resid 53 and name HB)(resid 54 and name HN) 3.0 1.2 0.5
assign (resid 53 and name HG2#)(resid 54 and name HA) 4.0 2.2 1.5
assign (resid 53 and name HG2#)(resid 54 and name HA) 4.0 2.2 1.5
assign (resid 53 and name HG2#)(resid 54 and name HN) 3.0 1.2 1.0
assign (resid 54 and name HA)(resid 55 and name HN) 3.0 1.2 0.5
assign (resid 54 and name HN)(resid 55 and name HN) 3.0 1.2 0.5
assign (resid 54 and name HB#)(resid 55 and name HA) 4.0 2.2 2.0
assign (resid 54 and name HB#)(resid 55 and name HN) 4.0 2.2 1.0
assign (resid 55 and name HA)(resid 56 and name HN) 3.0 1.2 0.5
assign (resid 55 and name HB#)(resid 56 and name HN) 4.0 2.2 1.5
assign (resid 55 and name HB#)(resid 56 and name HB#) 4.0 2.2 2.0
assign (resid 55 and name HB#)(resid 56 and name HB#) 4.0 2.2 2.0
assign (resid 56 and name HA)(resid 57 and name HD#) 3.0 1.2 0.3
assign (resid 56 and name HA)(resid 57 and name HD#) 4.0 2.2 1.0
assign (resid 56 and name HA)(resid 57 and name HD#) 4.0 2.2 2.0
assign (resid 56 and name HA)(resid 57 and name HG#) 4.0 2.2 2.0
assign (resid 56 and name HA)(resid 57 and name HG#) 4.0 2.2 2.0
assign (resid 56 and name HA)(resid 57 and name HG#) 4.0 2.2 2.0
assign (resid 56 and name HN)(resid 57 and name HD#) 4.0 2.2 2.0
assign (resid 56 and name HN)(resid 57 and name HD#) 4.0 2.2 1.0
assign (resid 56 and name HB#)(resid 57 and name HD#) 4.0 2.2 2.0
assign (resid 56 and name HB#)(resid 57 and name HD#) 4.0 2.2 2.0
assign (resid 56 and name HD#)(resid 57 and name HD#) 4.0 2.2 1.5
assign (resid 56 and name HD#)(resid 57 and name HG#) 4.0 2.2 2.5
assign (resid 56 and name HD2#)(resid 57 and name HD#) 4.0 2.2 1.5
assign (resid 57 and name HA)(resid 58 and name HD#) 3.0 1.2 0.3
assign (resid 57 and name HA)(resid 58 and name HD#) 4.0 2.2 1.0
assign (resid 57 and name HA)(resid 58 and name HG#) 4.0 2.2 2.0
assign (resid 57 and name HB#)(resid 58 and name HD#) 4.0 2.2 1.0
assign (resid 57 and name HB#)(resid 58 and name HD#) 4.0 2.2 1.0
assign (resid 58 and name HA)(resid 59 and name HN) 3.0 1.2 0.5
assign (resid 58 and name HA)(resid 59 and name HN) 4.0 2.2 1.0
assign (resid 58 and name HB#)(resid 59 and name HA) 4.0 2.2 2.0
assign (resid 58 and name HB#)(resid 59 and name HN) 4.0 2.2 2.0
assign (resid 58 and name HD#)(resid 59 and name HN) 3.0 1.2 0.5
assign (resid 58 and name HG#)(resid 59 and name HN) 3.0 1.2 1.0
assign (resid 58 and name HG#)(resid 59 and name HN) 4.0 2.2 1.0
assign (resid 59 and name HA)(resid 60 and name HN) 3.0 1.2 0.5
assign (resid 59 and name HA)(resid 60 and name HN) 4.0 2.2 1.0
assign (resid 59 and name HA)(resid 60 and name HG1#) 4.0 2.2 2.5
assign (resid 59 and name HA)(resid 60 and name HG1#) 4.0 2.2 2.5
assign (resid 59 and name HN)(resid 60 and name HN) 3.0 1.2 0.5
assign (resid 59 and name HN)(resid 60 and name HG1#) 3.0 1.2 1.5
assign (resid 59 and name HN)(resid 60 and name HG1#) 4.0 2.2 1.5
assign (resid 59 and name HB#)(resid 60 and name HN) 4.0 2.2 1.0
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assign (resid 17 and name HN)(resid 60 and name HG2#) 4.0 2.2 1.5
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assign (resid 17 and name HN)(resid 63 and name HA) 3.0 1.2 0.5
assign (resid 17 and name HN)(resid 63 and name HA) 4.0 2.2 1.0
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assign (resid 17 and name HD1#)(resid 49 and name HB) 4.0 2.2 2.5
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assign (resid 17 and name HD1#)(resid 60 and name HG1#) 4.0 2.2 2.0
assign (resid 17 and name HD1#)(resid 60 and name HG2#) 3.0 1.2 1.3
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assign (resid 17 and name HG2#)(resid 51 and name HB#) 4.0 2.2 1.5
assign (resid 17 and name HG2#)(resid 51 and name HB#) 4.0 2.2 1.5
assign (resid 17 and name HG2#)(resid 60 and name HG2#) 3.0 1.2 1.3
assign (resid 17 and name HG2#)(resid 60 and name HG2#) 3.0 1.2 1.3
assign (resid 18 and name HA)(resid 64 and name HB) 4.0 2.2 1.0
assign (resid 18 and name HA)(resid 64 and name HN) 4.0 2.2 1.0
assign (resid 18 and name HA)(resid 64 and name HD1#) 4.0 2.2 2.5
assign (resid 18 and name HA)(resid 64 and name HG2#) 4.0 2.2 2.5
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assign (resid 18 and name HB)(resid 50 and name HA) 4.0 2.2 2.0
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assign (resid 18 and name HB)(resid 51 and name HN) 4.0 2.2 1.0
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assign (resid 18 and name HN)(resid 50 and name HB#) 4.0 2.2 2.0
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assign (resid 18 and name HN)(resid 51 and name HN) 4.0 2.2 1.0
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assign (resid 18 and name HG1#)(resid 31 and name HA) 4.0 2.2 2.5
assign (resid 18 and name HG1#)(resid 31 and name HN) 4.0 2.2 1.5
assign (resid 18 and name HG1#)(resid 31 and name HB#) 4.0 2.2 3.0
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assign (resid 18 and name HG1#)(resid 50 and name HA) 4.0 2.2 2.5
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assign (resid 18 and name HG1#)(resid 64 and name HB) 4.0 2.2 2.5
assign (resid 18 and name HG1#)(resid 64 and name HN) 4.0 2.2 1.5
assign (resid 18 and name HG1#)(resid 64 and name HD1#) 4.0 2.2 3.0
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assign (resid 18 and name HG2#)(resid 31 and name HA) 3.0 1.2 0.8
assign (resid 18 and name HG2#)(resid 31 and name HA) 3.0 1.2 0.8
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assign (resid 18 and name HG2#)(resid 31 and name HB#) 3.0 1.2 1.3
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assign (resid 18 and name HG2#)(resid 34 and name HD1#) 3.0 1.2 1.3
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assign (resid 18 and name HG2#)(resid 50 and name HD2#) 4.0 2.2 2.5
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assign (resid 18 and name HG2#)(resid 64 and name HB) 3.0 1.2 0.8
assign (resid 18 and name HG2#)(resid 64 and name HB) 3.0 1.2 0.8
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assign (resid 18 and name HG2#)(resid 64 and name HN) 4.0 2.2 2.5
assign (resid 18 and name HG2#)(resid 64 and name HD1#) 3.0 1.2 1.3
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assign (resid 19 and name HA)(resid 51 and name HN) 3.0 1.2 0.5
assign (resid 19 and name HA)(resid 52 and name HA) 4.0 2.2 2.0
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assign (resid 19 and name HA)(resid 53 and name HN) 4.0 2.2 2.0
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assign (resid 19 and name HN)(resid 64 and name HB) 4.0 2.2 2.0
assign (resid 19 and name HN)(resid 64 and name HB) 4.0 2.2 1.0
assign (resid 19 and name HN)(resid 64 and name HN) 4.0 2.2 1.0
assign (resid 19 and name HN)(resid 64 and name HG1#) 4.0 2.2 2.0
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assign (resid 19 and name HN)(resid 65 and name HA) 4.0 2.2 1.5
assign (resid 19 and name HN)(resid 65 and name HA) 4.0 2.2 2.0
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assign (resid 19 and name HN)(resid 65 and name HG2#) 4.0 2.2 2.5
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assign (resid 19 and name HB#)(resid 52 and name HA) 4.0 2.2 2.5
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assign (resid 19 and name HB#)(resid 53 and name HA) 4.0 2.2 1.5
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assign (resid 19 and name HB#)(resid 53 and name HB) 4.0 2.2 2.5
assign (resid 19 and name HB#)(resid 53 and name HN) 4.0 2.2 2.5
assign (resid 19 and name HB#)(resid 53 and name HN) 4.0 2.2 1.5
assign (resid 19 and name HB#)(resid 53 and name HD1#) 4.0 2.2 2.0
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assign (resid 19 and name HB#)(resid 56 and name HD2#) 3.0 1.2 1.3
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assign (resid 19 and name HB#)(resid 63 and name HG1#) 3.0 1.2 1.3
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assign (resid 19 and name HB#)(resid 65 and name HB) 4.0 2.2 2.5
assign (resid 19 and name HB#)(resid 65 and name HB) 4.0 2.2 2.5
assign (resid 19 and name HB#)(resid 65 and name HG2#) 3.0 1.2 1.3
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assign (resid 20 and name HA)(resid 53 and name HD1#) 4.0 2.2 1.5
assign (resid 20 and name HA)(resid 53 and name HD1#) 4.0 2.2 2.5
assign (resid 20 and name HA)(resid 53 and name HG1#) 4.0 2.2 2.0
assign (resid 20 and name HA)(resid 53 and name HG1#) 4.0 2.2 2.0
assign (resid 20 and name HA)(resid 53 and name HG1#) 4.0 2.2 2.0
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assign (resid 20 and name HA)(resid 69 and name HD*) 4.0 2.2 2.5
assign (resid 20 and name HN)(resid 51 and name HN) 4.0 2.2 1.0
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assign (resid 20 and name HN)(resid 52 and name HA) 4.0 2.2 1.0
assign (resid 20 and name HN)(resid 52 and name HB#) 4.0 2.2 1.5
assign (resid 20 and name HN)(resid 53 and name HN) 3.0 1.2 0.5
assign (resid 20 and name HN)(resid 53 and name HG1#) 4.0 2.2 1.0
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assign (resid 21 and name HA)(resid 53 and name HB) 4.0 2.2 2.0
assign (resid 21 and name HA)(resid 53 and name HD1#) 4.0 2.2 2.5
assign (resid 21 and name HA)(resid 53 and name HD1#) 4.0 2.2 2.5
assign (resid 21 and name HA)(resid 53 and name HG1#) 4.0 2.2 2.0
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assign (resid 23 and name HA#)(resid 52 and name HN) 4.0 2.2 1.0
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assign (resid 53 and name HG2#)(resid 76 and name HE2#) 4.0 2.2 2.5
assign (resid 53 and name HD1#)(resid 69 and name HG) 4.0 2.2 2.5
assign (resid 53 and name HD1#)(resid 65 and name HG2#) 2.0 2.2 2.5
assign (resid 54 and name HA)(resid 76 and name HE2#) 4.0 2.2 2.0
assign (resid 56 and name HB#)(resid 76 and name HG#) 4.0 2.2 2.0
assign (resid 56 and name HD#)(resid 76 and name HB#) 4.0 2.2 1.5
assign (resid 56 and name HD1#)(resid 73 and name HA) 3.0 1.2 0.8
assign (resid 56 and name HD1#)(resid 73 and name HB#) 4.0 2.2 2.0
assign (resid 58 and name HA)(resid 77 and name HB) 4.0 2.2 2.0
assign (resid 60 and name HG1#)(resid 77 and name HB) 4.0 2.2 1.5
assign (resid 60 and name HG1#)(resid 80 and name HA) 4.0 2.2 1.5
assign (resid 61 and name HA)(resid 80 and name HA) 4.0 2.2 2.0
assign (resid 61 and name HA)(resid 80 and name HB#) 4.0 2.2 1.5
assign (resid 61 and name HA)(resid 80 and name HB#) 4.0 2.2 1.5
assign (resid 61 and name HA)(resid 81 and name HN) 4.0 2.2 1.0
assign (resid 62 and name HA)(resid 80 and name HB#) 4.0 2.2 2.5
assign (resid 62 and name HA)(resid 80 and name HB#) 4.0 2.2 2.5
assign (resid 62 and name HA)(resid 81 and name HN) 3.0 1.2 0.5
assign (resid 62 and name HA)(resid 81 and name HB#) 4.0 2.2 2.0
assign (resid 62 and name HA)(resid 81 and name HB#) 4.0 2.2 2.0
assign (resid 62 and name HB#)(resid 81 and name HN) 4.0 2.2 1.5
assign (resid 62 and name HB#)(resid 81 and name HB#) 4.0 2.2 2.0
assign (resid 62 and name HB#)(resid 101 and name HD2#) 3.0 1.2 0.8
assign (resid 62 and name HB#)(resid 101 and name HD2#) 3.0 1.2 0.8
assign (resid 62 and name HD*)(resid 83 and name HG1#) 4.0 2.2 1.5
assign (resid 62 and name HD2#)(resid 81 and name HA) 4.0 2.2 1.5
assign (resid 62 and name HD2#)(resid 81 and name HB#) 4.0 2.2 1.5
assign (resid 62 and name HD2#)(resid 81 and name HG#) 4.0 2.2 2.5
assign (resid 62 and name HD2#)(resid 83 and name HD1#) 3.0 1.2 1.3
assign (resid 62 and name HD2#)(resid 104 and name HB#) 4.0 2.2 2.0
assign (resid 62 and name hd1#)(resid 101 and name ha) 4.0 2.2 1.5
assign (resid 62 and name hd2#)(resid 101 and name ha) 4.0 2.2 2.0
assign (resid 63 and name HG1#)(resid 73 and name HB#) 3.0 2.2 2.5
assign (resid 63 and name HB)(resid 82 and name HA) 4.0 2.2 1.0
assign (resid 63 and name HB)(resid 82 and name HA) 4.0 2.2 2.0
assign (resid 63 and name HB)(resid 82 and name HB#) 4.0 2.2 2.0
assign (resid 63 and name HB)(resid 82 and name HE1) 4.0 2.2 2.0
assign (resid 63 and name HB)(resid 82 and name HE1) 4.0 2.2 2.0
assign (resid 63 and name HB)(resid 83 and name HN) 4.0 2.2 1.0
assign (resid 63 and name HN)(resid 80 and name HB#) 4.0 2.2 1.5
assign (resid 63 and name HN)(resid 81 and name HN) 4.0 2.2 1.0
assign (resid 63 and name HN)(resid 81 and name HB#) 4.0 2.2 2.0
assign (resid 63 and name HN)(resid 82 and name HA) 3.0 1.2 0.5
assign (resid 63 and name HN)(resid 82 and name HA) 3.0 1.2 0.5
assign (resid 63 and name HG*)(resid 82 and name HE1) 4.0 2.2 1.5
assign (resid 63 and name HG1#)(resid 73 and name HB#) 3.0 1.2 1.3
assign (resid 63 and name HG1#)(resid 73 and name HB#) 4.0 2.2 2.0
assign (resid 63 and name HG1#)(resid 82 and name HE1) 4.0 2.2 2.5
assign (resid 63 and name HG2#)(resid 73 and name HB#) 4.0 2.2 3.0
assign (resid 63 and name HG2#)(resid 77 and name HB) 4.0 2.2 2.5
assign (resid 63 and name HG2#)(resid 80 and name HB#) 3.0 1.2 1.3
assign (resid 63 and name HG2#)(resid 80 and name HB#) 3.0 1.2 1.3
assign (resid 63 and name HG2#)(resid 82 and name HA) 4.0 2.2 1.5
assign (resid 63 and name HG2#)(resid 82 and name HE1) 4.0 2.2 1.5
assign (resid 63 and name HG2#)(resid 82 and name HE1) 4.0 2.2 2.5
assign (resid 64 and name HA)(resid 83 and name HB) 4.0 2.2 1.0
assign (resid 64 and name HA)(resid 83 and name HB) 4.0 2.2 2.0
assign (resid 64 and name HA)(resid 83 and name HN) 4.0 2.2 2.0
assign (resid 64 and name HD1#)(resid 83 and name HB) 4.0 2.2 2.5
assign (resid 64 and name HD1#)(resid 83 and name HN) 4.0 2.2 1.5
assign (resid 64 and name HD1#)(resid 85 and name HD*) 3.0 1.2 1.3
assign (resid 64 and name HD1#)(resid 94 and name HD#) 4.0 2.2 2.5
assign (resid 64 and name HD1#)(resid 94 and name HD#) 4.0 2.2 2.5
assign (resid 64 and name HD1#)(resid 94 and name HE#) 4.0 2.2 1.5
assign (resid 64 and name HD1#)(resid 94 and name HE#) 4.0 2.2 1.5
assign (resid 64 and name HG1#)(resid 83 and name HB) 4.0 2.2 1.0
assign (resid 64 and name HG2#)(resid 85 and name HN) 4.0 2.2 1.5
assign (resid 64 and name HG2#)(resid 85 and name HD*) 4.0 2.2 2.0
assign (resid 64 and name HG2#)(resid 85 and name HD*) 4.0 2.2 2.0
assign (resid 64 and name HG2#)(resid 94 and name HD#) 4.0 2.2 1.5
assign (resid 64 and name HG2#)(resid 94 and name HE#) 4.0 2.2 1.5
assign (resid 64 and name HG2#)(resid 94 and name HE#) 4.0 2.2 1.5
assign (resid 65 and name HA)(resid 85 and name HD*) 4.0 2.2 2.5
assign (resid 65 and name HN)(resid 83 and name HB) 4.0 2.2 1.0
assign (resid 65 and name HN)(resid 83 and name HN) 4.0 2.2 1.0
assign (resid 65 and name HN)(resid 84 and name HA) 3.0 1.2 0.5
assign (resid 65 and name HN)(resid 84 and name HA) 4.0 2.2 1.0
assign (resid 65 and name HN)(resid 84 and name HB#) 4.0 2.2 2.0
assign (resid 65 and name HN)(resid 85 and name HN) 4.0 2.2 1.0
assign (resid 65 and name HN)(resid 85 and name HD*) 4.0 2.2 1.5
assign (resid 65 and name HG2#)(resid 73 and name HB#) 3.0 1.2 1.3
assign (resid 65 and name HG2#)(resid 84 and name HB#) 4.0 2.2 2.5
assign (resid 65 and name HG2#)(resid 85 and name HD*) 4.0 2.2 2.0
assign (resid 66 and name HA)(resid 85 and name HN) 3.0 1.2 0.5
assign (resid 66 and name HA)(resid 85 and name HN) 4.0 2.2 1.0
assign (resid 66 and name HA)(resid 85 and name HD*) 3.0 1.2 0.8
assign (resid 66 and name HN)(resid 85 and name HD*) 4.0 2.2 1.5
assign (resid 66 and name HB#)(resid 85 and name HD*) 4.0 2.2 2.5
assign (resid 66 and name HB#)(resid 85 and name HD*) 4.0 2.2 2.5
assign (resid 66 and name HD#)(resid 85 and name HD*) 4.0 2.2 2.5
assign (resid 66 and name HD#)(resid 85 and name HD*) 4.0 2.2 2.5
assign (resid 66 and name HD#)(resid 86 and name HA) 4.0 2.2 1.0
assign (resid 66 and name HE1)(resid 86 and name HA) 4.0 2.2 2.0
assign (resid 66 and name HE1)(resid 86 and name HG2#) 4.0 2.2 2.5
assign (resid 67 and name HA)(resid 84 and name HA) 4.0 2.2 2.0
assign (resid 67 and name HA)(resid 84 and name HB#) 3.0 1.2 0.3
assign (resid 67 and name HA)(resid 84 and name HB#) 3.0 1.2 0.3
assign (resid 67 and name HA)(resid 85 and name HN) 4.0 2.2 2.0
assign (resid 67 and name HN)(resid 84 and name HA) 4.0 2.2 1.0
assign (resid 67 and name HN)(resid 84 and name HB#) 4.0 2.2 1.0
assign (resid 67 and name HN)(resid 85 and name HN) 3.0 1.2 0.5
assign (resid 67 and name HN)(resid 85 and name HD*) 4.0 2.2 1.5
assign (resid 67 and name HN)(resid 86 and name HA) 4.0 2.2 2.0
assign (resid 67 and name HN)(resid 86 and name HG2#) 4.0 2.2 2.5
assign (resid 67 and name HN)(resid 86 and name HG2#) 4.0 2.2 1.5
assign (resid 67 and name HB#)(resid 84 and name HB#) 4.0 2.2 2.0
assign (resid 67 and name HB#)(resid 84 and name HB#) 4.0 2.2 2.0
assign (resid 67 and name HB#)(resid 85 and name HN) 4.0 2.2 1.0
assign (resid 67 and name HB#)(resid 86 and name HG2#) 3.0 1.2 0.8
assign (resid 67 and name HB#)(resid 86 and name HG2#) 4.0 2.2 1.5
assign (resid 67 and name HD#)(resid 84 and name HB#) 4.0 2.2 2.0
assign (resid 67 and name HD#)(resid 86 and name HA) 4.0 2.2 2.0
assign (resid 67 and name HD#)(resid 86 and name HG2#) 3.0 1.2 0.8
assign (resid 67 and name HG#)(resid 84 and name HB#) 4.0 2.2 2.0
assign (resid 67 and name HG#)(resid 86 and name HG2#) 4.0 2.2 1.5
assign (resid 70 and name HN)(resid 84 and name HB#) 4.0 2.2 1.5
assign (resid 70 and name HG2#)(resid 82 and name HB#) 4.0 2.2 1.5
assign (resid 73 and name HB#)(resid 82 and name HE1) 3.0 1.2 0.8
assign (resid 73 and name HB#)(resid 82 and name HE1) 4.0 2.2 1.5
assign (resid 73 and name HB#)(resid 82 and name HE1) 4.0 2.2 1.5
assign (resid 73 and name HB#)(resid 56 and name HD2#) 4.0 2.2 2.5
assign (resid 74 and name HA)(resid 82 and name HE1) 4.0 2.2 2.0
assign (resid 74 and name HA)(resid 82 and name HE1) 4.0 2.2 2.0
assign (resid 74 and name HN)(resid 82 and name HD2) 4.0 2.2 2.0
assign (resid 74 and name HE#)(resid 82 and name HB#) 4.0 2.2 2.0
assign (resid 74 and name HE#)(resid 82 and name HB#) 4.0 2.2 2.0
assign (resid 74 and name HE#)(resid 82 and name HD2) 4.0 2.2 2.0
assign (resid 74 and name HE#)(resid 82 and name HD2) 4.0 2.2 2.0
assign (resid 74 and name HE#)(resid 82 and name HD2) 4.0 2.2 2.0
assign (resid 74 and name HG#)(resid 82 and name HB#) 4.0 2.2 2.0
assign (resid 74 and name HG#)(resid 82 and name HB#) 4.0 2.2 2.0
assign (resid 74 and name HG#)(resid 82 and name HD2) 4.0 2.2 2.0
assign (resid 74 and name HG#)(resid 82 and name HD2) 4.0 2.2 2.0
assign (resid 74 and name HE1#)(resid 82 and name HD2) 4.0 2.2 2.5
assign (resid 76 and name he2#)(resid 53 and name hg2#) 4.0 2.2 1.5
assign (resid 76 and name he2#)(resid 54 and name ha) 3.0 1.2 0.8
assign (resid 76 and name he2#)(resid 54 and name hd2#) 4.0 2.2 1.0
assign (resid 76 and name he2#)(resid 56 and name hd1#) 3.0 1.2 0.8
assign (resid 83 and name HD1#)(resid 97 and name HA) 4.0 2.2 1.5
assign (resid 83 and name HD1#)(resid 97 and name HA) 4.0 2.2 2.5
assign (resid 83 and name HD1#)(resid 97 and name HD*) 3.0 1.2 1.3
assign (resid 83 and name HD1#)(resid 100 and name HB#) 4.0 2.2 2.5
assign (resid 83 and name HG1#)(resid 101 and name HD1#) 3.0 1.2 0.8
assign (resid 83 and name HB)(resid 64 and name ha) 4.0 2.2 2.5
assign (resid 85 and name HA)(resid 93 and name HD2#) 4.0 2.2 2.5
assign (resid 85 and name HB#)(resid 93 and name HD1#) 4.0 2.2 2.5
assign (resid 85 and name HB#)(resid 93 and name HD2#) 4.0 2.2 2.5
assign (resid 85 and name HD*)(resid 93 and name HN) 4.0 2.2 2.0
assign (resid 85 and name HD*)(resid 93 and name HD2#) 4.0 2.2 3.0
assign (resid 85 and name HD*)(resid 94 and name HB#) 4.0 2.2 2.5
assign (resid 85 and name HD*)(resid 94 and name HD#) 4.0 2.2 2.5
assign (resid 85 and name HD*)(resid 94 and name HE#) 4.0 2.2 1.5
assign (resid 87 and name HA)(resid 93 and name HD1#) 4.0 2.2 2.5


!ambiguous noes

assign (resid  88 and name   HA ) 
      ((resid  90 and name   HN )  or (resid  66 and name HD2 )) 4.0  2.2  2.5         
assign (resid 88 and name HA)
       ((resid 34 and name HD2#) or (resid 85 and name HD#))  4.0  2.2  2.5 
assign (resid 26 and (name hb or name ha))
       ((resid 88 and name HB#) or (resid 27 and name HB#)) 4.0 2.2 2.5 
assign (resid 83 and name    HB  )
       ((resid 82 and name HA ) or (resid 64 and name HA)) 4.0  2.2  2.5   
assign (resid 56 and name HA)
        ((resid 56 and name HN) or (resid 55 and name HN)) 4.0 2.2 2.5 
assign (resid 38 and name HG1#)
       ((resid 35 and name HA) or (resid 98 and name HA)) 4.0 2.2 2.5 
assign (resid 94 and name HD#)
       ((resid 85 and name HD2#) or (resid 34 and name HD2#)) 4.0 2.2 2.5 
assign (resid 94 and name HE#)
       ((resid 64 and name HD1#) or (resid 93 and name HD2#)) 4.0 2.2 2.5 
assign (resid 31 and name HB#)
       ((resid 34 and name HD1#) or (resid 48 and name HG#)) 4.0 2.2 2.5 
assign (resid 46 and name HG1#)
       ((resid 46 and name HA) or (resid 14 and name HA)) 4.0 2.2 2.5 
assign (resid 48 and name HA)
       ((resid 16 and name HB) or (resid 46 and name HB)) 4.0 2.2 2.5 
assign (resid 14 and name HN)
       ((resid 15 and name HA) or (resid 61 and name HA)) 4.0 2.2 2.5 
assign (resid 15 and name HB#)
       ((resid 16 and name HG1#) or (resid 46 and name HD1#)) 4.0 2.2 2.5 
assign (resid 15 and name HE#)
       ((resid 17 and name HD1#) or (resid 16 and name HG2#)) 4.0 2.2 2.5 
assign (resid 16 and name HN)
       ((resid 15 and name HA) or (resid 61 and name HA)) 4.0 2.2 2.5 
assign (resid 16 and name HG1#)
       ((resid 46 and name HG2#) or (resid 16 and name HG2#)) 4.0 2.2 2.5 
assign (resid 19 and name HB#)
        ((resid 18 and name HA) or (resid 20 and name HA)) 4.0 2.2 2.5 
assign (resid 65 and name HG2#)
       ((resid 66 and name HN) or (resid 69 and name HN)) 4.0 2.2 2.5 
assign (resid 64 and name HA)
       ((resid 83 and name HB) or (resid 62 and name HB#)) 4.0 2.2 2.5 
assign (resid 84 and name HB#)
       ((resid 70 and name HG2#) or (resid 83 and name HG1#))  4.0 2.2 2.5 
assign (resid 84 and name HA)
       ((resid 66 and name HA) or (resid 83 and name HA)) 4.0 2.2 2.5 
assign (resid 98 and name HG2#)
       ((resid 95 and name HA) or (resid 99 and name HA)) 4.0 2.2 2.5 
assign (resid 86 and name HA)
       ((resid 66 and name HD#) or (resid 90 and name HN)) 4.0 2.2 2.5 
assign (resid 61 and name HB#)
       ((resid 46 and name HD1#) or (resid 60 and name HG2#)) 4.0 2.2 2.5 
assign (resid 14 and name HN)
       ((resid 15 and name HA) or (resid 61 and name HA)) 4.0 2.2 2.5 
assign (resid 63 and name HG2#)
       ((resid 65 and name HA) or (resid 62 and name HA)) 4.0 2.2 2.5 
assign (resid 63 and name HA)
       ((resid 17 and name HB) or (resid 64 and name HG1#)) 4.0 2.2 2.5 
assign (resid 60 and name HB)
       ((resid 63 and name HG2#) or (resid 17 and name HD1#))  4.0 2.2 2.5 
assign (resid 84 and name HB#)
       ((resid 88 and name HA) or (resid 67 and name HA)) 4.0 2.2 2.5 
assign (resid 63 and name HG1#)
      ((resid 65 and name HG2#) or (resid 62 and name HB#))   4.0 2.2 2.5 
assign (resid 28 and name HA)
       ((resid 50 and name HB#) or (resid 29 and name HB#)) 4.0 2.2 2.5 
assign (resid 80 and name HB#)
       ((resid 77 and name HB) or (resid 79 and name HB#)) 4.0 2.2 2.5 
assign (resid 63 and name HG1#)
       ((resid 82 and name HA) or (resid 64 and name HA))  4.0 2.2 2.5 
assign (resid 48 and name HA)
       ((resid 46 and name HG1#) or (resid 38 and name HG1#)) 4.0 2.2 2.5 
assign ((resid 34 and name HD1#) or (resid 48 and name HG#))
       (resid 35 and name HA) 4.0 2.2 2.5 
assign (resid 98 and name HA)
       ((resid 95 and name HA) or (resid 98 and name HA)) 4.0 2.2 2.5 
assign (resid 57 and name HD#)
       ((resid 51 and name HB#) or (resid 58 and name HD#)) 4.0 2.2 2.5 
assign (resid 70 and name HA)
       ((resid 66 and name HN) or (resid 71 and name HN)) 4.0 2.2 2.5 
assign (resid 88 and name HA)
       ((resid 64 and name HG2#) or (resid 89 and name HD2#)) 4.0 2.2 2.5 
assign (resid 66 and name HE1)
       ((resid 86 and name HG2#) or (resid 69 and name HD2#)) 4.0 2.2 2.5 
assign (resid 16 and name HB)
      ((resid 17 and name HN) or (resid 47 and name HN)) 4.0 2.2 2.5 
assign (resid 60 and name HA)
       ((resid 62 and name HN) or (resid 81 and name HN)) 4.0 2.2 2.5 
assign (resid 62 and name HD#)
       ((resid 62 and name HA) or (resid 82 and name HA)) 4.0 2.2 2.5 
assign (resid 14 and name HN)
       ((resid 15 and name HN) or (resid 16 and name HN)) 4.0  2.2  2.0  
assign (resid 34 and name HN)
       ((resid 30 and name HA#) or (resid 32 and name HA#)) 4.0 2.2 2.0 
assign (resid 30 and name HN)
       ((resid 18 and name HG1#) or (resid 33 and name HG2#)) 4.0 2.2 2.0 
assign (resid 35 and name HN)
       ((resid 38 and name HN) or (resid 39 and name HN)) 4.0 2.2 2.0 
assign (resid 51 and name HN)
       ((resid 17 and name HA) or (resid 52 and name HA)) 4.0 2.2 2.0 
assign (resid 85 and name HN)
       ((resid 83 and name HG2#) or (resid 64 and name HG2#)) 4.0 2.2 2.0 
assign (resid 35 and name HN)
       ((resid 38 and name HD1#) or (resid 34 and name HB#)) 4.0 2.2 2.0 



2. Backbone H-bond restraints


assign (resid 14 and name O )(resid 47 and name HN  ) 2.0 0.5 0.3 
assign (resid 14 and name O )(resid 47 and name N  ) 3.0 0.5 0.3
assign (resid 47 and name O )(resid 16 and name HN  ) 2.0 0.5 0.3 
assign (resid 47 and name O )(resid 16 and name N  ) 3.0 0.5 0.3
assign (resid 16 and name O )(resid 49 and name HN  ) 2.0 0.5 0.3 
assign (resid 16 and name O )(resid 49 and name N  ) 3.0 0.5 0.3
assign (resid 49 and name O )(resid 18 and name HN  ) 2.0 0.5 0.3 
assign (resid 49 and name O )(resid 18 and name N  ) 3.0 0.5 0.3
assign (resid 18 and name O )(resid 51 and name HN  ) 2.0 0.5 0.3 
assign (resid 18 and name O )(resid 51 and name N  ) 3.0 0.5 0.3


assign (resid 20 and name o) (resid 53 and name n) 3.0 0.5 0.5
assign (resid 20 and name o) (resid 53 and name hn) 2.0 0.5 0.5

assign (resid 43 and name O )(resid 46 and name HN  ) 2.0 0.5 0.3
assign (resid 43 and name O )(resid 46 and name N  ) 3.0 0.5 0.3

assign (resid 52 and name O )(resid 55 and name HN  ) 2.0 0.5 0.3
assign (resid 52 and name O )(resid 55 and name N  ) 3.0 0.5 0.3

assign (resid 57 and name O )(resid 60 and name HN  ) 2.0 0.5 0.3
assign (resid 57 and name O )(resid 60 and name N  ) 3.0 0.5 0.3

assign (resid 66 and name O )(resid 70 and name HN  ) 2.0 0.5 0.3
assign (resid 66 and name O )(resid 70 and name N  ) 3.0 0.5 0.3

assign (resid 77 and name O )(resid 80 and name HN  ) 2.0 0.5 0.3
assign (resid 77 and name O )(resid 80 and name N  ) 3.0 0.5 0.3


assign (resid 15 and name O )(resid 62 and name HN  ) 2.0 0.5 0.8
assign (resid 15 and name O )(resid 62 and name N  ) 3.0 0.5 0.8

assign (resid 62 and name O )(resid 17 and name HN  ) 2.0 0.5 0.3 
assign (resid 62 and name O )(resid 17 and name N  ) 3.0 0.5 0.3
assign (resid 17 and name O )(resid 64 and name HN  ) 2.0 0.5 0.3 
assign (resid 17 and name O )(resid 64 and name N  ) 3.0 0.5 0.3
assign (resid 64 and name O )(resid 19 and name HN  ) 2.0 0.5 0.3 
assign (resid 64 and name O )(resid 19 and name N  ) 3.0 0.5 0.3


assign (resid 61 and name O )(resid 81 and name HN  ) 2.0 0.5 0.3 
assign (resid 61 and name O )(resid 81 and name N  ) 3.0 0.5 0.3
assign (resid 81 and name O )(resid 63 and name HN  ) 2.0 0.5 0.5 
assign (resid 81 and name O )(resid 63 and name N  ) 3.0 0.5 0.5
assign (resid 63 and name O )(resid 83 and name HN  ) 2.0 0.5 0.3 
assign (resid 63 and name O )(resid 83 and name N  ) 3.0 0.5 0.3
assign (resid 83 and name O )(resid 65 and name HN  ) 2.0 0.5 0.3 
assign (resid 83 and name O )(resid 65 and name N  ) 3.0 0.5 0.3
assign (resid 65 and name O )(resid 85 and name HN  ) 2.0 0.5 0.5 
assign (resid 65 and name O )(resid 85 and name N  ) 3.0 0.5 0.5
assign (resid 85 and name O )(resid 67 and name HN  ) 2.0 0.5 0.3
assign (resid 85 and name O )(resid 67 and name N  ) 3.0 0.5 0.3





!helices

!helix 1

assign (resid 27 and name O )(resid 31 and name HN  ) 2.0 0.5 0.3
assign (resid 27 and name O )(resid 31 and name N  ) 3.0 0.5 0.3
assign (resid 28 and name O )(resid 32 and name HN  ) 2.0 0.5 0.5
assign (resid 28 and name O )(resid 32 and name N  ) 3.0 0.5 0.5
assign (resid 29 and name O )(resid 33 and name HN  ) 2.0 0.5 0.3 
assign (resid 29 and name O )(resid 33 and name N  ) 3.0 0.5 0.3
assign (resid 30 and name O )(resid 34 and name HN  ) 2.0 0.5 0.3 
assign (resid 30 and name O )(resid 34 and name N  ) 3.0 0.5 0.3
assign (resid 31 and name O )(resid 35 and name HN  ) 2.0 0.5 0.3 
assign (resid 31 and name O )(resid 35 and name N  ) 3.0 0.5 0.3
assign (resid 32 and name O )(resid 36 and name HN  ) 2.0 0.5 0.3 
assign (resid 32 and name O )(resid 36 and name N  ) 3.0 0.5 0.3
assign (resid 33 and name O )(resid 37 and name HN  ) 2.0 0.5 0.3 
assign (resid 33 and name O )(resid 37 and name N  ) 3.0 0.5 0.3
assign (resid 34 and name O )(resid 38 and name HN  ) 2.0 0.5 0.3 
assign (resid 34 and name O )(resid 38 and name N  ) 3.0 0.5 0.3
assign (resid 35 and name O )(resid 39 and name HN  ) 2.0 0.5 0.3 
assign (resid 35 and name O )(resid 39 and name N  ) 3.0 0.5 0.3
assign (resid 36 and name O )(resid 40 and name HN  ) 2.0 0.5 0.3 
assign (resid 36 and name O )(resid 40 and name N  ) 3.0 0.5 0.3
assign (resid 37 and name O )(resid 41 and name HN  ) 2.0 0.5 0.3 
assign (resid 37 and name O )(resid 41 and name N  ) 3.0 0.5 0.3

assign (resid 38 and name O )(resid 43 and name HN  ) 2.0 0.5 0.3
assign (resid 38 and name O )(resid 43 and name N  ) 3.0 0.5 0.3

assign (resid 39 and name O )(resid 42 and name HN  ) 2.0 0.5 0.3
assign (resid 39 and name O )(resid 42 and name N  ) 3.0 0.5 0.3

!helix 2
assign (resid 69 and name O )(resid 73 and name HN  ) 2.0 0.5 0.3 
assign (resid 69 and name O )(resid 73 and name N  ) 3.0 0.5 0.3
assign (resid 70 and name O )(resid 74 and name HN  ) 2.0 0.5 0.3 
assign (resid 70 and name O )(resid 74 and name N  ) 3.0 0.5 0.3
assign (resid 71 and name O )(resid 75 and name HN  ) 2.0 0.5 0.3 
assign (resid 71 and name O )(resid 75 and name N  ) 3.0 0.5 0.3
assign (resid 72 and name O )(resid 76 and name HN  ) 2.0 0.5 0.3 
assign (resid 72 and name O )(resid 76 and name N  ) 3.0 0.5 0.3
assign (resid 73 and name O )(resid 77 and name HN  ) 2.0 0.5 0.3 
assign (resid 73 and name O )(resid 77 and name N  ) 3.0 0.5 0.3

!helix 3

assign (resid 87 and name O )(resid 90 and name HN  ) 2.0 0.5 0.3
assign (resid 87 and name O )(resid 90 and name N  ) 3.0 0.5 0.3
assign (resid 89 and name O )(resid 91 and name HN  ) 2.0 0.5 0.3
assign (resid 89 and name O )(resid 91 and name N  ) 3.0 0.5 0.3


assign (resid 90 and name O )(resid 94 and name HN  ) 2.0 0.5 0.3 
assign (resid 90 and name O )(resid 94 and name N  ) 3.0 0.5 0.3
assign (resid 91 and name O )(resid 95 and name HN  ) 2.0 0.5 0.3 
assign (resid 91 and name O )(resid 95 and name N  ) 3.0 0.5 0.3
assign (resid 92 and name O )(resid 96 and name HN  ) 2.0 0.5 0.3 
assign (resid 92 and name O )(resid 96 and name N  ) 3.0 0.5 0.3
assign (resid 93 and name O )(resid 97 and name HN  ) 2.0 0.5 0.3 
assign (resid 93 and name O )(resid 97 and name N  ) 3.0 0.5 0.3
assign (resid 94 and name O )(resid 98 and name HN  ) 2.0 0.5 0.3 
assign (resid 94 and name O )(resid 98 and name N  ) 3.0 0.5 0.3
assign (resid 95 and name O )(resid 99 and name HN  ) 2.0 0.5 0.3 
assign (resid 95 and name O )(resid 99 and name N  ) 3.0 0.5 0.3
assign (resid 96 and name O )(resid 100 and name HN  ) 2.0 0.5 0.3 
assign (resid 96 and name O )(resid 100 and name N  ) 3.0 0.5 0.3
assign (resid 97 and name O )(resid 101 and name HN  ) 2.0 0.5 0.3 
assign (resid 97 and name O )(resid 101 and name N  ) 3.0 0.5 0.3
assign (resid 98 and name O )(resid 102 and name HN  ) 2.0 0.5 0.3 
assign (resid 98 and name O )(resid 102 and name N  ) 3.0 0.5 0.3
assign (resid 99 and name O )(resid 103 and name HN  ) 2.0 0.5 0.3 
assign (resid 99 and name O )(resid 103 and name N  ) 3.0 0.5 0.3
assign (resid 100 and name O )(resid 104 and name HN  ) 2.0 0.5 0.3 
assign (resid 100 and name O )(resid 104 and name N  ) 3.0 0.5 0.3
assign (resid 101 and name O )(resid 105 and name HN  ) 2.0 0.5 0.3 
assign (resid 101 and name O )(resid 105 and name N  ) 3.0 0.5 0.3
assign (resid 102 and name O )(resid 106 and name HN  ) 2.0 0.5 0.3 
assign (resid 102 and name O )(resid 106 and name N  ) 3.0 0.5 0.3
assign (resid 103 and name O )(resid 107 and name HN  ) 2.0 0.5 0.3 
assign (resid 103 and name O )(resid 107 and name N  ) 3.0 0.5 0.3



3. Torsion angle restraints


!Phi/psi

! S11 Dihedrals
assign (resid  11 and name n)  (resid  11 and name ca)
       (resid  11 and name c) (resid  12 and name n)  1.0  50.0   105.0 2      ! S11 

! H12 Dihedrals
assign (resid  11 and name c)  (resid  12 and name n)
       (resid  12 and name ca) (resid  12 and name c)  1.0  -80.0  30.0 2      ! H12 
assign (resid  12 and name n)  (resid  12 and name ca)
       (resid  12 and name c) (resid  13 and name n)  1.0  150.0  30.0 2      ! H12 

! V13 Dihedrals
assign (resid  12 and name c)  (resid  13 and name n)
       (resid  13 and name ca) (resid  13 and name c)  1.0  -90.0  30.0 2      ! V13 
assign (resid  13 and name n)  (resid  13 and name ca)
       (resid  13 and name c) (resid  14 and name n)  1.0   130.0  30.0 2      ! V13 


! K15 Dihedrals
assign (resid  14 and name c)  (resid  15 and name n)
       (resid  15 and name ca) (resid  15 and name c)  1.0 -120.0  40.0 2      ! K15 
assign (resid  15 and name n)  (resid  15 and name ca)
       (resid  15 and name c) (resid  16 and name n)  1.0  130.0  30.0 2      ! K15 

! I16 Dihedrals
assign (resid  15 and name c)  (resid  16 and name n)
       (resid  16 and name ca) (resid  16 and name c)  1.0 -130.0  30.0 2      ! I16 
assign (resid  16 and name n)  (resid  16 and name ca)
       (resid  16 and name c) (resid  17 and name n)  1.0  130.0   30.0 2      ! I16 

! I17 Dihedrals
assign (resid  16 and name c)  (resid  17 and name n)
       (resid  17 and name ca) (resid  17 and name c)  1.0 -125.0 20.0 2      ! I17 
assign (resid  17 and name n)  (resid  17 and name ca)
       (resid  17 and name c) (resid  18 and name n)  1.0  130.0  30.0 2      ! I17 

! V18 Dihedrals
assign (resid  17 and name c)  (resid  18 and name n)
       (resid  18 and name ca) (resid  18 and name c)  1.0 -100.0 20.0 2      ! V18 
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   30.0 2      ! V18 

! A19 Dihedrals
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  30.0 2      ! A19 
assign (resid  19 and name n)  (resid  19 and name ca)
       (resid  19 and name c) (resid  20 and name n)  1.0  140.0   30.0 2      ! A19 

! C20 Dihedrals
assign (resid  19 and name c)  (resid  20 and name n)
       (resid  20 and name ca) (resid  20 and name c)  1.0  -145.0  15.0 2      ! C20 
assign (resid  20 and name n)  (resid  20 and name ca)
       (resid  20 and name c) (resid  21 and name n)  1.0  160.0  40.0 2      ! C20 

! D21 Dihedrals
assign (resid  20 and name c)  (resid  21 and name n)
       (resid  21 and name ca) (resid  21 and name c)  1.0  -60.0  20.0 2      ! D21 
assign (resid  21 and name n)  (resid  21 and name ca)
       (resid  21 and name c) (resid  22 and name n)  1.0  -40.0   30.0 2      ! D21 

! A22 Dihedrals
assign (resid  21 and name c)  (resid  22 and name n)
       (resid  22 and name ca) (resid  22 and name c)  1.0  -100.0  20.0 2      ! A22 
assign (resid  22 and name n)  (resid  22 and name ca)
       (resid  22 and name c) (resid  23 and name n)  1.0   -20.0  30.0 2      ! A22 

! G23 Dihedrals
assign (resid  22 and name c)  (resid  23 and name n)
       (resid  23 and name ca) (resid  23 and name c)  1.0  65.0  40.0 2      ! G23 
assign (resid  23 and name n)  (resid  23 and name ca)
       (resid  23 and name c) (resid  24 and name n)  1.0  30.0  50.0 2      ! G23 


! G25 Dihedrals
assign (resid  24 and name c)  (resid  25 and name n)
       (resid  25 and name ca) (resid  25 and name c)  1.0 -90.0 80.0 2 


! S26 Dihedrals
assign (resid  25 and name c)  (resid  26 and name n)
       (resid  26 and name ca) (resid  26 and name c)  1.0  -70.0  25.0 2   
assign (resid  26 and name n)  (resid  26 and name ca)
       (resid  26 and name c) (resid  27 and name n)  1.0  -20.0 45.0 2 


! S27 Dihedrals
assign (resid  26 and name c)  (resid  27 and name n)
       (resid  27 and name ca) (resid  27 and name c)  1.0  -60.0  20.0 2      ! S27 
assign (resid  27 and name n)  (resid  27 and name ca)
       (resid  27 and name c) (resid  28 and name n)  1.0  -40.0  20.0 2      ! S27 

! A28 Dihedrals
assign (resid  27 and name c)  (resid  28 and name n)
       (resid  28 and name ca) (resid  28 and name c)  1.0  -60.0  20.0 2      ! A28 
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   20.0 2      ! A28 

! M29 Dihedrals
assign (resid  28 and name c)  (resid  29 and name n)
       (resid  29 and name ca) (resid  29 and name c)  1.0  -60.0   20.0 2      ! M29 
assign (resid  29 and name n)  (resid  29 and name ca)
       (resid  29 and name c) (resid  30 and name n)  1.0  -40.0   20.0 2      ! M29 

! G30 Dihedrals
assign (resid  29 and name c)  (resid  30 and name n)
       (resid  30 and name ca) (resid  30 and name c)  1.0  -65.0  20.0 2      ! G30 
assign (resid  30 and name n)  (resid  30 and name ca)
       (resid  30 and name c) (resid  31 and name n)  1.0  -40.0   20.0 2      ! G30 

! A31 Dihedrals
assign (resid  30 and name c)  (resid  31 and name n)
       (resid  31 and name ca) (resid  31 and name c)  1.0  -65.0   20.0 2      ! A31 
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   20.0 2      ! A31 

! G32 Dihedrals
assign (resid  31 and name c)  (resid  32 and name n)
       (resid  32 and name ca) (resid  32 and name c)  1.0  -60.0   20.0 2      ! G32 
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   20.0 2      ! G32 


! V33 Dihedrals
assign (resid  32 and name c)  (resid  33 and name n)
       (resid  33 and name ca) (resid  33 and name c)  1.0  -65.0  20.0 2      ! V33 
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   20.0 2      ! V33 

! L34 Dihedrals
assign (resid  33 and name c)  (resid  34 and name n)
       (resid  34 and name ca) (resid  34 and name c)  1.0  -60.0  20.0 2      ! L34 
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   20.0 2      ! L34 

! R35 Dihedrals
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  20.0 2      ! R35 
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   20.0 2      ! R35 

! K36 Dihedrals
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  20.0 2      ! K36 
assign (resid  36 and name n)  (resid  36 and name ca)
       (resid  36 and name c) (resid  37 and name n)  1.0  -40.5  20.0 2      ! K36 

! K37 Dihedrals
assign (resid  36 and name c)  (resid  37 and name n)
       (resid  37 and name ca) (resid  37 and name c)  1.0  -65.0  20.0 2      ! K37 
assign (resid  37 and name n)  (resid  37 and name ca)
       (resid  37 and name c) (resid  38 and name n)  1.0  -40.0   20.0 2      ! K37 

! I38 Dihedrals
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  20.0 2      ! I38 
assign (resid  38 and name n)  (resid  38 and name ca)
       (resid  38 and name c) (resid  39 and name n)  1.0  -40.0   20.0 2      ! I38 

! Q39 Dihedrals
assign (resid  38 and name c)  (resid  39 and name n)
       (resid  39 and name ca) (resid  39 and name c)  1.0  -60.0  20.0 2      ! Q39 
assign (resid  39 and name n)  (resid  39 and name ca)
       (resid  39 and name c) (resid  40 and name n)  1.0  -40.0   20.0 2      ! Q39 

! D40 Dihedrals
assign (resid  39 and name c)  (resid  40 and name n)
       (resid  40 and name ca) (resid  40 and name c)  1.0  -65.0  20.0 2      ! D40 
assign (resid  40 and name n)  (resid  40 and name ca)
       (resid  40 and name c) (resid  41 and name n)  1.0  -40.0  20.0 2      ! D40 

! A41 Dihedrals
assign (resid  40 and name c)  (resid  41 and name n)
       (resid  41 and name ca) (resid  41 and name c)  1.0  -70.0  30.0 2      ! A41 
assign (resid  41 and name n)  (resid  41 and name ca)
       (resid  41 and name c) (resid  42 and name n)  1.0   -15.0  30.0 2      ! A41 

! G42 Dihedrals
assign (resid  41 and name c)  (resid  42 and name n)
       (resid  42 and name ca) (resid  42 and name c)  1.0   60.0  30.0 2     ! G42 
assign (resid  42 and name n)  (resid  42 and name ca)
       (resid  42 and name c) (resid  43 and name n)  1.0   30.0  30.0 2      ! G42 



! L43 Dihedrals
assign (resid  42 and name c)  (resid  43 and name n)
       (resid  43 and name ca) (resid  43 and name c)  1.0  -90.0  30.0 2      ! L43 
!assign (resid  43 and name n)  (resid  43 and name ca)
!       (resid  43 and name c) (resid  44 and name n)  1.0  120.0  35.0 2      ! L43 

! S44 Dihedrals
assign (resid  43 and name c)  (resid  44 and name n)
       (resid  44 and name ca) (resid  44 and name c)  1.0  -65.0  20.0 2      ! S44 
assign (resid  44 and name n)  (resid  44 and name ca)
       (resid  44 and name c) (resid  45 and name n)  1.0  -20.0  40.0 2      ! S44 

! Q45 Dihedrals
assign (resid  44 and name c)  (resid  45 and name n)
       (resid  45 and name ca) (resid  45 and name c)  1.0  -85.0  35.0 2      ! Q45 
assign (resid  45 and name n)  (resid  45 and name ca)
        (resid  45 and name c) (resid  46 and name n)  1.0   0.0  30.0 2      ! Q45 

! I46 Dihedrals
assign (resid  45 and name c)  (resid  46 and name n)
       (resid  46 and name ca) (resid  46 and name c)  1.0 -120.0  45.0 2      ! I46 
assign (resid  46 and name n)  (resid  46 and name ca)
       (resid  46 and name c) (resid  47 and name n)  1.0  120.0 30.0 2      ! I46 

! S47 Dihedrals
assign (resid  46 and name c)  (resid  47 and name n)
       (resid  47 and name ca) (resid  47 and name c)  1.0 -105.0  45.0 2      ! S47 
assign (resid  47 and name n)  (resid  47 and name ca)
       (resid  47 and name c) (resid  48 and name n)  1.0  130.0   30.0 2      ! S47 

! V48 Dihedrals
assign (resid  47 and name c)  (resid  48 and name n)
       (resid  48 and name ca) (resid  48 and name c)  1.0 -120.0  30.0 2      ! V48 
assign (resid  48 and name n)  (resid  48 and name ca)
       (resid  48 and name c) (resid  49 and name n)  1.0  130.0   30.0 2      ! V48 

! T49 Dihedrals
assign (resid  48 and name c)  (resid  49 and name n)
       (resid  49 and name ca) (resid  49 and name c)  1.0 -135.0  25.0 2      ! T49 
assign (resid  49 and name n)  (resid  49 and name ca)
       (resid  49 and name c) (resid  50 and name n)  1.0   150.0  30.0 2      ! T49 

! N50 Dihedrals
assign (resid  49 and name c)  (resid  50 and name n)
       (resid  50 and name ca) (resid  50 and name c)  1.0 -130.0  25.0 2      ! N50 
assign (resid  50 and name n)  (resid  50 and name ca)
       (resid  50 and name c) (resid  51 and name n)  1.0   150.0  30.0 2      ! N50 

! S51 Dihedrals
assign (resid  50 and name c)  (resid  51 and name n)
       (resid  51 and name ca) (resid  51 and name c)  1.0 -140.0  25.0 2      ! S51 
assign (resid  51 and name n)  (resid  51 and name ca)
       (resid  51 and name c) (resid  52 and name n)  1.0  150.0  30.0 2      ! S51 

! A52 Dihedrals
assign (resid  51 and name c)  (resid  52 and name n)
       (resid  52 and name ca) (resid  52 and name c)  1.0 -110.0  45.0 2      ! A52 
assign (resid  52 and name n)  (resid  52 and name ca)
       (resid  52 and name c) (resid  53 and name n)  1.0  130.0  30.0 2      ! A52 

! I53 Dihedrals
assign (resid  52 and name c)  (resid  53 and name n)
       (resid  53 and name ca) (resid  53 and name c)  1.0  -60.0  25.0 2      ! I53 
assign (resid  53 and name n)  (resid  53 and name ca)
       (resid  53 and name c) (resid  54 and name n)  1.0  -35.0 30.0 2      ! I53 

! N54 Dihedrals
assign (resid  53 and name c)  (resid  54 and name n)
       (resid  54 and name ca) (resid  54 and name c)  1.0  -60.0  20.0 2      ! N54 
assign (resid  54 and name n)  (resid  54 and name ca)
       (resid  54 and name c) (resid  55 and name n)  1.0  -40.0  20.0 2      ! N54 

! N55 Dihedrals
assign (resid  54 and name c)  (resid  55 and name n)
       (resid  55 and name ca) (resid  55 and name c)  1.0 -100.0  20.0 2      ! N55 
assign (resid  55 and name n)  (resid  55 and name ca)
       (resid  55 and name c) (resid  56 and name n)  1.0   115.0 30.0 2      ! N55 

! L56 Dihedrals
assign (resid  55 and name c)  (resid  56 and name n)
       (resid  56 and name ca) (resid  56 and name c)  1.0  -105.0  35.0 2      ! L56 
assign (resid  56 and name n)  (resid  56 and name ca)
       (resid  56 and name c) (resid  57 and name n)  1.0  110.0  20.0 2      ! L56 

! P57 Dihedrals

assign (resid  56 and name c)  (resid  57 and name n)
       (resid  57 and name ca) (resid  57 and name c)  1.0  -75.0  25.0 2      ! P58 
assign (resid  57 and name n)  (resid  57 and name ca)
       (resid  57 and name c) (resid  58 and name n)  1.0  150.0  20.0 2      ! P58 

! P58 Dihedrals
assign (resid  57 and name c)  (resid  58 and name n)
       (resid  58 and name ca) (resid  58 and name c)  1.0  -70.0  20.0 2      ! P58 
assign (resid  58 and name n)  (resid  58 and name ca)
       (resid  58 and name c) (resid  59 and name n)  1.0  -25.0  30.0 2      ! P58 

! D59 Dihedrals
assign (resid  58 and name c)  (resid  59 and name n)
       (resid  59 and name ca) (resid  59 and name c)  1.0  -75.0  25.0 2      ! D59 
assign (resid  59 and name n)  (resid  59 and name ca)
       (resid  59 and name c) (resid  60 and name n)  1.0   -10.0  30.0 2      ! D59 

! V60 Dihedrals
assign (resid  59 and name c)  (resid  60 and name n)
       (resid  60 and name ca) (resid  60 and name c)  1.0  -70.0  30.0 2      ! V60 
assign (resid  60 and name n)  (resid  60 and name ca)
       (resid  60 and name c) (resid  61 and name n)  1.0  150.0  30.0 2      ! V60 


! D61 Dihedrals
assign (resid  60 and name c)  (resid  61 and name n)
       (resid  61 and name ca) (resid  61 and name c)  1.0 -100.0  20.0 2      ! D61 
assign (resid  61 and name n)  (resid  61 and name ca)
       (resid  61 and name c) (resid  62 and name n)  1.0  -10.0  30.0 2      ! D61 

! L62 Dihedrals
assign (resid  61 and name c)  (resid  62 and name n)
       (resid  62 and name ca) (resid  62 and name c)  1.0 -135.0  25.0 2      ! L62 
assign (resid  62 and name n)  (resid  62 and name ca)
       (resid  62 and name c) (resid  63 and name n)  1.0  130.0   30.0 2      ! L62 

! V63 Dihedrals
assign (resid  62 and name c)  (resid  63 and name n)
       (resid  63 and name ca) (resid  63 and name c)  1.0 -115.0  20.0 2      ! V63 
assign (resid  63 and name n)  (resid  63 and name ca)
       (resid  63 and name c) (resid  64 and name n)  1.0  125.0   30.0 2      ! V63 

! I64 Dihedrals
assign (resid  63 and name c)  (resid  64 and name n)
       (resid  64 and name ca) (resid  64 and name c)  1.0 -115.0  20.0 2      ! I64 
assign (resid  64 and name n)  (resid  64 and name ca)
       (resid  64 and name c) (resid  65 and name n)  1.0  130.0   30.0 2      ! I64 

! T65 Dihedrals
assign (resid  64 and name c)  (resid  65 and name n)
       (resid  65 and name ca) (resid  65 and name c)  1.0 -115.0  40.0 2      ! T65 
assign (resid  65 and name n)  (resid  65 and name ca)
       (resid  65 and name c) (resid  66 and name n)  1.0  150.0   30.0 2      ! T65 

! H66 Dihedrals
assign (resid  65 and name c)  (resid  66 and name n)
       (resid  66 and name ca) (resid  66 and name c)  1.0  -100.0  55.0 2      ! H66 
assign (resid  66 and name n)  (resid  66 and name ca)
       (resid  66 and name c) (resid  67 and name n)  1.0  130.0   35.0 2      ! H66 


! R67 Dihedrals
assign (resid  66 and name c)  (resid  67 and name n)
       (resid  67 and name ca) (resid  67 and name c)  1.0  -60.0  20.0 2      ! R67 
assign (resid  67 and name n)  (resid  67 and name ca)
       (resid  67 and name c) (resid  68 and name n)  1.0  -30.0   30.0 2      ! R67 

! D68 Dihedrals
assign (resid  67 and name c)  (resid  68 and name n)
       (resid  68 and name ca) (resid  68 and name c)  1.0  -70.0  30.0 2      ! D68 
assign (resid  68 and name n)  (resid  68 and name ca)
       (resid  68 and name c) (resid  69 and name n)  1.0  -25.0   30.0 2      ! D68 

! L69 Dihedrals
assign (resid  68 and name c)  (resid  69 and name n)
       (resid  69 and name ca) (resid  69 and name c)  1.0  -100.0  20.0 2      ! L69 
assign (resid  69 and name n)  (resid  69 and name ca)
       (resid  69 and name c) (resid  70 and name n)  1.0   -0.0   20.0 2     ! L69 

! T70 Dihedrals
assign (resid  69 and name c)  (resid  70 and name n)
       (resid  70 and name ca) (resid  70 and name c)  1.0  -60.0  20.0 2      ! T70 
assign (resid  70 and name n)  (resid  70 and name ca)
       (resid  70 and name c) (resid  71 and name n)  1.0  -40.0   20.0 2      ! T70 

! E71 Dihedrals
assign (resid  70 and name c)  (resid  71 and name n)
       (resid  71 and name ca) (resid  71 and name c)  1.0  -65.0  20.0 2      ! E71 
assign (resid  71 and name n)  (resid  71 and name ca)
       (resid  71 and name c) (resid  72 and name n)  1.0  -40.0   20.0 2      ! E71 

! R72 Dihedrals
assign (resid  71 and name c)  (resid  72 and name n)
       (resid  72 and name ca) (resid  72 and name c)  1.0  -60.0   20.0 2      ! R72 
assign (resid  72 and name n)  (resid  72 and name ca)
       (resid  72 and name c) (resid  73 and name n)  1.0   -40.0   20.0 2      ! R72 

! A73 Dihedrals
assign (resid  72 and name c)  (resid  73 and name n)
       (resid  73 and name ca) (resid  73 and name c)  1.0  -65.0  20.0 2      ! A73 
assign (resid  73 and name n)  (resid  73 and name ca)
       (resid  73 and name c) (resid  74 and name n)  1.0   -40.0  20.0 2      ! A73 

! M74 Dihedrals
assign (resid  73 and name c)  (resid  74 and name n)
       (resid  74 and name ca) (resid  74 and name c)  1.0  -60.0  20.0 2      ! M74 
assign (resid  74 and name n)  (resid  74 and name ca)
       (resid  74 and name c) (resid  75 and name n)  1.0  -40.0   20.0 2      ! M74 

! R75 Dihedrals
assign (resid  74 and name c)  (resid  75 and name n)
       (resid  75 and name ca) (resid  75 and name c)  1.0  -60.0  20.0 2      ! R75 
assign (resid  75 and name n)  (resid  75 and name ca)
       (resid  75 and name c) (resid  76 and name n)  1.0   -40.0  20.0 2      ! R75 

! Q76 Dihedrals
assign (resid  75 and name c)  (resid  76 and name n)
       (resid  76 and name ca) (resid  76 and name c)  1.0  -70.0  20.0 2      ! Q76 
assign (resid  76 and name n)  (resid  76 and name ca)
       (resid  76 and name c) (resid  77 and name n)  1.0  -40.0   20.0 2      ! Q76 

! V77 Dihedrals
assign (resid  76 and name c)  (resid  77 and name n)
       (resid  77 and name ca) (resid  77 and name c)  1.0 -120.0  30.0 2      ! V77 
assign (resid  77 and name n)  (resid  77 and name ca)
       (resid  77 and name c) (resid  78 and name n)  1.0    120.0  30.0 2      ! V77 

! P78 Dihedrals
assign (resid  77 and name c)  (resid  78 and name n)
       (resid  78 and name ca) (resid  78 and name c)  1.0  -65.0  20.0 2      ! P78 
assign (resid  78 and name n)  (resid  78 and name ca)
       (resid  78 and name c) (resid  79 and name n)  1.0  -25.0  30.0 2      ! P78 

! Q79 Dihedrals
assign (resid  78 and name c)  (resid  79 and name n)
       (resid  79 and name ca) (resid  79 and name c)  1.0  -85.0  20.0 2      ! Q79 
assign (resid  79 and name n)  (resid  79 and name ca)
       (resid  79 and name c) (resid  80 and name n)  1.0  -10.0   20.0 2      ! Q79 

! A80 Dihedrals
assign (resid  79 and name c)  (resid  80 and name n)
       (resid  80 and name ca) (resid  80 and name c)  1.0  -105.0   20.0 2      ! A80 
assign (resid  80 and name n)  (resid  80 and name ca)
       (resid  80 and name c) (resid  81 and name n)  1.0   160.0  30.0 2      ! A80 

! Q81 Dihedrals
assign (resid  80 and name c)  (resid  81 and name n)
       (resid  81 and name ca) (resid  81 and name c)  1.0  -85.0  20.0 2     ! Q81 
assign (resid  81 and name n)  (resid  81 and name ca)
       (resid  81 and name c) (resid  82 and name n)  1.0  150.0  30.0 2      ! Q81 

! H82 Dihedrals
assign (resid  81 and name c)  (resid  82 and name n)
       (resid  82 and name ca) (resid  82 and name c)  1.0 -140.0  20.0 2    ! H82 
assign (resid  82 and name n)  (resid  82 and name ca)
       (resid  82 and name c) (resid  83 and name n)  1.0  140.0  30.0 2      ! H82 

! I83 Dihedrals
assign (resid  82 and name c)  (resid  83 and name n)
       (resid  83 and name ca) (resid  83 and name c)  1.0 -125.0  20.0 2      ! I83 
assign (resid  83 and name n)  (resid  83 and name ca)
       (resid  83 and name c) (resid  84 and name n)  1.0  130.0  30.0 2      ! I83 

! S84 Dihedrals
assign (resid  83 and name c)  (resid  84 and name n)
       (resid  84 and name ca) (resid  84 and name c)  1.0 -130.0  30.0 2      ! S84 
assign (resid  84 and name n)  (resid  84 and name ca)
       (resid  84 and name c) (resid  85 and name n)  1.0  150.0  40.0 2      ! S84 

! L85 Dihedrals
assign (resid  84 and name c)  (resid  85 and name n)
       (resid  85 and name ca) (resid  85 and name c)  1.0 -120.0  20.0 2     ! L85 
assign (resid  85 and name n)  (resid  85 and name ca)
       (resid  85 and name c) (resid  86 and name n)  1.0  140.0  30.0 2      ! L85 

! T86 Dihedrals
assign (resid  85 and name c)  (resid  86 and name n)
       (resid  86 and name ca) (resid  86 and name c)  1.0 -100.0  55.0 2      ! T86 
!assign (resid  86 and name n)  (resid  86 and name ca)
!       (resid  86 and name c) (resid  87 and name n)  1.0  70.0 100.0 2      ! T86 


! N87 Dihedrals
assign (resid  86 and name c)  (resid  87 and name n)
      (resid  87 and name ca) (resid  87 and name c)  1.0  -140.0  20.0 2      ! N87 
assign (resid  87 and name n)  (resid  87 and name ca)
       (resid  87 and name c) (resid  88 and name n)  1.0  150.0  30.0 2      ! N87 



! F88 Dihedrals
assign (resid  87 and name c)  (resid  88 and name n)
      (resid  88 and name ca) (resid  88 and name c)  1.0 -60.0 15.0 2 
assign (resid  88 and name n)  (resid  88 and name ca)
       (resid  88 and name c) (resid  89 and name n)  1.0  -35.0 25.0 2 

! L89 Dihedrals
assign (resid  88 and name c)  (resid  89 and name n)
       (resid  89 and name ca) (resid  89 and name c)  1.0  -110.0  20.0 2       !L89 
assign (resid  89 and name n)  (resid  89 and name ca)
       (resid  89 and name c) (resid  90 and name n)  1.0   15.0  25.0 2       !L89 


! D90 Dihedrals
assign (resid  89 and name c)  (resid  90 and name n)
      (resid  90 and name ca) (resid  90 and name c)  1.0  -70.0  30.0 2      ! D90 

! S91 Dihedrals
assign (resid  90 and name c)  (resid  91 and name n)
       (resid  91 and name ca) (resid  91 and name c)  1.0  -65.0  20.0 2      ! S91 
assign (resid  91 and name n)  (resid  91 and name ca)
       (resid  91 and name c) (resid  92 and name n)  1.0  -40.0  20.0 2      ! S91 

! G92 Dihedrals
assign (resid  91 and name c)  (resid  92 and name n)
       (resid  92 and name ca) (resid  92 and name c)  1.0  -65.0  20.0 2      ! G92 
assign (resid  92 and name n)  (resid  92 and name ca)
       (resid  92 and name c) (resid  93 and name n)  1.0  -40.0  20.0 2      ! G92 

! L93 Dihedrals
assign (resid  92 and name c)  (resid  93 and name n)
       (resid  93 and name ca) (resid  93 and name c)  1.0  -65.0  20.0 2      ! L93 
assign (resid  93 and name n)  (resid  93 and name ca)
       (resid  93 and name c) (resid  94 and name n)  1.0  -40.0   20.0 2      ! L93 


! Y94 Dihedrals
assign (resid  93 and name c)  (resid  94 and name n)
       (resid  94 and name ca) (resid  94 and name c)  1.0  -65.0  20.0 2      ! Y94 
assign (resid  94 and name n)  (resid  94 and name ca)
       (resid  94 and name c) (resid  95 and name n)  1.0  -40.0  20.0 2      ! Y94 

! T95 Dihedrals
assign (resid  94 and name c)  (resid  95 and name n)
       (resid  95 and name ca) (resid  95 and name c)  1.0  -65.0  20.0 2      ! T95 
assign (resid  95 and name n)  (resid  95 and name ca)
       (resid  95 and name c) (resid  96 and name n)  1.0  -40.0   20.0 2      ! T95 

! S96 Dihedrals
assign (resid  95 and name c)  (resid  96 and name n)
       (resid  96 and name ca) (resid  96 and name c)  1.0  -60.0  20.0 2      ! S96 
assign (resid  96 and name n)  (resid  96 and name ca)
       (resid  96 and name c) (resid  97 and name n)  1.0  -40.0   20.0 2      ! S96 

! L97 Dihedrals
assign (resid  96 and name c)  (resid  97 and name n)
       (resid  97 and name ca) (resid  97 and name c)  1.0  -65.0  20.0 2      ! L97 
assign (resid  97 and name n)  (resid  97 and name ca)
       (resid  97 and name c) (resid  98 and name n)  1.0  -40.0   20.0 2      ! L97 

! T98 Dihedrals
assign (resid  97 and name c)  (resid  98 and name n)
       (resid  98 and name ca) (resid  98 and name c)  1.0  -65.0  20.0 2      ! T98 
assign (resid  98 and name n)  (resid  98 and name ca)
       (resid  98 and name c) (resid  99 and name n)  1.0  -40.0   20.0 2      ! T98 

! E99 Dihedrals
assign (resid  98 and name c)  (resid  99 and name n)
       (resid  99 and name ca) (resid  99 and name c)  1.0  -65.0  20.0 2      ! E99 
assign (resid  99 and name n)  (resid  99 and name ca)
       (resid  99 and name c) (resid 100 and name n)  1.0  -40.0   20.0 2      ! E99 

! R100 Dihedrals
assign (resid  99 and name c)  (resid 100 and name n)
       (resid 100 and name ca) (resid 100 and name c)  1.0  -65.0   20.0 2      ! R100 
assign (resid 100 and name n)  (resid 100 and name ca)
       (resid 100 and name c) (resid 101 and name n)  1.0  -40.0   20.0 2      ! R100 

! L101 Dihedrals
assign (resid 100 and name c)  (resid 101 and name n)
       (resid 101 and name ca) (resid 101 and name c)  1.0  -65.0  20.0 2      ! L101 
assign (resid 101 and name n)  (resid 101 and name ca)
       (resid 101 and name c) (resid 102 and name n)  1.0  -40.0   20.0 2      ! L101 

! V102 Dihedrals
assign (resid 101 and name c)  (resid 102 and name n)
       (resid 102 and name ca) (resid 102 and name c)  1.0  -65.0   20.0 2      ! V102 
assign (resid 102 and name n)  (resid 102 and name ca)
       (resid 102 and name c) (resid 103 and name n)  1.0  -40.0   20.0 2      ! V102 

! A103 Dihedrals
assign (resid 102 and name c)  (resid 103 and name n)
       (resid 103 and name ca) (resid 103 and name c)  1.0  -60.0   20.0 2      ! A103 
assign (resid 103 and name n)  (resid 103 and name ca)
       (resid 103 and name c) (resid 104 and name n)  1.0  -35.0   20.0 2      ! A103 

! A104 Dihedrals
assign (resid 103 and name c)  (resid 104 and name n)
       (resid 104 and name ca) (resid 104 and name c)  1.0  -65.0  20.0 2      ! A104 
assign (resid 104 and name n)  (resid 104 and name ca)
       (resid 104 and name c) (resid 105 and name n)  1.0  -35.0   20.0 2      ! A104 

! Q105 Dihedrals
assign (resid 104 and name c)  (resid 105 and name n)
       (resid 105 and name ca) (resid 105 and name c)  1.0  -60.0  20.0 2      ! Q105 
assign (resid 105 and name n)  (resid 105 and name ca)
       (resid 105 and name c) (resid 106 and name n)  1.0  -30.0  20.0 2      ! Q105 

! R106 Dihedrals
assign (resid 105 and name c)  (resid 106 and name n)
       (resid 106 and name ca) (resid 106 and name c)  1.0  -70.0  20.0 2      ! R106 
assign (resid 106 and name n)  (resid 106 and name ca)
       (resid 106 and name c) (resid 107 and name n)  1.0  -30.0  30.0 2      ! R106 

! H107 Dihedrals
assign (resid 106 and name c)  (resid 107 and name n)
       (resid 107 and name ca) (resid 107 and name c)  1.0 -90.0 30.0 2 
assign (resid 107 and name n)  (resid 107 and name ca)
       (resid 107 and name c) (resid 108 and name n)  1.0  150.0  30.0 2      ! H107 

! T108 Dihedrals
assign (resid 107 and name c)  (resid 108 and name n)
       (resid 108 and name ca) (resid 108 and name c)  1.0 -90.0  35.0 2      ! T108 
assign (resid 108 and name n)  (resid 108 and name ca)
       (resid 108 and name c) (resid 109 and name n)  1.0   150.0  30.0 2      ! T108 

! A109 Dihedrals
assign (resid 108 and name c)  (resid 109 and name n)
       (resid 109 and name ca) (resid 109 and name c)  1.0  -90.0 40.0 2 
assign (resid 109 and name n)  (resid 109 and name ca)
       (resid 109 and name c) (resid 110 and name n)  1.0  135.0  35.0 2      ! A109 

! N110 Dihedrals
assign (resid 109 and name c)  (resid 110 and name n)
       (resid 110 and name ca) (resid 110 and name c)  1.0  -85.0  30.0 2      ! N110 
assign (resid 110 and name n)  (resid 110 and name ca)
       (resid 110 and name c) (resid 111 and name n)  1.0  135.0  35.0 2      ! N110 

! E111 Dihedrals
assign (resid 110 and name c)  (resid 111 and name n)
       (resid 111 and name ca) (resid 111 and name c)  1.0  -80.0  30.0 2      ! E111 
assign (resid 111 and name n)  (resid 111 and name ca)
       (resid 111 and name c) (resid 112 and name n)  1.0  80.0  100.0 2      ! E111 


!Sidechain

!C20 
assign (resid 20 and name N)  (resid 20 and name CA)
      (resid 20 and name CB) (resid 20 and name SG) 1.0   70.0 10.00  2

!H12
assign (resid 66 and name n)  (resid 66 and name ca)
       (resid 66 and name cb) (resid 66 and name cg) 1.0 -120.0 80.0 2

!H66
assign (resid 66 and name n)  (resid 66 and name ca)
       (resid 66 and name cb) (resid 66 and name cg) 1.0 180.0 20.0 2 
assign (resid 66 and name ca) (resid 66 and name cb)
       (resid 66 and name cg) (resid 66 and name nd1) 1.0 -70.0 35.0 2

!H82
assign (resid 82 and name n)  (resid 82 and name ca)
       (resid 82 and name cb) (resid 82 and name cg) 1.0 -60.0 20.0 2 
assign (resid 82 and name ca) (resid 82 and name cb)
       (resid 82 and name cg) (resid 82 and name nd1) 1.0 -70.0 40.0 2


!F88
assign (resid 88 and name n)  (resid 88 and name ca)
       (resid 88 and name cb) (resid 88 and name cg) 1.0 -60.0 20.0 2
assign (resid 88 and name ca) (resid 88 and name cb)
       (resid 88 and name cg) (resid 88 and name cd1) 1.0 90.0 30.0 2

!Y94
assign (resid 94 and name n)  (resid 94 and name ca)
       (resid 94 and name cb) (resid 94 and name cg) 1.0 -60.0 20.0 2
assign (resid 94 and name ca) (resid 94 and name cb)
       (resid 94 and name cg) (resid 94 and name cd1) 1.0 90.0 30.0 2

!I16
!chi1 
assign (resid 16 and name n)  (resid 16 and name ca)
       (resid 16 and name cb) (resid 16 and name cg1) 1.0 -60.0 20.0 2
assign (resid 16 and name ca) (resid 16 and name cb)
       (resid 16 and name cg1) (resid 16 and name cd1) 1.0 -120.0 80.0 2


!I17
assign (resid 17 and name n)  (resid 17 and name ca)
       (resid 17 and name cb) (resid 17 and name cg1) 1.0 180.0 20.0 2

!I38
assign (resid 38 and name n)  (resid 38 and name ca)
       (resid 38 and name cb) (resid 38 and name cg1) 1.0 -60.0 20.0 2
assign (resid 38 and name ca) (resid 38 and name cb)
       (resid 38 and name cg1) (resid 38 and name cd1) 1.0 180.0 20.0 2

!I46
assign (resid 46 and name n)  (resid 46 and name ca)
       (resid 46 and name cb) (resid 46 and name cg1) 1.0 -60.0 20.0 2
assign (resid 46 and name ca) (resid 46 and name cb)
       (resid 46 and name cg1) (resid 46 and name cd1) 1.0 180.0 20.0 2


!I53
assign (resid 53 and name n)  (resid 53 and name ca)
       (resid 53 and name cb) (resid 53 and name cg1) 1.0 -60.0 20.0 2
assign (resid 53 and name ca) (resid 53 and name cb)
       (resid 53 and name cg1) (resid 53 and name cd1) 1.0 180.0 20.0 2


!I64
assign (resid 64 and name n)  (resid 64 and name ca)
       (resid 64 and name cb) (resid 64 and name cg1) 1.0 -60.0 20.0 2
assign (resid 64 and name ca) (resid 64 and name cb)
       (resid 64 and name cg1) (resid 64 and name cd1) 1.0 180.0 20.0 2 !1.0 -120.0 80.0 2


!I83
assign (resid 83 and name n)  (resid 83 and name ca)
       (resid 83 and name cb) (resid 83 and name cg1) 1.0 -60.0 20.0 2
assign (resid 83 and name ca) (resid 83 and name cb)
       (resid 83 and name cg1) (resid 83 and name cd1) 1.0 -60.0 20.0 2


!V13
assign (resid 13 and name n)  (resid 13 and name ca)
       (resid 13 and name cb) (resid 13 and name cg1) 1.0 180.0 20.0 2

!V18
assign (resid 18 and name n)  (resid 18 and name ca)
       (resid 18 and name cb) (resid 18 and name cg1) 1.0 180.0 20.0 2

!V33
assign (resid 33 and name n)  (resid 33 and name ca)
       (resid 33 and name cb) (resid 33 and name cg1) 1.0 180.0 20.0 2


!V60
assign (resid 60 and name n)  (resid 60 and name ca)
       (resid 60 and name cb) (resid 60 and name cg1) 1.0 120.0 80.0 2

!V63
assign (resid 63 and name n)  (resid 63 and name ca)
       (resid 63 and name cb) (resid 63 and name cg1) 1.0 180.0 20.0 2


!V77
assign (resid 77 and name n)  (resid 77 and name ca)
       (resid 77 and name cb) (resid 77 and name cg1) 1.0 -60.0 20.0 2

!V102
assign (resid 102 and name n)  (resid 102 and name ca)
       (resid 102 and name cb) (resid 102 and name cg1) 1.0 180.0 20.0 2


!D21  
!chi2
assign (resid 21 and name ca) (resid 21 and name cb)
       (resid 21 and name cg) (resid 21 and name od1) 1.0 0.0 90.0 2

!D40
!chi2
assign (resid 40 and name ca) (resid 40 and name cb)
       (resid 40 and name cg) (resid 40 and name od1) 1.0 0.0 90.0 2

!D59
!chi2
assign (resid 59 and name ca) (resid 59 and name cb)
       (resid 59 and name cg) (resid 59 and name od1) 1.0 0.0 90.0 2

!D61
!chi2
assign (resid 61 and name ca) (resid 61 and name cb)
       (resid 61 and name cg) (resid 61 and name od1) 1.0 0.0 90.0 2

!D68
!chi2
assign (resid 68 and name ca) (resid 68 and name cb)
       (resid 68 and name cg) (resid 68 and name od1) 1.0 0.0 90.0 2

!D90
!chi2
assign (resid 90 and name ca) (resid 90 and name cb)
       (resid 90 and name cg) (resid 90 and name od1) 1.0 0.0 90.0 2




!Glu chi3  0+/-90   cb cg cd oe1

!E71
!chi3
assign (resid 71 and name cb) (resid 71 and name cg)
       (resid 71 and name cd) (resid 71 and name oe1) 1.0 0.0 90.0 2

!E99
!chi3
assign (resid 99 and name cb) (resid 99 and name cg)
       (resid 99 and name cd) (resid 99 and name oe1) 1.0 0.0 90.0 2

!E111
!chi3
assign (resid 111 and name cb) (resid 111 and name cg)
       (resid 111 and name cd) (resid 111 and name oe1) 1.0 0.0 90.0 2

!E112
!chi3
assign (resid 112 and name cb) (resid 112 and name cg)
       (resid 112 and name cd) (resid 112 and name oe1) 1.0 0.0 90.0 2



!R35
assign (resid 35 and name n) (resid 35 and name ca)
       (resid 35 and name cb) (resid 35 and name cg) 1.0 180.0 20.0 2

!K36
assign (resid 36 and name n) (resid 36 and name ca)
       (resid 36 and name cb) (resid 36 and name cg) 1.0 180.0 20.0 2

!R67 chi1
assign (resid 67 and name n) (resid 67 and name ca)
       (resid 67 and name cb) (resid 67 and name cg)  1.0 180.0 20.0 2

!Q76
assign (resid 76 and name n) (resid 76 and name ca)
       (resid 76 and name cb) (resid 76 and name cg)  1.0 180.0 20.0 2
assign (resid 76 and name ca) (resid 76 and name cb)
       (resid 76 and name cg) (resid 76 and name cd) 1.0 180.0 20.0 2


!M29
assign (resid 29 and name n) (resid 29 and name ca)
       (resid 29 and name cb) (resid 29 and name cg)  1.0 -60.0 20.0 2

!K37
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 20.0 2

!Q45
assign (resid 45 and name n) (resid 45 and name ca)
       (resid 45 and name cb) (resid 45 and name cg)  1.0 -60.0 20.0 2

!M74
assign (resid 74 and name n) (resid 74 and name ca)
       (resid 74 and name cb) (resid 74 and name cg)  1.0 -60.0 20.0 2

!Q79
assign (resid 79 and name n) (resid 79 and name ca)
       (resid 79 and name cb) (resid 79 and name cg)  1.0 -60.0 20.0 2

!E99
assign (resid 99 and name n) (resid 99 and name ca)
       (resid 99 and name cb) (resid 99 and name cg)  1.0 -60.0 20.0 2

!Q105
assign (resid 105 and name n) (resid 105 and name ca)
       (resid 105 and name cb) (resid 105 and name cg)  1.0 -60.0 20.0 2


!T49 
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 20.0 2


!T70 
assign (resid 70 and name n) (resid 70 and name ca)
       (resid 70 and name cb) (resid 70 and name og1)  1.0 60.0 20.0 2


!T95
assign (resid 95 and name n) (resid 95 and name ca)
       (resid 95 and name cb) (resid 95 and name og1)  1.0 -60 20.0 2

!T98
assign (resid 98 and name n) (resid 98 and name ca)
       (resid 98 and name cb) (resid 98 and name og1)  1.0 -60 20.0 2


!L34
assign (resid 34 and name n) (resid 34 and name ca)
       (resid 34 and name cb) (resid 34 and name cg) 1.0 -60.0 20.0 2
assign (resid 34 and name ca) (resid 34 and name cb)
       (resid 34 and name cg) (resid 34 and name cd1) 1.0 180.0 20.0 2


!L43
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
assign (resid 43 and name ca) (resid 43 and name cb)
       (resid 43 and name cg) (resid 43 and name cd1) 1.0 180.0 20.0 2

!L56
assign (resid 56 and name n) (resid 56 and name ca)
       (resid 56 and name cb) (resid 56 and name cg) 1.0 -60.0 20.0 2
assign (resid 56 and name ca) (resid 56 and name cb)
       (resid 56 and name cg) (resid 56 and name cd1) 1.0 180.0 20.0 2

!L62
assign (resid 62 and name n) (resid 62 and name ca)
       (resid 62 and name cb) (resid 62 and name cg) 1.0 -60.0 20.0 2
assign (resid 62 and name ca) (resid 62 and name cb)
       (resid 62 and name cg) (resid 62 and name cd1) 1.0 180.0 20.0 2


!L69
assign (resid 69 and name n) (resid 69 and name ca)
       (resid 69 and name cb) (resid 69 and name cg) 1.0 -60.0 20.0 2
assign (resid 69 and name ca) (resid 69 and name cb)
       (resid 69 and name cg) (resid 69 and name cd1) 1.0 180.0 20.0 2


!L85
assign (resid 85 and name n) (resid 85 and name ca)
       (resid 85 and name cb) (resid 85 and name cg) 1.0 -60.0 20.0 2
assign (resid 85 and name ca) (resid 85 and name cb)
       (resid 85 and name cg) (resid 85 and name cd1) 1.0 180.0 20.0 2



!L89
assign (resid 89 and name n) (resid 89 and name ca)
       (resid 89 and name cb) (resid 89 and name cg) 1.0 -60.0 20.0 2
assign (resid 89 and name ca) (resid 89 and name cb)
       (resid 89 and name cg) (resid 89 and name cd1) 1.0 180.0 20.0 2

!L93
assign (resid 93 and name n) (resid 93 and name ca)
       (resid 93 and name cb) (resid 93 and name cg) 1.0 -60.0 20.0 2
assign (resid 93 and name ca) (resid 93 and name cb)
       (resid 93 and name cg) (resid 93 and name cd1) 1.0 180.0 20.0 2

!L97
assign (resid 97 and name n) (resid 97 and name ca)
       (resid 97 and name cb) (resid 97 and name cg) 1.0 -60.0 20.0 2
assign (resid 97 and name ca) (resid 97 and name cb)
       (resid 97 and name cg) (resid 97 and name cd1) 1.0 180.0 20.0 2



!L101
assign (resid 101 and name n) (resid 101 and name ca)
       (resid 101 and name cb) (resid 101 and name cg) 1.0 -60.0 20.0 2
assign (resid 101 and name ca) (resid 101 and name cb)
       (resid 101 and name cg) (resid 101 and name cd1) 1.0 180.0 20.0 2


4. 3JHN-HA couplings

! V13
assign (resid  12 and name c ) (resid  13 and name n )
       (resid  13 and name ca) (resid  13 and name c )      4.4 0.5
! R14
assign (resid  13 and name c ) (resid  14 and name n )
       (resid  14 and name ca) (resid  14 and name c )      9.8 0.5
! K15
assign (resid  14 and name c ) (resid  15 and name n )
       (resid  15 and name ca) (resid  15 and name c )      9.8 0.5

! I16
assign (resid  15 and name c ) (resid  16 and name n )
       (resid  16 and name ca) (resid  16 and name c )      9.6 0.5

! I17
assign (resid  16 and name c ) (resid  17 and name n )
       (resid  17 and name ca) (resid  17 and name c )      8.6 0.5
! V18
assign (resid  17 and name c ) (resid  18 and name n )
       (resid  18 and name ca) (resid  18 and name c )      8.3 0.5
! A19
assign (resid  18 and name c ) (resid  19 and name n )
       (resid  19 and name ca) (resid  19 and name c )      9.6 0.5 !8.7 0.5
! C20
assign (resid  19 and name c ) (resid  20 and name n )
       (resid  20 and name ca) (resid  20 and name c )      7.9 0.5

! D21
assign (resid  20 and name c ) (resid  21 and name n )
       (resid  21 and name ca) (resid  21 and name c )      5.3 0.5
! A22
assign (resid  21 and name c ) (resid  22 and name n )
       (resid  22 and name ca) (resid  22 and name c )      8.1 0.5

! M24
assign (resid  23 and name c ) (resid  24 and name n )
       (resid  24 and name ca) (resid  24 and name c )      7.7 0.5
! S26
! S27
assign (resid  26 and name c ) (resid  27 and name n )
       (resid  27 and name ca) (resid  27 and name c )      4.9 0.5

! A28
assign (resid  27 and name c ) (resid  28 and name n )
       (resid  28 and name ca) (resid  28 and name c )      4.9 0.5
! M29
assign (resid  28 and name c ) (resid  29 and name n )
       (resid  29 and name ca) (resid  29 and name c )      4.8 0.5
! A31
assign (resid  30 and name c ) (resid  31 and name n )
       (resid  31 and name ca) (resid  31 and name c )      3.0 0.5
! V33
assign (resid  32 and name c ) (resid  33 and name n )
       (resid  33 and name ca) (resid  33 and name c )      4.5 0.5
! L34
assign (resid  33 and name c ) (resid  34 and name n )
       (resid  34 and name ca) (resid  34 and name c )      3.9 0.5
! R35
assign (resid  34 and name c ) (resid  35 and name n )
       (resid  35 and name ca) (resid  35 and name c )      2.8 0.5

! K36
assign (resid  35 and name c ) (resid  36 and name n )
       (resid  36 and name ca) (resid  36 and name c )      4.0 0.5
! K37
assign (resid  36 and name c ) (resid  37 and name n )
       (resid  37 and name ca) (resid  37 and name c )      3.8 0.5
! I38
! Q39
assign (resid  38 and name c ) (resid  39 and name n )
       (resid  39 and name ca) (resid  39 and name c )      4.7 0.5
! D40
assign (resid  39 and name c ) (resid  40 and name n )
       (resid  40 and name ca) (resid  40 and name c )      3.6 0.5

! A41
assign (resid  40 and name c ) (resid  41 and name n )
       (resid  41 and name ca) (resid  41 and name c )      6.0 0.5
! L43
! S44
assign (resid  43 and name c ) (resid  44 and name n )
       (resid  44 and name ca) (resid  44 and name c )      4.6 0.5
! Q45
assign (resid  44 and name c ) (resid  45 and name n )
       (resid  45 and name ca) (resid  45 and name c )      6.9 0.5
! I46
assign (resid  45 and name c ) (resid  46 and name n )
       (resid  46 and name ca) (resid  46 and name c )      7.9 0.5
! S47
assign (resid  46 and name c ) (resid  47 and name n )
       (resid  47 and name ca) (resid  47 and name c )      9.1 0.5
! V48
assign (resid  47 and name c ) (resid  48 and name n )
       (resid  48 and name ca) (resid  48 and name c )      7.5 0.5

! T49
assign (resid  48 and name c ) (resid  49 and name n )
       (resid  49 and name ca) (resid  49 and name c )      8.0 0.5

! N50
! S51
! A52
! I53
assign (resid  52 and name c ) (resid  53 and name n )
       (resid  53 and name ca) (resid  53 and name c )      3.0 0.5
! N54
assign (resid  53 and name c ) (resid  54 and name n )
       (resid  54 and name ca) (resid  54 and name c )      4.5 0.5
! N55
assign (resid  54 and name c ) (resid  55 and name n )
       (resid  55 and name ca) (resid  55 and name c )      9.6 0.5
! L56
! P57
! P58
! D59
! V60
assign (resid  59 and name c ) (resid  60 and name n )
       (resid  60 and name ca) (resid  60 and name c )      4.9 0.5
! D61
assign (resid  60 and name c ) (resid  61 and name n )
       (resid  61 and name ca) (resid  61 and name c )      7.8 0.5
! L62
! V63
assign (resid  62 and name c ) (resid  63 and name n )
       (resid  63 and name ca) (resid  63 and name c )      8.9 0.5
! I64
assign (resid  63 and name c ) (resid  64 and name n )
       (resid  64 and name ca) (resid  64 and name c )      8.8 0.5
! T65
assign (resid  64 and name c ) (resid  65 and name n )
       (resid  65 and name ca) (resid  65 and name c )      7.2 0.5
! H66
! R67
!assign (resid  66 and name c ) (resid  67 and name n )
!       (resid  67 and name ca) (resid  67 and name c )      1.4 0.5
! D68
assign (resid  67 and name c ) (resid  68 and name n )
       (resid  68 and name ca) (resid  68 and name c )      5.2 0.5
! L69
assign (resid  68 and name c ) (resid  69 and name n )
       (resid  69 and name ca) (resid  69 and name c )      9.4 0.5
! T70
! E71
assign (resid  70 and name c ) (resid  71 and name n )
       (resid  71 and name ca) (resid  71 and name c )      3.5 0.5
! R72
assign (resid  71 and name c ) (resid  72 and name n )
       (resid  72 and name ca) (resid  72 and name c )      4.2 0.5
! A73
assign (resid  72 and name c ) (resid  73 and name n )
       (resid  73 and name ca) (resid  73 and name c )      4.5 0.5
! M74
assign (resid  73 and name c ) (resid  74 and name n )
       (resid  74 and name ca) (resid  74 and name c )      3.6 0.5
! R75
assign (resid  74 and name c ) (resid  75 and name n )
       (resid  75 and name ca) (resid  75 and name c )      5.5 0.5
! Q76
assign (resid  75 and name c ) (resid  76 and name n )
       (resid  76 and name ca) (resid  76 and name c )      5.3 0.5
! V77
assign (resid  76 and name c ) (resid  77 and name n )
       (resid  77 and name ca) (resid  77 and name c )      8.6 0.5
! P78
! Q79
assign (resid  78 and name c ) (resid  79 and name n )
       (resid  79 and name ca) (resid  79 and name c )      6.6 0.5
! A80
assign (resid  79 and name c ) (resid  80 and name n )
       (resid  80 and name ca) (resid  80 and name c )      7.2 0.5
! Q81
assign (resid  80 and name c ) (resid  81 and name n )
       (resid  81 and name ca) (resid  81 and name c )      7.7 0.5
! H82
assign (resid  81 and name c ) (resid  82 and name n )
       (resid  82 and name ca) (resid  82 and name c )      8.6 0.5
! I83
assign (resid  82 and name c ) (resid  83 and name n )
       (resid  83 and name ca) (resid  83 and name c )      8.8 0.5
! S84
assign (resid  83 and name c ) (resid  84 and name n )
       (resid  84 and name ca) (resid  84 and name c )      8.9 0.5
! L85
assign (resid  84 and name c ) (resid  85 and name n )
       (resid  85 and name ca) (resid  85 and name c )      8.5 0.5
! T86
! N87
! F88
! L89
assign (resid  88 and name c ) (resid  89 and name n )
       (resid  89 and name ca) (resid  89 and name c )      8.7 0.5
! D90
! S91
! L93
assign (resid  92 and name c ) (resid  93 and name n )
       (resid  93 and name ca) (resid  93 and name c )      3.7 0.5
! Y94
assign (resid  93 and name c ) (resid  94 and name n )
       (resid  94 and name ca) (resid  94 and name c )      3.6 0.5
! T95
assign (resid  94 and name c ) (resid  95 and name n )
       (resid  95 and name ca) (resid  95 and name c )      4.2 0.5
! S96
assign (resid  95 and name c ) (resid  96 and name n )
       (resid  96 and name ca) (resid  96 and name c )      4.0 0.5
! L97
assign (resid  96 and name c ) (resid  97 and name n )
       (resid  97 and name ca) (resid  97 and name c )      3.5 0.5
! T98
assign (resid  97 and name c ) (resid  98 and name n )
       (resid  98 and name ca) (resid  98 and name c )      3.9 0.5

! E99
! R100
! L101
assign (resid 100 and name c ) (resid 101 and name n )
       (resid 101 and name ca) (resid 101 and name c )      4.3 0.5
! V102
assign (resid 101 and name c ) (resid 102 and name n )
       (resid 102 and name ca) (resid 102 and name c )      3.8 0.5
! A103
assign (resid 102 and name c ) (resid 103 and name n )
       (resid 103 and name ca) (resid 103 and name c )      3.8 0.5
! A104
assign (resid 103 and name c ) (resid 104 and name n )
       (resid 104 and name ca) (resid 104 and name c )      5.1 0.5
! Q105
assign (resid 104 and name c ) (resid 105 and name n )
       (resid 105 and name ca) (resid 105 and name c )      5.2 0.5 !7.2 0.5
! R106
! H107


! G32
assign (resid  32 and name ha1) (resid  32 and name ca)
       (resid  32 and name n ) (resid  32 and name hn)
       (resid  32 and name ha2) (resid  32 and name ca)
       (resid  32 and name n ) (resid  32 and name hn)
   3.4 0.5
   5.4 0.5
! G42
assign (resid  42 and name ha1) (resid  42 and name ca)
       (resid  42 and name n ) (resid  42 and name hn)
       (resid  42 and name ha2) (resid  42 and name ca)
       (resid  42 and name n ) (resid  42 and name hn)
   5.5 0.5
   6.6 0.5


5. Residual dipolar couplings measured in PEG/hexanol
All dipolar couplings are normalized to the NH couplings.

Da(NH) = -15.8 Hz, rhombicity=0.02

N-H RDCs


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  )  15.8100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 13   and name N   )
       ( resid 13   and name HN  )  10.8000  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  )  -2.4700  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  )  16.5600  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  )  6.5600  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  )  16.5200  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  )  13.0100  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  )  16.7400  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  )  15.4300  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  )  10.0900  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  )  9.3100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 23   and name N   )
       ( resid 23   and name HN  )  13.48 0.2 !12.5400  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  )  -8.3800  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  )  -19.6700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 28   and name N   )
       ( resid 28   and name HN  )  -27.5100  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  )  -30.8400  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  )  -26.7200  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  )  -22.2000  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  )  -29.7700  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  )  -26.9500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 35   and name N   )
       ( resid 35   and name HN  )  -26.7300  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  )  -29.4100  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  )  -27.5000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 40   and name N   )
       ( resid 40   and name HN  )  -30.6500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 41   and name N   )
       ( resid 41   and name HN  )  -24.0200  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  )  -3.9300  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  )  -20.8300  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  )  4.6100  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  )  6.8500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 47   and name N   )
       ( resid 47   and name HN  )  15.6700  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  )  15.8300  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  )  15.8300  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  )  14.7100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 54   and name N   )
       ( resid 54   and name HN  )  -1.8000  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  )  14.6500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 60   and name N   )
       ( resid 60   and name HN  )  -19.8500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 61   and name N   )
       ( resid 61   and name HN  )  10.1800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 63   and name N   )
       ( resid 63   and name HN  )  17.5300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 64   and name N   )
       ( resid 64   and name HN  )  15.2000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 65   and name N   )
       ( resid 65   and name HN  )  15.1500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 66   and name N   )
       ( resid 66   and name HN  )  11.0700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 67   and name N   )
       ( resid 67   and name HN  )  8.8800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 68   and name N   )
       ( resid 68   and name HN  )  14.8400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 69   and name N   )
       ( resid 69   and name HN  )  -7.6900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 71   and name N   )
       ( resid 71   and name HN  )  -3.4900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 73   and name N   )
       ( resid 73   and name HN  )  12.8500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 74   and name N   )
       ( resid 74   and name HN  )  0.0700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 75   and name N   )
       ( resid 75   and name HN  )  -1.3700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 77   and name N   )
       ( resid 77   and name HN  )  7.8500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 79   and name N   )
       ( resid 79   and name HN  )  12.1200  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 80   and name N   )
       ( resid 80   and name HN  )  -29.0300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 81   and name N   )
       ( resid 81   and name HN  )  0.1600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 82   and name N   )
       ( resid 82   and name HN  )  16.8800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 83   and name N   )
       ( resid 83   and name HN  )  15.4700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 84   and name N   )
       ( resid 84   and name HN  )  11.2600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 85   and name N   )
       ( resid 85   and name HN  )  2.6700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 86   and name N   )
       ( resid 86   and name HN  )  -10.3200  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 89   and name N   )
       ( resid 89   and name HN  )  -19.9200  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 90   and name N   )
       ( resid 90   and name HN  )  2.0100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 92   and name N   )
       ( resid 92   and name HN  )  -23.0000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 93   and name N   )
       ( resid 93   and name HN  )  -19.4300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 94   and name N   )
       ( resid 94   and name HN  )  -9.3100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 95   and name N   )
       ( resid 95   and name HN  )  -12.6800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 96   and name N   )
       ( resid 96   and name HN  )  -25.8000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 97   and name N   )
       ( resid 97   and name HN  )  -15.4700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 98   and name N   )
       ( resid 98   and name HN  )  -5.5300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 100  and name N   )
       ( resid 100  and name HN  )  -24.0100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 101  and name N   )
       ( resid 101  and name HN  )  -5.9300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 102  and name N   )
       ( resid 102  and name HN  )  -7.2600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 103  and name N   )
       ( resid 103  and name HN  )  -21.4300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 104  and name N   )
       ( resid 104  and name HN  )  -15.3500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 105  and name N   )
       ( resid 105  and name HN  )  5.7100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 106  and name N   )
       ( resid 106  and name HN  )  -2.8100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 109  and name N   )
       ( resid 109  and name HN  )  3.9600  0.2000


!Normalized N-C' RDCs

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   )  7.0550  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   )  5.8930  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 15   and name C   )
       ( resid 16   and name N   )  7.9680  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   )  -23.9040  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   )  9.1300  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   )  -9.9600  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   )  -10.1260  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   )  -25.6470  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   )  8.0510  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 C   )
       ( resid 23   and name N   )  -12.9480  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   )  -0.2490  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   )  15.3550  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   )  2.6560  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   )  8.9640  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   )  12.1180  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   )  11.8690  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 N   )  8.1340  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   )  5.3120  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   )  10.6240  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   )  16.0190  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   )  -7.4700  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   )  14.2760  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   )  3.2370  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   )  -11.7030  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   )  -17.5130  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   )  -11.7030  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   )  -6.9720  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 54   and name C   )
       ( resid 55   and name N   )  -8.4660  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 59   and name C   )
       ( resid 60   and name N   )  -12.3670  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 60   and name C   )
       ( resid 61   and name N   )  -4.8140  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 62   and name C   )
       ( resid 63   and name N   )  -19.3390  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 63   and name C   )
       ( resid 64   and name N   )  14.8570  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 94   and name C   )
       ( resid 95   and name N   )  14.6080  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 66   and name C   )
       ( resid 67   and name N   )  15.5210  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 67   and name C   )
       ( resid 68   and name N   )  5.6440  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 68   and name C   )
       ( resid 69   and name N   )  -18.4260  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 72   and name C   )
       ( resid 73   and name N   )  -6.4740  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 73   and name C   )
       ( resid 74   and name N   )  14.6080  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 74   and name C   )
       ( resid 75   and name N   )  -25.3980  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 76   and name C   )
       ( resid 77   and name N   )  -0.4980  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 78   and name C   )
       ( resid 79   and name N   )  -6.3910  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 79   and name C   )
       ( resid 80   and name N   )  5.7270  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 80   and name C   )
       ( resid 81   and name N   )  -1.2450  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 81   and name C   )
       ( resid 82   and name N   )  -3.4860  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 82   and name C   )
       ( resid 83   and name N   )  14.6080  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 84   and name C   )
       ( resid 85   and name N   )  1.2450  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 85   and name C   )
       ( resid 86   and name N   )  7.3040  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 88   and name C   )
       ( resid 89   and name N   )  11.7860  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 89   and name C   )
       ( resid 90   and name N   )  9.1300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 91   and name C   )
       ( resid 92   and name N   )  8.7980  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 92   and name C   )
       ( resid 93   and name N   )  -11.6200  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 93   and name C   )
       ( resid 94   and name N   )  11.7030  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 95   and name C   )
       ( resid 96   and name N   )  -2.8220  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 96   and name C   )
       ( resid 97   and name N   )  -2.5730  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 99   and name C   )
       ( resid 100  and name N   )  -13.8610  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 100  and name C   )
       ( resid 101  and name N   )  13.4460  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 101  and name C   )
       ( resid 102  and name N   )  3.5690  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 102  and name C   )
       ( resid 103  and name N   )  6.8890  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 103  and name C   )
       ( resid 104  and name N   )  -9.1300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 104  and name C   )
       ( resid 105  and name N   )  12.6160  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 105  and name C   )
       ( resid 106  and name N   )  11.1220  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 108  and name C   )
       ( resid 109  and name N   )  0.9130  0.2000


!Normalized HN-C' RDCs

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  )  15.0552  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  )  11.9340  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  )  -1.4688  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  )  10.8324  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  )  -8.7822  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  )  14.4738  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  )  7.0380  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  )  6.7320  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  )  -15.1164  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  )  5.6610  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 C   )
       ( resid 23   and name HN  )  -2.5092  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  )  -4.7430  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  )  0.0306  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  )  -15.4530  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  )  -7.6194  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  )  -7.9560  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 C   )
       ( resid 33   and name HN  )  -17.6868  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  )  -7.4358  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  )  -3.3966  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  )  -14.4126  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  )  -6.0282  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  )  10.1286  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  )  -16.8912  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  )  9.7308  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  )  12.2094  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  )  2.4174  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  )  -2.7234  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  )  -2.6622  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  )  -8.7822  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  )  6.7932  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 59   and name C   )
       ( resid 60   and name HN  )  -24.2964  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 60   and name C   )
       ( resid 61   and name HN  )  -2.9988  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 61   and name C   )
       ( resid 62   and name HN  )  14.9328  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 63   and name C   )
       ( resid 64   and name HN  )  15.9426  0.2000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 66   and name C   )
       ( resid 67   and name HN  )  16.4628  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 67   and name C   )
       ( resid 68   and name HN  )  11.5362  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 68   and name C   )
       ( resid 69   and name HN  )  -22.3686  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 72   and name C   )
       ( resid 73   and name HN  )  6.5790  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 73   and name C   )
       ( resid 74   and name HN  )  8.9046  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 74   and name C   )
       ( resid 75   and name HN  )  -22.1850  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 76   and name C   )
       ( resid 77   and name HN  )  9.7614  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 78   and name C   )
       ( resid 79   and name HN  )  10.0368  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 79   and name C   )
       ( resid 80   and name HN  )  -13.9230  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 80   and name C   )
       ( resid 81   and name HN  )  -6.4872  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 81   and name C   )
       ( resid 82   and name HN  )  -0.5508  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 82   and name C   )
       ( resid 83   and name HN  )  13.0662  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 84   and name C   )
       ( resid 85   and name HN  )  -1.5606  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 88   and name C   )
       ( resid 89   and name HN  )  1.5300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 89   and name C   )
       ( resid 90   and name HN  )  9.3636  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 91   and name C   )
       ( resid 92   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 92   and name C   )
       ( resid 93   and name HN  )  -25.2450  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 93   and name C   )
       ( resid 94   and name HN  )  7.8336  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 94   and name C   )
       ( resid 95   and name HN  )  10.1286  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 95   and name C   )
       ( resid 96   and name HN  )  -18.9414  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 96   and name C   )
       ( resid 97   and name HN  )  -12.2706  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 99   and name C   )
       ( resid 100  and name HN  )  -28.5498  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 100  and name C   )
       ( resid 101  and name HN  )  4.1922  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 101  and name C   )
       ( resid 102  and name HN  )  7.8030  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 102  and name C   )
       ( resid 103  and name HN  )  -6.3342  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 103  and name C   )
       ( resid 104  and name HN  )  -19.4616  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 104  and name C   )
       ( resid 105  and name HN  )  15.3000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 105  and name C   )
       ( resid 106  and name HN  )  11.1690  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 108  and name C   )
       ( resid 109  and name HN  )  6.3036  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 109  and name C   )
       ( resid 110  and name HN  )  15.9426  0.2000



-----------------------------------------------------------------------
  Entry H atom name         Submitted Coord H atom name
    1    H    SER 375           HN       SER 375 313.941 207.258 161.286
    2    HA   SER 375           HA       SER 375 313.916 206.766 163.717
    3   1HB   SER 375          HB2       SER 375 316.158 206.193 161.929
    4   2HB   SER 375          HB1       SER 375 316.614 206.137 163.630
    5    HG   SER 375           HG       SER 375 314.226 204.989 163.324
    6    H    HIS 376           HN       HIS 376 313.567 208.763 164.799
    7    HA   HIS 376           HA       HIS 376 316.008 210.211 165.642
    8   1HB   HIS 376          HB2       HIS 376 313.376 211.041 164.769
    9   2HB   HIS 376          HB1       HIS 376 313.674 211.642 166.392
   10    HD1  HIS 376           HD1      HIS 376 315.811 213.151 166.730
   11    HD2  HIS 376           HD2      HIS 376 314.803 212.367 162.763
   12    HE1  HIS 376           HE1      HIS 376 317.036 214.867 165.330
   13    H    VAL 377           HN       VAL 377 316.662 209.982 167.764
   14    HA   VAL 377           HA       VAL 377 315.169 208.500 169.661
   15    HB   VAL 377           HB       VAL 377 317.442 210.459 170.076
   16   1HG1  VAL 377          HG11      VAL 377 316.143 208.380 171.844
   17   2HG1  VAL 377          HG12      VAL 377 316.405 210.090 172.186
   18   3HG1  VAL 377          HG13      VAL 377 317.774 208.979 172.144
   19   1HG2  VAL 377          HG21      VAL 377 317.772 207.484 170.128
   20   2HG2  VAL 377          HG22      VAL 377 318.926 208.733 169.661
   21   3HG2  VAL 377          HG23      VAL 377 317.634 208.271 168.555
   22    H    ARG 378           HN       ARG 378 313.281 209.212 170.496
   23    HA   ARG 378           HA       ARG 378 313.231 211.910 171.653
   24   1HB   ARG 378          HB2       ARG 378 310.619 211.497 170.560
   25   2HB   ARG 378          HB1       ARG 378 311.783 212.753 170.147
   26   1HG   ARG 378          HG2       ARG 378 312.877 211.148 168.583
   27   2HG   ARG 378          HG1       ARG 378 311.582 209.998 168.910
   28   1HD   ARG 378          HD2       ARG 378 310.696 212.718 168.140
   29   2HD   ARG 378          HD1       ARG 378 311.534 211.834 166.888
   30    HE   ARG 378           HE       ARG 378 309.642 210.090 167.976
   31   1HH1  ARG 378          HH21      ARG 378 309.817 213.137 166.368
   32   2HH1  ARG 378          HH22      ARG 378 308.254 213.012 165.632
   33   1HH2  ARG 378          HH11      ARG 378 307.566 209.897 167.005
   34   2HH2  ARG 378          HH12      ARG 378 306.979 211.176 165.994
   35    H    LYS 379           HN       LYS 379 312.696 208.657 172.001
   36    HA   LYS 379           HA       LYS 379 310.519 209.084 173.941
   37   1HB   LYS 379          HB2       LYS 379 310.509 207.442 171.813
   38   2HB   LYS 379          HB1       LYS 379 311.208 206.349 173.008
   39   1HG   LYS 379          HG2       LYS 379 309.330 206.665 174.497
   40   2HG   LYS 379          HG1       LYS 379 308.671 207.939 173.472
   41   1HD   LYS 379          HD2       LYS 379 308.281 206.355 171.669
   42   2HD   LYS 379          HD1       LYS 379 309.029 205.061 172.608
   43   1HE   LYS 379          HE2       LYS 379 307.237 204.878 174.048
   44   2HE   LYS 379          HE1       LYS 379 306.789 206.576 173.886
   45   1HZ   LYS 379          HZ1       LYS 379 306.573 205.039 171.453
   46   2HZ   LYS 379          HZ2       LYS 379 305.488 206.148 172.144
   47   3HZ   LYS 379          HZ3       LYS 379 305.520 204.539 172.685
   48    H    ILE 380           HN       ILE 380 310.929 208.976 175.951
   49    HA   ILE 380           HA       ILE 380 313.161 207.306 176.930
   50    HB   ILE 380           HB       ILE 380 312.290 210.044 177.893
   51   1HG1  ILE 380          HG12      ILE 380 315.033 209.198 176.979
   52   2HG1  ILE 380          HG11      ILE 380 313.811 209.734 175.832
   53   1HG2  ILE 380          HG21      ILE 380 314.122 209.795 179.528
   54   2HG2  ILE 380          HG22      ILE 380 314.320 208.117 179.019
   55   3HG2  ILE 380          HG23      ILE 380 312.820 208.638 179.789
   56   1HD1  ILE 380          HD11      ILE 380 313.760 211.855 176.660
   57   2HD1  ILE 380          HD12      ILE 380 315.460 211.441 176.850
   58   3HD1  ILE 380          HD13      ILE 380 314.377 211.389 178.246
   59    H    ILE 381           HN       ILE 381 312.540 205.831 178.307
   60    HA   ILE 381           HA       ILE 381 310.086 206.234 179.885
   61    HB   ILE 381           HB       ILE 381 309.725 204.800 177.808
   62   1HG1  ILE 381          HG12      ILE 381 309.250 203.355 180.425
   63   2HG1  ILE 381          HG11      ILE 381 308.345 204.794 179.965
   64   1HG2  ILE 381          HG21      ILE 381 310.973 202.539 179.312
   65   2HG2  ILE 381          HG22      ILE 381 312.052 203.616 178.424
   66   3HG2  ILE 381          HG23      ILE 381 310.768 202.759 177.574
   67   1HD1  ILE 381          HD11      ILE 381 306.968 203.540 178.713
   68   2HD1  ILE 381          HD12      ILE 381 307.864 202.096 179.177
   69   3HD1  ILE 381          HD13      ILE 381 308.328 202.991 177.731
   70    H    VAL 382           HN       VAL 382 310.161 205.526 181.956
   71    HA   VAL 382           HA       VAL 382 312.728 204.358 182.823
   72    HB   VAL 382           HB       VAL 382 310.647 205.956 184.333
   73   1HG1  VAL 382          HG11      VAL 382 311.607 204.224 185.780
   74   2HG1  VAL 382          HG12      VAL 382 312.242 205.802 186.234
   75   3HG1  VAL 382          HG13      VAL 382 313.235 204.693 185.290
   76   1HG2  VAL 382          HG21      VAL 382 312.727 206.833 182.693
   77   2HG2  VAL 382          HG22      VAL 382 313.438 206.892 184.305
   78   3HG2  VAL 382          HG23      VAL 382 311.954 207.779 183.964
   79    H    ALA 383           HN       ALA 383 312.722 202.346 183.677
   80    HA   ALA 383           HA       ALA 383 310.118 201.205 184.486
   81   1HB   ALA 383          HB1       ALA 383 310.236 200.189 182.439
   82   2HB   ALA 383          HB2       ALA 383 311.184 199.041 183.374
   83   3HB   ALA 383          HB3       ALA 383 311.997 200.249 182.382
   84    H    CYS 384           HN       CYS 384 310.145 199.724 186.099
   85    HA   CYS 384           HA       CYS 384 312.669 198.774 187.205
   86   1HB   CYS 384          HB2       CYS 384 312.408 199.690 189.357
   87   2HB   CYS 384          HB1       CYS 384 312.011 201.032 188.289
   88    HG   CYS 384           HG       CYS 384 309.741 201.073 189.259
   89    H    ASP 385           HN       ASP 385 311.936 197.250 189.303
   90    HA   ASP 385           HA       ASP 385 310.289 195.303 188.096
   91   1HB   ASP 385          HB2       ASP 385 310.879 193.936 189.871
   92   2HB   ASP 385          HB1       ASP 385 312.224 195.066 189.832
   93    H    ALA 386           HN       ALA 386 309.605 197.971 190.186
   94    HA   ALA 386           HA       ALA 386 306.997 196.867 190.944
   95   1HB   ALA 386          HB1       ALA 386 308.142 197.963 192.734
   96   2HB   ALA 386          HB2       ALA 386 306.832 199.036 192.243
   97   3HB   ALA 386          HB3       ALA 386 308.486 199.375 191.734
   98    H    GLY 387           HN       GLY 387 308.398 199.037 188.669
   99   1HA   GLY 387          HA2       GLY 387 307.526 200.340 186.988
  100   2HA   GLY 387          HA1       GLY 387 306.082 199.341 187.128
  101    H    MET 388           HN       MET 388 307.119 200.956 189.989
  102    HA   MET 388           HA       MET 388 305.381 203.254 189.510
  103   1HB   MET 388          HB2       MET 388 304.213 201.048 190.576
  104   2HB   MET 388          HB1       MET 388 304.784 201.827 192.048
  105   1HG   MET 388          HG2       MET 388 303.708 203.982 190.803
  106   2HG   MET 388          HG1       MET 388 302.699 202.715 190.109
  107   1HE   MET 388          HE1       MET 388 300.319 201.979 191.662
  108   2HE   MET 388          HE2       MET 388 301.075 200.936 192.864
  109   3HE   MET 388          HE3       MET 388 301.713 200.981 191.222
  110    H    GLY 389           HN       GLY 389 306.750 201.625 192.376
  111   1HA   GLY 389          HA2       GLY 389 307.313 203.566 194.069
  112   2HA   GLY 389          HA1       GLY 389 308.523 202.333 193.743
  113    H    SER 390           HN       SER 390 310.408 202.915 192.842
  114    HA   SER 390           HA       SER 390 311.164 205.626 192.742
  115   1HB   SER 390          HB2       SER 390 313.245 204.812 191.778
  116   2HB   SER 390          HB1       SER 390 312.756 203.777 193.115
  117    HG   SER 390           HG       SER 390 312.588 202.191 191.747
  118    H    SER 391           HN       SER 391 309.526 203.685 190.496
  119    HA   SER 391           HA       SER 391 310.442 204.704 188.053
  120   1HB   SER 391          HB2       SER 391 307.683 203.732 188.826
  121   2HB   SER 391          HB1       SER 391 308.236 203.987 187.174
  122    HG   SER 391           HG       SER 391 309.550 202.293 187.339
  123    H    ALA 392           HN       ALA 392 307.908 205.876 190.269
  124    HA   ALA 392           HA       ALA 392 306.866 207.861 188.598
  125   1HB   ALA 392          HB1       ALA 392 306.939 208.176 191.574
  126   2HB   ALA 392          HB2       ALA 392 306.010 206.864 190.850
  127   3HB   ALA 392          HB3       ALA 392 305.635 208.538 190.444
  128    H    MET 393           HN       MET 393 309.343 208.180 191.182
  129    HA   MET 393           HA       MET 393 309.595 210.975 190.904
  130   1HB   MET 393          HB2       MET 393 311.397 208.860 192.085
  131   2HB   MET 393          HB1       MET 393 311.838 210.566 192.080
  132   1HG   MET 393          HG2       MET 393 309.239 210.660 193.046
  133   2HG   MET 393          HG1       MET 393 309.824 209.145 193.717
  134   1HE   MET 393          HE1       MET 393 310.294 209.508 196.282
  135   2HE   MET 393          HE2       MET 393 311.999 209.912 196.474
  136   3HE   MET 393          HE3       MET 393 311.507 208.765 195.230
  137    H    GLY 394           HN       GLY 394 311.577 208.345 189.564
  138   1HA   GLY 394          HA2       GLY 394 313.508 209.921 188.328
  139   2HA   GLY 394          HA1       GLY 394 313.012 208.331 187.751
  140    H    ALA 395           HN       ALA 395 310.431 208.734 187.025
  141    HA   ALA 395           HA       ALA 395 310.638 209.832 184.454
  142   1HB   ALA 395          HB1       ALA 395 308.133 209.665 184.463
  143   2HB   ALA 395          HB2       ALA 395 308.237 209.202 186.164
  144   3HB   ALA 395          HB3       ALA 395 308.981 208.194 184.927
  145    H    GLY 396           HN       GLY 396 309.102 211.196 187.366
  146   1HA   GLY 396          HA2       GLY 396 308.050 213.499 186.185
  147   2HA   GLY 396          HA1       GLY 396 308.454 213.335 187.888
  148    H    VAL 397           HN       VAL 397 311.169 213.115 187.890
  149    HA   VAL 397           HA       VAL 397 311.967 215.804 187.613
  150    HB   VAL 397           HB       VAL 397 313.532 213.253 188.003
  151   1HG1  VAL 397          HG11      VAL 397 315.037 214.818 186.954
  152   2HG1  VAL 397          HG12      VAL 397 315.409 214.788 188.675
  153   3HG1  VAL 397          HG13      VAL 397 314.485 216.129 187.997
  154   1HG2  VAL 397          HG21      VAL 397 311.954 214.924 189.726
  155   2HG2  VAL 397          HG22      VAL 397 313.641 215.133 190.190
  156   3HG2  VAL 397          HG23      VAL 397 312.927 213.523 190.170
  157    H    LEU 398           HN       LEU 398 312.828 212.951 185.651
  158    HA   LEU 398           HA       LEU 398 314.470 214.290 183.798
  159   1HB   LEU 398          HB2       LEU 398 312.771 211.806 183.614
  160   2HB   LEU 398          HB1       LEU 398 313.673 212.392 182.219
  161    HG   LEU 398           HG       LEU 398 315.003 211.944 184.892
  162   1HD1  LEU 398          HD11      LEU 398 314.658 209.985 182.602
  163   2HD1  LEU 398          HD12      LEU 398 313.908 209.845 184.191
  164   3HD1  LEU 398          HD13      LEU 398 315.660 209.717 184.027
  165   1HD2  LEU 398          HD21      LEU 398 315.849 213.082 182.448
  166   2HD2  LEU 398          HD22      LEU 398 316.535 211.460 182.442
  167   3HD2  LEU 398          HD23      LEU 398 316.884 212.559 183.770
  168    H    ARG 399           HN       ARG 399 311.028 213.609 183.783
  169    HA   ARG 399           HA       ARG 399 310.355 214.594 181.266
  170   1HB   ARG 399          HB2       ARG 399 308.856 213.330 182.763
  171   2HB   ARG 399          HB1       ARG 399 308.761 214.730 183.828
  172   1HG   ARG 399          HG2       ARG 399 307.854 216.063 181.925
  173   2HG   ARG 399          HG1       ARG 399 307.844 214.592 180.946
  174   1HD   ARG 399          HD2       ARG 399 306.388 213.527 182.659
  175   2HD   ARG 399          HD1       ARG 399 306.383 215.022 183.564
  176    HE   ARG 399           HE       ARG 399 305.591 215.320 180.777
  177   1HH1  ARG 399          HH21      ARG 399 304.565 214.502 183.966
  178   2HH1  ARG 399          HH22      ARG 399 302.877 214.696 183.626
  179   1HH2  ARG 399          HH11      ARG 399 303.386 215.568 180.300
  180   2HH2  ARG 399          HH12      ARG 399 302.209 215.298 181.542
  181    H    LYS 400           HN       LYS 400 310.481 216.278 184.395
  182    HA   LYS 400           HA       LYS 400 309.553 218.761 183.481
  183   1HB   LYS 400          HB2       LYS 400 309.709 218.144 185.869
  184   2HB   LYS 400          HB1       LYS 400 311.470 218.236 185.761
  185   1HG   LYS 400          HG2       LYS 400 311.337 220.589 185.109
  186   2HG   LYS 400          HG1       LYS 400 309.576 220.516 185.128
  187   1HD   LYS 400          HD2       LYS 400 309.627 219.985 187.539
  188   2HD   LYS 400          HD1       LYS 400 311.390 220.081 187.518
  189   1HE   LYS 400          HE2       LYS 400 311.064 222.446 186.539
  190   2HE   LYS 400          HE1       LYS 400 309.390 222.298 187.071
  191   1HZ   LYS 400          HZ1       LYS 400 310.646 221.524 189.265
  192   2HZ   LYS 400          HZ2       LYS 400 310.254 223.148 188.954
  193   3HZ   LYS 400          HZ3       LYS 400 311.823 222.573 188.641
  194    H    LYS 401           HN       LYS 401 312.862 217.508 183.792
  195    HA   LYS 401           HA       LYS 401 314.162 219.903 183.054
  196   1HB   LYS 401          HB2       LYS 401 315.038 217.029 182.716
  197   2HB   LYS 401          HB1       LYS 401 316.063 218.446 182.498
  198   1HG   LYS 401          HG2       LYS 401 315.704 219.129 184.804
  199   2HG   LYS 401          HG1       LYS 401 314.604 217.773 185.056
  200   1HD   LYS 401          HD2       LYS 401 316.429 216.184 184.613
  201   2HD   LYS 401          HD1       LYS 401 317.535 217.524 184.306
  202   1HE   LYS 401          HE2       LYS 401 316.546 218.208 186.776
  203   2HE   LYS 401          HE1       LYS 401 316.557 216.450 186.876
  204   1HZ   LYS 401          HZ1       LYS 401 318.697 216.709 187.376
  205   2HZ   LYS 401          HZ2       LYS 401 318.759 218.296 186.773
  206   3HZ   LYS 401          HZ3       LYS 401 318.925 216.976 185.716
  207    H    ILE 402           HN       ILE 402 312.999 217.167 181.146
  208    HA   ILE 402           HA       ILE 402 314.042 217.943 178.648
  209    HB   ILE 402           HB       ILE 402 311.634 216.307 179.439
  210   1HG1  ILE 402          HG12      ILE 402 314.319 215.473 178.317
  211   2HG1  ILE 402          HG11      ILE 402 313.962 215.527 180.041
  212   1HG2  ILE 402          HG21      ILE 402 312.900 216.629 176.706
  213   2HG2  ILE 402          HG22      ILE 402 311.277 217.152 177.158
  214   3HG2  ILE 402          HG23      ILE 402 311.675 215.438 177.128
  215   1HD1  ILE 402          HD11      ILE 402 313.346 213.452 178.179
  216   2HD1  ILE 402          HD12      ILE 402 311.831 214.134 178.749
  217   3HD1  ILE 402          HD13      ILE 402 313.000 213.500 179.905
  218    H    GLN 403           HN       GLN 403 310.910 218.582 180.181
  219    HA   GLN 403           HA       GLN 403 309.782 220.020 178.018
  220   1HB   GLN 403          HB2       GLN 403 309.176 220.260 180.975
  221   2HB   GLN 403          HB1       GLN 403 308.133 220.781 179.653
  222   1HG   GLN 403          HG2       GLN 403 308.891 218.013 179.234
  223   2HG   GLN 403          HG1       GLN 403 308.247 218.198 180.862
  224   1HE2  GLN 403          HE21      GLN 403 307.042 216.967 178.313
  225   2HE2  GLN 403          HE22      GLN 403 305.535 217.734 178.164
  226    H    ASP 404           HN       ASP 404 311.676 220.979 180.833
  227    HA   ASP 404           HA       ASP 404 311.453 223.772 180.523
  228   1HB   ASP 404          HB2       ASP 404 312.869 221.925 182.194
  229   2HB   ASP 404          HB1       ASP 404 314.039 223.087 181.586
  230    H    ALA 405           HN       ALA 405 313.635 221.393 179.121
  231    HA   ALA 405           HA       ALA 405 315.397 223.298 177.933
  232   1HB   ALA 405          HB1       ALA 405 315.014 220.352 177.816
  233   2HB   ALA 405          HB2       ALA 405 316.472 221.290 178.135
  234   3HB   ALA 405          HB3       ALA 405 315.891 221.101 176.481
  235    H    GLY 406           HN       GLY 406 312.232 222.753 177.220
  236   1HA   GLY 406          HA2       GLY 406 310.968 223.521 175.450
  237   2HA   GLY 406          HA1       GLY 406 312.457 224.073 174.692
  238    H    LEU 407           HN       LEU 407 312.241 220.748 175.671
  239    HA   LEU 407           HA       LEU 407 312.246 219.976 172.831
  240   1HB   LEU 407          HB2       LEU 407 312.907 218.380 175.309
  241   2HB   LEU 407          HB1       LEU 407 313.067 217.792 173.659
  242    HG   LEU 407           HG       LEU 407 314.508 220.272 174.634
  243   1HD1  LEU 407          HD11      LEU 407 315.942 217.659 174.357
  244   2HD1  LEU 407          HD12      LEU 407 315.008 217.922 175.824
  245   3HD1  LEU 407          HD13      LEU 407 316.307 219.032 175.397
  246   1HD2  LEU 407          HD21      LEU 407 314.160 219.423 172.082
  247   2HD2  LEU 407          HD22      LEU 407 315.569 218.467 172.500
  248   3HD2  LEU 407          HD23      LEU 407 315.631 220.223 172.619
  249    H    SER 408           HN       SER 408 309.823 220.685 173.209
  250    HA   SER 408           HA       SER 408 308.040 218.980 174.530
  251   1HB   SER 408          HB2       SER 408 306.330 220.098 173.359
  252   2HB   SER 408          HB1       SER 408 307.624 221.290 173.448
  253    HG   SER 408           HG       SER 408 306.695 219.785 171.279
  254    H    GLN 409           HN       GLN 409 309.902 218.471 171.709
  255    HA   GLN 409           HA       GLN 409 308.147 216.634 170.396
  256   1HB   GLN 409          HB2       GLN 409 311.134 217.031 170.114
  257   2HB   GLN 409          HB1       GLN 409 310.112 216.116 169.005
  258   1HG   GLN 409          HG2       GLN 409 308.731 218.222 168.707
  259   2HG   GLN 409          HG1       GLN 409 309.984 219.079 169.603
  260   1HE2  GLN 409          HE21      GLN 409 309.330 219.596 166.809
  261   2HE2  GLN 409          HE22      GLN 409 310.703 219.200 165.893
  262    H    ILE 410           HN       ILE 410 310.408 216.376 172.994
  263    HA   ILE 410           HA       ILE 410 310.635 213.478 172.728
  264    HB   ILE 410           HB       ILE 410 311.681 215.347 174.867
  265   1HG1  ILE 410          HG12      ILE 410 313.124 213.928 172.610
  266   2HG1  ILE 410          HG11      ILE 410 312.656 215.623 172.570
  267   1HG2  ILE 410          HG21      ILE 410 311.397 212.470 174.825
  268   2HG2  ILE 410          HG22      ILE 410 312.128 213.477 176.070
  269   3HG2  ILE 410          HG23      ILE 410 313.112 212.870 174.742
  270   1HD1  ILE 410          HD11      ILE 410 314.736 215.955 173.443
  271   2HD1  ILE 410          HD12      ILE 410 314.855 214.304 174.048
  272   3HD1  ILE 410          HD13      ILE 410 313.964 215.518 174.967
  273    H    SER 411           HN       SER 411 309.463 212.022 173.834
  274    HA   SER 411           HA       SER 411 307.391 213.057 175.673
  275   1HB   SER 411          HB2       SER 411 306.225 211.988 173.981
  276   2HB   SER 411          HB1       SER 411 307.491 210.792 173.719
  277    HG   SER 411           HG       SER 411 305.960 209.709 174.819
  278    H    VAL 412           HN       VAL 412 307.033 212.072 177.656
  279    HA   VAL 412           HA       VAL 412 309.016 210.048 178.505
  280    HB   VAL 412           HB       VAL 412 308.333 212.674 179.795
  281   1HG1  VAL 412          HG11      VAL 412 308.050 211.419 181.726
  282   2HG1  VAL 412          HG12      VAL 412 309.808 211.549 181.729
  283   3HG1  VAL 412          HG13      VAL 412 309.035 210.083 181.131
  284   1HG2  VAL 412          HG21      VAL 412 310.309 212.544 178.368
  285   2HG2  VAL 412          HG22      VAL 412 310.877 211.129 179.253
  286   3HG2  VAL 412          HG23      VAL 412 310.805 212.692 180.056
  287    H    THR 413           HN       THR 413 308.243 208.369 179.468
  288    HA   THR 413           HA       THR 413 305.842 208.569 181.129
  289    HB   THR 413           HB       THR 413 304.565 206.928 180.033
  290    HG1  THR 413           HG1      THR 413 306.667 206.443 178.219
  291   1HG2  THR 413          HG21      THR 413 305.894 208.515 177.821
  292   2HG2  THR 413          HG22      THR 413 304.614 209.128 178.869
  293   3HG2  THR 413          HG23      THR 413 304.288 207.788 177.770
  294    H    ASN 414           HN       ASN 414 305.418 206.317 182.176
  295    HA   ASN 414           HA       ASN 414 307.948 204.855 182.556
  296   1HB   ASN 414          HB2       ASN 414 307.628 204.816 184.972
  297   2HB   ASN 414          HB1       ASN 414 307.747 206.472 184.401
  298   1HD2  ASN 414          HD21      ASN 414 306.556 206.536 186.728
  299   2HD2  ASN 414          HD22      ASN 414 304.862 206.587 186.632
  300    H    SER 415           HN       SER 415 307.678 202.700 183.265
  301    HA   SER 415           HA       SER 415 305.090 201.572 183.706
  302   1HB   SER 415          HB2       SER 415 304.480 201.218 181.564
  303   2HB   SER 415          HB1       SER 415 306.027 201.819 180.977
  304    HG   SER 415           HG       SER 415 305.928 199.288 182.164
  305    H    ALA 416           HN       ALA 416 305.232 199.163 183.856
  306    HA   ALA 416           HA       ALA 416 307.470 198.415 185.421
  307   1HB   ALA 416          HB1       ALA 416 306.046 196.776 186.026
  308   2HB   ALA 416          HB2       ALA 416 306.064 196.105 184.396
  309   3HB   ALA 416          HB3       ALA 416 304.909 197.367 184.817
  310    H    ILE 417           HN       ILE 417 309.081 196.798 184.982
  311    HA   ILE 417           HA       ILE 417 310.393 197.083 182.509
  312    HB   ILE 417           HB       ILE 417 310.644 194.939 184.632
  313   1HG1  ILE 417          HG12      ILE 417 312.429 197.285 183.948
  314   2HG1  ILE 417          HG11      ILE 417 311.208 197.329 185.218
  315   1HG2  ILE 417          HG21      ILE 417 312.750 194.318 183.595
  316   2HG2  ILE 417          HG22      ILE 417 312.568 195.568 182.369
  317   3HG2  ILE 417          HG23      ILE 417 311.491 194.173 182.375
  318   1HD1  ILE 417          HD11      ILE 417 313.804 195.905 185.112
  319   2HD1  ILE 417          HD12      ILE 417 312.490 195.060 185.924
  320   3HD1  ILE 417          HD13      ILE 417 313.000 196.649 186.490
  321    H    ASN 418           HN       ASN 418 308.228 194.533 183.724
  322    HA   ASN 418           HA       ASN 418 308.457 192.731 181.630
  323   1HB   ASN 418          HB2       ASN 418 306.292 193.426 183.567
  324   2HB   ASN 418          HB1       ASN 418 305.859 192.412 182.195
  325   1HD2  ASN 418          HD21      ASN 418 308.563 191.090 182.102
  326   2HD2  ASN 418          HD22      ASN 418 308.593 190.047 183.439
  327    H    ASN 419           HN       ASN 419 307.133 195.914 181.630
  328    HA   ASN 419           HA       ASN 419 305.954 195.446 178.968
  329   1HB   ASN 419          HB2       ASN 419 304.813 196.548 181.366
  330   2HB   ASN 419          HB1       ASN 419 304.875 197.815 180.149
  331   1HD2  ASN 419          HD21      ASN 419 302.386 196.817 181.003
  332   2HD2  ASN 419          HD22      ASN 419 301.673 195.933 179.741
  333    H    LEU 420           HN       LEU 420 307.676 196.080 177.693
  334    HA   LEU 420           HA       LEU 420 308.236 198.956 177.747
  335   1HB   LEU 420          HB2       LEU 420 310.393 196.860 177.523
  336   2HB   LEU 420          HB1       LEU 420 310.627 198.569 177.206
  337    HG   LEU 420           HG       LEU 420 309.638 197.459 179.848
  338   1HD1  LEU 420          HD11      LEU 420 312.341 198.704 179.522
  339   2HD1  LEU 420          HD12      LEU 420 312.138 197.038 178.993
  340   3HD1  LEU 420          HD13      LEU 420 311.804 197.478 180.666
  341   1HD2  LEU 420          HD21      LEU 420 310.730 199.987 180.244
  342   2HD2  LEU 420          HD22      LEU 420 309.011 199.629 180.111
  343   3HD2  LEU 420          HD23      LEU 420 309.913 200.158 178.692
  344    HA   PRO 421           HA       PRO 421 306.972 197.827 173.576
  345   1HB   PRO 421          HB2       PRO 421 307.393 200.511 172.636
  346   2HB   PRO 421          HB1       PRO 421 305.860 199.698 172.976
  347   1HG   PRO 421          HG2       PRO 421 307.163 201.743 174.496
  348   2HG   PRO 421          HG1       PRO 421 305.604 200.970 174.801
  349   1HD   PRO 421          HD2       PRO 421 308.050 200.623 176.254
  350   2HD   PRO 421          HD1       PRO 421 306.494 199.817 176.539
  351    HA   PRO 422           HA       PRO 422 311.095 197.229 171.961
  352   1HB   PRO 422          HB2       PRO 422 310.248 196.716 169.282
  353   2HB   PRO 422          HB1       PRO 422 310.642 195.532 170.534
  354   1HG   PRO 422          HG2       PRO 422 308.054 196.297 169.501
  355   2HG   PRO 422          HG1       PRO 422 308.476 194.960 170.576
  356   1HD   PRO 422          HD2       PRO 422 307.106 197.341 171.287
  357   2HD   PRO 422          HD1       PRO 422 307.720 196.090 172.386
  358    H    ASP 423           HN       ASP 423 308.869 199.572 170.699
  359    HA   ASP 423           HA       ASP 423 310.727 200.701 168.795
  360   1HB   ASP 423          HB2       ASP 423 308.257 202.047 169.874
  361   2HB   ASP 423          HB1       ASP 423 309.046 202.296 168.319
  362    H    VAL 424           HN       VAL 424 310.575 200.860 172.158
  363    HA   VAL 424           HA       VAL 424 311.024 203.603 172.626
  364    HB   VAL 424           HB       VAL 424 310.432 201.894 174.367
  365   1HG1  VAL 424          HG11      VAL 424 311.998 200.127 173.708
  366   2HG1  VAL 424          HG12      VAL 424 312.296 200.608 175.377
  367   3HG1  VAL 424          HG13      VAL 424 313.369 201.167 174.098
  368   1HG2  VAL 424          HG21      VAL 424 312.541 203.977 174.591
  369   2HG2  VAL 424          HG22      VAL 424 312.438 202.854 175.946
  370   3HG2  VAL 424          HG23      VAL 424 311.028 203.801 175.479
  371    H    ASP 425           HN       ASP 425 312.819 204.840 172.643
  372    HA   ASP 425           HA       ASP 425 315.182 203.729 171.308
  373   1HB   ASP 425          HB2       ASP 425 314.261 206.548 171.862
  374   2HB   ASP 425          HB1       ASP 425 315.845 206.172 171.184
  375    H    LEU 426           HN       LEU 426 314.267 205.426 174.282
  376    HA   LEU 426           HA       LEU 426 316.898 204.682 175.418
  377   1HB   LEU 426          HB2       LEU 426 315.245 207.163 175.944
  378   2HB   LEU 426          HB1       LEU 426 316.654 206.698 176.890
  379    HG   LEU 426           HG       LEU 426 316.827 207.016 173.895
  380   1HD1  LEU 426          HD11      LEU 426 317.098 209.126 176.057
  381   2HD1  LEU 426          HD12      LEU 426 315.939 209.122 174.729
  382   3HD1  LEU 426          HD13      LEU 426 317.657 209.340 174.398
  383   1HD2  LEU 426          HD21      LEU 426 318.973 207.638 175.912
  384   2HD2  LEU 426          HD22      LEU 426 319.134 207.073 174.255
  385   3HD2  LEU 426          HD23      LEU 426 318.648 205.955 175.518
  386    H    VAL 427           HN       VAL 427 316.894 203.570 177.237
  387    HA   VAL 427           HA       VAL 427 314.381 203.398 178.792
  388    HB   VAL 427           HB       VAL 427 316.361 201.218 178.108
  389   1HG1  VAL 427          HG11      VAL 427 314.683 199.873 179.556
  390   2HG1  VAL 427          HG12      VAL 427 314.257 201.431 180.250
  391   3HG1  VAL 427          HG13      VAL 427 315.910 200.828 180.382
  392   1HG2  VAL 427          HG21      VAL 427 314.480 201.792 176.502
  393   2HG2  VAL 427          HG22      VAL 427 313.350 201.342 177.779
  394   3HG2  VAL 427          HG23      VAL 427 314.450 200.137 177.109
  395    H    ILE 428           HN       ILE 428 314.609 203.982 180.867
  396    HA   ILE 428           HA       ILE 428 317.354 204.146 181.987
  397    HB   ILE 428           HB       ILE 428 314.964 205.939 182.494
  398   1HG1  ILE 428          HG12      ILE 428 317.606 206.603 181.177
  399   2HG1  ILE 428          HG11      ILE 428 316.172 206.156 180.261
  400   1HG2  ILE 428          HG21      ILE 428 316.203 205.895 184.507
  401   2HG2  ILE 428          HG22      ILE 428 316.830 207.304 183.652
  402   3HG2  ILE 428          HG23      ILE 428 317.745 205.796 183.657
  403   1HD1  ILE 428          HD11      ILE 428 314.972 208.020 181.539
  404   2HD1  ILE 428          HD12      ILE 428 316.152 208.531 180.333
  405   3HD1  ILE 428          HD13      ILE 428 316.573 208.558 182.046
  406    H    THR 429           HN       THR 429 317.637 202.668 183.582
  407    HA   THR 429           HA       THR 429 315.462 202.318 185.546
  408    HB   THR 429           HB       THR 429 315.347 200.002 185.427
  409    HG1  THR 429           HG1      THR 429 317.243 199.212 183.811
  410   1HG2  THR 429          HG21      THR 429 314.817 201.269 183.095
  411   2HG2  THR 429          HG22      THR 429 314.605 199.542 183.316
  412   3HG2  THR 429          HG23      THR 429 316.069 200.156 182.553
  413    H    HIS 430           HN       HIS 430 316.275 200.907 187.415
  414    HA   HIS 430           HA       HIS 430 318.746 202.021 188.380
  415   1HB   HIS 430          HB2       HIS 430 316.760 201.464 189.839
  416   2HB   HIS 430          HB1       HIS 430 317.143 199.760 189.595
  417    HD1  HIS 430           HD1      HIS 430 319.491 198.935 190.513
  418    HD2  HIS 430           HD2      HIS 430 318.421 202.787 191.682
  419    HE1  HIS 430           HE1      HIS 430 321.041 199.559 192.415
  420    H    ARG 431           HN       ARG 431 320.709 201.094 188.452
  421    HA   ARG 431           HA       ARG 431 321.609 199.341 186.604
  422   1HB   ARG 431          HB2       ARG 431 323.016 200.698 188.132
  423   2HB   ARG 431          HB1       ARG 431 322.702 199.519 189.407
  424   1HG   ARG 431          HG2       ARG 431 323.658 197.739 187.985
  425   2HG   ARG 431          HG1       ARG 431 324.006 198.937 186.736
  426   1HD   ARG 431          HD2       ARG 431 325.308 200.205 188.536
  427   2HD   ARG 431          HD1       ARG 431 325.185 198.737 189.504
  428    HE   ARG 431           HE       ARG 431 326.160 197.883 187.087
  429   1HH1  ARG 431          HH21      ARG 431 327.016 200.177 189.524
  430   2HH1  ARG 431          HH22      ARG 431 328.709 200.156 189.154
  431   1HH2  ARG 431          HH11      ARG 431 328.378 197.860 186.567
  432   2HH2  ARG 431          HH12      ARG 431 329.480 198.842 187.473
  433    H    ASP 432           HN       ASP 432 320.178 198.449 189.713
  434    HA   ASP 432           HA       ASP 432 320.971 195.754 189.649
  435   1HB   ASP 432          HB2       ASP 432 319.018 197.380 191.161
  436   2HB   ASP 432          HB1       ASP 432 318.608 195.675 191.043
  437    H    LEU 433           HN       LEU 433 318.515 197.435 187.858
  438    HA   LEU 433           HA       LEU 433 317.445 194.825 186.968
  439   1HB   LEU 433          HB2       LEU 433 315.986 197.471 187.002
  440   2HB   LEU 433          HB1       LEU 433 315.323 195.881 186.651
  441    HG   LEU 433           HG       LEU 433 316.601 196.555 189.302
  442   1HD1  LEU 433          HD11      LEU 433 314.576 197.982 188.729
  443   2HD1  LEU 433          HD12      LEU 433 314.421 197.005 190.188
  444   3HD1  LEU 433          HD13      LEU 433 313.637 196.490 188.695
  445   1HD2  LEU 433          HD21      LEU 433 315.672 194.112 188.107
  446   2HD2  LEU 433          HD22      LEU 433 314.555 194.524 189.402
  447   3HD2  LEU 433          HD23      LEU 433 316.276 194.360 189.742
  448    H    THR 434           HN       THR 434 319.442 197.242 185.975
  449    HA   THR 434           HA       THR 434 318.456 197.873 183.399
  450    HB   THR 434           HB       THR 434 320.986 198.212 182.899
  451    HG1  THR 434           HG1      THR 434 322.071 197.233 184.421
  452   1HG2  THR 434          HG21      THR 434 319.228 199.959 183.579
  453   2HG2  THR 434          HG22      THR 434 320.913 200.358 183.888
  454   3HG2  THR 434          HG23      THR 434 319.884 199.811 185.209
  455    H    GLU 435           HN       GLU 435 320.270 195.106 184.605
  456    HA   GLU 435           HA       GLU 435 321.081 194.002 182.148
  457   1HB   GLU 435          HB2       GLU 435 320.325 192.744 184.785
  458   2HB   GLU 435          HB1       GLU 435 320.845 191.779 183.405
  459   1HG   GLU 435          HG2       GLU 435 322.964 192.991 183.311
  460   2HG   GLU 435          HG1       GLU 435 322.445 194.049 184.623
  461    H    ARG 436           HN       ARG 436 318.063 193.676 183.977
  462    HA   ARG 436           HA       ARG 436 316.789 191.815 182.302
  463   1HB   ARG 436          HB2       ARG 436 315.902 193.817 184.319
  464   2HB   ARG 436          HB1       ARG 436 314.676 193.160 183.240
  465   1HG   ARG 436          HG2       ARG 436 315.370 190.869 183.878
  466   2HG   ARG 436          HG1       ARG 436 316.531 191.560 185.018
  467   1HD   ARG 436          HD2       ARG 436 314.739 192.655 186.240
  468   2HD   ARG 436          HD1       ARG 436 313.560 192.145 185.045
  469    HE   ARG 436           HE       ARG 436 314.794 189.832 186.000
  470   1HH1  ARG 436          HH21      ARG 436 312.935 192.483 187.213
  471   2HH1  ARG 436          HH22      ARG 436 312.226 191.574 188.506
  472   1HH2  ARG 436          HH11      ARG 436 313.869 188.629 187.685
  473   2HH2  ARG 436          HH12      ARG 436 312.757 189.388 188.773
  474    H    ALA 437           HN       ALA 437 316.635 195.402 182.277
  475    HA   ALA 437           HA       ALA 437 314.788 195.541 180.156
  476   1HB   ALA 437          HB1       ALA 437 315.525 197.365 181.815
  477   2HB   ALA 437          HB2       ALA 437 315.208 197.835 180.150
  478   3HB   ALA 437          HB3       ALA 437 316.868 197.640 180.702
  479    H    MET 438           HN       MET 438 318.325 195.582 180.221
  480    HA   MET 438           HA       MET 438 318.849 196.120 177.540
  481   1HB   MET 438          HB2       MET 438 320.239 194.371 179.572
  482   2HB   MET 438          HB1       MET 438 320.873 194.584 177.943
  483   1HG   MET 438          HG2       MET 438 321.065 196.982 178.280
  484   2HG   MET 438          HG1       MET 438 320.294 196.854 179.864
  485   1HE   MET 438          HE1       MET 438 323.213 198.031 180.945
  486   2HE   MET 438          HE2       MET 438 322.570 198.313 179.330
  487   3HE   MET 438          HE3       MET 438 324.196 197.663 179.522
  488    H    ARG 439           HN       ARG 439 318.058 193.139 179.208
  489    HA   ARG 439           HA       ARG 439 318.509 191.348 177.126
  490   1HB   ARG 439          HB2       ARG 439 317.877 191.202 179.760
  491   2HB   ARG 439          HB1       ARG 439 316.329 190.752 179.048
  492   1HG   ARG 439          HG2       ARG 439 317.412 189.016 177.721
  493   2HG   ARG 439          HG1       ARG 439 318.988 189.496 178.349
  494   1HD   ARG 439          HD2       ARG 439 317.480 189.079 180.648
  495   2HD   ARG 439          HD1       ARG 439 316.925 187.815 179.571
  496    HE   ARG 439           HE       ARG 439 319.839 188.332 179.737
  497   1HH1  ARG 439          HH21      ARG 439 317.157 186.454 180.804
  498   2HH1  ARG 439          HH22      ARG 439 318.141 185.208 181.498
  499   1HH2  ARG 439          HH11      ARG 439 321.136 186.750 180.636
  500   2HH2  ARG 439          HH12      ARG 439 320.408 185.378 181.404
  501    H    GLN 440           HN       GLN 440 315.514 192.928 178.177
  502    HA   GLN 440           HA       GLN 440 313.793 191.655 176.355
  503   1HB   GLN 440          HB2       GLN 440 313.187 193.053 178.378
  504   2HB   GLN 440          HB1       GLN 440 313.547 194.476 177.407
  505   1HG   GLN 440          HG2       GLN 440 311.816 193.887 175.811
  506   2HG   GLN 440          HG1       GLN 440 311.514 192.361 176.654
  507   1HE2  GLN 440          HE21      GLN 440 309.359 192.859 177.430
  508   2HE2  GLN 440          HE22      GLN 440 309.065 194.120 178.527
  509    H    VAL 441           HN       VAL 441 315.671 194.646 176.197
  510    HA   VAL 441           HA       VAL 441 315.680 194.444 173.282
  511    HB   VAL 441           HB       VAL 441 315.513 197.025 173.313
  512   1HG1  VAL 441          HG11      VAL 441 313.341 194.992 173.536
  513   2HG1  VAL 441          HG12      VAL 441 313.746 196.069 172.200
  514   3HG1  VAL 441          HG13      VAL 441 312.866 196.691 173.595
  515   1HG2  VAL 441          HG21      VAL 441 314.966 198.075 175.252
  516   2HG2  VAL 441          HG22      VAL 441 315.289 196.560 176.086
  517   3HG2  VAL 441          HG23      VAL 441 313.650 196.949 175.570
  518    HA   PRO 442           HA       PRO 442 319.828 195.326 175.040
  519   1HB   PRO 442          HB2       PRO 442 321.187 193.507 173.511
  520   2HB   PRO 442          HB1       PRO 442 320.426 193.100 175.059
  521   1HG   PRO 442          HG2       PRO 442 319.565 192.460 172.313
  522   2HG   PRO 442          HG1       PRO 442 319.249 191.602 173.828
  523   1HD   PRO 442          HD2       PRO 442 317.446 193.295 172.464
  524   2HD   PRO 442          HD1       PRO 442 317.254 192.674 174.116
  525    H    GLN 443           HN       GLN 443 318.216 195.579 172.145
  526    HA   GLN 443           HA       GLN 443 320.387 196.741 170.594
  527   1HB   GLN 443          HB2       GLN 443 317.437 196.425 169.979
  528   2HB   GLN 443          HB1       GLN 443 318.702 196.873 168.832
  529   1HG   GLN 443          HG2       GLN 443 319.842 194.673 169.418
  530   2HG   GLN 443          HG1       GLN 443 318.368 194.238 170.279
  531   1HE2  GLN 443          HE21      GLN 443 318.803 192.515 168.300
  532   2HE2  GLN 443          HE22      GLN 443 317.879 192.852 166.916
  533    H    ALA 444           HN       ALA 444 318.180 197.653 172.948
  534    HA   ALA 444           HA       ALA 444 317.719 200.355 171.938
  535   1HB   ALA 444          HB1       ALA 444 316.902 199.031 174.534
  536   2HB   ALA 444          HB2       ALA 444 315.882 199.253 173.112
  537   3HB   ALA 444          HB3       ALA 444 316.431 200.653 174.029
  538    H    GLN 445           HN       GLN 445 318.077 202.160 173.570
  539    HA   GLN 445           HA       GLN 445 320.824 201.914 174.588
  540   1HB   GLN 445          HB2       GLN 445 319.080 204.291 173.963
  541   2HB   GLN 445          HB1       GLN 445 320.575 204.440 174.893
  542   1HG   GLN 445          HG2       GLN 445 321.788 203.279 173.039
  543   2HG   GLN 445          HG1       GLN 445 320.297 203.288 172.103
  544   1HE2  GLN 445          HE21      GLN 445 322.229 204.587 170.812
  545   2HE2  GLN 445          HE22      GLN 445 322.111 206.272 170.975
  546    H    HIS 446           HN       HIS 446 321.205 201.640 176.650
  547    HA   HIS 446           HA       HIS 446 319.010 202.127 178.569
  548   1HB   HIS 446          HB2       HIS 446 321.209 200.046 178.626
  549   2HB   HIS 446          HB1       HIS 446 319.996 200.284 179.886
  550    HD1  HIS 446           HD1      HIS 446 317.453 199.884 179.148
  551    HD2  HIS 446           HD2      HIS 446 320.328 198.551 176.441
  552    HE1  HIS 446           HE1      HIS 446 316.255 198.349 177.528
  553    H    ILE 447           HN       ILE 447 319.396 203.249 180.340
  554    HA   ILE 447           HA       ILE 447 322.168 204.105 180.913
  555    HB   ILE 447           HB       ILE 447 319.629 205.715 181.212
  556   1HG1  ILE 447          HG12      ILE 447 320.323 205.564 178.870
  557   2HG1  ILE 447          HG11      ILE 447 320.657 207.183 179.484
  558   1HG2  ILE 447          HG21      ILE 447 321.286 207.548 181.725
  559   2HG2  ILE 447          HG22      ILE 447 322.507 206.288 181.902
  560   3HG2  ILE 447          HG23      ILE 447 321.106 206.322 182.976
  561   1HD1  ILE 447          HD11      ILE 447 323.021 206.040 180.072
  562   2HD1  ILE 447          HD12      ILE 447 322.695 206.755 178.497
  563   3HD1  ILE 447          HD13      ILE 447 322.558 205.012 178.717
  564    H    SER 448           HN       SER 448 322.809 203.594 182.904
  565    HA   SER 448           HA       SER 448 320.805 202.455 184.728
  566   1HB   SER 448          HB2       SER 448 322.483 201.107 185.562
  567   2HB   SER 448          HB1       SER 448 323.006 201.293 183.894
  568    HG   SER 448           HG       SER 448 324.459 202.837 184.546
  569    H    LEU 449           HN       LEU 449 320.463 203.144 186.733
  570    HA   LEU 449           HA       LEU 449 321.788 205.645 187.573
  571   1HB   LEU 449          HB2       LEU 449 319.177 204.420 188.504
  572   2HB   LEU 449          HB1       LEU 449 319.838 205.970 189.025
  573    HG   LEU 449           HG       LEU 449 319.131 205.273 186.159
  574   1HD1  LEU 449          HD11      LEU 449 317.197 205.453 187.786
  575   2HD1  LEU 449          HD12      LEU 449 317.161 206.619 186.463
  576   3HD1  LEU 449          HD13      LEU 449 317.691 207.120 188.067
  577   1HD2  LEU 449          HD21      LEU 449 320.535 207.533 187.460
  578   2HD2  LEU 449          HD22      LEU 449 319.219 208.029 186.399
  579   3HD2  LEU 449          HD23      LEU 449 320.529 207.035 185.769
  580    H    THR 450           HN       THR 450 322.035 205.809 190.039
  581    HA   THR 450           HA       THR 450 322.864 203.181 191.122
  582    HB   THR 450           HB       THR 450 324.495 204.582 192.490
  583    HG1  THR 450           HG1      THR 450 324.278 206.637 192.245
  584   1HG2  THR 450          HG21      THR 450 324.693 203.568 189.832
  585   2HG2  THR 450          HG22      THR 450 326.006 203.859 190.971
  586   3HG2  THR 450          HG23      THR 450 325.518 205.126 189.849
  587    H    ASN 451           HN       ASN 451 321.519 206.382 191.816
  588    HA   ASN 451           HA       ASN 451 320.122 205.213 194.127
  589   1HB   ASN 451          HB2       ASN 451 322.092 207.395 194.167
  590   2HB   ASN 451          HB1       ASN 451 320.573 207.819 194.948
  591   1HD2  ASN 451          HD21      ASN 451 322.893 207.579 196.518
  592   2HD2  ASN 451          HD22      ASN 451 322.777 206.192 197.490
  593    H    PHE 452           HN       PHE 452 318.191 206.224 194.703
  594    HA   PHE 452           HA       PHE 452 316.561 206.931 192.531
  595   1HB   PHE 452          HB2       PHE 452 316.064 207.353 195.482
  596   2HB   PHE 452          HB1       PHE 452 314.837 207.326 194.215
  597    HD1  PHE 452           HD1      PHE 452 316.180 205.394 196.731
  598    HD2  PHE 452           HD2      PHE 452 315.257 205.141 192.548
  599    HE1  PHE 452           HE1      PHE 452 316.064 202.922 196.902
  600    HE2  PHE 452           HE2      PHE 452 315.128 202.676 192.718
  601    HZ   PHE 452           HZ       PHE 452 315.534 201.563 194.896
  602    H    LEU 453           HN       LEU 453 318.165 208.989 194.959
  603    HA   LEU 453           HA       LEU 453 317.040 211.325 193.541
  604   1HB   LEU 453          HB2       LEU 453 318.216 211.172 196.328
  605   2HB   LEU 453          HB1       LEU 453 317.533 212.612 195.580
  606    HG   LEU 453           HG       LEU 453 315.943 210.058 195.976
  607   1HD1  LEU 453          HD11      LEU 453 316.467 212.374 197.819
  608   2HD1  LEU 453          HD12      LEU 453 316.381 210.653 198.193
  609   3HD1  LEU 453          HD13      LEU 453 314.904 211.560 197.870
  610   1HD2  LEU 453          HD21      LEU 453 315.266 212.072 194.346
  611   2HD2  LEU 453          HD22      LEU 453 314.772 212.825 195.850
  612   3HD2  LEU 453          HD23      LEU 453 314.063 211.290 195.360
  613    H    ASP 454           HN       ASP 454 319.487 209.621 192.887
  614    HA   ASP 454           HA       ASP 454 321.812 211.169 193.349
  615   1HB   ASP 454          HB2       ASP 454 321.656 208.783 192.435
  616   2HB   ASP 454          HB1       ASP 454 321.319 209.520 190.872
  617    H    SER 455           HN       SER 455 320.921 213.334 193.041
  618    HA   SER 455           HA       SER 455 319.878 214.312 190.641
  619   1HB   SER 455          HB2       SER 455 320.574 216.539 191.491
  620   2HB   SER 455          HB1       SER 455 319.723 215.578 192.697
  621    HG   SER 455           HG       SER 455 321.451 215.681 193.873
  622    H    GLY 456           HN       GLY 456 323.245 213.897 191.641
  623   1HA   GLY 456          HA2       GLY 456 324.456 215.462 189.645
  624   2HA   GLY 456          HA1       GLY 456 325.209 214.093 190.455
  625    H    LEU 457           HN       LEU 457 323.649 211.978 189.655
  626    HA   LEU 457           HA       LEU 457 324.612 211.474 187.031
  627   1HB   LEU 457          HB2       LEU 457 322.545 210.045 188.708
  628   2HB   LEU 457          HB1       LEU 457 323.022 209.491 187.106
  629    HG   LEU 457           HG       LEU 457 324.932 209.907 189.426
  630   1HD1  LEU 457          HD11      LEU 457 323.621 207.424 188.284
  631   2HD1  LEU 457          HD12      LEU 457 323.485 208.040 189.929
  632   3HD1  LEU 457          HD13      LEU 457 325.016 207.374 189.361
  633   1HD2  LEU 457          HD21      LEU 457 326.468 209.895 187.745
  634   2HD2  LEU 457          HD22      LEU 457 325.284 209.380 186.545
  635   3HD2  LEU 457          HD23      LEU 457 326.088 208.186 187.558
  636    H    TYR 458           HN       TYR 458 321.373 212.295 188.262
  637    HA   TYR 458           HA       TYR 458 320.020 212.129 185.807
  638   1HB   TYR 458          HB2       TYR 458 319.511 213.656 188.342
  639   2HB   TYR 458          HB1       TYR 458 318.504 213.946 186.926
  640    HD1  TYR 458           HD1      TYR 458 318.920 211.909 189.805
  641    HD2  TYR 458           HD2      TYR 458 317.586 211.793 185.737
  642    HE1  TYR 458           HE1      TYR 458 317.582 209.885 190.305
  643    HE2  TYR 458           HE2      TYR 458 316.239 209.779 186.229
  644    HH   TYR 458           HH       TYR 458 315.245 208.871 188.988
  645    H    THR 459           HN       THR 459 321.666 214.887 187.330
  646    HA   THR 459           HA       THR 459 320.992 216.783 185.369
  647    HB   THR 459           HB       THR 459 323.450 216.644 187.128
  648    HG1  THR 459           HG1      THR 459 321.027 216.828 187.837
  649   1HG2  THR 459          HG21      THR 459 323.455 219.128 186.756
  650   2HG2  THR 459          HG22      THR 459 322.217 218.895 185.522
  651   3HG2  THR 459          HG23      THR 459 323.821 218.194 185.305
  652    H    SER 460           HN       SER 460 323.838 214.644 185.649
  653    HA   SER 460           HA       SER 460 325.229 215.595 183.399
  654   1HB   SER 460          HB2       SER 460 325.199 212.799 184.552
  655   2HB   SER 460          HB1       SER 460 326.432 213.468 183.487
  656    HG   SER 460           HG       SER 460 326.676 213.521 185.939
  657    H    LEU 461           HN       LEU 461 322.876 212.946 183.737
  658    HA   LEU 461           HA       LEU 461 323.052 212.002 181.100
  659   1HB   LEU 461          HB2       LEU 461 320.792 211.918 183.106
  660   2HB   LEU 461          HB1       LEU 461 320.805 211.006 181.596
  661    HG   LEU 461           HG       LEU 461 323.029 210.838 183.639
  662   1HD1  LEU 461          HD11      LEU 461 320.360 209.609 183.673
  663   2HD1  LEU 461          HD12      LEU 461 321.569 209.719 184.950
  664   3HD1  LEU 461          HD13      LEU 461 321.666 208.426 183.763
  665   1HD2  LEU 461          HD21      LEU 461 323.912 210.003 181.669
  666   2HD2  LEU 461          HD22      LEU 461 322.351 209.438 181.078
  667   3HD2  LEU 461          HD23      LEU 461 323.197 208.542 182.340
  668    H    THR 462           HN       THR 462 320.963 214.440 182.570
  669    HA   THR 462           HA       THR 462 319.329 214.926 180.338
  670    HB   THR 462           HB       THR 462 320.201 216.932 182.417
  671    HG1  THR 462           HG1      THR 462 318.995 214.671 182.781
  672   1HG2  THR 462          HG21      THR 462 317.514 217.216 181.614
  673   2HG2  THR 462          HG22      THR 462 318.430 217.041 180.131
  674   3HG2  THR 462          HG23      THR 462 318.837 218.321 181.276
  675    H    GLU 463           HN       GLU 463 322.330 216.542 181.386
  676    HA   GLU 463           HA       GLU 463 322.419 218.464 179.352
  677   1HB   GLU 463          HB2       GLU 463 324.709 217.067 180.762
  678   2HB   GLU 463          HB1       GLU 463 324.875 218.506 179.758
  679   1HG   GLU 463          HG2       GLU 463 322.947 219.401 181.390
  680   2HG   GLU 463          HG1       GLU 463 323.663 218.210 182.468
  681    H    ARG 464           HN       ARG 464 323.545 215.129 179.464
  682    HA   ARG 464           HA       ARG 464 324.946 215.051 177.049
  683   1HB   ARG 464          HB2       ARG 464 324.124 213.310 179.161
  684   2HB   ARG 464          HB1       ARG 464 323.725 212.523 177.639
  685   1HG   ARG 464          HG2       ARG 464 326.063 212.977 176.866
  686   2HG   ARG 464          HG1       ARG 464 326.429 213.574 178.489
  687   1HD   ARG 464          HD2       ARG 464 325.817 211.421 179.439
  688   2HD   ARG 464          HD1       ARG 464 325.271 210.841 177.885
  689    HE   ARG 464           HE       ARG 464 328.077 211.821 178.273
  690   1HH1  ARG 464          HH21      ARG 464 325.892 209.207 177.728
  691   2HH1  ARG 464          HH22      ARG 464 327.146 208.050 177.426
  692   1HH2  ARG 464          HH11      ARG 464 329.722 210.337 177.891
  693   2HH2  ARG 464          HH12      ARG 464 329.321 208.693 177.522
  694    H    LEU 465           HN       LEU 465 321.579 214.229 177.810
  695    HA   LEU 465           HA       LEU 465 320.932 213.249 175.244
  696   1HB   LEU 465          HB2       LEU 465 319.223 214.347 177.485
  697   2HB   LEU 465          HB1       LEU 465 318.558 213.617 176.020
  698    HG   LEU 465           HG       LEU 465 320.597 212.223 177.773
  699   1HD1  LEU 465          HD11      LEU 465 318.600 212.611 179.120
  700   2HD1  LEU 465          HD12      LEU 465 318.696 210.906 178.674
  701   3HD1  LEU 465          HD13      LEU 465 317.577 211.979 177.829
  702   1HD2  LEU 465          HD21      LEU 465 320.636 210.792 176.026
  703   2HD2  LEU 465          HD22      LEU 465 319.310 211.625 175.222
  704   3HD2  LEU 465          HD23      LEU 465 318.970 210.366 176.407
  705    H    VAL 466           HN       VAL 466 320.741 216.429 176.724
  706    HA   VAL 466           HA       VAL 466 319.439 217.794 174.610
  707    HB   VAL 466           HB       VAL 466 321.460 218.744 176.663
  708   1HG1  VAL 466          HG11      VAL 466 321.233 220.224 174.565
  709   2HG1  VAL 466          HG12      VAL 466 320.899 220.993 176.110
  710   3HG1  VAL 466          HG13      VAL 466 319.567 220.489 175.073
  711   1HG2  VAL 466          HG21      VAL 466 319.281 217.835 177.495
  712   2HG2  VAL 466          HG22      VAL 466 318.448 219.049 176.526
  713   3HG2  VAL 466          HG23      VAL 466 319.497 219.548 177.853
  714    H    ALA 467           HN       ALA 467 322.875 217.165 175.302
  715    HA   ALA 467           HA       ALA 467 323.940 218.554 173.100
  716   1HB   ALA 467          HB1       ALA 467 325.883 217.920 174.053
  717   2HB   ALA 467          HB2       ALA 467 325.520 216.216 173.780
  718   3HB   ALA 467          HB3       ALA 467 324.941 217.018 175.238
  719    H    ALA 468           HN       ALA 468 322.846 215.193 173.475
  720    HA   ALA 468           HA       ALA 468 323.637 214.366 170.867
  721   1HB   ALA 468          HB1       ALA 468 321.660 212.600 171.615
  722   2HB   ALA 468          HB2       ALA 468 322.216 213.214 173.171
  723   3HB   ALA 468          HB3       ALA 468 323.361 212.461 172.063
  724    H    GLN 469           HN       GLN 469 320.833 215.981 172.140
  725    HA   GLN 469           HA       GLN 469 319.000 215.338 170.066
  726   1HB   GLN 469          HB2       GLN 469 319.185 217.577 172.066
  727   2HB   GLN 469          HB1       GLN 469 317.921 217.554 170.836
  728   1HG   GLN 469          HG2       GLN 469 318.440 215.146 172.565
  729   2HG   GLN 469          HG1       GLN 469 317.400 216.453 173.120
  730   1HE2  GLN 469          HE21      GLN 469 316.856 213.547 172.155
  731   2HE2  GLN 469          HE22      GLN 469 315.610 213.743 171.019
  732    H    ARG 470           HN       ARG 470 321.126 218.126 170.588
  733    HA   ARG 470           HA       ARG 470 320.464 219.480 168.149
  734   1HB   ARG 470          HB2       ARG 470 322.951 219.520 169.856
  735   2HB   ARG 470          HB1       ARG 470 322.704 220.563 168.458
  736   1HG   ARG 470          HG2       ARG 470 320.598 221.385 169.538
  737   2HG   ARG 470          HG1       ARG 470 321.058 220.479 170.986
  738   1HD   ARG 470          HD2       ARG 470 323.139 221.728 171.132
  739   2HD   ARG 470          HD1       ARG 470 322.819 222.520 169.609
  740    HE   ARG 470           HE       ARG 470 320.766 222.785 171.706
  741   1HH1  ARG 470          HH21      ARG 470 323.583 224.074 170.205
  742   2HH1  ARG 470          HH22      ARG 470 323.417 225.642 170.921
  743   1HH2  ARG 470          HH11      ARG 470 320.522 224.812 172.663
  744   2HH2  ARG 470          HH12      ARG 470 321.674 226.060 172.323
  745    H    HIS 471           HN       HIS 471 323.370 217.771 169.133
  746    HA   HIS 471           HA       HIS 471 324.372 217.306 166.530
  747   1HB   HIS 471          HB2       HIS 471 324.846 216.199 169.263
  748   2HB   HIS 471          HB1       HIS 471 325.303 215.168 167.923
  749    HD1  HIS 471           HD1      HIS 471 327.449 216.173 169.755
  750    HD2  HIS 471           HD2      HIS 471 326.338 218.250 166.311
  751    HE1  HIS 471           HE1      HIS 471 329.441 217.578 169.090