*HEADER   ELECTRON TRANSPORT                      01-DEC-97   1DAX    
*TITLE    OXIDISED DESULFOVIBRIO AFRICANUS FERREDOXIN I, NMR,         
*TITLE   2 MINIMIZED AVERAGE STRUCTURE                                
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: FERREDOXIN I;                                    
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 OTHER_DETAILS: OXIDIZED                                    
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO AFRICANUS;              
*SOURCE  3 STRAIN: BENGHAZI                                           
*KEYWDS   ELECTRON TRANSPORT, OXIDISED DESULFOVIBRIO AFRICANUS        
*KEYWDS  2 FERREDOXIN I, ELECTRON-TRANSFER PROTEIN, 4FE-4S CLUSTER    
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   S.L.DAVY,M.J.OSBORNE,G.R.MOORE                              
*REVDAT  1   13-JAN-99 1DAX    0                                      
 


REMARK Distance restraints
assign (resid 2 and name HA)(resid 3 and name HN) 2.70 0.9 0.2
assign (resid 3 and name HN)(resid 3 and name HA) 2.80 1 0.2
assign (resid 3 and name HN)(resid 3 and name HB1) 2.90 1.1 0.2
assign (resid 3 and name HN)(resid 3 and name HB2) 3.30 1.5 0.2
assign (resid 3 and name HN)(resid 3 and name HG#) 6.00 4.2 0.2
assign (resid 3 and name HN)(resid 4 and name HA) 5.00 3.2 0.2
assign (resid 3 and name HN)(resid 63 and name HA) 3.50 1.7 0.2
assign (resid 3 and name HN)(resid 62 and name O) 2.30 0.5 0.2
assign (resid 3 and name N)(resid 62 and name O) 3.00 1.2 0.2
assign (resid 3 and name HA)(resid 4 and name HN) 2.70 0.9 0.2
assign (resid 3 and name HA)(resid 39 and name HG1#) 6.00 4.2 0.2
assign (resid 3 and name HA)(resid 39 and name HG1#) 6.00 4.2 0.2
assign (resid 3 and name HB1)(resid 4 and name HN) 3.40 1.6 0.2
assign (resid 3 and name HB2)(resid 4 and name HN) 5.00 3.2 0.2
assign (resid 3 and name O)(resid 62 and name HN) 2.30 0.5 0.2
assign (resid 3 and name O)(resid 62 and name N) 3.00 1.2 0.2
assign (resid 4 and name HN)(resid 5 and name HN) 5.00 3.2 0.2
assign (resid 4 and name HN)(resid 5 and name HB1) 5.00 3.2 0.2
assign (resid 4 and name HN)(resid 36 and name HG1#) 6.00 4.2 0.2
assign (resid 4 and name HN)(resid 39 and name HG1#) 6.00 4.2 0.2
assign (resid 4 and name HN)(resid 39 and name HG1#) 6.00 4.2 0.2
assign (resid 4 and name HN)(resid 61 and name HA) 4.10 2.3 0.2
assign (resid 4 and name HN)(resid 62 and name HB1) 2.30 0.5 0.2
assign (resid 4 and name HA)(resid 4 and name HB1) 2.70 0.9 0.2
assign (resid 4 and name HA)(resid 4 and name HB2) 2.70 0.9 0.2
assign (resid 4 and name HA)(resid 5 and name HN) 2.70 0.9 0.2
assign (resid 4 and name HA)(resid 5 and name HB1) 5.00 3.2 0.2
assign (resid 4 and name HA)(resid 5 and name CG) 6.70 4.9 0.2
assign (resid 4 and name HA)(resid 51 and name HE#) 6.00 4.2 0.2
assign (resid 4 and name HA)(resid 61 and name HA) 2.80 1 0.2
assign (resid 4 and name HA)(resid 61 and name HB1) 5.00 3.2 0.2
assign (resid 4 and name HA)(resid 61 and name HE3) 5.00 3.2 0.2
assign (resid 4 and name HA)(resid 62 and name HN) 3.30 1.5 0.2
assign (resid 4 and name HB1)(resid 5 and name HN) 3.90 2.1 0.2
assign (resid 4 and name HB1)(resid 51 and name HE#) 6.00 4.2 0.2
assign (resid 4 and name HB1)(resid 61 and name HA) 3.40 1.6 0.2
assign (resid 4 and name HB1)(resid 61 and name HE3) 3.30 1.5 0.2
assign (resid 4 and name HB1)(resid 61 and name HZ3) 5.00 3.2 0.2
assign (resid 4 and name HB2)(resid 5 and name HN) 3.30 1.5 0.2
assign (resid 4 and name HB2)(resid 51 and name HE#) 6.00 4.2 0.2
assign (resid 4 and name HB2)(resid 59 and name HG1#) 6.00 4.2 0.2
assign (resid 4 and name HB2)(resid 61 and name HA) 4.40 2.6 0.2
assign (resid 4 and name HB2)(resid 61 and name HE3) 3.90 2.1 0.2
assign (resid 4 and name CG)(resid 5 and name HN) 7.00 5.2 0.2
assign (resid 4 and name CG)(resid 47 and name HG1#) 8.00 6.2 0.2
assign (resid 4 and name CG)(resid 59 and name HG1#) 8.00 6.2 0.2
assign (resid 4 and name CG)(resid 62 and name HN) 7.00 5.2 0.2
assign (resid 4 and name CZ)(resid 24 and name HB#) 8.00 6.2 0.2
assign (resid 4 and name CZ)(resid 36 and name HG1#) 8.00 6.2 0.2
assign (resid 4 and name CZ)(resid 39 and name HA) 5.80 4 0.2
assign (resid 4 and name CZ)(resid 39 and name HG1#) 8.00 6.2 0.2
assign (resid 4 and name CZ)(resid 47 and name HG1#) 8.00 6.2 0.2
assign (resid 5 and name HN)(resid 6 and name HA) 5.00 3.2 0.2
assign (resid 5 and name HN)(resid 6 and name HG1#) 6.00 4.2 0.2
assign (resid 5 and name HN)(resid 51 and name HE#) 6.00 4.2 0.2
assign (resid 5 and name HN)(resid 59 and name HG1#) 6.00 4.2 0.2
assign (resid 5 and name HN)(resid 60 and name HN) 3.20 1.4 0.2
assign (resid 5 and name HN)(resid 60 and name HB2) 5.00 3.2 0.2
assign (resid 5 and name HN)(resid 61 and name HA) 4.90 3.1 0.2
assign (resid 5 and name HA)(resid 5 and name HB1) 2.90 1.1 0.2
assign (resid 5 and name HA)(resid 5 and name HB2) 2.90 1.1 0.2
assign (resid 5 and name HA)(resid 6 and name HN) 3.10 1.3 0.2
assign (resid 5 and name HA)(resid 36 and name HN) 4.50 2.7 0.2
assign (resid 5 and name HA)(resid 36 and name HB) 4.70 2.9 0.2
assign (resid 5 and name HA)(resid 36 and name HG1#) 5.50 3.7 0.2
assign (resid 5 and name HB1)(resid 6 and name HN) 3.30 1.5 0.2
assign (resid 5 and name HB2)(resid 6 and name HN) 5.00 3.2 0.2
assign (resid 5 and name O)(resid 60 and name HN) 2.30 0.5 0.2
assign (resid 5 and name O)(resid 60 and name N) 3.00 1.2 0.2
assign (resid 5 and name CG)(resid 6 and name HN) 7.00 5.2 0.2
assign (resid 5 and name CG)(resid 36 and name HG1#) 8.00 6.2 0.2
assign (resid 5 and name CG)(resid 62 and name HN) 7.00 5.2 0.2
assign (resid 5 and name CG)(resid 62 and name HA) 7.00 5.2 0.2
assign (resid 5 and name CZ)(resid 6 and name HA) 7.00 5.2 0.2
assign (resid 5 and name CZ)(resid 7 and name HA) 6.70 4.9 0.2
assign (resid 5 and name CZ)(resid 7 and name HB2) 6.20 4.4 0.2
assign (resid 5 and name CZ)(resid 60 and name HB1) 6.70 4.9 0.2
assign (resid 5 and name CZ)(resid 62 and name HA) 6.10 4.3 0.2
assign (resid 6 and name HN)(resid 35 and name HA) 4.50 2.7 0.2
assign (resid 6 and name HN)(resid 36 and name HA) 5.60 3.8 0.2
assign (resid 6 and name HN)(resid 36 and name HB) 3.60 1.8 0.2
assign (resid 6 and name HN)(resid 36 and name HG1#) 6.00 4.2 0.2
assign (resid 6 and name HN)(resid 7 and name HA) 4.80 3 0.2
assign (resid 6 and name HA)(resid 7 and name HN) 3.00 1.2 0.2
assign (resid 6 and name HA)(resid 59 and name HA) 3.50 1.7 0.2
assign (resid 6 and name HB)(resid 8 and name HN) 3.50 1.7 0.2
assign (resid 6 and name HB)(resid 8 and name HE22) 4.60 2.8 0.2
assign (resid 6 and name HB)(resid 35 and name HA) 3.80 2 0.2
assign (resid 6 and name HB)(resid 36 and name HN) 5.00 3.2 0.2
assign (resid 6 and name HG1#)(resid 7 and name HN) 6.00 4.2 0.2
assign (resid 6 and name HG1#)(resid 7 and name HA) 6.00 4.2 0.2
assign (resid 6 and name HG1#)(resid 36 and name HG1#) 7.00 5.2 0.2
assign (resid 6 and name HG1#)(resid 9 and name HN) 6.00 4.2 0.2
assign (resid 7 and name HN)(resid 7 and name HB1) 3.90 2.1 0.2
assign (resid 7 and name HN)(resid 7 and name HB2) 3.80 2 0.2
assign (resid 7 and name HN)(resid 8 and name HA) 4.50 2.7 0.2
assign (resid 7 and name HN)(resid 58 and name HB1) 4.60 2.8 0.2
assign (resid 7 and name HN)(resid 59 and name HA) 4.00 2.2 0.2
assign (resid 7 and name HN)(resid 60 and name HE1) 4.50 2.7 0.2
assign (resid 7 and name HA)(resid 7 and name HB2) 3.00 1.2 0.2
assign (resid 7 and name HA)(resid 8 and name HN) 2.70 0.9 0.2
assign (resid 7 and name HA)(resid 8 and name HA) 4.70 2.9 0.2
assign (resid 7 and name HA)(resid 9 and name HN) 3.50 1.7 0.2
assign (resid 7 and name HA)(resid 25 and name CZ) 7.00 5.2 0.2
assign (resid 7 and name HB1)(resid 10 and name HN) 4.40 2.6 0.2
assign (resid 7 and name HB1)(resid 58 and name HA) 5.00 3.2 0.2
assign (resid 7 and name HB1)(resid 58 and name HB1) 5.00 3.2 0.2
assign (resid 7 and name HB1)(resid 60 and name HE1) 4.10 2.3 0.2
assign (resid 7 and name HB2)(resid 8 and name HN) 4.30 2.5 0.2
assign (resid 7 and name HB2)(resid 58 and name HB1) 5.00 3.2 0.2
assign (resid 7 and name HB2)(resid 60 and name HE1) 3.40 1.6 0.2
assign (resid 8 and name HN)(resid 8 and name HB1) 3.70 1.9 0.2
assign (resid 8 and name HN)(resid 8 and name HG#) 5.40 3.6 0.2
assign (resid 8 and name HN)(resid 9 and name HN) 3.50 1.7 0.2
assign (resid 8 and name HN)(resid 9 and name HB2) 5.00 3.2 0.2
assign (resid 8 and name HA)(resid 10 and name HN) 4.20 2.4 0.2
assign (resid 8 and name HA)(resid 11 and name HN) 3.40 1.6 0.2
assign (resid 8 and name HA)(resid 11 and name HB1) 3.00 1.2 0.2
assign (resid 8 and name HA)(resid 11 and name HB2) 3.00 1.2 0.2
assign (resid 8 and name HA)(resid 33 and name HB1) 3.70 1.9 0.2
assign (resid 8 and name HB1)(resid 9 and name HN) 4.00 2.2 0.2
assign (resid 8 and name HB1)(resid 11 and name HB1) 4.00 2.2 0.2
assign (resid 8 and name HB2)(resid 9 and name HN) 5.00 3.2 0.2
assign (resid 8 and name HE21)(resid 35 and name HB#) 5.20 3.4 0.2
assign (resid 8 and name HE22)(resid 35 and name HB#) 5.20 3.4 0.2
assign (resid 9 and name HN)(resid 9 and name HB1) 3.30 1.5 0.2
assign (resid 9 and name HN)(resid 9 and name HB2) 4.00 2.2 0.2
assign (resid 9 and name HN)(resid 10 and name HN) 2.90 1.1 0.2
assign (resid 9 and name HN)(resid 10 and name HB1) 5.00 3.2 0.2
assign (resid 9 and name HA)(resid 9 and name HB1) 2.90 1.1 0.2
assign (resid 9 and name HB1)(resid 10 and name HN) 5.00 3.2 0.2
assign (resid 9 and name HB1)(resid 10 and name HA) 4.00 2.2 0.2
assign (resid 9 and name HB2)(resid 10 and name HN) 5.00 3.2 0.2
assign (resid 10 and name HN)(resid 10 and name HB2) 3.80 2 0.2
assign (resid 10 and name HN)(resid 10 and name HG1) 5.00 3.2 0.2
assign (resid 10 and name HA)(resid 10 and name HB2) 2.90 1.1 0.2
assign (resid 10 and name HB2)(resid 58 and name HA) 4.00 2.2 0.2
assign (resid 10 and name HB2)(resid 58 and name HB1) 5.00 3.2 0.2
assign (resid 11 and name HN)(resid 33 and name HB#) 6.00 4.2 0.2
assign (resid 11 and name HB1)(resid 33 and name HB#) 4.00 2.2 0.2
assign (resid 11 and name HB2)(resid 33 and name HA) 4.00 2.2 0.2
assign (resid 11 and name HB2)(resid 33 and name HB#) 3.00 1.2 0.2
assign (resid 11 and name SG)(resid 14 and name SG) 6.38 4.58 0.2
assign (resid 11 and name SG)(resid 17 and name SG) 6.38 4.58 0.2
assign (resid 11 and name SG)(resid 54 and name SG) 6.38 4.58 0.2
assign (resid 65 and name FE1)(resid 34 and name HN) 4.00 2.2 0.2
assign (resid 65 and name FE1)(resid 65 and name FE2) 2.66 0.86 0.2
assign (resid 65 and name FE1)(resid 65 and name S2) 2.32 0.52 0.2
assign (resid 65 and name FE1)(resid 65 and name FE3) 2.66 0.86 0.2
assign (resid 65 and name FE1)(resid 65 and name S3) 2.32 0.52 0.2
assign (resid 65 and name FE1)(resid 65 and name FE4) 2.66 0.86 0.2
assign (resid 65 and name S1)(resid 65 and name S2) 3.51 1.71 0.2
assign (resid 65 and name S1)(resid 65 and name FE3) 2.32 0.52 0.2
assign (resid 65 and name S1)(resid 65 and name S3) 3.51 1.71 0.2
assign (resid 65 and name S1)(resid 65 and name FE4) 2.32 0.52 0.2
assign (resid 65 and name S1)(resid 65 and name S4) 3.51 1.71 0.2
assign (resid 12 and name HG1#)(resid 14 and name HB2) 3.00 1.2 0.2
assign (resid 14 and name HA)(resid 14 and name HB1) 3.00 1.2 0.2
assign (resid 14 and name HA)(resid 14 and name HB2) 3.00 1.2 0.2
assign (resid 14 and name SG)(resid 17 and name SG) 6.38 4.58 0.2
assign (resid 14 and name SG)(resid 54 and name SG) 6.38 4.58 0.2
assign (resid 65 and name FE2)(resid 65 and name FE3) 2.66 0.86 0.2
assign (resid 65 and name FE2)(resid 65 and name S3) 2.32 0.52 0.2
assign (resid 65 and name FE2)(resid 65 and name FE4) 2.66 0.86 0.2
assign (resid 65 and name FE2)(resid 65 and name S4) 2.32 0.52 0.2
assign (resid 65 and name S2)(resid 65 and name S3) 3.51 1.71 0.2
assign (resid 65 and name S2)(resid 65 and name FE4) 2.32 0.52 0.2
assign (resid 65 and name S2)(resid 65 and name S4) 3.51 1.71 0.2
assign (resid 15 and name O)(resid 19 and name HN) 2.30 0.5 0.2
assign (resid 15 and name O)(resid 19 and name N) 3.00 1.2 0.2
assign (resid 16 and name O)(resid 20 and name HN) 2.30 0.5 0.2
assign (resid 16 and name O)(resid 20 and name N) 3.00 1.2 0.2
assign (resid 17 and name HB1)(resid 25 and name HB1) 4.00 2.2 0.2
assign (resid 17 and name HB1)(resid 25 and name HB2) 4.00 2.2 0.2
assign (resid 17 and name HB1)(resid 25 and name CG) 4.00 2.2 0.2
assign (resid 17 and name HB1)(resid 25 and name CZ) 4.50 2.7 0.2
assign (resid 17 and name HB1)(resid 50 and name HA) 4.50 2.7 0.2
assign (resid 17 and name HB1)(resid 50 and name HB#) 3.50 1.7 0.2
assign (resid 17 and name O)(resid 21 and name HN) 2.30 0.5 0.2
assign (resid 17 and name O)(resid 21 and name N) 3.00 1.2 0.2
assign (resid 17 and name SG)(resid 54 and name SG) 6.38 4.58 0.2
assign (resid 65 and name FE3)(resid 65 and name FE4) 2.66 0.86 0.2
assign (resid 65 and name FE3)(resid 65 and name S4) 2.32 0.52 0.2
assign (resid 65 and name S3)(resid 65 and name S4) 3.51 1.71 0.2
assign (resid 18 and name HN)(resid 18 and name HA) 2.90 1.1 0.2
assign (resid 18 and name HN)(resid 18 and name HB) 3.00 1.2 0.2
assign (resid 18 and name HA)(resid 20 and name HN) 4.70 2.9 0.2
assign (resid 18 and name HA)(resid 21 and name HN) 3.80 2 0.2
assign (resid 18 and name HA)(resid 25 and name HN) 3.90 2.1 0.2
assign (resid 18 and name HA)(resid 25 and name HB1) 3.50 1.7 0.2
assign (resid 18 and name HA)(resid 25 and name HB2) 3.10 1.3 0.2
assign (resid 18 and name HB)(resid 19 and name HN) 3.80 2 0.2
assign (resid 18 and name HG1#)(resid 19 and name HA) 6.00 4.2 0.2
assign (resid 18 and name HG1#)(resid 26 and name HA) 6.00 4.2 0.2
assign (resid 18 and name HG1#)(resid 27 and name HN) 6.00 4.2 0.2
assign (resid 19 and name HN)(resid 19 and name HB1) 4.10 2.3 0.2
assign (resid 19 and name HN)(resid 19 and name HB2) 4.00 2.2 0.2
assign (resid 19 and name HN)(resid 19 and name HG1) 4.90 3.1 0.2
assign (resid 19 and name HN)(resid 19 and name HG2) 4.10 2.3 0.2
assign (resid 19 and name HN)(resid 20 and name HN) 3.60 1.8 0.2
assign (resid 19 and name HN)(resid 21 and name HN) 5.00 3.2 0.2
assign (resid 19 and name HA)(resid 19 and name HB2) 3.00 1.2 0.2
assign (resid 19 and name HA)(resid 21 and name HN) 3.10 1.3 0.2
assign (resid 19 and name HB1)(resid 20 and name HN) 4.60 2.8 0.2
assign (resid 19 and name HB1)(resid 20 and name HA) 4.00 2.2 0.2
assign (resid 19 and name HB2)(resid 20 and name HN) 5.00 3.2 0.2
assign (resid 20 and name HN)(resid 20 and name HB) 3.40 1.6 0.2
assign (resid 20 and name HN)(resid 20 and name HG11) 2.80 1 0.2
assign (resid 20 and name HN)(resid 20 and name HG12) 4.90 3.1 0.2
assign (resid 20 and name HN)(resid 20 and name HG1#) 6.00 4.2 0.2
assign (resid 20 and name HN)(resid 21 and name HN) 2.90 1.1 0.2
assign (resid 20 and name HA)(resid 20 and name HG11) 3.10 1.3 0.2
assign (resid 20 and name HA)(resid 20 and name HG12) 3.00 1.2 0.2
assign (resid 20 and name HA)(resid 21 and name HA) 4.80 3 0.2
assign (resid 20 and name HA)(resid 22 and name HD2) 4.70 2.9 0.2
assign (resid 20 and name HB)(resid 20 and name HG11) 2.50 0.7 0.2
assign (resid 20 and name HB)(resid 20 and name HG12) 2.40 0.6 0.2
assign (resid 20 and name HB)(resid 21 and name HN) 5.00 3.2 0.2
assign (resid 20 and name HG1#)(resid 21 and name HN) 6.00 4.2 0.2
assign (resid 20 and name HG1#)(resid 46 and name HA) 6.00 4.2 0.2
assign (resid 20 and name HG1#)(resid 50 and name HN) 6.00 4.2 0.2
assign (resid 20 and name HG1#)(resid 50 and name HA) 6.00 4.2 0.2
assign (resid 20 and name HG11)(resid 50 and name HA) 3.70 1.9 0.2
assign (resid 20 and name HG1#)(resid 21 and name HN) 6.00 4.2 0.2
assign (resid 20 and name HG1#)(resid 50 and name HN) 6.00 4.2 0.2
assign (resid 20 and name HG1#)(resid 50 and name HA) 6.00 4.2 0.2
assign (resid 20 and name HG1#)(resid 53 and name HN) 6.00 4.2 0.2
assign (resid 20 and name HG1#)(resid 53 and name HB) 6.00 4.2 0.2
assign (resid 21 and name HN)(resid 22 and name HA) 4.20 2.4 0.2
assign (resid 21 and name HN)(resid 22 and name HD1) 4.20 2.4 0.2
assign (resid 21 and name HN)(resid 22 and name HD2) 4.10 2.3 0.2
assign (resid 21 and name HN)(resid 25 and name CG) 7.00 5.2 0.2
assign (resid 21 and name HN)(resid 50 and name HB#) 6.00 4.2 0.2
assign (resid 21 and name HA)(resid 22 and name HD1) 2.80 1 0.2
assign (resid 21 and name HA)(resid 22 and name HD2) 3.50 1.7 0.2
assign (resid 21 and name HA)(resid 24 and name HB#) 6.00 4.2 0.2
assign (resid 21 and name HA)(resid 42 and name HB#) 6.00 4.2 0.2
assign (resid 21 and name O)(resid 25 and name HN) 2.30 0.5 0.2
assign (resid 21 and name O)(resid 25 and name N) 3.00 1.2 0.2
assign (resid 21 and name HB#)(resid 23 and name HN) 6.00 4.2 0.2
assign (resid 21 and name HB#)(resid 24 and name HN) 6.00 4.2 0.2
assign (resid 21 and name HB#)(resid 25 and name HN) 6.00 4.2 0.2
assign (resid 21 and name HB#)(resid 25 and name CG) 8.00 6.2 0.2
assign (resid 21 and name HB#)(resid 25 and name CZ) 8.00 6.2 0.2
assign (resid 21 and name HB#)(resid 42 and name HA) 6.00 4.2 0.2
assign (resid 21 and name HB#)(resid 46 and name HA) 6.00 4.2 0.2
assign (resid 21 and name HB#)(resid 47 and name HN) 6.00 4.2 0.2
assign (resid 21 and name HB#)(resid 47 and name HA) 6.00 4.2 0.2
assign (resid 21 and name HB#)(resid 50 and name HN) 6.00 4.2 0.2
assign (resid 22 and name HA)(resid 25 and name HN) 5.00 3.2 0.2
assign (resid 22 and name HD1)(resid 23 and name HN) 5.00 3.2 0.2
assign (resid 23 and name HN)(resid 24 and name HN) 3.50 1.7 0.2
assign (resid 23 and name HN)(resid 25 and name HN) 3.70 1.9 0.2
assign (resid 23 and name HN)(resid 41 and name HA1) 5.00 3.2 0.2
assign (resid 23 and name HN)(resid 42 and name HB#) 6.00 4.2 0.2
assign (resid 23 and name HA1)(resid 25 and name HN) 5.00 3.2 0.2
assign (resid 24 and name HN)(resid 25 and name HA) 5.00 3.2 0.2
assign (resid 24 and name HN)(resid 25 and name HB2) 5.00 3.2 0.2
assign (resid 24 and name HN)(resid 41 and name HA1) 3.70 1.9 0.2
assign (resid 24 and name HN)(resid 41 and name HA2) 4.50 2.7 0.2
assign (resid 24 and name HN)(resid 42 and name HB#) 6.00 4.2 0.2
assign (resid 24 and name HA)(resid 37 and name HG#) 5.80 4 0.2
assign (resid 24 and name HA)(resid 38 and name HN) 3.50 1.7 0.2
assign (resid 24 and name HA)(resid 41 and name HN) 4.80 3 0.2
assign (resid 24 and name HA)(resid 41 and name HA1) 4.50 2.7 0.2
assign (resid 24 and name HB#)(resid 25 and name CG) 8.00 6.2 0.2
assign (resid 24 and name HB#)(resid 36 and name HG1#) 7.00 5.2 0.2
assign (resid 24 and name HB#)(resid 38 and name HN) 6.00 4.2 0.2
assign (resid 24 and name HB#)(resid 39 and name HA) 6.00 4.2 0.2
assign (resid 24 and name HB#)(resid 41 and name HN) 6.00 4.2 0.2
assign (resid 24 and name HB#)(resid 41 and name HA1) 6.00 4.2 0.2
assign (resid 24 and name HB#)(resid 42 and name HN) 6.00 4.2 0.2
assign (resid 24 and name HB#)(resid 47 and name HG1#) 7.00 5.2 0.2
assign (resid 25 and name HN)(resid 25 and name HB2) 3.80 2 0.2
assign (resid 25 and name HA)(resid 26 and name HN) 2.70 0.9 0.2
assign (resid 25 and name HA)(resid 26 and name HA) 5.00 3.2 0.2
assign (resid 25 and name HA)(resid 26 and name HB#) 6.00 4.2 0.2
assign (resid 25 and name HA)(resid 35 and name HN) 3.30 1.5 0.2
assign (resid 25 and name HA)(resid 36 and name HA) 2.90 1.1 0.2
assign (resid 25 and name HA)(resid 36 and name HG1#) 6.00 4.2 0.2
assign (resid 25 and name HA)(resid 37 and name HN) 3.20 1.4 0.2
assign (resid 25 and name HA)(resid 38 and name HN) 4.50 2.7 0.2
assign (resid 25 and name HB1)(resid 26 and name HN) 3.30 1.5 0.2
assign (resid 25 and name HB1)(resid 35 and name HN) 5.00 3.2 0.2
assign (resid 25 and name HB2)(resid 26 and name HN) 5.00 3.2 0.2
assign (resid 25 and name CG)(resid 36 and name HA) 7.00 5.2 0.2
assign (resid 25 and name CG)(resid 36 and name HG1#) 8.00 6.2 0.2
assign (resid 25 and name CZ)(resid 47 and name HG1#) 8.00 6.2 0.2
assign (resid 25 and name CZ)(resid 47 and name HG1#) 8.00 6.2 0.2
assign (resid 25 and name CZ)(resid 59 and name HG1#) 8.00 6.2 0.2
assign (resid 26 and name HN)(resid 27 and name HN) 4.50 2.7 0.2
assign (resid 26 and name HN)(resid 35 and name HN) 3.30 1.5 0.2
assign (resid 26 and name HN)(resid 36 and name HA) 4.10 2.3 0.2
assign (resid 26 and name HN)(resid 37 and name HG2) 4.60 2.8 0.2
assign (resid 26 and name HN)(resid 37 and name QD) 6.00 4.2 0.2
assign (resid 26 and name HA)(resid 27 and name HN) 3.10 1.3 0.2
assign (resid 26 and name HN)(resid 35 and name O) 2.30 0.5 0.2
assign (resid 26 and name N)(resid 35 and name O) 3.00 1.2 0.2
assign (resid 26 and name O)(resid 35 and name HN) 2.30 0.5 0.2
assign (resid 26 and name O)(resid 35 and name N) 3.00 1.2 0.2
assign (resid 26 and name HA)(resid 35 and name HN) 5.00 3.2 0.2
assign (resid 26 and name HB#)(resid 27 and name HA) 6.00 4.2 0.2
assign (resid 26 and name HB#)(resid 35 and name HN) 6.00 4.2 0.2
assign (resid 26 and name HB#)(resid 35 and name CZ) 8.00 6.2 0.2
assign (resid 27 and name HN)(resid 35 and name CZ) 7.00 5.2 0.2
assign (resid 27 and name HA)(resid 28 and name HN) 3.00 1.2 0.2
assign (resid 27 and name HA)(resid 34 and name HA) 3.50 1.7 0.2
assign (resid 27 and name HA)(resid 35 and name HN) 5.00 3.2 0.2
assign (resid 27 and name HA)(resid 35 and name CG) 7.00 5.2 0.2
assign (resid 27 and name HB1)(resid 28 and name HN) 5.00 3.2 0.2
assign (resid 27 and name HB1)(resid 33 and name HN) 5.00 3.2 0.2
assign (resid 27 and name HB2)(resid 28 and name HN) 5.00 3.2 0.2
assign (resid 27 and name HB#)(resid 34 and name HA) 6.00 4.2 0.2
assign (resid 28 and name HN)(resid 28 and name HB1) 3.30 1.5 0.2
assign (resid 28 and name HN)(resid 28 and name HB2) 3.40 1.6 0.2
assign (resid 28 and name HN)(resid 31 and name HN) 4.60 2.8 0.2
assign (resid 28 and name HN)(resid 31 and name HA) 5.00 3.2 0.2
assign (resid 28 and name HN)(resid 31 and name HG12) 5.00 3.2 0.2
assign (resid 28 and name HN)(resid 32 and name HN) 4.60 2.8 0.2
assign (resid 28 and name HN)(resid 32 and name HA) 3.30 1.5 0.2
assign (resid 28 and name HN)(resid 33 and name HN) 4.00 2.2 0.2
assign (resid 28 and name HN)(resid 34 and name HA) 4.60 2.8 0.2
assign (resid 28 and name HN)(resid 35 and name CG) 7.00 5.2 0.2
assign (resid 28 and name HN)(resid 35 and name CZ) 7.00 5.2 0.2
assign (resid 28 and name O)(resid 33 and name HN) 2.30 0.5 0.2
assign (resid 28 and name O)(resid 33 and name N) 3.00 1.2 0.2
assign (resid 28 and name HN)(resid 33 and name O) 2.30 0.5 0.2
assign (resid 28 and name N)(resid 33 and name O) 3.00 1.2 0.2
assign (resid 28 and name HA)(resid 28 and name HB2) 3.00 1.2 0.2
assign (resid 28 and name HA)(resid 29 and name HA) 4.50 2.7 0.2
assign (resid 28 and name HA)(resid 29 and name HD1) 3.00 1.2 0.2
assign (resid 28 and name HA)(resid 29 and name HD2) 3.10 1.3 0.2
assign (resid 28 and name HA)(resid 30 and name HN) 5.00 3.2 0.2
assign (resid 28 and name HA)(resid 31 and name HN) 5.00 3.2 0.2
assign (resid 28 and name HA)(resid 35 and name CG) 7.00 5.2 0.2
assign (resid 28 and name HA)(resid 35 and name CZ) 5.80 4 0.2
assign (resid 28 and name HB1)(resid 30 and name HN) 5.00 3.2 0.2
assign (resid 28 and name HB1)(resid 31 and name HN) 5.00 3.2 0.2
assign (resid 28 and name HB1)(resid 32 and name HN) 4.80 3 0.2
assign (resid 28 and name HB1)(resid 32 and name HA) 5.00 3.2 0.2
assign (resid 28 and name HB1)(resid 33 and name HN) 3.60 1.8 0.2
assign (resid 28 and name HB2)(resid 31 and name HN) 4.70 2.9 0.2
assign (resid 28 and name HB2)(resid 33 and name HN) 5.00 3.2 0.2
assign (resid 28 and name HB2)(resid 35 and name HN) 5.00 3.2 0.2
assign (resid 28 and name HB2)(resid 35 and name CG) 5.90 4.1 0.2
assign (resid 29 and name HA)(resid 32 and name HN) 4.60 2.8 0.2
assign (resid 29 and name HD1)(resid 30 and name HN) 3.10 1.3 0.2
assign (resid 29 and name HD2)(resid 30 and name HN) 4.60 2.8 0.2
assign (resid 30 and name HN)(resid 30 and name HB2) 2.90 1.1 0.2
assign (resid 30 and name HN)(resid 30 and name HG#) 6.00 4.2 0.2
assign (resid 30 and name HN)(resid 31 and name HN) 3.80 2 0.2
assign (resid 30 and name HN)(resid 31 and name HG1#) 6.00 4.2 0.2
assign (resid 30 and name HN)(resid 32 and name HN) 4.10 2.3 0.2
assign (resid 30 and name HN)(resid 32 and name HA) 4.60 2.8 0.2
assign (resid 30 and name HA)(resid 30 and name HB2) 2.60 0.8 0.2
assign (resid 30 and name HA)(resid 32 and name HN) 4.10 2.3 0.2
assign (resid 30 and name HA)(resid 32 and name HG#) 6.00 4.2 0.2
assign (resid 30 and name HB1)(resid 31 and name HN) 4.00 2.2 0.2
assign (resid 30 and name HB2)(resid 31 and name HN) 3.30 1.5 0.2
assign (resid 31 and name HN)(resid 31 and name HG11) 4.30 2.5 0.2
assign (resid 31 and name HN)(resid 31 and name HG12) 3.20 1.4 0.2
assign (resid 31 and name HN)(resid 31 and name HG1#) 6.00 4.2 0.2
assign (resid 31 and name HN)(resid 32 and name HN) 2.80 1 0.2
assign (resid 31 and name HN)(resid 32 and name HA) 4.50 2.7 0.2
assign (resid 31 and name HA)(resid 32 and name HB2) 4.60 2.8 0.2
assign (resid 31 and name HB)(resid 32 and name HN) 4.50 2.7 0.2
assign (resid 31 and name HB)(resid 33 and name HN) 4.80 3 0.2
assign (resid 31 and name HG1#)(resid 32 and name HN) 6.00 4.2 0.2
assign (resid 31 and name HG11)(resid 33 and name HN) 3.80 2 0.2
assign (resid 31 and name HG12)(resid 32 and name HN) 4.90 3.1 0.2
assign (resid 31 and name HG12)(resid 33 and name HN) 3.80 2 0.2
assign (resid 31 and name HG1#)(resid 33 and name HN) 6.00 4.2 0.2
assign (resid 32 and name HN)(resid 32 and name HA) 2.60 0.8 0.2
assign (resid 32 and name HN)(resid 32 and name HG#) 5.00 3.2 0.2
assign (resid 32 and name HN)(resid 33 and name HN) 3.10 1.3 0.2
assign (resid 32 and name HA)(resid 33 and name HN) 2.90 1.1 0.2
assign (resid 35 and name HN)(resid 35 and name CZ) 6.00 4.2 0.2
assign (resid 35 and name HN)(resid 36 and name HA) 5.00 3.2 0.2
assign (resid 35 and name HA)(resid 36 and name HN) 3.20 1.4 0.2
assign (resid 35 and name HA)(resid 36 and name HB) 5.00 3.2 0.2
assign (resid 35 and name CG)(resid 36 and name HN) 7.00 5.2 0.2
assign (resid 35 and name CG)(resid 36 and name HG1#) 8.00 6.2 0.2
assign (resid 35 and name CG)(resid 37 and name HA) 6.00 4.2 0.2
assign (resid 35 and name CZ)(resid 36 and name HA) 7.00 5.2 0.2
assign (resid 35 and name CZ)(resid 37 and name HA) 5.20 3.4 0.2
assign (resid 35 and name CZ)(resid 38 and name HB1) 7.00 5.2 0.2
assign (resid 35 and name CZ)(resid 38 and name HB2) 6.60 4.8 0.2
assign (resid 36 and name HN)(resid 36 and name HB) 3.00 1.2 0.2
assign (resid 36 and name HA)(resid 37 and name HN) 2.60 0.8 0.2
assign (resid 36 and name HA)(resid 38 and name HN) 4.20 2.4 0.2
assign (resid 36 and name HB)(resid 37 and name HN) 5.00 3.2 0.2
assign (resid 36 and name HG1#)(resid 37 and name HN) 6.00 4.2 0.2
assign (resid 36 and name HG1#)(resid 38 and name HN) 6.00 4.2 0.2
assign (resid 36 and name HG1#)(resid 39 and name HN) 6.00 4.2 0.2
assign (resid 36 and name HG1#)(resid 39 and name HA) 6.00 4.2 0.2
assign (resid 36 and name HG1#)(resid 37 and name HN) 6.00 4.2 0.2
assign (resid 36 and name HG1#)(resid 38 and name HN) 6.00 4.2 0.2
assign (resid 36 and name HG1#)(resid 39 and name HN) 6.00 4.2 0.2
assign (resid 36 and name HG1#)(resid 39 and name HA) 6.00 4.2 0.2
assign (resid 36 and name HG1#)(resid 39 and name HB) 6.00 4.2 0.2
assign (resid 37 and name HN)(resid 37 and name HG#) 6.00 4.2 0.2
assign (resid 37 and name HN)(resid 37 and name QD) 5.90 4.1 0.2
assign (resid 37 and name HN)(resid 38 and name HN) 2.80 1 0.2
assign (resid 37 and name HA)(resid 37 and name HB2) 3.00 1.2 0.2
assign (resid 37 and name HA)(resid 37 and name QD) 6.00 4.2 0.2
assign (resid 37 and name HB1)(resid 38 and name HN) 4.50 2.7 0.2
assign (resid 37 and name HB2)(resid 38 and name HN) 4.40 2.6 0.2
assign (resid 37 and name HG#)(resid 38 and name HN) 6.00 4.2 0.2
assign (resid 38 and name HN)(resid 39 and name HN) 5.00 3.2 0.2
assign (resid 38 and name HN)(resid 39 and name HA) 5.00 3.2 0.2
assign (resid 38 and name HN)(resid 39 and name HG1#) 6.00 4.2 0.2
assign (resid 38 and name HN)(resid 41 and name HA1) 5.00 3.2 0.2
assign (resid 38 and name HA)(resid 39 and name HN) 2.80 1 0.2
assign (resid 38 and name HA)(resid 39 and name HA) 5.00 3.2 0.2
assign (resid 38 and name HA)(resid 40 and name HN) 4.10 2.3 0.2
assign (resid 38 and name HB1)(resid 41 and name HN) 3.60 1.8 0.2
assign (resid 38 and name HB1)(resid 41 and name HA1) 3.10 1.3 0.2
assign (resid 38 and name HB2)(resid 41 and name HN) 4.20 2.4 0.2
assign (resid 39 and name HN)(resid 39 and name HB) 4.00 2.2 0.2
assign (resid 39 and name HN)(resid 40 and name HN) 3.00 1.2 0.2
assign (resid 39 and name HA)(resid 39 and name HB) 3.00 1.2 0.2
assign (resid 39 and name HA)(resid 40 and name HN) 3.50 1.7 0.2
assign (resid 39 and name HA)(resid 41 and name HN) 4.70 2.9 0.2
assign (resid 39 and name HB)(resid 40 and name HN) 4.00 2.2 0.2
assign (resid 39 and name HG1#)(resid 40 and name HN) 6.00 4.2 0.2
assign (resid 39 and name HG1#)(resid 40 and name HN) 6.00 4.2 0.2
assign (resid 40 and name HN)(resid 40 and name HG1) 5.00 3.2 0.2
assign (resid 40 and name HN)(resid 41 and name HN) 3.10 1.3 0.2
assign (resid 40 and name HN)(resid 41 and name HA1) 5.00 3.2 0.2
assign (resid 40 and name HN)(resid 42 and name HN) 5.00 3.2 0.2
assign (resid 40 and name HA)(resid 40 and name HB1) 2.70 0.9 0.2
assign (resid 40 and name HA)(resid 40 and name HG1) 4.00 2.2 0.2
assign (resid 40 and name HA)(resid 40 and name HG2) 3.30 1.5 0.2
assign (resid 40 and name HA)(resid 42 and name HN) 3.60 1.8 0.2
assign (resid 40 and name HB2)(resid 41 and name HN) 5.00 3.2 0.2
assign (resid 41 and name HN)(resid 42 and name HN) 5.00 3.2 0.2
assign (resid 42 and name HA)(resid 43 and name HN) 3.00 1.2 0.2
assign (resid 42 and name HB#)(resid 43 and name HA) 6.00 4.2 0.2
assign (resid 42 and name HB#)(resid 46 and name HN) 6.00 4.2 0.2
assign (resid 42 and name HB#)(resid 47 and name HN) 6.00 4.2 0.2
assign (resid 42 and name HB#)(resid 47 and name HA) 6.00 4.2 0.2
assign (resid 42 and name HB#)(resid 47 and name HG1#) 6.40 4.6 0.2
assign (resid 43 and name HN)(resid 43 and name HB1) 3.20 1.4 0.2
assign (resid 43 and name HN)(resid 44 and name HN) 5.00 3.2 0.2
assign (resid 43 and name HN)(resid 46 and name HN) 4.40 2.6 0.2
assign (resid 43 and name HN)(resid 46 and name HB#) 4.70 2.9 0.2
assign (resid 43 and name HN)(resid 46 and name HG1) 4.00 2.2 0.2
assign (resid 43 and name O)(resid 47 and name HN) 2.30 0.5 0.2
assign (resid 43 and name O)(resid 47 and name N) 2.30 0.5 0.2
assign (resid 43 and name HB1)(resid 44 and name HN) 4.00 2.2 0.2
assign (resid 43 and name HB1)(resid 45 and name HN) 3.80 2 0.2
assign (resid 43 and name HB2)(resid 44 and name HN) 3.20 1.4 0.2
assign (resid 43 and name HB2)(resid 46 and name HN) 3.10 1.3 0.2
assign (resid 44 and name HN)(resid 44 and name HG#) 6.00 4.2 0.2
assign (resid 44 and name HN)(resid 45 and name HN) 3.30 1.5 0.2
assign (resid 44 and name HN)(resid 45 and name HG2) 4.80 3 0.2
assign (resid 44 and name HA)(resid 46 and name HN) 4.40 2.6 0.2
assign (resid 44 and name HA)(resid 47 and name HN) 3.90 2.1 0.2
assign (resid 44 and name HA)(resid 47 and name HB) 3.10 1.3 0.2
assign (resid 44 and name HA)(resid 47 and name HG1#) 6.00 4.2 0.2
assign (resid 44 and name HA)(resid 47 and name HG1#) 6.00 4.2 0.2
assign (resid 44 and name HA)(resid 48 and name HN) 4.60 2.8 0.2
assign (resid 44 and name HA)(resid 61 and name HH2) 4.90 3.1 0.2
assign (resid 44 and name O)(resid 48 and name HN) 2.30 0.5 0.2
assign (resid 44 and name O)(resid 48 and name N) 3.00 1.2 0.2
assign (resid 44 and name HG#)(resid 61 and name HH2) 6.00 4.2 0.2
assign (resid 45 and name HN)(resid 45 and name HB1) 3.80 2 0.2
assign (resid 45 and name HN)(resid 45 and name HB2) 4.00 2.2 0.2
assign (resid 45 and name HN)(resid 45 and name HG1) 4.80 3 0.2
assign (resid 45 and name HN)(resid 45 and name HG2) 4.10 2.3 0.2
assign (resid 45 and name HN)(resid 46 and name HN) 3.40 1.6 0.2
assign (resid 45 and name HA)(resid 46 and name HN) 3.40 1.6 0.2
assign (resid 45 and name HA)(resid 48 and name HN) 3.90 2.1 0.2
assign (resid 45 and name HA)(resid 48 and name HB1) 3.40 1.6 0.2
assign (resid 45 and name HA)(resid 48 and name HG1) 5.00 3.2 0.2
assign (resid 45 and name HA)(resid 49 and name HN) 4.30 2.5 0.2
assign (resid 45 and name O)(resid 49 and name HN) 2.30 0.5 0.2
assign (resid 45 and name O)(resid 49 and name N) 3.00 1.2 0.2
assign (resid 45 and name HB1)(resid 46 and name HN) 4.10 2.3 0.2
assign (resid 45 and name HB1)(resid 49 and name HN) 4.80 3 0.2
assign (resid 46 and name HN)(resid 46 and name HG1) 3.20 1.4 0.2
assign (resid 46 and name HN)(resid 46 and name HG2) 4.00 2.2 0.2
assign (resid 46 and name HN)(resid 47 and name HN) 3.10 1.3 0.2
assign (resid 46 and name HN)(resid 47 and name HB) 4.80 3 0.2
assign (resid 46 and name HN)(resid 47 and name HG1#) 6.00 4.2 0.2
assign (resid 46 and name HN)(resid 47 and name HG1#) 6.00 4.2 0.2
assign (resid 46 and name HA)(resid 46 and name HG1) 3.30 1.5 0.2
assign (resid 46 and name O)(resid 50 and name HN) 2.30 0.5 0.2
assign (resid 46 and name O)(resid 50 and name N) 3.00 1.2 0.2
assign (resid 46 and name HB1)(resid 47 and name HN) 3.40 1.6 0.2
assign (resid 46 and name HB2)(resid 47 and name HN) 4.00 2.2 0.2
assign (resid 46 and name HG1)(resid 47 and name HN) 3.60 1.8 0.2
assign (resid 46 and name HG2)(resid 47 and name HN) 5.00 3.2 0.2
assign (resid 47 and name HN)(resid 47 and name HB) 2.70 0.9 0.2
assign (resid 47 and name HN)(resid 47 and name HG1#) 4.50 2.7 0.2
assign (resid 47 and name HN)(resid 48 and name HN) 3.40 1.6 0.2
assign (resid 47 and name HA)(resid 50 and name HN) 4.10 2.3 0.2
assign (resid 47 and name HA)(resid 50 and name HB#) 6.00 4.2 0.2
assign (resid 47 and name HB)(resid 48 and name HN) 3.10 1.3 0.2
assign (resid 47 and name HB)(resid 61 and name HZ2) 5.00 3.2 0.2
assign (resid 47 and name HB)(resid 61 and name HH2) 4.70 2.9 0.2
assign (resid 47 and name HG1#)(resid 48 and name HN) 6.00 4.2 0.2
assign (resid 47 and name HG1#)(resid 48 and name HN) 6.00 4.2 0.2
assign (resid 47 and name HG1#)(resid 48 and name HA) 6.00 4.2 0.2
assign (resid 47 and name HG1#)(resid 51 and name HG#) 7.00 5.2 0.2
assign (resid 47 and name HG1#)(resid 51 and name HE#) 7.00 5.2 0.2
assign (resid 47 and name HG1#)(resid 61 and name HZ2) 6.00 4.2 0.2
assign (resid 47 and name HG1#)(resid 61 and name HH2) 5.90 4.1 0.2
assign (resid 48 and name HN)(resid 48 and name HB1) 2.80 1 0.2
assign (resid 48 and name HN)(resid 48 and name HG1) 3.30 1.5 0.2
assign (resid 48 and name HN)(resid 48 and name HG2) 3.70 1.9 0.2
assign (resid 48 and name HN)(resid 49 and name HN) 3.30 1.5 0.2
assign (resid 48 and name HN)(resid 50 and name HN) 4.60 2.8 0.2
assign (resid 48 and name O)(resid 51 and name HN) 2.30 0.5 0.2
assign (resid 48 and name O)(resid 51 and name N) 3.00 1.2 0.2
assign (resid 48 and name HA)(resid 48 and name HG1) 4.00 2.2 0.2
assign (resid 48 and name HA)(resid 48 and name HG2) 3.60 1.8 0.2
assign (resid 48 and name HA)(resid 50 and name HN) 5.00 3.2 0.2
assign (resid 48 and name HA)(resid 51 and name HN) 3.40 1.6 0.2
assign (resid 48 and name HA)(resid 51 and name HB#) 3.90 2.1 0.2
assign (resid 48 and name HA)(resid 52 and name HN) 4.60 2.8 0.2
assign (resid 48 and name HA)(resid 61 and name HZ2) 5.00 3.2 0.2
assign (resid 48 and name O)(resid 52 and name HN) 2.30 0.5 0.2
assign (resid 48 and name O)(resid 52 and name N) 3.00 1.2 0.2
assign (resid 48 and name HB1)(resid 49 and name HN) 4.40 2.6 0.2
assign (resid 48 and name HB2)(resid 49 and name HN) 2.90 1.1 0.2
assign (resid 48 and name HG1)(resid 61 and name HZ2) 4.20 2.4 0.2
assign (resid 48 and name HG2)(resid 61 and name HZ2) 3.50 1.7 0.2
assign (resid 49 and name HN)(resid 49 and name HG#) 6.00 4.2 0.2
assign (resid 49 and name HN)(resid 50 and name HN) 3.10 1.3 0.2
assign (resid 49 and name HN)(resid 51 and name HN) 4.70 2.9 0.2
assign (resid 49 and name HA)(resid 52 and name HN) 3.30 1.5 0.2
assign (resid 49 and name HA)(resid 52 and name HB1) 3.80 2 0.2
assign (resid 49 and name HA)(resid 52 and name HB2) 3.70 1.9 0.2
assign (resid 49 and name O)(resid 53 and name HN) 2.30 0.5 0.2
assign (resid 49 and name O)(resid 53 and name N) 3.00 1.2 0.2
assign (resid 50 and name HN)(resid 51 and name HN) 2.70 0.9 0.2
assign (resid 50 and name HN)(resid 53 and name HN) 4.80 3 0.2
assign (resid 50 and name HA)(resid 53 and name HN) 4.40 2.6 0.2
assign (resid 50 and name HA)(resid 53 and name HG1#) 6.00 4.2 0.2
assign (resid 50 and name HB#)(resid 51 and name HA) 6.00 4.2 0.2
assign (resid 51 and name HN)(resid 51 and name HB1) 2.80 1 0.2
assign (resid 51 and name HN)(resid 51 and name HB2) 2.60 0.8 0.2
assign (resid 51 and name HN)(resid 51 and name HG#) 6.00 4.2 0.2
assign (resid 51 and name HN)(resid 52 and name HN) 3.00 1.2 0.2
assign (resid 51 and name HA)(resid 53 and name HN) 5.00 3.2 0.2
assign (resid 51 and name HA)(resid 59 and name HG1#) 6.00 4.2 0.2
assign (resid 51 and name HA)(resid 59 and name HG1#) 6.00 4.2 0.2
assign (resid 51 and name HB1)(resid 51 and name HE#) 6.00 4.2 0.2
assign (resid 51 and name HB1)(resid 52 and name HN) 3.10 1.3 0.2
assign (resid 51 and name HB2)(resid 51 and name HE#) 6.00 4.2 0.2
assign (resid 51 and name HB2)(resid 52 and name HN) 5.00 3.2 0.2
assign (resid 51 and name HB2)(resid 59 and name HG1#) 6.00 4.2 0.2
assign (resid 51 and name HG#)(resid 59 and name HG1#) 7.00 5.2 0.2
assign (resid 51 and name HE#)(resid 60 and name HN) 6.00 4.2 0.2
assign (resid 51 and name HE#)(resid 61 and name HN) 6.00 4.2 0.2
assign (resid 51 and name HE#)(resid 61 and name HD1) 6.00 4.2 0.2
assign (resid 51 and name HE#)(resid 61 and name HE1) 6.00 4.2 0.2
assign (resid 51 and name HE#)(resid 61 and name HZ2) 6.00 4.2 0.2
assign (resid 52 and name HN)(resid 52 and name HB1) 3.10 1.3 0.2
assign (resid 52 and name HN)(resid 52 and name HB2) 4.10 2.3 0.2
assign (resid 52 and name HN)(resid 53 and name HN) 3.60 1.8 0.2
assign (resid 52 and name HB1)(resid 53 and name HN) 4.90 3.1 0.2
assign (resid 52 and name HB2)(resid 53 and name HN) 5.00 3.2 0.2
assign (resid 54 and name HB1)(resid 57 and name HA) 3.00 1.2 0.2
assign (resid 54 and name HB1)(resid 57 and name HG#) 4.00 2.2 0.2
assign (resid 54 and name HB1)(resid 59 and name HB) 5.00 3.2 0.2
assign (resid 55 and name HA)(resid 57 and name HN) 5.00 3.2 0.2
assign (resid 58 and name HA)(resid 60 and name HD1) 5.00 3.2 0.2
assign (resid 59 and name HA)(resid 60 and name HN) 3.50 1.7 0.2
assign (resid 59 and name HG1#)(resid 60 and name HN) 6.00 4.2 0.2
assign (resid 60 and name HN)(resid 60 and name HD1) 5.00 3.2 0.2
assign (resid 60 and name HA)(resid 61 and name HN) 3.50 1.7 0.2
assign (resid 60 and name HB1)(resid 61 and name HN) 3.20 1.4 0.2
assign (resid 60 and name HB2)(resid 61 and name HN) 5.00 3.2 0.2
assign (resid 61 and name HN)(resid 61 and name HD1) 5.00 3.2 0.2
assign (resid 61 and name HA)(resid 61 and name HE3) 3.40 1.6 0.2
assign (resid 61 and name HA)(resid 62 and name HN) 3.00 1.2 0.2
assign (resid 61 and name HB1)(resid 62 and name HN) 3.60 1.8 0.2
assign (resid 61 and name HB1)(resid 63 and name HN) 5.00 3.2 0.2
assign (resid 61 and name HB2)(resid 61 and name HD1) 3.50 1.7 0.2
assign (resid 61 and name HB2)(resid 61 and name HE3) 3.70 1.9 0.2
assign (resid 61 and name HB2)(resid 62 and name HN) 5.00 3.2 0.2
assign (resid 61 and name HE3)(resid 62 and name HN) 5.00 3.2 0.2
assign (resid 62 and name HN)(resid 62 and name HB1) 4.20 2.4 0.2
assign (resid 62 and name HN)(resid 62 and name HB2) 3.40 1.6 0.2
assign (resid 62 and name HN)(resid 62 and name HG1) 5.00 3.2 0.2
assign (resid 62 and name HN)(resid 62 and name HG2) 5.00 3.2 0.2
assign (resid 62 and name HA)(resid 62 and name HG1) 3.50 1.7 0.2
assign (resid 62 and name HA)(resid 63 and name HN) 3.40 1.6 0.2
assign (resid 62 and name HB1)(resid 63 and name HN) 5.00 3.2 0.2
assign (resid 62 and name HB2)(resid 63 and name HN) 5.00 3.2 0.2
assign (resid 63 and name HN)(resid 64 and name HN) 5.00 3.2 0.2
assign (resid 63 and name HN)(resid 64 and name HB#) 6.00 4.2 0.2

REMARK Angle restraints
REStraints
   DIHEdral

     reset

     assign (resid 11 and name CA) (resid 11 and name CB) 
            (resid 11 and name SG) (resid 65 and name FE1) 1 75.00 0.0 2
     assign (resid 14 and name CA) (resid 14 and name CB) 
            (resid 14 and name SG) (resid 65 and name FE2) 1 315 0.0 2
     assign (resid 17 and name CA) (resid 17 and name CB) 
            (resid 17 and name SG) (resid 65 and name FE3) 1 245 0.0 2
     assign (resid 54 and name CA) (resid 54 and name CB) 
            (resid 54 and name SG) (resid 65 and name FE4) 1 80 0.0 2

   end
end


  Entry H atom name         Submitted Coord H atom name
    1   1H    ALA   1           HT3      ALA   1   1.762  -0.359  -1.100
    2   2H    ALA   1           HT2      ALA   1   0.105  -0.618  -1.373
    3   3H    ALA   1           HT1      ALA   1   0.634   0.822  -0.644
    4    HA   ALA   1           HA       ALA   1   0.795  -0.082   1.382
    5   1HB   ALA   1           HB3      ALA   1  -0.834  -2.199  -0.057
    6   2HB   ALA   1           HB2      ALA   1  -0.764  -2.001   1.694
    7   3HB   ALA   1           HB1      ALA   1  -1.463  -0.730   0.690
    8    H    ARG   2           HN       ARG   2   0.430  -3.355   0.943
    9    HA   ARG   2           HA       ARG   2   3.370  -3.775   1.264
   10   1HB   ARG   2           HB2      ARG   2   1.011  -4.867   2.603
   11   2HB   ARG   2           HB1      ARG   2   2.098  -6.130   2.022
   12   1HG   ARG   2           HG2      ARG   2   3.951  -5.223   3.235
   13   2HG   ARG   2           HG1      ARG   2   3.073  -3.735   3.593
   14   1HD   ARG   2           HD2      ARG   2   1.413  -5.747   4.578
   15   2HD   ARG   2           HD1      ARG   2   3.036  -6.285   5.008
   16    HE   ARG   2           HE       ARG   2   2.558  -3.473   5.632
   17   1HH1  ARG   2          HH11      ARG   2   3.092  -3.095   7.829
   18   2HH1  ARG   2          HH12      ARG   2   2.700  -4.312   8.997
   19   1HH2  ARG   2          HH21      ARG   2   1.686  -6.634   6.629
   20   2HH2  ARG   2          HH22      ARG   2   1.903  -6.316   8.318
   21    H    LYS   3           HN       LYS   3   4.411  -4.909  -0.311
   22    HA   LYS   3           HA       LYS   3   2.730  -6.513  -2.198
   23   1HB   LYS   3           HB2      LYS   3   3.985  -4.225  -2.910
   24   2HB   LYS   3           HB1      LYS   3   5.295  -5.376  -3.179
   25   1HG   LYS   3           HG2      LYS   3   4.324  -6.090  -5.076
   26   2HG   LYS   3           HG1      LYS   3   2.845  -6.484  -4.200
   27   1HD   LYS   3           HD2      LYS   3   2.451  -3.880  -4.288
   28   2HD   LYS   3           HD1      LYS   3   3.571  -3.958  -5.648
   29   1HE   LYS   3           HE2      LYS   3   1.919  -6.052  -6.226
   30   2HE   LYS   3           HE1      LYS   3   0.793  -4.949  -5.434
   31   1HZ   LYS   3           HZ3      LYS   3   1.823  -3.192  -6.950
   32   2HZ   LYS   3           HZ2      LYS   3   2.425  -4.499  -7.853
   33   3HZ   LYS   3           HZ1      LYS   3   0.749  -4.305  -7.648
   34    H    PHE   4           HN       PHE   4   5.059  -7.474  -3.636
   35    HA   PHE   4           HA       PHE   4   7.131  -8.581  -2.162
   36   1HB   PHE   4           HB2      PHE   4   6.278 -10.811  -1.494
   37   2HB   PHE   4           HB1      PHE   4   5.446  -9.515  -0.634
   38    HD1  PHE   4           HD1      PHE   4   3.110  -9.467  -0.630
   39    HD2  PHE   4           HD2      PHE   4   5.167 -11.570  -3.760
   40    HE1  PHE   4           HE1      PHE   4   0.938 -10.273  -1.516
   41    HE2  PHE   4           HE2      PHE   4   2.995 -12.376  -4.645
   42    HZ   PHE   4           HZ       PHE   4   0.881 -11.727  -3.524
   43    H    TYR   5           HN       TYR   5   7.774 -10.880  -3.132
   44    HA   TYR   5           HA       TYR   5   6.733 -11.802  -5.583
   45   1HB   TYR   5           HB2      TYR   5   8.143 -10.730  -7.249
   46   2HB   TYR   5           HB1      TYR   5   7.285  -9.476  -6.354
   47    HD1  TYR   5           HD1      TYR   5  10.494 -10.714  -7.357
   48    HD2  TYR   5           HD2      TYR   5   8.494  -8.413  -4.331
   49    HE1  TYR   5           HE1      TYR   5  12.659  -9.699  -6.697
   50    HE2  TYR   5           HE2      TYR   5  10.659  -7.397  -3.672
   51    HH   TYR   5           HH       TYR   5  13.214  -8.217  -3.889
   52    H    VAL   6           HN       VAL   6   9.176 -12.343  -6.966
   53    HA   VAL   6           HA       VAL   6  10.990 -13.523  -4.959
   54    HB   VAL   6           HB       VAL   6  10.234 -15.501  -6.985
   55   1HG1  VAL   6          HG13      VAL   6  11.548 -15.556  -4.650
   56   2HG1  VAL   6          HG12      VAL   6   9.929 -15.908  -4.045
   57   3HG1  VAL   6          HG11      VAL   6  10.667 -16.958  -5.254
   58   1HG2  VAL   6          HG23      VAL   6   8.045 -14.251  -6.486
   59   2HG2  VAL   6          HG22      VAL   6   8.035 -15.991  -6.198
   60   3HG2  VAL   6          HG21      VAL   6   8.192 -14.874  -4.843
   61    H    ASP   7           HN       ASP   7  12.830 -14.714  -6.192
   62    HA   ASP   7           HA       ASP   7  13.349 -13.281  -8.763
   63   1HB   ASP   7           HB2      ASP   7  14.735 -12.954  -6.356
   64   2HB   ASP   7           HB1      ASP   7  15.762 -14.025  -7.310
   65    H    GLN   8           HN       GLN   8  12.178 -15.792  -8.748
   66    HA   GLN   8           HA       GLN   8  12.988 -18.182  -8.837
   67   1HB   GLN   8           HB2      GLN   8  13.012 -16.655 -11.453
   68   2HB   GLN   8           HB1      GLN   8  13.063 -18.414 -11.350
   69   1HG   GLN   8           HG2      GLN   8  10.772 -18.047 -11.554
   70   2HG   GLN   8           HG1      GLN   8  10.954 -18.084  -9.799
   71   1HE2  GLN   8          HE22      GLN   8  10.079 -14.686  -9.373
   72   2HE2  GLN   8          HE21      GLN   8  10.580 -16.127  -8.629
   73    H    ASP   9           HN       ASP   9  15.260 -15.805  -8.869
   74    HA   ASP   9           HA       ASP   9  17.408 -16.950 -10.377
   75   1HB   ASP   9           HB2      ASP   9  17.048 -14.631  -8.929
   76   2HB   ASP   9           HB1      ASP   9  18.200 -15.521  -7.932
   77    H    GLU  10           HN       GLU  10  16.454 -17.291  -6.962
   78    HA   GLU  10           HA       GLU  10  18.491 -19.450  -6.682
   79   1HB   GLU  10           HB2      GLU  10  18.417 -17.553  -5.003
   80   2HB   GLU  10           HB1      GLU  10  16.837 -18.154  -4.499
   81   1HG   GLU  10           HG2      GLU  10  17.926 -19.551  -3.103
   82   2HG   GLU  10           HG1      GLU  10  18.473 -20.425  -4.534
   83    H    CYS  11           HN       CYS  11  16.036 -19.877  -8.174
   84    HA   CYS  11           HA       CYS  11  14.484 -21.628  -6.327
   85   1HB   CYS  11           HB1      CYS  11  13.078 -20.105  -7.561
   86   2HB   CYS  11           HB2      CYS  11  13.864 -20.528  -9.081
   87    H    ILE  12           HN       ILE  12  15.038 -23.743  -6.349
   88    HA   ILE  12           HA       ILE  12  16.799 -24.861  -8.346
   89    HB   ILE  12           HB       ILE  12  16.228 -27.044  -7.196
   90   1HG1  ILE  12          HG12      ILE  12  14.534 -25.184  -5.495
   91   2HG1  ILE  12          HG11      ILE  12  13.920 -26.456  -6.552
   92   1HG2  ILE  12          HG23      ILE  12  17.934 -25.150  -6.445
   93   2HG2  ILE  12          HG22      ILE  12  16.834 -25.023  -5.072
   94   3HG2  ILE  12          HG21      ILE  12  17.635 -26.555  -5.421
   95   1HD1  ILE  12          HD12      ILE  12  15.786 -26.912  -4.205
   96   2HD1  ILE  12          HD11      ILE  12  14.044 -27.187  -4.175
   97   3HD1  ILE  12          HD13      ILE  12  15.071 -28.159  -5.227
   98    H    ALA  13           HN       ALA  13  13.450 -25.843  -7.518
   99    HA   ALA  13           HA       ALA  13  12.208 -25.600  -9.965
  100   1HB   ALA  13           HB2      ALA  13  14.344 -27.071 -10.581
  101   2HB   ALA  13           HB1      ALA  13  13.299 -28.383 -10.036
  102   3HB   ALA  13           HB3      ALA  13  12.789 -27.345 -11.367
  103    H    CYS  14           HN       CYS  14  11.891 -26.147  -7.004
  104    HA   CYS  14           HA       CYS  14  10.106 -28.520  -7.075
  105   1HB   CYS  14           HB1      CYS  14  10.443 -28.703  -4.825
  106   2HB   CYS  14           HB2      CYS  14  11.862 -27.717  -5.168
  107    H    GLU  15           HN       GLU  15   7.876 -28.348  -6.663
  108    HA   GLU  15           HA       GLU  15   6.744 -25.664  -7.170
  109   1HB   GLU  15           HB2      GLU  15   5.392 -28.372  -6.955
  110   2HB   GLU  15           HB1      GLU  15   4.617 -26.875  -7.474
  111   1HG   GLU  15           HG2      GLU  15   5.926 -26.754  -9.452
  112   2HG   GLU  15           HG1      GLU  15   7.072 -27.958  -8.862
  113    H    SER  16           HN       SER  16   7.863 -26.891  -4.474
  114    HA   SER  16           HA       SER  16   5.923 -27.209  -2.538
  115   1HB   SER  16           HB2      SER  16   8.482 -25.605  -2.436
  116   2HB   SER  16           HB1      SER  16   7.473 -25.844  -1.013
  117    HG   SER  16           HG       SER  16   9.102 -27.449  -1.221
  118    H    CYS  17           HN       CYS  17   7.208 -23.996  -3.478
  119    HA   CYS  17           HA       CYS  17   5.166 -22.529  -2.096
  120   1HB   CYS  17           HB1      CYS  17   6.028 -20.600  -3.223
  121   2HB   CYS  17           HB2      CYS  17   7.414 -21.653  -2.938
  122    H    VAL  18           HN       VAL  18   5.552 -23.281  -5.578
  123    HA   VAL  18           HA       VAL  18   3.289 -22.131  -6.646
  124    HB   VAL  18           HB       VAL  18   4.353 -24.921  -7.174
  125   1HG1  VAL  18          HG13      VAL  18   2.239 -23.267  -8.551
  126   2HG1  VAL  18          HG12      VAL  18   3.169 -24.476  -9.437
  127   3HG1  VAL  18          HG11      VAL  18   2.167 -24.962  -8.070
  128   1HG2  VAL  18          HG21      VAL  18   4.752 -22.246  -8.551
  129   2HG2  VAL  18          HG23      VAL  18   5.960 -23.125  -7.614
  130   3HG2  VAL  18          HG22      VAL  18   5.378 -23.784  -9.144
  131    H    GLU  19           HN       GLU  19   3.401 -25.162  -4.777
  132    HA   GLU  19           HA       GLU  19   0.587 -25.719  -5.017
  133   1HB   GLU  19           HB2      GLU  19   2.875 -26.786  -3.534
  134   2HB   GLU  19           HB1      GLU  19   1.383 -26.827  -2.594
  135   1HG   GLU  19           HG2      GLU  19   0.803 -27.639  -5.287
  136   2HG   GLU  19           HG1      GLU  19   2.165 -28.586  -4.686
  137    H    ILE  20           HN       ILE  20   2.479 -24.298  -2.324
  138    HA   ILE  20           HA       ILE  20   0.186 -23.607  -0.756
  139    HB   ILE  20           HB       ILE  20   2.982 -22.499  -0.830
  140   1HG1  ILE  20          HG12      ILE  20   2.394 -23.667   1.584
  141   2HG1  ILE  20          HG11      ILE  20   1.698 -24.726   0.374
  142   1HG2  ILE  20          HG21      ILE  20   0.589 -21.645   0.716
  143   2HG2  ILE  20          HG23      ILE  20   2.142 -21.685   1.550
  144   3HG2  ILE  20          HG22      ILE  20   1.934 -20.673   0.120
  145   1HD1  ILE  20          HD13      ILE  20   4.515 -23.669   0.179
  146   2HD1  ILE  20          HD12      ILE  20   4.132 -25.197   0.972
  147   3HD1  ILE  20          HD11      ILE  20   3.790 -24.985  -0.745
  148    H    ALA  21           HN       ALA  21   0.743 -22.650  -3.775
  149    HA   ALA  21           HA       ALA  21  -1.041 -20.423  -3.689
  150   1HB   ALA  21           HB2      ALA  21   1.904 -19.733  -3.921
  151   2HB   ALA  21           HB1      ALA  21   0.588 -18.619  -4.294
  152   3HB   ALA  21           HB3      ALA  21   0.799 -19.213  -2.648
  153    HA   PRO  22           HA       PRO  22   0.029 -22.405  -7.758
  154   1HB   PRO  22           HB2      PRO  22  -2.408 -23.512  -8.231
  155   2HB   PRO  22           HB1      PRO  22  -1.128 -24.343  -7.348
  156   1HG   PRO  22           HG2      PRO  22  -3.539 -22.941  -6.287
  157   2HG   PRO  22           HG1      PRO  22  -2.751 -24.413  -5.699
  158   1HD   PRO  22           HD2      PRO  22  -2.454 -21.943  -4.536
  159   2HD   PRO  22           HD1      PRO  22  -1.262 -23.252  -4.412
  160    H    GLY  23           HN       GLY  23  -0.916 -19.685  -6.965
  161   1HA   GLY  23           HA2      GLY  23  -2.421 -19.081  -9.462
  162   2HA   GLY  23           HA1      GLY  23  -3.012 -18.431  -7.932
  163    H    ALA  24           HN       ALA  24  -0.360 -17.973  -6.814
  164    HA   ALA  24           HA       ALA  24   0.315 -15.530  -8.377
  165   1HB   ALA  24           HB2      ALA  24  -0.256 -15.275  -5.962
  166   2HB   ALA  24           HB1      ALA  24   1.120 -16.301  -5.555
  167   3HB   ALA  24           HB3      ALA  24   1.383 -14.737  -6.326
  168    H    PHE  25           HN       PHE  25   1.855 -18.339  -6.804
  169    HA   PHE  25           HA       PHE  25   4.404 -17.677  -8.169
  170   1HB   PHE  25           HB2      PHE  25   3.700 -18.986  -5.724
  171   2HB   PHE  25           HB1      PHE  25   4.552 -20.148  -6.740
  172    HD1  PHE  25           HD1      PHE  25   6.586 -18.914  -8.136
  173    HD2  PHE  25           HD2      PHE  25   5.065 -17.775  -4.284
  174    HE1  PHE  25           HE1      PHE  25   8.738 -17.797  -7.617
  175    HE2  PHE  25           HE2      PHE  25   7.217 -16.658  -3.764
  176    HZ   PHE  25           HZ       PHE  25   9.053 -16.668  -5.432
  177    H    ALA  26           HN       ALA  26   5.261 -18.958  -9.803
  178    HA   ALA  26           HA       ALA  26   4.319 -21.583 -10.475
  179   1HB   ALA  26           HB1      ALA  26   3.251 -19.304 -12.171
  180   2HB   ALA  26           HB3      ALA  26   3.130 -21.016 -12.581
  181   3HB   ALA  26           HB2      ALA  26   2.289 -20.385 -11.164
  182    H    MET  27           HN       MET  27   6.267 -22.329 -11.175
  183    HA   MET  27           HA       MET  27   8.346 -20.728 -12.266
  184   1HB   MET  27           HB2      MET  27   9.215 -22.984 -13.135
  185   2HB   MET  27           HB1      MET  27   8.959 -22.858 -11.394
  186   1HG   MET  27           HG2      MET  27   6.918 -24.074 -11.500
  187   2HG   MET  27           HG1      MET  27   6.817 -23.904 -13.253
  188   1HE   MET  27           HE3      MET  27   6.976 -25.586 -14.546
  189   2HE   MET  27           HE2      MET  27   7.831 -27.117 -14.375
  190   3HE   MET  27           HE1      MET  27   6.446 -26.770 -13.343
  191    H    ASP  28           HN       ASP  28   9.027 -20.413 -14.446
  192    HA   ASP  28           HA       ASP  28   7.003 -21.158 -16.516
  193   1HB   ASP  28           HB2      ASP  28   7.014 -18.693 -15.801
  194   2HB   ASP  28           HB1      ASP  28   8.613 -18.597 -16.542
  195    HA   PRO  29           HA       PRO  29  10.475 -22.399 -18.911
  196   1HB   PRO  29           HB2      PRO  29   9.859 -21.596 -21.430
  197   2HB   PRO  29           HB1      PRO  29   8.998 -22.897 -20.609
  198   1HG   PRO  29           HG2      PRO  29   8.113 -20.133 -21.164
  199   2HG   PRO  29           HG1      PRO  29   7.145 -21.589 -20.897
  200   1HD   PRO  29           HD2      PRO  29   7.660 -19.511 -19.038
  201   2HD   PRO  29           HD1      PRO  29   6.849 -21.051 -18.723
  202    H    GLU  30           HN       GLU  30   9.508 -19.055 -19.207
  203    HA   GLU  30           HA       GLU  30  11.999 -18.116 -20.405
  204   1HB   GLU  30           HB2      GLU  30   9.529 -16.984 -20.062
  205   2HB   GLU  30           HB1      GLU  30  10.425 -16.227 -18.745
  206   1HG   GLU  30           HG2      GLU  30  12.200 -15.579 -20.378
  207   2HG   GLU  30           HG1      GLU  30  11.202 -16.237 -21.676
  208    H    ILE  31           HN       ILE  31  10.630 -18.447 -17.189
  209    HA   ILE  31           HA       ILE  31  13.295 -17.801 -16.009
  210    HB   ILE  31           HB       ILE  31  11.853 -17.592 -13.856
  211   1HG1  ILE  31          HG12      ILE  31   9.725 -17.282 -16.001
  212   2HG1  ILE  31          HG11      ILE  31   9.825 -18.618 -14.854
  213   1HG2  ILE  31          HG21      ILE  31  12.874 -15.743 -15.421
  214   2HG2  ILE  31          HG23      ILE  31  11.194 -15.477 -15.887
  215   3HG2  ILE  31          HG22      ILE  31  11.682 -15.288 -14.204
  216   1HD1  ILE  31          HD12      ILE  31   9.948 -16.019 -13.529
  217   2HD1  ILE  31          HD11      ILE  31   8.460 -16.227 -14.451
  218   3HD1  ILE  31          HD13      ILE  31   8.894 -17.393 -13.201
  219    H    GLU  32           HN       GLU  32  11.859 -20.304 -17.173
  220    HA   GLU  32           HA       GLU  32  11.239 -22.477 -16.262
  221   1HB   GLU  32           HB2      GLU  32  14.226 -22.009 -16.300
  222   2HB   GLU  32           HB1      GLU  32  13.545 -23.598 -15.946
  223   1HG   GLU  32           HG2      GLU  32  12.313 -23.542 -18.091
  224   2HG   GLU  32           HG1      GLU  32  13.023 -21.967 -18.450
  225    H    LYS  33           HN       LYS  33  10.748 -20.700 -14.193
  226    HA   LYS  33           HA       LYS  33  11.342 -22.390 -11.878
  227   1HB   LYS  33           HB2      LYS  33  12.718 -19.780 -12.327
  228   2HB   LYS  33           HB1      LYS  33  12.160 -20.132 -10.691
  229   1HG   LYS  33           HG2      LYS  33  13.790 -21.659 -10.367
  230   2HG   LYS  33           HG1      LYS  33  13.456 -22.441 -11.912
  231   1HD   LYS  33           HD2      LYS  33  14.642 -20.343 -12.936
  232   2HD   LYS  33           HD1      LYS  33  15.316 -20.154 -11.316
  233   1HE   LYS  33           HE2      LYS  33  15.843 -22.737 -11.592
  234   2HE   LYS  33           HE1      LYS  33  15.760 -22.344 -13.309
  235   1HZ   LYS  33           HZ2      LYS  33  17.255 -20.343 -12.456
  236   2HZ   LYS  33           HZ1      LYS  33  17.695 -21.507 -11.300
  237   3HZ   LYS  33           HZ3      LYS  33  17.915 -21.829 -12.951
  238    H    ALA  34           HN       ALA  34  10.256 -21.407  -9.871
  239    HA   ALA  34           HA       ALA  34   7.579 -20.544 -10.624
  240   1HB   ALA  34           HB2      ALA  34   8.419 -22.022  -8.583
  241   2HB   ALA  34           HB1      ALA  34   8.539 -20.452  -7.789
  242   3HB   ALA  34           HB3      ALA  34   6.989 -21.000  -8.428
  243    H    TYR  35           HN       TYR  35   6.789 -18.478 -10.611
  244    HA   TYR  35           HA       TYR  35   8.425 -16.355  -9.301
  245   1HB   TYR  35           HB2      TYR  35   8.248 -14.920 -11.221
  246   2HB   TYR  35           HB1      TYR  35   8.839 -16.475 -11.807
  247    HD1  TYR  35           HD1      TYR  35   7.128 -14.134 -13.189
  248    HD2  TYR  35           HD2      TYR  35   6.234 -18.021 -11.594
  249    HE1  TYR  35           HE1      TYR  35   5.174 -14.309 -14.707
  250    HE2  TYR  35           HE2      TYR  35   4.282 -18.195 -13.111
  251    HH   TYR  35           HH       TYR  35   3.841 -16.382 -15.754
  252    H    VAL  36           HN       VAL  36   7.187 -14.806  -8.261
  253    HA   VAL  36           HA       VAL  36   4.346 -15.368  -7.930
  254    HB   VAL  36           HB       VAL  36   6.257 -14.165  -6.363
  255   1HG1  VAL  36          HG12      VAL  36   6.118 -12.110  -7.757
  256   2HG1  VAL  36          HG11      VAL  36   4.398 -11.995  -7.387
  257   3HG1  VAL  36          HG13      VAL  36   5.590 -11.820  -6.100
  258   1HG2  VAL  36          HG21      VAL  36   4.089 -15.229  -5.686
  259   2HG2  VAL  36          HG23      VAL  36   4.417 -13.724  -4.825
  260   3HG2  VAL  36          HG22      VAL  36   3.259 -13.745  -6.155
  261    H    LYS  37           HN       LYS  37   3.792 -15.057 -10.257
  262    HA   LYS  37           HA       LYS  37   3.950 -12.331 -11.329
  263   1HB   LYS  37           HB2      LYS  37   2.752 -13.275 -13.265
  264   2HB   LYS  37           HB1      LYS  37   4.124 -14.293 -12.827
  265   1HG   LYS  37           HG2      LYS  37   2.764 -16.047 -12.457
  266   2HG   LYS  37           HG1      LYS  37   1.797 -15.101 -11.325
  267   1HD   LYS  37           HD2      LYS  37   0.408 -14.251 -13.082
  268   2HD   LYS  37           HD1      LYS  37   1.494 -14.869 -14.327
  269   1HE   LYS  37           HE2      LYS  37   1.007 -17.191 -13.534
  270   2HE   LYS  37           HE1      LYS  37  -0.174 -16.519 -12.409
  271   1HZ   LYS  37           HZ2      LYS  37  -0.346 -15.788 -15.244
  272   2HZ   LYS  37           HZ1      LYS  37  -0.895 -17.322 -14.765
  273   3HZ   LYS  37           HZ3      LYS  37  -1.582 -15.928 -14.088
  274    H    ASP  38           HN       ASP  38   1.502 -14.430  -9.872
  275    HA   ASP  38           HA       ASP  38  -0.431 -12.155 -10.033
  276   1HB   ASP  38           HB2      ASP  38  -1.205 -14.248 -11.096
  277   2HB   ASP  38           HB1      ASP  38  -0.958 -15.108  -9.576
  278    H    VAL  39           HN       VAL  39   0.067 -11.015  -8.156
  279    HA   VAL  39           HA       VAL  39   0.724 -12.255  -5.647
  280    HB   VAL  39           HB       VAL  39   0.260  -9.993  -4.691
  281   1HG1  VAL  39          HG11      VAL  39   2.248 -10.764  -6.498
  282   2HG1  VAL  39          HG13      VAL  39   1.718  -9.186  -7.082
  283   3HG1  VAL  39          HG12      VAL  39   2.300  -9.364  -5.427
  284   1HG2  VAL  39          HG21      VAL  39  -1.618  -9.697  -6.543
  285   2HG2  VAL  39          HG23      VAL  39  -0.745  -8.296  -5.923
  286   3HG2  VAL  39          HG22      VAL  39  -0.286  -9.008  -7.470
  287    H    GLU  40           HN       GLU  40  -2.290 -11.565  -7.245
  288    HA   GLU  40           HA       GLU  40  -3.889 -11.812  -4.798
  289   1HB   GLU  40           HB2      GLU  40  -4.503 -11.491  -7.728
  290   2HB   GLU  40           HB1      GLU  40  -5.778 -11.960  -6.602
  291   1HG   GLU  40           HG2      GLU  40  -5.319  -9.972  -5.229
  292   2HG   GLU  40           HG1      GLU  40  -4.021  -9.503  -6.328
  293    H    GLY  41           HN       GLY  41  -2.436 -13.950  -7.034
  294   1HA   GLY  41           HA2      GLY  41  -4.373 -16.090  -6.915
  295   2HA   GLY  41           HA1      GLY  41  -2.688 -16.258  -7.408
  296    H    ALA  42           HN       ALA  42  -1.921 -14.939  -4.747
  297    HA   ALA  42           HA       ALA  42  -2.493 -17.273  -2.971
  298   1HB   ALA  42           HB3      ALA  42  -0.015 -16.689  -4.156
  299   2HB   ALA  42           HB2      ALA  42   0.129 -16.121  -2.493
  300   3HB   ALA  42           HB1      ALA  42  -0.307 -17.799  -2.816
  301    H    SER  43           HN       SER  43  -3.416 -16.558  -1.118
  302    HA   SER  43           HA       SER  43  -3.505 -13.744  -0.445
  303   1HB   SER  43           HB2      SER  43  -4.165 -15.440   1.794
  304   2HB   SER  43           HB1      SER  43  -5.233 -14.432   0.821
  305    HG   SER  43           HG       SER  43  -5.902 -16.499   0.497
  306    H    GLN  44           HN       GLN  44  -2.700 -12.873   1.656
  307    HA   GLN  44           HA       GLN  44   0.057 -13.145   2.005
  308   1HB   GLN  44           HB2      GLN  44  -2.078 -12.380   4.014
  309   2HB   GLN  44           HB1      GLN  44  -0.350 -12.237   4.341
  310   1HG   GLN  44           HG2      GLN  44  -0.049 -10.551   2.762
  311   2HG   GLN  44           HG1      GLN  44  -1.466 -11.035   1.829
  312   1HE2  GLN  44          HE22      GLN  44  -1.922  -8.075   4.410
  313   2HE2  GLN  44          HE21      GLN  44  -0.451  -8.548   3.709
  314    H    GLU  45           HN       GLU  45  -2.529 -14.898   3.736
  315    HA   GLU  45           HA       GLU  45  -0.758 -16.394   5.427
  316   1HB   GLU  45           HB2      GLU  45  -3.547 -17.013   4.409
  317   2HB   GLU  45           HB1      GLU  45  -2.709 -17.974   5.629
  318   1HG   GLU  45           HG2      GLU  45  -3.199 -14.995   5.891
  319   2HG   GLU  45           HG1      GLU  45  -4.261 -16.224   6.582
  320    H    GLU  46           HN       GLU  46  -2.115 -17.030   2.204
  321    HA   GLU  46           HA       GLU  46  -0.862 -19.655   2.008
  322   1HB   GLU  46           HB2      GLU  46  -1.874 -17.928  -0.267
  323   2HB   GLU  46           HB1      GLU  46  -1.691 -19.683  -0.250
  324   1HG   GLU  46           HG2      GLU  46  -3.357 -19.686   1.698
  325   2HG   GLU  46           HG1      GLU  46  -3.695 -18.008   1.270
  326    H    VAL  47           HN       VAL  47  -0.342 -16.720   0.014
  327    HA   VAL  47           HA       VAL  47   2.062 -17.363  -1.164
  328    HB   VAL  47           HB       VAL  47   0.706 -14.905  -0.465
  329   1HG1  VAL  47          HG11      VAL  47   3.730 -14.928  -0.251
  330   2HG1  VAL  47          HG13      VAL  47   2.767 -13.466  -0.461
  331   3HG1  VAL  47          HG12      VAL  47   2.585 -14.440   0.997
  332   1HG2  VAL  47          HG21      VAL  47   2.529 -15.956  -2.603
  333   2HG2  VAL  47          HG23      VAL  47   0.882 -15.339  -2.744
  334   3HG2  VAL  47          HG22      VAL  47   2.228 -14.220  -2.526
  335    H    GLU  48           HN       GLU  48   1.642 -16.111   2.160
  336    HA   GLU  48           HA       GLU  48   4.378 -16.013   2.851
  337   1HB   GLU  48           HB2      GLU  48   1.815 -15.626   4.016
  338   2HB   GLU  48           HB1      GLU  48   2.715 -16.704   5.061
  339   1HG   GLU  48           HG2      GLU  48   4.616 -14.843   4.397
  340   2HG   GLU  48           HG1      GLU  48   3.149 -13.868   4.465
  341    H    GLU  49           HN       GLU  49   1.964 -18.465   3.882
  342    HA   GLU  49           HA       GLU  49   3.639 -20.352   4.993
  343   1HB   GLU  49           HB2      GLU  49   1.078 -20.486   3.519
  344   2HB   GLU  49           HB1      GLU  49   1.979 -22.001   3.584
  345   1HG   GLU  49           HG2      GLU  49   2.250 -21.432   6.124
  346   2HG   GLU  49           HG1      GLU  49   0.873 -20.365   5.851
  347    H    ALA  50           HN       ALA  50   2.954 -20.019   1.501
  348    HA   ALA  50           HA       ALA  50   4.628 -22.156   0.637
  349   1HB   ALA  50           HB2      ALA  50   3.390 -19.764  -0.603
  350   2HB   ALA  50           HB1      ALA  50   4.806 -20.404  -1.436
  351   3HB   ALA  50           HB3      ALA  50   3.405 -21.438  -1.157
  352    H    MET  51           HN       MET  51   5.334 -18.715   1.213
  353    HA   MET  51           HA       MET  51   8.011 -18.707   0.269
  354   1HB   MET  51           HB2      MET  51   6.924 -16.619   0.818
  355   2HB   MET  51           HB1      MET  51   6.695 -17.125   2.493
  356   1HG   MET  51           HG2      MET  51   9.170 -17.239   2.763
  357   2HG   MET  51           HG1      MET  51   9.352 -16.628   1.120
  358   1HE   MET  51           HE1      MET  51   8.362 -14.868   0.215
  359   2HE   MET  51           HE3      MET  51   7.176 -13.806   0.984
  360   3HE   MET  51           HE2      MET  51   8.862 -13.311   0.868
  361    H    ASP  52           HN       ASP  52   6.688 -19.567   3.460
  362    HA   ASP  52           HA       ASP  52   9.301 -20.048   4.630
  363   1HB   ASP  52           HB2      ASP  52   6.885 -19.655   5.724
  364   2HB   ASP  52           HB1      ASP  52   6.879 -21.419   5.707
  365    H    THR  53           HN       THR  53   7.344 -21.786   2.447
  366    HA   THR  53           HA       THR  53   8.298 -24.442   3.264
  367    HB   THR  53           HB       THR  53   7.009 -23.834   0.612
  368    HG1  THR  53           HG1      THR  53   5.777 -23.973   3.160
  369   1HG2  THR  53          HG22      THR  53   7.849 -26.137   1.316
  370   2HG2  THR  53          HG21      THR  53   6.579 -26.124   2.538
  371   3HG2  THR  53          HG23      THR  53   6.157 -26.054   0.827
  372    H    CYS  54           HN       CYS  54   9.370 -21.866   1.235
  373    HA   CYS  54           HA       CYS  54  10.932 -23.442  -0.615
  374   1HB   CYS  54           HB1      CYS  54  10.231 -20.991  -0.874
  375   2HB   CYS  54           HB2      CYS  54  11.540 -20.606   0.242
  376    HA   PRO  55           HA       PRO  55  14.284 -24.464   2.020
  377   1HB   PRO  55           HB2      PRO  55  16.218 -24.901   0.164
  378   2HB   PRO  55           HB1      PRO  55  14.886 -26.021   0.445
  379   1HG   PRO  55           HG2      PRO  55  15.231 -24.023  -1.741
  380   2HG   PRO  55           HG1      PRO  55  14.489 -25.628  -1.798
  381   1HD   PRO  55           HD2      PRO  55  13.076 -23.266  -1.702
  382   2HD   PRO  55           HD1      PRO  55  12.441 -24.837  -1.172
  383    H    VAL  56           HN       VAL  56  15.347 -22.385  -0.712
  384    HA   VAL  56           HA       VAL  56  17.194 -20.975   1.123
  385    HB   VAL  56           HB       VAL  56  17.303 -19.752  -1.395
  386   1HG1  VAL  56          HG13      VAL  56  19.079 -20.677   0.328
  387   2HG1  VAL  56          HG12      VAL  56  19.042 -22.100  -0.714
  388   3HG1  VAL  56          HG11      VAL  56  19.497 -20.532  -1.379
  389   1HG2  VAL  56          HG21      VAL  56  15.856 -21.609  -2.231
  390   2HG2  VAL  56          HG23      VAL  56  17.460 -21.620  -2.966
  391   3HG2  VAL  56          HG22      VAL  56  17.071 -22.765  -1.682
  392    H    GLN  57           HN       GLN  57  14.039 -20.636  -0.145
  393    HA   GLN  57           HA       GLN  57  12.470 -18.904   0.064
  394   1HB   GLN  57           HB2      GLN  57  14.318 -18.587   2.255
  395   2HB   GLN  57           HB1      GLN  57  13.816 -17.000   1.672
  396   1HG   GLN  57           HG2      GLN  57  11.474 -17.592   1.905
  397   2HG   GLN  57           HG1      GLN  57  11.896 -19.252   2.324
  398   1HE2  GLN  57          HE22      GLN  57  12.588 -18.504   5.710
  399   2HE2  GLN  57          HE21      GLN  57  12.570 -19.688   4.496
  400    H    CYS  58           HN       CYS  58  13.629 -18.710  -2.270
  401    HA   CYS  58           HA       CYS  58  15.179 -16.272  -2.654
  402   1HB   CYS  58           HB2      CYS  58  14.293 -16.846  -5.141
  403   2HB   CYS  58           HB1      CYS  58  15.653 -17.685  -4.399
  404    HG   CYS  58           HG       CYS  58  14.275 -19.753  -4.148
  405    H    ILE  59           HN       ILE  59  12.511 -16.057  -1.326
  406    HA   ILE  59           HA       ILE  59  11.210 -14.217  -3.296
  407    HB   ILE  59           HB       ILE  59   9.786 -16.149  -2.725
  408   1HG1  ILE  59          HG12      ILE  59   8.752 -13.695  -1.284
  409   2HG1  ILE  59          HG11      ILE  59   8.862 -13.784  -3.042
  410   1HG2  ILE  59          HG22      ILE  59  10.166 -15.138   0.109
  411   2HG2  ILE  59          HG21      ILE  59   8.982 -16.356  -0.363
  412   3HG2  ILE  59          HG23      ILE  59  10.705 -16.689  -0.534
  413   1HD1  ILE  59          HD11      ILE  59   7.630 -16.190  -2.138
  414   2HD1  ILE  59          HD13      ILE  59   6.818 -14.844  -1.339
  415   3HD1  ILE  59          HD12      ILE  59   6.910 -14.898  -3.100
  416    H    HIS  60           HN       HIS  60  10.524 -12.177  -2.492
  417    HA   HIS  60           HA       HIS  60  11.142 -11.522   0.329
  418   1HB   HIS  60           HB2      HIS  60  12.245  -9.771  -1.867
  419   2HB   HIS  60           HB1      HIS  60  12.675  -9.789  -0.156
  420    HD1  HIS  60           HD1      HIS  60  13.138 -11.746  -3.371
  421    HD2  HIS  60           HD2      HIS  60  14.614 -11.711   0.558
  422    HE1  HIS  60           HE1      HIS  60  15.127 -13.339  -3.302
  423    H    TRP  61           HN       TRP  61   9.605 -10.139   1.113
  424    HA   TRP  61           HA       TRP  61   7.401  -9.321  -0.545
  425   1HB   TRP  61           HB2      TRP  61   8.229  -8.449   2.236
  426   2HB   TRP  61           HB1      TRP  61   6.709  -8.004   1.472
  427    HD1  TRP  61           HD1      TRP  61   8.660 -11.210   2.433
  428    HE1  TRP  61           HE1      TRP  61   6.937 -13.072   2.994
  429    HE3  TRP  61           HE3      TRP  61   4.383  -8.699   1.350
  430    HZ2  TRP  61           HZ2      TRP  61   4.080 -13.389   2.963
  431    HZ3  TRP  61           HZ3      TRP  61   2.162  -9.785   1.617
  432    HH2  TRP  61           HH2      TRP  61   2.009 -12.127   2.423
  433    H    GLU  62           HN       GLU  62   6.790  -7.119  -1.092
  434    HA   GLU  62           HA       GLU  62   9.139  -5.272  -1.275
  435   1HB   GLU  62           HB2      GLU  62   8.654  -5.955  -3.501
  436   2HB   GLU  62           HB1      GLU  62   6.913  -5.843  -3.238
  437   1HG   GLU  62           HG2      GLU  62   6.902  -3.520  -3.360
  438   2HG   GLU  62           HG1      GLU  62   8.595  -3.386  -2.881
  439    H    ASP  63           HN       ASP  63   8.785  -3.719   0.253
  440    HA   ASP  63           HA       ASP  63   6.043  -2.880   0.917
  441   1HB   ASP  63           HB2      ASP  63   8.352  -3.043   2.385
  442   2HB   ASP  63           HB1      ASP  63   8.297  -1.320   2.009
  443    H    GLU  64           HN       GLU  64   8.894  -1.572  -0.729
  444    HA   GLU  64           HA       GLU  64   7.300   0.858  -1.420
  445   1HB   GLU  64           HB2      GLU  64   9.716   0.897  -0.342
  446   2HB   GLU  64           HB1      GLU  64  10.232   0.605  -2.003
  447   1HG   GLU  64           HG2      GLU  64   9.424   2.645  -2.761
  448   2HG   GLU  64           HG1      GLU  64   8.214   2.757  -1.484
   
  No H/Q in entry =         448