*HEADER   BACTERIOCIN                             30-MAY-96   1IMQ    
*TITLE    COLICIN E9 IMMUNITY PROTEIN IM9, NMR, MINIMIZED             
*TITLE   3 AVERAGE STRUCTURE                                          
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: IM9;                                             
*COMPND  3 CHAIN: NULL                                                
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                     
*SOURCE  3 STRAIN: JM105                                              
*KEYWDS   IMMUNITY PROTEIN, BACTERIOCIN, PLASMID, COLICIN             
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   M.J.OSBORNE,A.L.BREEZE,L.-Y.LIAN,A.REILLY,R.JAMES,          
*AUTHOR  2 C.KLEANTHOUS,G.R.MOORE                                     
*REVDAT  1   07-JUL-97 1IMQ    0                                      


assign (resid 3 and name HN  ) (resid 3 and name HB1 ) 2.80 1 0.2
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assign (resid 3 and name HN  ) (resid 3 and name HD* ) 6.70 4.9 0.2
assign (resid 3 and name HN  ) (resid 4 and name HN ) 4.50 2.7 0.2
assign (resid 3 and name HA  ) (resid 3 and name HB1 ) 2.90 1.1 0.2
assign (resid 3 and name HA  ) (resid 3 and name HB2 ) 2.70 0.9 0.2
assign (resid 3 and name HA  ) (resid 3 and name HG ) 3.40 1.6 0.2
assign (resid 3 and name HA  ) (resid 3 and name HD1# ) 4.10 2.3 0.2
assign (resid 3 and name HA  ) (resid 3 and name HD2# ) 3.40 1.6 0.2
assign (resid 3 and name HA  ) (resid 4 and name HN ) 2.60 0.8 0.2
assign (resid 3 and name HA  ) (resid 10 and name CZ ) 7.00 5.2 0.2
assign (resid 3 and name HB1  ) (resid 4 and name HN ) 4.10 2.3 0.2
assign (resid 3 and name HB1  ) (resid 39 and name HE1 ) 5.00 3.2 0.2
assign (resid 3 and name HB2  ) (resid 3 and name HD1# ) 3.40 1.6 0.2
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assign (resid 3 and name HB2  ) (resid 4 and name HN ) 3.10 1.3 0.2
assign (resid 3 and name HB2  ) (resid 39 and name HE1 ) 4.90 3.1 0.2
assign (resid 3 and name HD1#  ) (resid 39 and name HB1 ) 6.00 4.2 0.2
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assign (resid 3 and name HD2#  ) (resid 4 and name HN ) 4.90 3.1 0.2
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assign (resid 3 and name HD2#  ) (resid 39 and name HB1 ) 6.00 4.2 0.2
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assign (resid 4 and name HN  ) (resid 4 and name HB1 ) 3.50 1.7 0.2
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assign (resid 4 and name HN  ) (resid 4 and name HG1 ) 3.40 1.6 0.2
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assign (resid 4 and name HA  ) (resid 4 and name HB1 ) 2.90 1.1 0.2
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assign (resid 4 and name HA  ) (resid 4 and name HG1 ) 3.00 1.2 0.2
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assign (resid 4 and name HA  ) (resid 5 and name HN ) 2.90 1.1 0.2
assign (resid 4 and name HA  ) (resid 5 and name HB1 ) 5.00 3.2 0.2
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assign (resid 4 and name HB1  ) (resid 4 and name HG2 ) 3.00 1.2 0.2
assign (resid 4 and name HB1  ) (resid 4 and name HD1 ) 3.80 2 0.2
assign (resid 4 and name HB1  ) (resid 4 and name HD2 ) 3.60 1.8 0.2
assign (resid 4 and name HB1  ) (resid 4 and name HE# ) 5.60 3.8 0.2
assign (resid 4 and name HB1  ) (resid 5 and name HN ) 2.80 1 0.2
assign (resid 4 and name HB1  ) (resid 6 and name HN ) 3.50 1.7 0.2
assign (resid 4 and name HB1  ) (resid 9 and name HB1 ) 2.90 1.1 0.2
assign (resid 4 and name HB1  ) (resid 9 and name HB2 ) 2.80 1 0.2
assign (resid 4 and name HB1  ) (resid 10 and name CZ ) 5.80 4 0.2
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assign (resid 4 and name HB2  ) (resid 10 and name CZ ) 6.20 4.4 0.2
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assign (resid 4 and name HG1  ) (resid 9 and name HB1 ) 4.70 2.9 0.2
assign (resid 4 and name HG1  ) (resid 9 and name HB2 ) 4.80 3 0.2
assign (resid 4 and name HG1  ) (resid 10 and name CZ ) 7.00 5.2 0.2
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assign (resid 4 and name HG2  ) (resid 5 and name HN ) 4.40 2.6 0.2
assign (resid 4 and name HG2  ) (resid 9 and name HB1 ) 4.10 2.3 0.2
assign (resid 4 and name HG2  ) (resid 9 and name HB2 ) 4.40 2.6 0.2
assign (resid 4 and name HG2  ) (resid 10 and name CZ ) 7.00 5.2 0.2
assign (resid 4 and name HD1  ) (resid 5 and name HN ) 4.20 2.4 0.2
assign (resid 4 and name HD1  ) (resid 9 and name HB1 ) 3.30 1.5 0.2
assign (resid 4 and name HD1  ) (resid 9 and name HB2 ) 3.10 1.3 0.2
assign (resid 4 and name HD2  ) (resid 5 and name HN ) 5.00 3.2 0.2
assign (resid 4 and name HD2  ) (resid 9 and name HB1 ) 3.70 1.9 0.2
assign (resid 4 and name HD2  ) (resid 9 and name HB2 ) 3.70 1.9 0.2
assign (resid 4 and name HD2  ) (resid 10 and name CG ) 7.00 5.2 0.2
assign (resid 4 and name HD2  ) (resid 10 and name CZ ) 7.00 5.2 0.2
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assign (resid 5 and name HN  ) (resid 5 and name HB1 ) 3.10 1.3 0.2
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assign (resid 5 and name HA  ) (resid 5 and name HB1 ) 2.80 1 0.2
assign (resid 5 and name HA  ) (resid 5 and name HB2 ) 3.00 1.2 0.2
assign (resid 5 and name HB1  ) (resid 6 and name HN ) 3.80 2 0.2
assign (resid 5 and name HB2  ) (resid 6 and name HN ) 3.90 2.1 0.2
assign (resid 6 and name HN  ) (resid 6 and name HA ) 2.70 0.9 0.2
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assign (resid 6 and name HN  ) (resid 9 and name HB# ) 4.30 2.5 0.2
assign (resid 6 and name HA  ) (resid 6 and name HB1 ) 2.40 0.6 0.2
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assign (resid 6 and name HA  ) (resid 43 and name HE# ) 3.40 1.6 0.2
assign (resid 6 and name HB1  ) (resid 7 and name HN ) 3.20 1.4 0.2
assign (resid 6 and name HB1  ) (resid 8 and name HN ) 3.80 2 0.2
assign (resid 6 and name HB2  ) (resid 7 and name HN ) 3.70 1.9 0.2
assign (resid 6 and name HB2  ) (resid 8 and name HN ) 3.60 1.8 0.2
assign (resid 6 and name O  ) (resid 9 and name HN ) 2.30 0.5 0.2
assign (resid 7 and name HN  ) (resid 7 and name HB ) 2.60 0.8 0.2
assign (resid 7 and name HN  ) (resid 7 and name HG2# ) 3.40 1.6 0.2
assign (resid 7 and name HN  ) (resid 7 and name HG1# ) 5.70 3.9 0.2
assign (resid 7 and name HN  ) (resid 7 and name HD# ) 5.40 3.6 0.2
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assign (resid 7 and name HN  ) (resid 9 and name HN ) 5.00 3.2 0.2
assign (resid 7 and name HN  ) (resid 10 and name HN ) 5.00 3.2 0.2
assign (resid 7 and name HN  ) (resid 43 and name HA ) 4.30 2.5 0.2
assign (resid 7 and name HN  ) (resid 43 and name HB2 ) 5.00 3.2 0.2
assign (resid 7 and name HN  ) (resid 43 and name HE# ) 5.30 3.5 0.2
assign (resid 7 and name HA  ) (resid 7 and name HB ) 2.70 0.9 0.2
assign (resid 7 and name HA  ) (resid 7 and name HG2# ) 3.70 1.9 0.2
assign (resid 7 and name HA  ) (resid 7 and name HG1# ) 3.30 1.5 0.2
assign (resid 7 and name HA  ) (resid 7 and name HD# ) 3.80 2 0.2
assign (resid 7 and name HA  ) (resid 9 and name HN ) 3.90 2.1 0.2
assign (resid 7 and name HA  ) (resid 10 and name HN ) 3.90 2.1 0.2
assign (resid 7 and name HA  ) (resid 10 and name HB# ) 5.00 3.2 0.2
assign (resid 7 and name HA  ) (resid 10 and name CG ) 4.80 3 0.2
assign (resid 7 and name HA  ) (resid 10 and name CZ ) 6.00 4.2 0.2
assign (resid 7 and name HA  ) (resid 43 and name HB1 ) 5.00 3.2 0.2
assign (resid 7 and name HA  ) (resid 43 and name HB2 ) 4.70 2.9 0.2
assign (resid 7 and name HB  ) (resid 7 and name HD# ) 3.40 1.6 0.2
assign (resid 7 and name HB  ) (resid 8 and name HN ) 4.20 2.4 0.2
assign (resid 7 and name HB  ) (resid 43 and name HA ) 4.50 2.7 0.2
assign (resid 7 and name HB  ) (resid 44 and name HA ) 5.00 3.2 0.2
assign (resid 7 and name HG2#  ) (resid 7 and name HD# ) 4.40 2.6 0.2
assign (resid 7 and name HG2#  ) (resid 8 and name HN ) 3.40 1.6 0.2
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assign (resid 7 and name HG2#  ) (resid 75 and name HD1 ) 5.20 3.4 0.2
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assign (resid 7 and name HG2#  ) (resid 75 and name HE ) 3.70 1.9 0.2
assign (resid 7 and name HG2#  ) (resid 75 and name HH2#) 5.40 3.6 0.2
assign (resid 7 and name HG2#  ) (resid 82 and name HA1 ) 4.50 2.7 0.2
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assign (resid 7 and name HG1#  ) (resid 8 and name HN ) 6.00 4.2 0.2
assign (resid 7 and name HD#  ) (resid 8 and name HN ) 6.00 4.2 0.2
assign (resid 7 and name HD#  ) (resid 15 and name CG ) 8.00 6.2 0.2
assign (resid 7 and name HD#  ) (resid 43 and name HB1 ) 4.80 3 0.2
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assign (resid 7 and name HD#  ) (resid 44 and name HN ) 4.80 3 0.2
assign (resid 7 and name HD#  ) (resid 44 and name HA ) 3.40 1.6 0.2
assign (resid 7 and name HD#  ) (resid 44 and name HG2# ) 4.50 2.7 0.2
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assign (resid 7 and name HD#  ) (resid 75 and name HD1 ) 4.10 2.3 0.2
assign (resid 7 and name HD#  ) (resid 75 and name HE ) 4.80 3 0.2
assign (resid 7 and name O  ) (resid 10 and name HN ) 2.30 0.5 0.2
assign (resid 8 and name HN  ) (resid 8 and name HB1 ) 3.10 1.3 0.2
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assign (resid 9 and name HN  ) (resid 9 and name HB2 ) 3.10 1.3 0.2
assign (resid 9 and name HN  ) (resid 9 and name HB# ) 3.30 1.5 0.2
assign (resid 9 and name HN  ) (resid 10 and name HN ) 2.80 1 0.2
assign (resid 9 and name HN  ) (resid 10 and name HB# ) 6.00 4.2 0.2
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assign (resid 9 and name HA  ) (resid 9 and name HB1 ) 2.60 0.8 0.2
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assign (resid 10 and name HA  ) (resid 15 and name HN ) 5.00 3.2 0.2
assign (resid 10 and name HB#  ) (resid 12 and name HA ) 6.00 4.2 0.2
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assign (resid 10 and name CG  ) (resid 11 and name HN ) 6.50 4.7 0.2
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assign (resid 10 and name CG  ) (resid 14 and name HB1 ) 5.60 3.8 0.2
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assign (resid 10 and name CZ  ) (resid 43 and name HG1 ) 5.70 3.9 0.2
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assign (resid 11 and name HN  ) (resid 11 and name HA ) 2.70 0.9 0.2
assign (resid 11 and name HN  ) (resid 11 and name HB ) 3.70 1.9 0.2
assign (resid 11 and name HN  ) (resid 11 and name HG2# ) 3.40 1.6 0.2
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assign (resid 11 and name HB  ) (resid 12 and name HN ) 2.40 0.6 0.2
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assign (resid 14 and name O  ) (resid 18 and name HN ) 2.30 0.5 0.2
assign (resid 15 and name HN  ) (resid 15 and name HB1 ) 2.60 0.8 0.2
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assign (resid 15 and name HN  ) (resid 16 and name HN ) 2.80 1 0.2
assign (resid 15 and name HA  ) (resid 15 and name HB1 ) 2.80 1 0.2
assign (resid 15 and name HA  ) (resid 18 and name HN ) 3.10 1.3 0.2
assign (resid 15 and name HA  ) (resid 18 and name HB1 ) 3.00 1.2 0.2
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assign (resid 15 and name HB1  ) (resid 16 and name HN ) 3.90 2.1 0.2
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assign (resid 15 and name CZ  ) (resid 16 and name HA ) 7.40 5.6 0.2
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assign (resid 15 and name CZ  ) (resid 68 and name HG1# ) 6.70 4.9 0.2
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assign (resid 15 and name O  ) (resid 19 and name HN ) 2.30 0.5 0.2
assign (resid 16 and name HN  ) (resid 16 and name HA ) 2.90 1.1 0.2
assign (resid 16 and name HN  ) (resid 16 and name HB1 ) 2.70 0.9 0.2
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assign (resid 16 and name HN  ) (resid 16 and name HG ) 4.30 2.5 0.2
assign (resid 16 and name HN  ) (resid 16 and name HD1# ) 6.00 4.2 0.2
assign (resid 16 and name HN  ) (resid 17 and name HN ) 2.90 1.1 0.2
assign (resid 16 and name HN  ) (resid 68 and name HG1# ) 5.00 3.2 0.2
assign (resid 16 and name HA  ) (resid 16 and name HB1 ) 2.80 1 0.2
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assign (resid 16 and name HA  ) (resid 16 and name HG ) 3.00 1.2 0.2
assign (resid 16 and name HA  ) (resid 19 and name HN ) 3.40 1.6 0.2
assign (resid 16 and name HA  ) (resid 19 and name HB ) 2.70 0.9 0.2
assign (resid 16 and name HA  ) (resid 68 and name HG1# ) 3.40 1.6 0.2
assign (resid 16 and name HB1  ) (resid 16 and name HG ) 2.70 0.9 0.2
assign (resid 16 and name HB1  ) (resid 17 and name HN ) 3.70 1.9 0.2
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assign (resid 16 and name O  ) (resid 20 and name HN ) 2.30 0.5 0.2
assign (resid 17 and name HN  ) (resid 17 and name HA ) 2.90 1.1 0.2
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assign (resid 17 and name HA  ) (resid 20 and name HN ) 3.30 1.5 0.2
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assign (resid 18 and name HN  ) (resid 18 and name HB1 ) 2.70 0.9 0.2
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assign (resid 18 and name HN  ) (resid 18 and name HD1# ) 6.00 4.2 0.2
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assign (resid 18 and name HD2#  ) (resid 39 and name HD1 ) 3.90 2.1 0.2
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assign (resid 18 and name O  ) (resid 22 and name HN ) 2.30 0.5 0.2
assign (resid 19 and name HN  ) (resid 19 and name HB ) 3.20 1.4 0.2
assign (resid 19 and name HN  ) (resid 20 and name HN ) 3.40 1.6 0.2
assign (resid 19 and name HA  ) (resid 19 and name HB ) 2.70 0.9 0.2
assign (resid 19 and name HA  ) (resid 19 and name HG2# ) 3.40 1.6 0.2
assign (resid 19 and name HA  ) (resid 22 and name HN ) 3.60 1.8 0.2
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assign (resid 19 and name HG2#  ) (resid 20 and name HN ) 5.30 3.5 0.2
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assign (resid 19 and name O  ) (resid 23 and name HN ) 2.30 0.5 0.2
assign (resid 20 and name HN  ) (resid 20 and name HB ) 2.90 1.1 0.2
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assign (resid 20 and name HA  ) (resid 23 and name HB1 ) 3.80 2 0.2
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assign (resid 20 and name HB  ) (resid 21 and name HN ) 2.90 1.1 0.2
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assign (resid 20 and name O  ) (resid 24 and name HN ) 2.30 0.5 0.2
assign (resid 21 and name HN  ) (resid 21 and name HB ) 2.50 0.7 0.2
assign (resid 21 and name HN  ) (resid 21 and name HG2# ) 4.40 2.6 0.2
assign (resid 21 and name HN  ) (resid 22 and name HN ) 3.00 1.2 0.2
assign (resid 21 and name HA  ) (resid 21 and name HG2# ) 3.40 1.6 0.2
assign (resid 21 and name HA  ) (resid 26 and name HB1 ) 3.30 1.5 0.2
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assign (resid 21 and name HB  ) (resid 22 and name HN ) 2.90 1.1 0.2
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assign (resid 22 and name HN  ) (resid 22 and name HB ) 2.70 0.9 0.2
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assign (resid 22 and name HB  ) (resid 53 and name HD# ) 4.70 2.9 0.2
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assign (resid 23 and name HN  ) (resid 23 and name HA ) 2.90 1.1 0.2
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assign (resid 23 and name HN  ) (resid 53 and name HG2# ) 5.80 4 0.2
assign (resid 23 and name HA  ) (resid 23 and name HB1 ) 2.90 1.1 0.2
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assign (resid 24 and name HA  ) (resid 24 and name HB1 ) 2.70 0.9 0.2
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assign (resid 84 and name HA  ) (resid 84 and name HB1 ) 2.90 1.1 0.2
assign (resid 84 and name HA  ) (resid 84 and name HB2 ) 2.70 0.9 0.2
assign (resid 84 and name HA  ) (resid 85 and name HN ) 3.00 1.2 0.2
assign (resid 84 and name HB1  ) (resid 84 and name HE# ) 5.70 3.9 0.2
assign (resid 84 and name HB1  ) (resid 85 and name HN ) 3.60 1.8 0.2
assign (resid 84 and name HB2  ) (resid 84 and name HE# ) 5.80 4 0.2
assign (resid 84 and name HB2  ) (resid 85 and name HN ) 3.10 1.3 0.2
assign (resid 84 and name HG#  ) (resid 85 and name HN ) 4.60 2.8 0.2
assign (resid 85 and name HN  ) (resid 85 and name HA ) 2.80 1 0.2
assign (resid 85 and name HN  ) (resid 85 and name HB1 ) 3.00 1.2 0.2
assign (resid 85 and name HN  ) (resid 85 and name HB2 ) 2.70 0.9 0.2
assign (resid 85 and name HN  ) (resid 85 and name HG# ) 4.90 3.1 0.2
assign (resid 85 and name HA  ) (resid 86 and name HN ) 2.40 0.6 0.2
assign (resid 85 and name HB1  ) (resid 86 and name HN ) 3.80 2 0.2
assign (resid 85 and name HB2  ) (resid 86 and name HN ) 4.10 2.3 0.2
assign (resid 85 and name HG#  ) (resid 86 and name HN ) 6.00 4.2 0.2

From root  Thu May 30 07:20:56 1996
Received: by pdb.pdb.bnl.gov (950511.SGI.8.6.12.PATCH526/940406.SGI)
	for bailey@pdb.pdb.bnl.gov id HAA26757; Thu, 30 May 1996 07:20:56 -0400
Date: Thu, 30 May 1996 07:20:56 -0400
From: root (Super-User)
Message-Id: <199605301120.HAA26757@pdb.pdb.bnl.gov>
To: bailey
Subject: from ftp: im9_phi.con
Status: OSp

constraints
   dihedral

     reset

     assign (resid 6 and name C) (resid 7 and name N) 
	    (resid 7 and name CA) (resid 7 and name C) 1 -65.0 25.0 2
     assign (resid 8 and name C) (resid 9 and name N) 
	    (resid 9 and name CA) (resid 9 and name C) 1 -120.0 40.0 2
     assign (resid 10 and name C) (resid 11 and name N) 
	    (resid 11 and name CA) (resid 11 and name C) 1 -95.0 20.0 2
     assign (resid 13 and name C) (resid 14 and name N) 
	    (resid 14 and name CA) (resid 14 and name C) 1 -65.0 25.0 2
     assign (resid 14 and name C) (resid 15 and name N) 
	    (resid 15 and name CA) (resid 15 and name C) 1 -65.0 25.0 2
     assign (resid 15 and name C) (resid 16 and name N) 
	    (resid 16 and name CA) (resid 16 and name C) 1 -65.0 25.0 2
     assign (resid 16 and name C) (resid 17 and name N) 
	    (resid 17 and name CA) (resid 17 and name C) 1 -65.0 25.0 2
     assign (resid 17 and name C) (resid 18 and name N) 
	    (resid 18 and name CA) (resid 18 and name C) 1 -65.0 25.0 2
     assign (resid 18 and name C) (resid 19 and name N) 
	    (resid 19 and name CA) (resid 19 and name C) 1 -65.0 25.0 2
     assign (resid 19 and name C) (resid 20 and name N) 
	    (resid 20 and name CA) (resid 20 and name C) 1 -65.0 25.0 2
     assign (resid 20 and name C) (resid 21 and name N) 
	    (resid 21 and name CA) (resid 21 and name C) 1 -65.0 25.0 2
     assign (resid 21 and name C) (resid 22 and name N) 
	    (resid 22 and name CA) (resid 22 and name C) 1 -65.0 25.0 2
     assign (resid 22 and name C) (resid 23 and name N) 
	    (resid 23 and name CA) (resid 23 and name C) 1 -65.0 25.0 2
     assign (resid 25 and name C) (resid 26 and name N) 
	    (resid 26 and name CA) (resid 26 and name C) 1 -120.0 50.0 2
     assign (resid 26 and name C) (resid 27 and name N) 
	    (resid 27 and name CA) (resid 27 and name C) 1 -120.0 40.0 2
     assign (resid 29 and name C) (resid 30 and name N) 
	    (resid 30 and name CA) (resid 30 and name C) 1 -65.0 25.0 2
     assign (resid 30 and name C) (resid 31 and name N) 
	    (resid 31 and name CA) (resid 31 and name C) 1 -65.0 25.0 2
     assign (resid 31 and name C) (resid 32 and name N) 
	    (resid 32 and name CA) (resid 32 and name C) 1 -65.0 25.0 2
     assign (resid 32 and name C) (resid 33 and name N) 
	    (resid 33 and name CA) (resid 33 and name C) 1 -65.0 25.0 2
     assign (resid 33 and name C) (resid 34 and name N) 
	    (resid 34 and name CA) (resid 34 and name C) 1 -65.0 25.0 2
     assign (resid 34 and name C) (resid 35 and name N) 
	    (resid 35 and name CA) (resid 35 and name C) 1 -65.0 25.0 2
     assign (resid 35 and name C) (resid 36 and name N) 
	    (resid 36 and name CA) (resid 36 and name C) 1 -65.0 25.0 2
     assign (resid 36 and name C) (resid 37 and name N) 
	    (resid 37 and name CA) (resid 37 and name C) 1 -65.0 25.0 2
     assign (resid 37 and name C) (resid 38 and name N) 
	    (resid 38 and name CA) (resid 38 and name C) 1 -65.0 25.0 2
     assign (resid 39 and name C) (resid 40 and name N) 
	    (resid 40 and name CA) (resid 40 and name C) 1 -65.0 25.0 2
     assign (resid 40 and name C) (resid 41 and name N) 
	    (resid 41 and name CA) (resid 41 and name C) 1 -65.0 25.0 2
     assign (resid 41 and name C) (resid 42 and name N) 
	    (resid 42 and name CA) (resid 42 and name C) 1 -65.0 25.0 2
     assign (resid 42 and name C) (resid 43 and name N) 
	    (resid 43 and name CA) (resid 43 and name C) 1 -65.0 25.0 2
     assign (resid 43 and name C) (resid 44 and name N) 
	    (resid 44 and name CA) (resid 44 and name C) 1 -65.0 25.0 2
     assign (resid 47 and name C) (resid 48 and name N) 
	    (resid 48 and name CA) (resid 48 and name C) 1 -65.0 25.0 2
     assign (resid 49 and name C) (resid 50 and name N) 
	    (resid 50 and name CA) (resid 50 and name C) 1 -65.0 25.0 2
     assign (resid 50 and name C) (resid 51 and name N) 
	    (resid 51 and name CA) (resid 51 and name C) 1 -65.0 25.0 2
     assign (resid 51 and name C) (resid 52 and name N) 
	    (resid 52 and name CA) (resid 52 and name C) 1 -65.0 25.0 2
     assign (resid 52 and name C) (resid 53 and name N) 
	    (resid 53 and name CA) (resid 53 and name C) 1 -120.0 40.0 2
     assign (resid 53 and name C) (resid 54 and name N) 
	    (resid 54 and name CA) (resid 54 and name C) 1 -65.0 25.0 2
     assign (resid 54 and name C) (resid 55 and name N) 
	    (resid 55 and name CA) (resid 55 and name C) 1 -120.0 40.0 2
     assign (resid 61 and name C) (resid 62 and name N) 
	    (resid 62 and name CA) (resid 62 and name C) 1 -120.0 40.0 2
     assign (resid 64 and name C) (resid 65 and name N) 
	    (resid 65 and name CA) (resid 65 and name C) 1 -65.0 25.0 2
     assign (resid 66 and name C) (resid 67 and name N) 
	    (resid 67 and name CA) (resid 67 and name C) 1 -65.0 25.0 2
     assign (resid 67 and name C) (resid 68 and name N) 
	    (resid 68 and name CA) (resid 68 and name C) 1 -65.0 25.0 2
     assign (resid 68 and name C) (resid 69 and name N) 
	    (resid 69 and name CA) (resid 69 and name C) 1 -65.0 25.0 2
     assign (resid 69 and name C) (resid 70 and name N) 
	    (resid 70 and name CA) (resid 70 and name C) 1 -65.0 25.0 2
     assign (resid 70 and name C) (resid 71 and name N) 
	    (resid 71 and name CA) (resid 71 and name C) 1 -65.0 25.0 2
    assign (resid 71 and name C) (resid 72 and name N) 
	    (resid 72 and name CA) (resid 72 and name C) 1 -65.0 25.0 2
    assign (resid 72 and name C) (resid 73 and name N) 
	    (resid 73 and name CA) (resid 73 and name C) 1 -65.0 25.0 2
    assign (resid 73 and name C) (resid 74 and name N) 
	    (resid 74 and name CA) (resid 74 and name C) 1 -65.0 25.0 2
    assign (resid 74 and name C) (resid 75 and name N) 
	    (resid 75 and name CA) (resid 75 and name C) 1 -65.0 25.0 2
    assign (resid 75 and name C) (resid 76 and name N) 
	    (resid 76 and name CA) (resid 76 and name C) 1 -65.0 25.0 2
    assign (resid 77 and name C) (resid 78 and name N) 
	    (resid 78 and name CA) (resid 78 and name C) 1 -120.0 40.0 2
    assign (resid 79 and name C) (resid 80 and name N) 
	    (resid 80 and name CA) (resid 80 and name C) 1 -120.0 40.0 2
    assign (resid 80 and name C) (resid 81 and name N) 
	    (resid 81 and name CA) (resid 81 and name C) 1 -65.0 25.0 2
    assign (resid 82 and name C) (resid 83 and name N) 
	    (resid 83 and name CA) (resid 83 and name C) 1 -120.0 40.0 2







   end
end

  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1           HT3      MET   1   0.407   1.343  -1.920
    2   2H    MET   1           HT2      MET   1   0.537  -0.149  -1.117
    3   3H    MET   1           HT1      MET   1  -0.264   1.153  -0.374
    4    HA   MET   1           HA       MET   1   1.633   1.659   0.628
    5   1HB   MET   1           HB2      MET   1   2.333  -0.699   0.105
    6   2HB   MET   1           HB1      MET   1   3.071  -0.099  -1.380
    7   1HG   MET   1           HG2      MET   1   4.771  -0.252   0.373
    8   2HG   MET   1           HG1      MET   1   4.481   1.442  -0.025
    9   1HE   MET   1           HE1      MET   1   4.318   2.948   1.149
   10   2HE   MET   1           HE3      MET   1   3.152   3.213   2.453
   11   3HE   MET   1           HE2      MET   1   4.829   2.827   2.831
   12    H    GLU   2           HN       GLU   2   3.771   1.296  -2.020
   13    HA   GLU   2           HA       GLU   2   3.259   3.777  -3.383
   14   1HB   GLU   2           HB2      GLU   2   4.384   4.142  -0.865
   15   2HB   GLU   2           HB1      GLU   2   5.774   4.198  -1.949
   16   1HG   GLU   2           HG2      GLU   2   5.123   6.403  -2.100
   17   2HG   GLU   2           HG1      GLU   2   4.107   5.732  -3.377
   18    H    LEU   3           HN       LEU   3   3.906   2.948  -5.333
   19    HA   LEU   3           HA       LEU   3   6.248   1.205  -5.548
   20   1HB   LEU   3           HB2      LEU   3   3.929   1.558  -7.007
   21   2HB   LEU   3           HB1      LEU   3   5.158   2.260  -8.032
   22    HG   LEU   3           HG       LEU   3   5.154  -0.518  -6.834
   23   1HD1  LEU   3          HD11      LEU   3   4.614   0.649  -9.540
   24   2HD1  LEU   3          HD13      LEU   3   5.394  -0.930  -9.444
   25   3HD1  LEU   3          HD12      LEU   3   3.807  -0.686  -8.716
   26   1HD2  LEU   3          HD23      LEU   3   7.214   1.032  -8.401
   27   2HD2  LEU   3          HD22      LEU   3   7.400   0.288  -6.812
   28   3HD2  LEU   3          HD21      LEU   3   7.248  -0.725  -8.249
   29    H    LYS   4           HN       LYS   4   7.020   2.216  -8.123
   30    HA   LYS   4           HA       LYS   4   8.610   4.569  -7.221
   31   1HB   LYS   4           HB2      LYS   4   9.136   2.394  -9.222
   32   2HB   LYS   4           HB1      LYS   4  10.058   3.897  -9.235
   33   1HG   LYS   4           HG2      LYS   4  10.051   3.259  -6.573
   34   2HG   LYS   4           HG1      LYS   4  10.140   1.677  -7.325
   35   1HD   LYS   4           HD2      LYS   4  12.166   2.161  -8.411
   36   2HD   LYS   4           HD1      LYS   4  11.918   3.904  -8.266
   37   1HE   LYS   4           HE2      LYS   4  12.086   3.575  -5.736
   38   2HE   LYS   4           HE1      LYS   4  12.680   1.951  -6.087
   39   1HZ   LYS   4           HZ1      LYS   4  14.178   3.447  -7.727
   40   2HZ   LYS   4           HZ3      LYS   4  13.989   4.508  -6.417
   41   3HZ   LYS   4           HZ2      LYS   4  14.658   2.966  -6.169
   42    H    HIS   5           HN       HIS   5   9.386   5.437  -9.803
   43    HA   HIS   5           HA       HIS   5   6.849   6.704 -10.667
   44   1HB   HIS   5           HB2      HIS   5   8.830   8.134 -10.181
   45   2HB   HIS   5           HB1      HIS   5   9.695   7.326 -11.487
   46    HD1  HIS   5           HD1      HIS   5   9.825   9.290 -13.112
   47    HD2  HIS   5           HD2      HIS   5   5.933   8.494 -11.847
   48    HE1  HIS   5           HE1      HIS   5   8.299  10.698 -14.562
   49    H    SER   6           HN       SER   6   9.716   5.255 -12.249
   50    HA   SER   6           HA       SER   6   8.052   3.720 -14.063
   51   1HB   SER   6           HB2      SER   6   8.994   6.342 -14.819
   52   2HB   SER   6           HB1      SER   6   9.503   5.079 -15.919
   53    HG   SER   6           HG       SER   6   7.189   6.217 -15.872
   54    H    ILE   7           HN       ILE   7   9.980   3.367 -16.103
   55    HA   ILE   7           HA       ILE   7  11.714   1.449 -14.961
   56    HB   ILE   7           HB       ILE   7  11.085   2.140 -17.504
   57   1HG1  ILE   7          HG12      ILE   7  13.505   0.805 -17.832
   58   2HG1  ILE   7          HG11      ILE   7  13.016   0.376 -16.191
   59   1HG2  ILE   7          HG22      ILE   7  13.196   3.905 -16.793
   60   2HG2  ILE   7          HG21      ILE   7  13.873   2.712 -17.902
   61   3HG2  ILE   7          HG23      ILE   7  12.474   3.672 -18.385
   62   1HD1  ILE   7          HD12      ILE   7  11.102   0.227 -18.525
   63   2HD1  ILE   7          HD11      ILE   7  12.132  -1.130 -18.070
   64   3HD1  ILE   7          HD13      ILE   7  10.935  -0.512 -16.933
   65    H    SER   8           HN       SER   8  11.913   4.878 -14.973
   66    HA   SER   8           HA       SER   8  14.790   5.111 -14.730
   67   1HB   SER   8           HB2      SER   8  13.077   6.953 -15.344
   68   2HB   SER   8           HB1      SER   8  12.796   7.081 -13.610
   69    HG   SER   8           HG       SER   8  14.463   8.491 -14.476
   70    H    ASP   9           HN       ASP   9  12.193   4.357 -12.538
   71    HA   ASP   9           HA       ASP   9  13.717   4.951 -10.125
   72   1HB   ASP   9           HB2      ASP   9  11.051   4.531 -10.664
   73   2HB   ASP   9           HB1      ASP   9  11.539   3.073  -9.815
   74    H    TYR  10           HN       TYR  10  13.372   2.277 -12.300
   75    HA   TYR  10           HA       TYR  10  14.965   0.591 -10.406
   76   1HB   TYR  10           HB2      TYR  10  13.199  -0.422 -12.650
   77   2HB   TYR  10           HB1      TYR  10  13.950  -1.369 -11.366
   78    HD1  TYR  10           HD1      TYR  10  13.183  -1.107  -9.002
   79    HD2  TYR  10           HD2      TYR  10  11.153   0.779 -12.284
   80    HE1  TYR  10           HE1      TYR  10  11.201  -0.732  -7.560
   81    HE2  TYR  10           HE2      TYR  10   9.171   1.154 -10.842
   82    HH   TYR  10           HH       TYR  10   9.088  -0.038  -7.487
   83    H    THR  11           HN       THR  11  16.899  -0.213 -11.184
   84    HA   THR  11           HA       THR  11  17.949   0.916 -13.647
   85    HB   THR  11           HB       THR  11  19.939  -0.568 -13.090
   86    HG1  THR  11           HG1      THR  11  19.821  -1.496 -10.983
   87   1HG2  THR  11          HG22      THR  11  18.834   1.306 -10.982
   88   2HG2  THR  11          HG21      THR  11  20.500   0.730 -11.020
   89   3HG2  THR  11          HG23      THR  11  19.884   1.736 -12.331
   90    H    GLU  12           HN       GLU  12  19.302  -0.949 -14.993
   91    HA   GLU  12           HA       GLU  12  17.279  -2.413 -16.406
   92   1HB   GLU  12           HB2      GLU  12  19.334  -3.569 -17.450
   93   2HB   GLU  12           HB1      GLU  12  19.191  -1.822 -17.678
   94   1HG   GLU  12           HG2      GLU  12  21.136  -1.507 -16.607
   95   2HG   GLU  12           HG1      GLU  12  20.460  -2.299 -15.183
   96    H    ALA  13           HN       ALA  13  19.219  -3.086 -13.651
   97    HA   ALA  13           HA       ALA  13  18.695  -6.000 -13.799
   98   1HB   ALA  13           HB1      ALA  13  20.283  -4.267 -11.883
   99   2HB   ALA  13           HB3      ALA  13  20.049  -6.000 -11.652
  100   3HB   ALA  13           HB2      ALA  13  20.918  -5.409 -13.068
  101    H    GLU  14           HN       GLU  14  18.168  -3.301 -11.483
  102    HA   GLU  14           HA       GLU  14  16.480  -4.655  -9.702
  103   1HB   GLU  14           HB2      GLU  14  17.238  -1.939 -10.344
  104   2HB   GLU  14           HB1      GLU  14  15.529  -2.024  -9.955
  105   1HG   GLU  14           HG2      GLU  14  16.907  -3.690  -8.109
  106   2HG   GLU  14           HG1      GLU  14  17.760  -2.150  -8.175
  107    H    PHE  15           HN       PHE  15  15.806  -3.087 -12.804
  108    HA   PHE  15           HA       PHE  15  12.926  -3.459 -12.631
  109   1HB   PHE  15           HB2      PHE  15  14.229  -1.791 -14.125
  110   2HB   PHE  15           HB1      PHE  15  14.489  -3.168 -15.194
  111    HD1  PHE  15           HD2      PHE  15  11.606  -1.893 -13.149
  112    HD2  PHE  15           HD1      PHE  15  13.010  -3.217 -16.987
  113    HE1  PHE  15           HE2      PHE  15   9.326  -1.606 -14.083
  114    HE2  PHE  15           HE1      PHE  15  10.731  -2.930 -17.920
  115    HZ   PHE  15           HZ       PHE  15   8.889  -2.125 -16.468
  116    H    LEU  16           HN       LEU  16  15.645  -5.213 -14.076
  117    HA   LEU  16           HA       LEU  16  14.171  -7.204 -15.463
  118   1HB   LEU  16           HB2      LEU  16  16.782  -6.689 -15.250
  119   2HB   LEU  16           HB1      LEU  16  16.682  -7.944 -14.022
  120    HG   LEU  16           HG       LEU  16  15.295  -8.532 -16.558
  121   1HD1  LEU  16          HD13      LEU  16  17.608  -7.352 -17.017
  122   2HD1  LEU  16          HD12      LEU  16  18.270  -8.905 -16.508
  123   3HD1  LEU  16          HD11      LEU  16  17.182  -8.822 -17.894
  124   1HD2  LEU  16          HD23      LEU  16  16.498  -9.898 -14.296
  125   2HD2  LEU  16          HD22      LEU  16  15.351 -10.517 -15.485
  126   3HD2  LEU  16          HD21      LEU  16  17.082 -10.568 -15.820
  127    H    GLN  17           HN       GLN  17  14.952  -6.803 -12.061
  128    HA   GLN  17           HA       GLN  17  14.222  -9.460 -11.222
  129   1HB   GLN  17           HB2      GLN  17  15.258  -7.179  -9.989
  130   2HB   GLN  17           HB1      GLN  17  13.670  -7.380  -9.248
  131   1HG   GLN  17           HG2      GLN  17  14.192  -9.702  -8.682
  132   2HG   GLN  17           HG1      GLN  17  15.752  -9.572  -9.494
  133   1HE2  GLN  17          HE22      GLN  17  16.540  -8.953  -5.958
  134   2HE2  GLN  17          HE21      GLN  17  16.121 -10.265  -6.950
  135    H    LEU  18           HN       LEU  18  12.427  -6.375 -11.370
  136    HA   LEU  18           HA       LEU  18   9.972  -7.242 -10.304
  137   1HB   LEU  18           HB2      LEU  18  10.470  -4.893 -10.986
  138   2HB   LEU  18           HB1      LEU  18  10.364  -5.383 -12.676
  139    HG   LEU  18           HG       LEU  18   8.022  -6.322 -11.315
  140   1HD1  LEU  18          HD12      LEU  18   8.615  -3.365 -10.965
  141   2HD1  LEU  18          HD11      LEU  18   7.061  -4.136 -10.647
  142   3HD1  LEU  18          HD13      LEU  18   8.466  -4.548  -9.665
  143   1HD2  LEU  18          HD22      LEU  18   8.528  -5.599 -13.775
  144   2HD2  LEU  18          HD21      LEU  18   6.929  -5.266 -13.109
  145   3HD2  LEU  18          HD23      LEU  18   8.130  -3.978 -13.205
  146    H    VAL  19           HN       VAL  19  11.021  -7.335 -13.721
  147    HA   VAL  19           HA       VAL  19   8.733  -8.792 -14.649
  148    HB   VAL  19           HB       VAL  19  11.403  -8.079 -15.694
  149   1HG1  VAL  19          HG13      VAL  19   9.823 -10.442 -16.750
  150   2HG1  VAL  19          HG12      VAL  19  11.154  -9.666 -17.607
  151   3HG1  VAL  19          HG11      VAL  19  11.452 -10.490 -16.077
  152   1HG2  VAL  19          HG21      VAL  19   8.524  -7.939 -16.501
  153   2HG2  VAL  19          HG23      VAL  19   9.742  -6.664 -16.481
  154   3HG2  VAL  19          HG22      VAL  19   9.749  -7.870 -17.768
  155    H    THR  20           HN       THR  20  11.698  -9.727 -13.073
  156    HA   THR  20           HA       THR  20  11.552 -12.542 -13.749
  157    HB   THR  20           HB       THR  20  12.963 -11.142 -11.456
  158    HG1  THR  20           HG1      THR  20  14.072 -12.138 -13.851
  159   1HG2  THR  20          HG22      THR  20  12.444 -13.778 -11.546
  160   2HG2  THR  20          HG21      THR  20  13.880 -13.746 -12.568
  161   3HG2  THR  20          HG23      THR  20  13.961 -13.138 -10.915
  162    H    THR  21           HN       THR  21  10.410 -10.563 -11.021
  163    HA   THR  21           HA       THR  21   9.466 -12.840  -9.492
  164    HB   THR  21           HB       THR  21   8.604  -9.933  -9.340
  165    HG1  THR  21           HG1      THR  21  10.240  -9.696  -7.919
  166   1HG2  THR  21          HG21      THR  21   8.381 -12.246  -7.395
  167   2HG2  THR  21          HG23      THR  21   8.006 -10.568  -7.002
  168   3HG2  THR  21          HG22      THR  21   7.048 -11.426  -8.208
  169    H    ILE  22           HN       ILE  22   8.300 -11.086 -12.201
  170    HA   ILE  22           HA       ILE  22   5.491 -11.880 -11.787
  171    HB   ILE  22           HB       ILE  22   6.583 -10.734 -14.346
  172   1HG1  ILE  22          HG12      ILE  22   6.330  -9.386 -11.667
  173   2HG1  ILE  22          HG11      ILE  22   7.610  -9.230 -12.870
  174   1HG2  ILE  22          HG21      ILE  22   4.183 -11.396 -14.115
  175   2HG2  ILE  22          HG23      ILE  22   4.028 -10.251 -12.783
  176   3HG2  ILE  22          HG22      ILE  22   4.387  -9.669 -14.409
  177   1HD1  ILE  22          HD12      ILE  22   4.775  -8.298 -13.366
  178   2HD1  ILE  22          HD11      ILE  22   6.026  -7.245 -12.704
  179   3HD1  ILE  22          HD13      ILE  22   6.214  -7.930 -14.318
  180    H    CYS  23           HN       CYS  23   8.060 -12.509 -14.197
  181    HA   CYS  23           HA       CYS  23   6.539 -14.697 -15.394
  182   1HB   CYS  23           HB2      CYS  23   8.855 -13.147 -16.060
  183   2HB   CYS  23           HB1      CYS  23   9.300 -14.852 -16.095
  184    HG   CYS  23           HG       CYS  23   8.129 -14.946 -18.271
  185    H    ASN  24           HN       ASN  24   8.589 -14.366 -12.680
  186    HA   ASN  24           HA       ASN  24   9.468 -17.187 -12.734
  187   1HB   ASN  24           HB2      ASN  24  10.092 -14.774 -11.090
  188   2HB   ASN  24           HB1      ASN  24  10.298 -16.352 -10.330
  189   1HD2  ASN  24          HD22      ASN  24  12.524 -15.706 -13.735
  190   2HD2  ASN  24          HD21      ASN  24  10.923 -15.144 -13.679
  191    H    ALA  25           HN       ALA  25   6.767 -15.435 -11.685
  192    HA   ALA  25           HA       ALA  25   4.942 -16.028 -10.333
  193   1HB   ALA  25           HB1      ALA  25   5.577 -18.252 -11.742
  194   2HB   ALA  25           HB3      ALA  25   5.833 -18.851 -10.104
  195   3HB   ALA  25           HB2      ALA  25   4.261 -18.202 -10.569
  196    H    ASP  26           HN       ASP  26   7.049 -14.945  -8.922
  197    HA   ASP  26           HA       ASP  26   7.420 -16.717  -6.563
  198   1HB   ASP  26           HB2      ASP  26   9.231 -15.241  -7.943
  199   2HB   ASP  26           HB1      ASP  26   8.775 -14.099  -6.688
  200    H    THR  27           HN       THR  27   5.223 -14.671  -7.567
  201    HA   THR  27           HA       THR  27   5.022 -12.912  -5.232
  202    HB   THR  27           HB       THR  27   3.054 -12.007  -6.326
  203    HG1  THR  27           HG1      THR  27   2.593 -13.095  -8.454
  204   1HG2  THR  27          HG23      THR  27   5.257 -12.645  -8.307
  205   2HG2  THR  27          HG22      THR  27   4.032 -11.395  -8.527
  206   3HG2  THR  27          HG21      THR  27   5.204 -11.260  -7.216
  207    H    SER  28           HN       SER  28   2.258 -12.938  -4.874
  208    HA   SER  28           HA       SER  28   1.985 -15.355  -3.222
  209   1HB   SER  28           HB2      SER  28   0.551 -12.750  -3.484
  210   2HB   SER  28           HB1      SER  28  -0.380 -14.123  -2.891
  211    HG   SER  28           HG       SER  28   1.617 -14.402  -1.485
  212    H    SER  29           HN       SER  29   1.680 -14.903  -6.376
  213    HA   SER  29           HA       SER  29   0.463 -17.108  -7.257
  214   1HB   SER  29           HB2      SER  29  -1.602 -15.452  -5.883
  215   2HB   SER  29           HB1      SER  29  -2.076 -16.268  -7.370
  216    HG   SER  29           HG       SER  29  -2.234 -17.423  -5.227
  217    H    GLU  30           HN       GLU  30  -1.201 -16.680  -9.227
  218    HA   GLU  30           HA       GLU  30   0.191 -15.112 -11.129
  219   1HB   GLU  30           HB2      GLU  30  -2.388 -16.537 -11.008
  220   2HB   GLU  30           HB1      GLU  30  -2.357 -15.189 -12.145
  221   1HG   GLU  30           HG2      GLU  30  -0.343 -16.102 -13.208
  222   2HG   GLU  30           HG1      GLU  30  -0.313 -17.428 -12.045
  223    H    GLU  31           HN       GLU  31  -2.600 -14.282  -9.085
  224    HA   GLU  31           HA       GLU  31  -3.336 -11.831 -10.226
  225   1HB   GLU  31           HB2      GLU  31  -4.638 -12.623  -8.393
  226   2HB   GLU  31           HB1      GLU  31  -3.228 -12.722  -7.338
  227   1HG   GLU  31           HG2      GLU  31  -3.273 -10.494  -6.850
  228   2HG   GLU  31           HG1      GLU  31  -3.759 -10.045  -8.485
  229    H    GLU  32           HN       GLU  32  -1.105 -12.108  -7.435
  230    HA   GLU  32           HA       GLU  32  -0.107  -9.470  -7.589
  231   1HB   GLU  32           HB2      GLU  32   0.567 -11.885  -6.186
  232   2HB   GLU  32           HB1      GLU  32   2.049 -11.166  -6.819
  233   1HG   GLU  32           HG2      GLU  32   1.609  -9.078  -5.728
  234   2HG   GLU  32           HG1      GLU  32  -0.036  -9.565  -5.320
  235    H    LEU  33           HN       LEU  33   0.475 -12.209  -9.623
  236    HA   LEU  33           HA       LEU  33   2.982 -11.281 -10.737
  237   1HB   LEU  33           HB2      LEU  33   1.430 -13.611 -10.883
  238   2HB   LEU  33           HB1      LEU  33   1.418 -12.956 -12.516
  239    HG   LEU  33           HG       LEU  33   4.046 -12.616 -11.791
  240   1HD1  LEU  33          HD12      LEU  33   2.863 -14.963 -10.350
  241   2HD1  LEU  33          HD11      LEU  33   4.503 -15.088 -10.986
  242   3HD1  LEU  33          HD13      LEU  33   4.106 -13.834  -9.811
  243   1HD2  LEU  33          HD23      LEU  33   2.612 -14.863 -13.222
  244   2HD2  LEU  33          HD22      LEU  33   3.459 -13.488 -13.932
  245   3HD2  LEU  33          HD21      LEU  33   4.372 -14.778 -13.148
  246    H    VAL  34           HN       VAL  34  -0.339 -10.520 -11.208
  247    HA   VAL  34           HA       VAL  34   0.018  -9.404 -13.896
  248    HB   VAL  34           HB       VAL  34  -2.174 -10.205 -12.385
  249   1HG1  VAL  34          HG12      VAL  34  -1.947  -7.197 -12.473
  250   2HG1  VAL  34          HG11      VAL  34  -3.513  -8.004 -12.390
  251   3HG1  VAL  34          HG13      VAL  34  -2.338  -8.226 -11.094
  252   1HG2  VAL  34          HG22      VAL  34  -2.077  -8.429 -14.846
  253   2HG2  VAL  34          HG21      VAL  34  -2.013 -10.191 -14.841
  254   3HG2  VAL  34          HG23      VAL  34  -3.480  -9.361 -14.323
  255    H    LYS  35           HN       LYS  35  -0.792  -7.984 -10.704
  256    HA   LYS  35           HA       LYS  35  -0.442  -5.286 -11.375
  257   1HB   LYS  35           HB2      LYS  35   0.091  -6.821  -8.833
  258   2HB   LYS  35           HB1      LYS  35   0.431  -5.092  -8.925
  259   1HG   LYS  35           HG2      LYS  35  -1.960  -4.819  -9.802
  260   2HG   LYS  35           HG1      LYS  35  -2.228  -6.485  -9.286
  261   1HD   LYS  35           HD2      LYS  35  -2.606  -5.738  -7.199
  262   2HD   LYS  35           HD1      LYS  35  -0.934  -5.178  -7.131
  263   1HE   LYS  35           HE2      LYS  35  -1.760  -3.083  -6.990
  264   2HE   LYS  35           HE1      LYS  35  -2.234  -3.253  -8.680
  265   1HZ   LYS  35           HZ2      LYS  35  -3.934  -4.229  -6.464
  266   2HZ   LYS  35           HZ1      LYS  35  -4.042  -2.636  -7.047
  267   3HZ   LYS  35           HZ3      LYS  35  -4.373  -3.940  -8.080
  268    H    LEU  36           HN       LEU  36   1.938  -7.805 -10.998
  269    HA   LEU  36           HA       LEU  36   4.227  -6.018 -10.814
  270   1HB   LEU  36           HB2      LEU  36   3.807  -8.717 -10.386
  271   2HB   LEU  36           HB1      LEU  36   4.690  -8.706 -11.908
  272    HG   LEU  36           HG       LEU  36   6.617  -8.091 -10.896
  273   1HD1  LEU  36          HD12      LEU  36   4.859  -6.087  -9.476
  274   2HD1  LEU  36          HD11      LEU  36   6.572  -6.251  -9.089
  275   3HD1  LEU  36          HD13      LEU  36   6.076  -5.789 -10.717
  276   1HD2  LEU  36          HD21      LEU  36   4.965  -9.380  -8.972
  277   2HD2  LEU  36          HD23      LEU  36   6.727  -9.339  -9.023
  278   3HD2  LEU  36          HD22      LEU  36   5.843  -8.105  -8.126
  279    H    VAL  37           HN       VAL  37   2.593  -7.846 -13.385
  280    HA   VAL  37           HA       VAL  37   4.450  -7.049 -15.457
  281    HB   VAL  37           HB       VAL  37   2.514  -8.941 -15.322
  282   1HG1  VAL  37          HG12      VAL  37   0.726  -7.213 -15.406
  283   2HG1  VAL  37          HG11      VAL  37   1.343  -6.678 -16.969
  284   3HG1  VAL  37          HG13      VAL  37   0.666  -8.297 -16.796
  285   1HG2  VAL  37          HG23      VAL  37   3.822  -7.537 -17.643
  286   2HG2  VAL  37          HG22      VAL  37   4.152  -9.143 -16.992
  287   3HG2  VAL  37          HG21      VAL  37   2.690  -8.858 -17.936
  288    H    THR  38           HN       THR  38   1.177  -5.935 -14.535
  289    HA   THR  38           HA       THR  38   0.885  -3.886 -16.443
  290    HB   THR  38           HB       THR  38  -0.302  -4.576 -13.881
  291    HG1  THR  38           HG1      THR  38  -1.917  -4.417 -15.184
  292   1HG2  THR  38          HG21      THR  38   0.044  -1.632 -14.508
  293   2HG2  THR  38          HG23      THR  38  -1.042  -2.286 -13.283
  294   3HG2  THR  38          HG22      THR  38   0.702  -2.481 -13.109
  295    H    HIS  39           HN       HIS  39   2.580  -3.842 -13.314
  296    HA   HIS  39           HA       HIS  39   3.316  -1.096 -13.321
  297   1HB   HIS  39           HB2      HIS  39   3.648  -2.832 -11.449
  298   2HB   HIS  39           HB1      HIS  39   5.101  -3.326 -12.319
  299    HD1  HIS  39           HD1      HIS  39   6.896  -2.363 -10.813
  300    HD2  HIS  39           HD2      HIS  39   3.988   0.451 -11.813
  301    HE1  HIS  39           HE1      HIS  39   7.735  -0.131  -9.958
  302    H    PHE  40           HN       PHE  40   4.888  -3.955 -14.742
  303    HA   PHE  40           HA       PHE  40   7.213  -2.682 -15.756
  304   1HB   PHE  40           HB2      PHE  40   6.841  -5.145 -15.792
  305   2HB   PHE  40           HB1      PHE  40   5.610  -4.923 -17.033
  306    HD1  PHE  40           HD1      PHE  40   6.230  -4.058 -19.285
  307    HD2  PHE  40           HD2      PHE  40   9.188  -5.003 -16.317
  308    HE1  PHE  40           HE1      PHE  40   7.985  -4.064 -21.037
  309    HE2  PHE  40           HE2      PHE  40  10.943  -5.010 -18.070
  310    HZ   PHE  40           HZ       PHE  40  10.341  -4.541 -20.429
  311    H    GLU  41           HN       GLU  41   3.920  -2.922 -17.079
  312    HA   GLU  41           HA       GLU  41   4.375  -1.815 -19.614
  313   1HB   GLU  41           HB2      GLU  41   2.236  -2.553 -17.827
  314   2HB   GLU  41           HB1      GLU  41   1.853  -1.067 -18.658
  315   1HG   GLU  41           HG2      GLU  41   3.064  -2.845 -20.524
  316   2HG   GLU  41           HG1      GLU  41   1.789  -3.714 -19.675
  317    H    GLU  42           HN       GLU  42   3.086  -0.200 -16.679
  318    HA   GLU  42           HA       GLU  42   3.264   2.443 -17.781
  319   1HB   GLU  42           HB2      GLU  42   2.187   1.329 -15.497
  320   2HB   GLU  42           HB1      GLU  42   3.540   2.262 -14.861
  321   1HG   GLU  42           HG2      GLU  42   2.722   4.289 -15.780
  322   2HG   GLU  42           HG1      GLU  42   1.603   3.446 -16.851
  323    H    MET  43           HN       MET  43   5.704   0.330 -16.880
  324    HA   MET  43           HA       MET  43   7.535   2.402 -15.857
  325   1HB   MET  43           HB2      MET  43   7.397  -0.459 -15.757
  326   2HB   MET  43           HB1      MET  43   8.932   0.004 -16.492
  327   1HG   MET  43           HG2      MET  43   9.553   0.156 -14.281
  328   2HG   MET  43           HG1      MET  43   8.902   1.783 -14.487
  329   1HE   MET  43           HE1      MET  43   7.424   2.770 -13.504
  330   2HE   MET  43           HE3      MET  43   6.112   2.242 -12.441
  331   3HE   MET  43           HE2      MET  43   7.766   2.309 -11.838
  332    H    THR  44           HN       THR  44   7.995  -0.030 -18.445
  333    HA   THR  44           HA       THR  44   9.679   1.918 -19.889
  334    HB   THR  44           HB       THR  44  10.772  -0.014 -20.309
  335    HG1  THR  44           HG1      THR  44  10.118  -0.077 -22.323
  336   1HG2  THR  44          HG22      THR  44   9.254  -1.026 -18.514
  337   2HG2  THR  44          HG21      THR  44   8.272  -1.643 -19.842
  338   3HG2  THR  44          HG23      THR  44   9.951  -2.156 -19.676
  339    H    GLU  45           HN       GLU  45   6.518   1.785 -19.693
  340    HA   GLU  45           HA       GLU  45   4.712   2.116 -21.180
  341   1HB   GLU  45           HB2      GLU  45   6.979   3.661 -22.468
  342   2HB   GLU  45           HB1      GLU  45   5.302   3.775 -23.005
  343   1HG   GLU  45           HG2      GLU  45   4.637   4.466 -20.712
  344   2HG   GLU  45           HG1      GLU  45   6.332   4.418 -20.226
  345    H    HIS  46           HN       HIS  46   7.455   0.406 -22.196
  346    HA   HIS  46           HA       HIS  46   7.596  -0.270 -24.714
  347   1HB   HIS  46           HB2      HIS  46   8.103  -1.816 -22.715
  348   2HB   HIS  46           HB1      HIS  46   6.472  -2.444 -22.943
  349    HD1  HIS  46           HD1      HIS  46   6.112  -4.091 -24.828
  350    HD2  HIS  46           HD2      HIS  46   9.835  -2.228 -25.047
  351    HE1  HIS  46           HE1      HIS  46   7.399  -5.276 -26.659
  352    HA   PRO  47           HA       PRO  47   3.705  -0.675 -26.686
  353   1HB   PRO  47           HB2      PRO  47   4.280  -2.634 -28.532
  354   2HB   PRO  47           HB1      PRO  47   4.848  -0.961 -28.667
  355   1HG   PRO  47           HG2      PRO  47   6.373  -3.405 -27.882
  356   2HG   PRO  47           HG1      PRO  47   6.954  -1.918 -28.650
  357   1HD   PRO  47           HD2      PRO  47   7.245  -2.570 -25.922
  358   2HD   PRO  47           HD1      PRO  47   7.462  -0.955 -26.629
  359    H    SER  48           HN       SER  48   5.112  -3.957 -26.248
  360    HA   SER  48           HA       SER  48   2.537  -5.232 -25.985
  361   1HB   SER  48           HB2      SER  48   5.210  -6.088 -26.149
  362   2HB   SER  48           HB1      SER  48   4.657  -6.626 -24.571
  363    HG   SER  48           HG       SER  48   3.855  -7.376 -27.116
  364    H    GLY  49           HN       GLY  49   4.768  -3.718 -23.734
  365   1HA   GLY  49           HA2      GLY  49   4.555  -3.246 -21.449
  366   2HA   GLY  49           HA1      GLY  49   2.810  -3.319 -21.720
  367    H    SER  50           HN       SER  50   1.705  -5.112 -21.021
  368    HA   SER  50           HA       SER  50   3.145  -7.014 -19.346
  369   1HB   SER  50           HB2      SER  50   0.645  -8.065 -19.538
  370   2HB   SER  50           HB1      SER  50   1.074  -6.782 -18.411
  371    HG   SER  50           HG       SER  50  -0.745  -6.638 -20.208
  372    H    ASP  51           HN       ASP  51   2.822  -6.795 -22.624
  373    HA   ASP  51           HA       ASP  51   2.300  -9.605 -23.210
  374   1HB   ASP  51           HB2      ASP  51   2.200  -7.272 -24.677
  375   2HB   ASP  51           HB1      ASP  51   3.706  -7.985 -25.218
  376    H    LEU  52           HN       LEU  52   5.071  -7.477 -22.741
  377    HA   LEU  52           HA       LEU  52   7.166  -8.928 -23.808
  378   1HB   LEU  52           HB2      LEU  52   6.861  -6.874 -21.954
  379   2HB   LEU  52           HB1      LEU  52   7.836  -8.084 -21.133
  380    HG   LEU  52           HG       LEU  52   9.626  -7.675 -22.468
  381   1HD1  LEU  52          HD13      LEU  52   7.594  -7.645 -24.715
  382   2HD1  LEU  52          HD12      LEU  52   9.318  -7.393 -24.983
  383   3HD1  LEU  52          HD11      LEU  52   8.743  -8.923 -24.322
  384   1HD2  LEU  52          HD21      LEU  52   7.817  -5.384 -23.291
  385   2HD2  LEU  52          HD23      LEU  52   9.036  -5.374 -22.017
  386   3HD2  LEU  52          HD22      LEU  52   9.529  -5.467 -23.708
  387    H    ILE  53           HN       ILE  53   5.050  -9.821 -21.261
  388    HA   ILE  53           HA       ILE  53   6.740 -12.215 -20.659
  389    HB   ILE  53           HB       ILE  53   4.520 -11.036 -18.956
  390   1HG1  ILE  53          HG12      ILE  53   7.259 -10.809 -17.948
  391   2HG1  ILE  53          HG11      ILE  53   7.011  -9.894 -19.435
  392   1HG2  ILE  53          HG22      ILE  53   6.049 -13.479 -18.882
  393   2HG2  ILE  53          HG21      ILE  53   6.423 -12.506 -17.460
  394   3HG2  ILE  53          HG23      ILE  53   4.753 -12.956 -17.807
  395   1HD1  ILE  53          HD11      ILE  53   4.971  -9.721 -17.238
  396   2HD1  ILE  53          HD13      ILE  53   6.455  -8.776 -17.122
  397   3HD1  ILE  53          HD12      ILE  53   5.363  -8.539 -18.487
  398    H    TYR  54           HN       TYR  54   3.499 -10.991 -21.347
  399    HA   TYR  54           HA       TYR  54   2.448 -13.744 -21.660
  400   1HB   TYR  54           HB2      TYR  54   1.104 -11.036 -21.921
  401   2HB   TYR  54           HB1      TYR  54   0.282 -12.590 -22.052
  402    HD1  TYR  54           HD2      TYR  54   2.514 -10.657 -19.743
  403    HD2  TYR  54           HD1      TYR  54  -0.589 -13.602 -20.128
  404    HE1  TYR  54           HE2      TYR  54   2.297 -10.751 -17.274
  405    HE2  TYR  54           HE1      TYR  54  -0.807 -13.696 -17.659
  406    HH   TYR  54           HH       TYR  54   1.287 -12.873 -15.598
  407    H    TYR  55           HN       TYR  55   4.440 -12.238 -23.499
  408    HA   TYR  55           HA       TYR  55   3.175 -13.134 -25.997
  409   1HB   TYR  55           HB2      TYR  55   2.997 -10.439 -25.302
  410   2HB   TYR  55           HB1      TYR  55   4.393 -10.502 -26.379
  411    HD1  TYR  55           HD1      TYR  55   1.057 -12.227 -26.194
  412    HD2  TYR  55           HD2      TYR  55   3.881 -10.063 -28.600
  413    HE1  TYR  55           HE1      TYR  55  -0.455 -12.428 -28.150
  414    HE2  TYR  55           HE2      TYR  55   2.369 -10.264 -30.556
  415    HH   TYR  55           HH       TYR  55  -0.276 -10.589 -30.806
  416    HA   PRO  56           HA       PRO  56   7.767 -13.721 -25.562
  417   1HB   PRO  56           HB2      PRO  56   7.652 -16.463 -25.351
  418   2HB   PRO  56           HB1      PRO  56   7.626 -15.369 -23.956
  419   1HG   PRO  56           HG2      PRO  56   5.382 -16.916 -25.171
  420   2HG   PRO  56           HG1      PRO  56   5.583 -16.353 -23.503
  421   1HD   PRO  56           HD2      PRO  56   3.944 -15.141 -25.465
  422   2HD   PRO  56           HD1      PRO  56   4.427 -14.411 -23.926
  423    H    LYS  57           HN       LYS  57   8.794 -13.809 -27.527
  424    HA   LYS  57           HA       LYS  57   7.730 -14.155 -30.002
  425   1HB   LYS  57           HB2      LYS  57  10.352 -14.185 -28.944
  426   2HB   LYS  57           HB1      LYS  57  10.235 -15.585 -30.011
  427   1HG   LYS  57           HG2      LYS  57   8.925 -13.384 -31.285
  428   2HG   LYS  57           HG1      LYS  57  10.514 -12.842 -30.743
  429   1HD   LYS  57           HD2      LYS  57  11.506 -13.989 -32.402
  430   2HD   LYS  57           HD1      LYS  57  10.753 -15.485 -31.848
  431   1HE   LYS  57           HE2      LYS  57  10.061 -15.060 -34.144
  432   2HE   LYS  57           HE1      LYS  57   8.673 -14.838 -33.079
  433   1HZ   LYS  57           HZ1      LYS  57   9.852 -12.388 -33.137
  434   2HZ   LYS  57           HZ3      LYS  57  10.022 -12.930 -34.735
  435   3HZ   LYS  57           HZ2      LYS  57   8.480 -12.851 -34.025
  436    H    GLU  58           HN       GLU  58   7.348 -15.904 -31.455
  437    HA   GLU  58           HA       GLU  58   6.446 -18.351 -30.179
  438   1HB   GLU  58           HB2      GLU  58   5.306 -17.409 -32.170
  439   2HB   GLU  58           HB1      GLU  58   6.760 -17.697 -33.127
  440   1HG   GLU  58           HG2      GLU  58   6.593 -20.123 -32.610
  441   2HG   GLU  58           HG1      GLU  58   5.098 -19.813 -31.726
  442    H    GLY  59           HN       GLY  59   8.479 -19.044 -29.230
  443   1HA   GLY  59           HA2      GLY  59   9.860 -21.110 -29.805
  444   2HA   GLY  59           HA1      GLY  59  10.384 -20.200 -31.225
  445    H    ASP  60           HN       ASP  60  10.033 -17.909 -28.940
  446    HA   ASP  60           HA       ASP  60  12.936 -17.883 -28.376
  447   1HB   ASP  60           HB2      ASP  60  11.436 -15.852 -29.087
  448   2HB   ASP  60           HB1      ASP  60  11.000 -15.812 -27.380
  449    H    ASP  61           HN       ASP  61  12.313 -16.259 -25.907
  450    HA   ASP  61           HA       ASP  61  11.448 -18.462 -24.089
  451   1HB   ASP  61           HB2      ASP  61  13.697 -16.698 -23.219
  452   2HB   ASP  61           HB1      ASP  61  13.365 -18.380 -22.804
  453    H    ASP  62           HN       ASP  62   9.988 -17.742 -22.604
  454    HA   ASP  62           HA       ASP  62   9.278 -14.909 -22.564
  455   1HB   ASP  62           HB2      ASP  62   7.839 -16.049 -20.545
  456   2HB   ASP  62           HB1      ASP  62   7.324 -16.018 -22.228
  457    H    SER  63           HN       SER  63  11.617 -16.719 -21.011
  458    HA   SER  63           HA       SER  63  11.735 -16.210 -18.358
  459   1HB   SER  63           HB2      SER  63  14.017 -15.228 -20.073
  460   2HB   SER  63           HB1      SER  63  14.093 -16.007 -18.495
  461    HG   SER  63           HG       SER  63  14.576 -17.356 -20.387
  462    HA   PRO  64           HA       PRO  64  11.270 -11.926 -17.585
  463   1HB   PRO  64           HB2      PRO  64  12.856 -11.659 -15.354
  464   2HB   PRO  64           HB1      PRO  64  11.272 -12.453 -15.340
  465   1HG   PRO  64           HG2      PRO  64  13.988 -13.681 -15.223
  466   2HG   PRO  64           HG1      PRO  64  12.449 -14.299 -14.599
  467   1HD   PRO  64           HD2      PRO  64  13.723 -15.133 -16.985
  468   2HD   PRO  64           HD1      PRO  64  12.044 -15.484 -16.521
  469    H    SER  65           HN       SER  65  14.508 -13.191 -18.023
  470    HA   SER  65           HA       SER  65  15.820 -10.599 -18.092
  471   1HB   SER  65           HB2      SER  65  17.042 -12.727 -17.632
  472   2HB   SER  65           HB1      SER  65  16.715 -13.246 -19.283
  473    HG   SER  65           HG       SER  65  18.703 -11.760 -18.428
  474    H    GLY  66           HN       GLY  66  15.676 -12.922 -20.794
  475   1HA   GLY  66           HA2      GLY  66  16.037 -11.237 -22.865
  476   2HA   GLY  66           HA1      GLY  66  14.914 -12.572 -23.006
  477    H    ILE  67           HN       ILE  67  13.528 -11.058 -20.673
  478    HA   ILE  67           HA       ILE  67  11.733  -9.503 -22.438
  479    HB   ILE  67           HB       ILE  67  11.515 -10.064 -19.460
  480   1HG1  ILE  67          HG12      ILE  67  10.565 -11.545 -21.909
  481   2HG1  ILE  67          HG11      ILE  67  11.368 -12.187 -20.475
  482   1HG2  ILE  67          HG21      ILE  67  10.238  -8.092 -20.357
  483   2HG2  ILE  67          HG23      ILE  67   9.409  -9.192 -21.460
  484   3HG2  ILE  67          HG22      ILE  67   9.204  -9.370 -19.717
  485   1HD1  ILE  67          HD13      ILE  67   8.703 -10.848 -20.162
  486   2HD1  ILE  67          HD12      ILE  67   8.760 -12.496 -20.787
  487   3HD1  ILE  67          HD11      ILE  67   9.428 -12.132 -19.195
  488    H    VAL  68           HN       VAL  68  13.939  -9.071 -19.719
  489    HA   VAL  68           HA       VAL  68  13.464  -6.187 -19.549
  490    HB   VAL  68           HB       VAL  68  15.899  -7.500 -18.412
  491   1HG1  VAL  68          HG13      VAL  68  14.900  -5.047 -18.107
  492   2HG1  VAL  68          HG12      VAL  68  13.917  -5.855 -16.887
  493   3HG1  VAL  68          HG11      VAL  68  15.676  -5.884 -16.762
  494   1HG2  VAL  68          HG22      VAL  68  13.099  -8.335 -17.916
  495   2HG2  VAL  68          HG21      VAL  68  14.600  -9.233 -17.687
  496   3HG2  VAL  68          HG23      VAL  68  14.082  -8.059 -16.477
  497    H    ASN  69           HN       ASN  69  15.666  -8.417 -21.094
  498    HA   ASN  69           HA       ASN  69  17.644  -6.475 -21.899
  499   1HB   ASN  69           HB2      ASN  69  17.619  -9.165 -21.897
  500   2HB   ASN  69           HB1      ASN  69  17.140  -8.894 -23.573
  501   1HD2  ASN  69          HD22      ASN  69  20.794  -8.919 -23.764
  502   2HD2  ASN  69          HD21      ASN  69  19.509 -10.018 -23.618
  503    H    THR  70           HN       THR  70  14.661  -7.722 -23.297
  504    HA   THR  70           HA       THR  70  14.978  -6.458 -25.873
  505    HB   THR  70           HB       THR  70  12.982  -8.051 -24.497
  506    HG1  THR  70           HG1      THR  70  12.631  -8.713 -26.566
  507   1HG2  THR  70          HG23      THR  70  12.153  -5.400 -25.318
  508   2HG2  THR  70          HG22      THR  70  11.317  -6.635 -26.260
  509   3HG2  THR  70          HG21      THR  70  11.222  -6.654 -24.499
  510    H    VAL  71           HN       VAL  71  13.279  -5.544 -22.875
  511    HA   VAL  71           HA       VAL  71  12.232  -3.070 -23.876
  512    HB   VAL  71           HB       VAL  71  11.793  -4.446 -21.627
  513   1HG1  VAL  71          HG11      VAL  71  14.049  -3.976 -20.749
  514   2HG1  VAL  71          HG13      VAL  71  13.728  -2.245 -20.856
  515   3HG1  VAL  71          HG12      VAL  71  12.808  -3.245 -19.730
  516   1HG2  VAL  71          HG22      VAL  71  11.295  -1.715 -22.554
  517   2HG2  VAL  71          HG21      VAL  71  10.193  -2.848 -21.773
  518   3HG2  VAL  71          HG23      VAL  71  11.262  -1.843 -20.796
  519    H    LYS  72           HN       LYS  72  15.058  -3.675 -21.765
  520    HA   LYS  72           HA       LYS  72  16.114  -1.155 -21.513
  521   1HB   LYS  72           HB2      LYS  72  17.240  -3.206 -20.680
  522   2HB   LYS  72           HB1      LYS  72  17.725  -3.594 -22.332
  523   1HG   LYS  72           HG2      LYS  72  19.080  -1.606 -22.482
  524   2HG   LYS  72           HG1      LYS  72  18.452  -0.999 -20.950
  525   1HD   LYS  72           HD2      LYS  72  20.521  -1.920 -20.329
  526   2HD   LYS  72           HD1      LYS  72  19.389  -3.220 -19.956
  527   1HE   LYS  72           HE2      LYS  72  19.862  -4.228 -22.185
  528   2HE   LYS  72           HE1      LYS  72  21.062  -2.968 -22.472
  529   1HZ   LYS  72           HZ2      LYS  72  21.983  -3.768 -20.203
  530   2HZ   LYS  72           HZ1      LYS  72  21.128  -5.194 -20.554
  531   3HZ   LYS  72           HZ3      LYS  72  22.338  -4.650 -21.611
  532    H    GLN  73           HN       GLN  73  16.393  -3.209 -24.415
  533    HA   GLN  73           HA       GLN  73  17.815  -1.155 -25.911
  534   1HB   GLN  73           HB2      GLN  73  16.602  -3.827 -26.561
  535   2HB   GLN  73           HB1      GLN  73  17.056  -2.738 -27.872
  536   1HG   GLN  73           HG2      GLN  73  19.323  -2.533 -26.594
  537   2HG   GLN  73           HG1      GLN  73  18.815  -4.022 -25.794
  538   1HE2  GLN  73          HE22      GLN  73  19.574  -6.046 -28.573
  539   2HE2  GLN  73          HE21      GLN  73  19.118  -5.962 -26.940
  540    H    TRP  74           HN       TRP  74  14.519  -1.867 -25.191
  541    HA   TRP  74           HA       TRP  74  13.215  -0.740 -27.460
  542   1HB   TRP  74           HB2      TRP  74  12.176  -2.024 -25.492
  543   2HB   TRP  74           HB1      TRP  74  12.219  -0.496 -24.615
  544    HD1  TRP  74           HD1      TRP  74  10.918  -1.819 -28.014
  545    HE1  TRP  74           HE1      TRP  74   8.716  -0.593 -28.557
  546    HE3  TRP  74           HE3      TRP  74  10.664   1.349 -24.018
  547    HZ2  TRP  74           HZ2      TRP  74   7.065   1.458 -27.442
  548    HZ3  TRP  74           HZ3      TRP  74   8.769   2.928 -23.783
  549    HH2  TRP  74           HH2      TRP  74   6.970   2.987 -25.489
  550    H    ARG  75           HN       ARG  75  13.674   0.850 -24.274
  551    HA   ARG  75           HA       ARG  75  13.025   3.450 -25.083
  552   1HB   ARG  75           HB2      ARG  75  15.256   3.441 -23.216
  553   2HB   ARG  75           HB1      ARG  75  13.581   3.916 -22.952
  554   1HG   ARG  75           HG2      ARG  75  13.921   1.020 -23.237
  555   2HG   ARG  75           HG1      ARG  75  14.785   1.691 -21.853
  556   1HD   ARG  75           HD2      ARG  75  11.861   2.200 -22.471
  557   2HD   ARG  75           HD1      ARG  75  12.449   1.041 -21.282
  558    HE   ARG  75           HE       ARG  75  13.631   3.243 -20.339
  559   1HH1  ARG  75          HH11      ARG  75  10.468   2.696 -21.590
  560   2HH1  ARG  75          HH12      ARG  75   9.756   4.028 -20.742
  561   1HH2  ARG  75          HH21      ARG  75  12.734   5.036 -19.281
  562   2HH2  ARG  75          HH22      ARG  75  11.038   5.352 -19.435
  563    H    ALA  76           HN       ALA  76  16.113   1.724 -25.418
  564    HA   ALA  76           HA       ALA  76  17.624   4.003 -26.284
  565   1HB   ALA  76           HB1      ALA  76  18.149   1.280 -25.841
  566   2HB   ALA  76           HB3      ALA  76  18.476   1.533 -27.556
  567   3HB   ALA  76           HB2      ALA  76  19.315   2.503 -26.346
  568    H    ALA  77           HN       ALA  77  15.295   1.989 -27.792
  569    HA   ALA  77           HA       ALA  77  15.997   2.881 -30.505
  570   1HB   ALA  77           HB2      ALA  77  13.809   1.105 -29.409
  571   2HB   ALA  77           HB1      ALA  77  13.959   1.519 -31.117
  572   3HB   ALA  77           HB3      ALA  77  15.234   0.599 -30.317
  573    H    ASN  78           HN       ASN  78  13.154   2.982 -28.360
  574    HA   ASN  78           HA       ASN  78  11.926   5.114 -29.905
  575   1HB   ASN  78           HB2      ASN  78  11.280   3.575 -27.393
  576   2HB   ASN  78           HB1      ASN  78  10.314   4.935 -27.917
  577   1HD2  ASN  78          HD22      ASN  78  10.242   1.449 -30.039
  578   2HD2  ASN  78          HD21      ASN  78  11.478   1.737 -28.920
  579    H    GLY  79           HN       GLY  79  14.480   4.993 -27.920
  580   1HA   GLY  79           HA2      GLY  79  15.616   6.607 -26.640
  581   2HA   GLY  79           HA1      GLY  79  14.558   7.804 -27.389
  582    H    LYS  80           HN       LYS  80  14.074   5.099 -25.084
  583    HA   LYS  80           HA       LYS  80  12.074   6.660 -23.629
  584   1HB   LYS  80           HB2      LYS  80  13.299   3.927 -23.274
  585   2HB   LYS  80           HB1      LYS  80  12.284   4.632 -22.017
  586   1HG   LYS  80           HG2      LYS  80  11.539   3.842 -24.821
  587   2HG   LYS  80           HG1      LYS  80  10.722   3.458 -23.306
  588   1HD   LYS  80           HD2      LYS  80   9.702   5.542 -23.167
  589   2HD   LYS  80           HD1      LYS  80  10.944   6.329 -24.140
  590   1HE   LYS  80           HE2      LYS  80  10.123   5.167 -26.148
  591   2HE   LYS  80           HE1      LYS  80   8.888   4.359 -25.183
  592   1HZ   LYS  80           HZ1      LYS  80   8.054   6.591 -24.570
  593   2HZ   LYS  80           HZ3      LYS  80   9.151   7.274 -25.668
  594   3HZ   LYS  80           HZ2      LYS  80   7.916   6.251 -26.228
  595    H    SER  81           HN       SER  81  12.358   6.772 -21.134
  596    HA   SER  81           HA       SER  81  14.680   8.380 -20.578
  597   1HB   SER  81           HB2      SER  81  12.211   7.814 -19.314
  598   2HB   SER  81           HB1      SER  81  13.469   7.367 -18.165
  599    HG   SER  81           HG       SER  81  12.890   9.591 -18.041
  600    H    GLY  82           HN       GLY  82  14.408   5.076 -20.883
  601   1HA   GLY  82           HA2      GLY  82  15.858   3.323 -20.315
  602   2HA   GLY  82           HA1      GLY  82  17.043   4.562 -19.901
  603    H    PHE  83           HN       PHE  83  17.215   2.554 -18.230
  604    HA   PHE  83           HA       PHE  83  15.361   2.648 -16.025
  605   1HB   PHE  83           HB2      PHE  83  18.118   1.428 -16.277
  606   2HB   PHE  83           HB1      PHE  83  16.896   1.028 -15.095
  607    HD1  PHE  83           HD2      PHE  83  14.835  -0.180 -15.725
  608    HD2  PHE  83           HD1      PHE  83  17.944   0.659 -18.568
  609    HE1  PHE  83           HE2      PHE  83  13.844  -1.824 -17.296
  610    HE2  PHE  83           HE1      PHE  83  16.953  -0.984 -20.138
  611    HZ   PHE  83           HZ       PHE  83  14.903  -2.226 -19.502
  612    H    LYS  84           HN       LYS  84  16.934   2.635 -13.813
  613    HA   LYS  84           HA       LYS  84  17.503   5.432 -13.397
  614   1HB   LYS  84           HB2      LYS  84  16.907   3.425 -11.714
  615   2HB   LYS  84           HB1      LYS  84  18.664   3.395 -11.554
  616   1HG   LYS  84           HG2      LYS  84  18.635   5.835 -11.064
  617   2HG   LYS  84           HG1      LYS  84  16.873   5.807 -11.139
  618   1HD   LYS  84           HD2      LYS  84  16.954   5.352  -8.922
  619   2HD   LYS  84           HD1      LYS  84  17.432   3.726  -9.409
  620   1HE   LYS  84           HE2      LYS  84  19.641   4.066  -8.877
  621   2HE   LYS  84           HE1      LYS  84  19.586   5.779  -9.295
  622   1HZ   LYS  84           HZ3      LYS  84  17.959   5.782  -7.226
  623   2HZ   LYS  84           HZ2      LYS  84  18.920   4.451  -6.786
  624   3HZ   LYS  84           HZ1      LYS  84  19.636   5.967  -7.056
  625    H    GLN  85           HN       GLN  85  19.990   4.596 -11.744
  626    HA   GLN  85           HA       GLN  85  21.916   4.545 -14.033
  627   1HB   GLN  85           HB2      GLN  85  21.506   6.769 -12.583
  628   2HB   GLN  85           HB1      GLN  85  22.671   5.971 -11.526
  629   1HG   GLN  85           HG2      GLN  85  24.056   5.599 -13.691
  630   2HG   GLN  85           HG1      GLN  85  23.025   6.850 -14.387
  631   1HE2  GLN  85          HE22      GLN  85  25.940   8.621 -12.928
  632   2HE2  GLN  85          HE21      GLN  85  25.675   7.537 -14.207
  633    H    GLY  86           HN       GLY  86  23.875   3.404 -13.627
  634   1HA   GLY  86           HA2      GLY  86  24.142   2.049 -11.002
  635   2HA   GLY  86           HA1      GLY  86  23.998   1.027 -12.433
   
  No H/Q in entry =         635