*HEADER    SIGNALING PROTEIN                       13-JAN-00   1DU1              
*TITLE     PEPTIDE FRAGMENT THR671-LEU690 OF THE RABBIT SKELETAL                 
*TITLE    2 DIHYDROPYRIDINE RECEPTOR                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SKELETAL DIHYDROPYRIDINE RECEPTOR;                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: II-III LOOP REGION, FRAGMENT THR671-LEU690 A1;             
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED.              
*SOURCE   4 THE SEQUENCE OF THIS PEPTIDE NATURALLY OCCURS IN RABBIT              
*SOURCE   5 (ORYCTOLAGUS CUNICULUS)                                              
*KEYWDS    DIHYDROPYRIDINE RECEPTOR, RYANODINE RECEPTOR, NMR STRUCTURE           
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    M.CASAROTTO, A.DULHUNTY                                               
*REVDAT   1   19-JUL-00 1DU1    0   

assign (resid   1 and name  HT# )(resid   2 and name   HN ) 3.80 1.90 0.70
assign (resid   1 and name  HT# )(resid   1 and name   HA ) 2.40 0.50 0.30
assign (resid   1 and name  HT# )(resid   1 and name HG2# ) 2.40 0.50 0.30
assign (resid   1 and name  HT# )(resid   1 and name   HB ) 3.80 1.90 0.70
assign (resid   1 and name  HT# )(resid   4 and name  HB# ) 3.80 1.90 0.70
assign (resid   1 and name  HT# )(resid   4 and name  HG# ) 5.00 3.10 0.80
assign (resid   1 and name   HA )(resid   1 and name   HB ) 2.40 0.50 0.30
assign (resid   1 and name   HA )(resid   1 and name HG2# ) 2.80 0.90 0.70
assign (resid   1 and name   HA )(resid   4 and name  HB# ) 5.00 3.10 0.80
assign (resid   1 and name   HB )(resid   1 and name HG2# ) 2.40 0.50 0.30
assign (resid   1 and name   HB )(resid   1 and name   HA ) 2.40 0.50 0.30
assign (resid   1 and name HG2# )(resid   4 and name HE2# ) 5.00 3.10 0.80
assign (resid   2 and name   HN )(resid   3 and name   HN ) 2.80 0.90 0.70
assign (resid   2 and name   HN )(resid   4 and name   HN ) 5.00 3.10 0.80
assign (resid   2 and name   HN )(resid   2 and name   HA ) 2.80 0.90 0.70
assign (resid   2 and name   HN )(resid   2 and name  HB# ) 2.80 0.90 0.70
assign (resid   2 and name   HN )(resid   1 and name   HB ) 2.40 0.50 0.30
assign (resid   2 and name   HN )(resid   1 and name   HA ) 2.40 0.50 0.30
assign (resid   2 and name   HN )(resid   3 and name  HB# ) 5.00 3.10 0.80
assign (resid   2 and name   HN )(resid   1 and name HG2# ) 5.00 3.10 0.80
assign (resid   2 and name   HN )(resid   5 and name  HB# ) 5.00 3.10 0.80
assign (resid   2 and name   HA )(resid   2 and name  HB# ) 2.80 0.90 0.70
assign (resid   2 and name   HA )(resid   5 and name  HB# ) 5.00 3.10 0.80
assign (resid   2 and name  HB# )(resid   3 and name   HN ) 3.80 1.90 0.70
assign (resid   3 and name   HN )(resid   4 and name   HN ) 2.40 0.50 0.30
assign (resid   3 and name   HN )(resid   5 and name   HN ) 5.00 3.10 0.80
assign (resid   3 and name   HN )(resid   3 and name   HA ) 2.40 0.50 0.30
assign (resid   3 and name   HN )(resid   3 and name  HB# ) 2.40 0.50 0.30
assign (resid   3 and name   HN )(resid   1 and name HG2# ) 5.00 3.10 0.80
assign (resid   3 and name   HA )(resid   4 and name   HN ) 2.80 0.90 0.70
assign (resid   3 and name   HA )(resid   6 and name   HN ) 3.80 1.90 0.70
assign (resid   3 and name   HA )(resid   3 and name   HN ) 2.80 0.90 0.70
assign (resid   3 and name   HA )(resid   3 and name  HB# ) 2.40 0.50 0.30
assign (resid   3 and name   HA )(resid   6 and name  HB# ) 3.80 1.90 0.70
assign (resid   3 and name  HB# )(resid   3 and name   HN ) 2.40 0.50 0.30
assign (resid   4 and name   HN )(resid   5 and name   HN ) 2.40 0.50 0.30
assign (resid   4 and name   HN )(resid   6 and name   HN ) 5.00 3.10 0.80
assign (resid   4 and name   HN )(resid   4 and name   HA ) 2.40 0.50 0.30
assign (resid   4 and name   HN )(resid   4 and name  HB# ) 5.00 3.10 0.80
assign (resid   4 and name   HN )(resid   4 and name  HG# ) 2.80 0.90 0.70
assign (resid   4 and name   HN )(resid   2 and name  HB# ) 5.00 3.10 0.80
assign (resid   4 and name   HN )(resid   1 and name   HB ) 5.00 3.10 0.80
assign (resid   4 and name   HN )(resid   1 and name   HA ) 5.00 3.10 0.80
assign (resid   4 and name   HN )(resid   3 and name  HB# ) 2.80 0.90 0.70
assign (resid   4 and name   HN )(resid   1 and name HG2# ) 5.00 3.10 0.80
assign (resid   4 and name   HA )(resid   5 and name   HN ) 2.80 0.90 0.70
assign (resid   4 and name   HA )(resid   4 and name   HN ) 2.40 0.50 0.30
assign (resid   4 and name   HA )(resid   4 and name  HG# ) 2.80 0.90 0.70
assign (resid   4 and name  HG# )(resid   5 and name   HN ) 5.00 3.10 0.80
assign (resid   4 and name  HG# )(resid   4 and name   HN ) 2.80 0.90 0.70
assign (resid   4 and name  HG# )(resid   4 and name   HA ) 2.80 0.90 0.70
assign (resid   4 and name  HG# )(resid   1 and name HG2# ) 5.00 3.10 0.80
assign (resid   4 and name  HB# )(resid   4 and name HE2# ) 5.00 3.10 0.80
assign (resid   4 and name  HG# )(resid   3 and name  HB# ) 5.00 3.10 0.80
assign (resid   4 and name  HG# )(resid   7 and name  HB# ) 5.00 3.10 0.80
assign (resid   4 and name  HG# )(resid   7 and name  HG# ) 5.00 3.10 0.80
assign (resid   4 and name   HA )(resid   7 and name  HB# ) 5.00 3.10 0.80
assign (resid   5 and name   HN )(resid   6 and name   HN ) 2.40 0.50 0.30
assign (resid   5 and name   HN )(resid   7 and name   HN ) 5.00 3.10 0.80
assign (resid   5 and name   HN )(resid   5 and name   HA ) 2.80 0.90 0.70
assign (resid   5 and name   HN )(resid   4 and name  HG# ) 5.00 3.10 0.80
assign (resid   5 and name   HN )(resid   4 and name  HB# ) 2.80 0.90 0.70
assign (resid   5 and name   HN )(resid   5 and name  HB# ) 2.80 0.90 0.70
assign (resid   5 and name   HN )(resid   5 and name  HD# ) 5.00 3.10 0.80
assign (resid   5 and name   HN )(resid   2 and name   HA ) 5.00 3.10 0.80
assign (resid   5 and name   HA )(resid   6 and name   HN ) 2.80 0.90 0.70
assign (resid   5 and name   HA )(resid   5 and name  HE# ) 5.00 3.10 0.80
assign (resid   5 and name   HA )(resid   8 and name  HB# ) 5.00 3.10 0.80
assign (resid   5 and name  HB# )(resid   5 and name   HN ) 2.80 0.90 0.70
assign (resid   5 and name  HG# )(resid   5 and name   HN ) 5.00 3.10 0.80
assign (resid   5 and name  HG# )(resid   5 and name   HA ) 3.80 1.90 0.70
assign (resid   5 and name  HG# )(resid   5 and name  HB# ) 3.80 1.90 0.70
assign (resid   5 and name  HG# )(resid   5 and name  HD# ) 2.40 0.50 0.30
assign (resid   6 and name   HN )(resid   7 and name   HN ) 2.40 0.50 0.30
assign (resid   6 and name   HN )(resid   8 and name   HN ) 5.00 3.10 0.80
assign (resid   6 and name   HN )(resid   6 and name  HB# ) 2.40 0.50 0.30
assign (resid   6 and name   HN )(resid   6 and name   HA ) 2.40 0.50 0.30
assign (resid   6 and name   HN )(resid   2 and name   HA ) 5.00 3.10 0.80
assign (resid   6 and name   HN )(resid   6 and name  HB# ) 2.40 0.50 0.30
assign (resid   6 and name   HA )(resid   9 and name  HB# ) 5.00 3.10 0.80
assign (resid   7 and name   HN )(resid   8 and name   HN ) 2.80 0.90 0.70
assign (resid   7 and name   HN )(resid   9 and name   HN ) 5.00 3.10 0.80
assign (resid   7 and name   HN )(resid   7 and name   HA ) 2.40 0.50 0.30
assign (resid   7 and name   HN )(resid   6 and name   HA ) 2.80 0.90 0.70
assign (resid   7 and name   HN )(resid   7 and name  HB# ) 2.40 0.50 0.30
assign (resid   7 and name   HN )(resid   4 and name   HA ) 3.80 1.90 0.70
assign (resid   7 and name   HN )(resid   7 and name  HD# ) 5.00 3.10 0.80
assign (resid   7 and name   HN )(resid   7 and name  HG# ) 2.40 0.50 0.30
assign (resid   7 and name   HN )(resid   7 and name  HG# ) 5.00 3.10 0.80
assign (resid   7 and name   HA )(resid  10 and name   HN ) 3.80 1.90 0.70
assign (resid   7 and name   HA )(resid   8 and name   HN ) 2.80 0.90 0.70
assign (resid   7 and name   HA )(resid   7 and name   HN ) 2.40 0.50 0.30
assign (resid   7 and name   HA )(resid   7 and name  HE# ) 5.00 3.10 0.80
assign (resid   7 and name   HA )(resid   7 and name  HB# ) 2.40 0.50 0.30
assign (resid   7 and name   HA )(resid   7 and name  HD# ) 5.00 3.10 0.80
assign (resid   7 and name   HA )(resid   7 and name  HG# ) 2.40 0.50 0.30
assign (resid   7 and name   HA )(resid   7 and name  HG# ) 5.00 3.10 0.80
assign (resid   7 and name   HA )(resid  10 and name  HB# ) 3.80 1.90 0.70
assign (resid   8 and name   HN )(resid   9 and name   HN ) 2.40 0.50 0.30
assign (resid   8 and name   HN )(resid  10 and name   HN ) 5.00 3.10 0.80
assign (resid   8 and name   HN )(resid   8 and name   HA ) 2.40 0.50 0.30
assign (resid   8 and name   HN )(resid   9 and name  HG# ) 5.00 3.10 0.80
assign (resid   8 and name   HA )(resid   9 and name   HN ) 2.40 0.50 0.30
assign (resid   8 and name   HA )(resid   11 and name HB# ) 5.00 3.10 0.80
assign (resid   8 and name   HA )(resid   8 and name  HB# ) 2.40 0.50 0.30
assign (resid   8 and name  HB# )(resid   8 and name   HN ) 2.40 0.50 0.30
assign (resid   9 and name   HN )(resid  10 and name   HN ) 2.80 0.90 0.70
assign (resid   9 and name   HN )(resid  11 and name   HN ) 5.00 3.10 0.80
assign (resid   9 and name   HN )(resid   9 and name   HA ) 2.40 0.50 0.30
assign (resid   9 and name   HN )(resid   8 and name   HA ) 2.40 0.50 0.30
assign (resid   9 and name   HN )(resid   9 and name  HG# ) 2.80 0.90 0.70
assign (resid   9 and name   HN )(resid   6 and name   HA ) 5.00 3.10 0.80
assign (resid   9 and name   HA )(resid  10 and name   HN ) 2.80 0.90 0.70
assign (resid   9 and name   HA )(resid   9 and name  HG# ) 2.80 0.90 0.70
assign (resid   9 and name  HB# )(resid   9 and name   HN ) 3.80 1.90 0.70
assign (resid   9 and name  HB# )(resid  10 and name   HN ) 2.80 0.90 0.70
assign (resid   9 and name  HB# )(resid   5 and name  HD# ) 5.00 3.10 0.80
assign (resid   9 and name  HG# )(resid   5 and name  HB# ) 5.00 3.10 0.80
assign (resid   9 and name  HG# )(resid   5 and name  HG# ) 5.00 3.10 0.80
assign (resid   9 and name  HG# )(resid  10 and name   HN ) 2.80 0.90 0.70
assign (resid   9 and name  HG# )(resid  12 and name  HB# ) 5.00 3.10 0.80
assign (resid  10 and name   HN )(resid  11 and name   HN ) 3.80 1.90 0.70
assign (resid  10 and name   HN )(resid  10 and name   HA ) 2.40 0.50 0.30
assign (resid  10 and name   HN )(resid  10 and name  HG# ) 5.00 3.10 0.80
assign (resid  10 and name   HA )(resid  11 and name   HN ) 2.40 0.50 0.30
assign (resid  10 and name   HA )(resid  10 and name  HG# ) 3.80 1.90 0.70
assign (resid  10 and name   HA )(resid  13 and name  HB# ) 5.00 3.10 0.80
assign (resid  10 and name  HB# )(resid  14 and name  HB# ) 5.00 3.10 0.80
assign (resid  11 and name   HN )(resid  12 and name   HN ) 2.80 0.90 0.70
assign (resid  11 and name   HN )(resid  11 and name   HA ) 2.40 0.50 0.30
assign (resid  11 and name   HN )(resid  11 and name  HB# ) 2.80 0.90 0.70
assign (resid  11 and name   HN )(resid  11 and name  HG# ) 3.80 1.90 0.70
assign (resid  11 and name   HN )(resid  12 and name  HD# ) 5.00 3.10 0.80
assign (resid  11 and name   HN )(resid  12 and name  HG# ) 5.00 3.10 0.80
assign (resid  11 and name   HN )(resid  11 and name  HD# ) 5.00 3.10 0.80
assign (resid  11 and name   HA )(resid  12 and name   HN ) 2.80 0.90 0.70
assign (resid  11 and name   HA )(resid  11 and name  HD# ) 5.00 3.10 0.80
assign (resid  11 and name   HA )(resid  11 and name  HB# ) 2.40 0.50 0.30
assign (resid  11 and name   HA )(resid  12 and name  HD# ) 5.00 3.10 0.80
assign (resid  11 and name   HE )
((resid  8 and name  HA )  or    (resid  7 and name   HA )) 5.00 3.10 0.80
assign (resid  12 and name   HN )(resid  13 and name   HN ) 5.00 3.10 0.80
assign (resid  12 and name   HN )(resid  12 and name   HA ) 2.40 0.50 0.30
assign (resid  12 and name   HN )(resid  11 and name   HA ) 2.80 0.90 0.70
assign (resid  12 and name   HN )(resid  10 and name   HN ) 5.00 3.10 0.80
assign (resid  12 and name   HN )(resid  12 and name  HB# ) 2.40 0.50 0.30
assign (resid  12 and name   HN )(resid  12 and name  HD# ) 5.00 3.10 0.80
assign (resid  12 and name   HN )(resid  11 and name  HD# ) 5.00 3.10 0.80
assign (resid  12 and name   HN )(resid  12 and name  HG# ) 5.00 3.10 0.80
assign (resid  12 and name   HA )(resid  13 and name   HN ) 2.40 0.50 0.30
assign (resid  12 and name   HA )(resid  11 and name  HD# ) 5.00 3.10 0.80
assign (resid  12 and name   HA )(resid  12 and name  HB1 ) 2.40 0.50 0.30
assign (resid  12 and name   HA )(resid  12 and name  HD# ) 3.80 1.90 0.70
assign (resid  12 and name   HA )(resid  12 and name  HG# ) 3.80 1.90 0.70
assign (resid  13 and name   HN )(resid  14 and name   HN ) 5.00 3.10 0.80
assign (resid  13 and name   HN )(resid  12 and name  HB# ) 3.80 1.90 0.70
assign (resid  13 and name   HN )(resid  13 and name  HD# ) 5.00 3.10 0.80
assign (resid  13 and name   HE )
((resid  10 and name  HA )  or   (resid  9 and name   HA )) 5.00 3.10 0.80
assign (resid  13 and name   HE )(resid   9 and name  HG# ) 5.00 3.10 0.80
assign (resid  13 and name   HN )(resid  13 and name  HG# ) 3.80 1.90 0.70
assign (resid  13 and name   HN )(resid  13 and name  HB# ) 3.80 1.90 0.70
assign (resid  13 and name   HA )(resid  13 and name   HN ) 2.40 0.50 0.30
assign (resid  13 and name   HA )(resid  14 and name   HN ) 2.40 0.50 0.30
assign (resid  13 and name   HA )(resid  13 and name  HB1 ) 3.80 1.90 0.70
assign (resid  13 and name   HA )(resid  13 and name  HB2 ) 2.40 0.50 0.30
assign (resid  13 and name   HA )(resid  13 and name  HG# ) 3.80 1.90 0.70
assign (resid  13 and name   HA )(resid  13 and name  HD# ) 3.80 1.90 0.70
assign (resid  14 and name   HN )(resid  14 and name   HA ) 2.40 0.50 0.30
assign (resid  14 and name   HN )(resid  14 and name  HB# ) 2.40 0.50 0.30
assign (resid  14 and name   HN )(resid  11 and name   HA ) 5.00 3.10 0.80
assign (resid  14 and name   HE )
((resid  10 and name  HA )  or  (resid   11 and name  HA )) 5.00 3.10 0.80
assign (resid  14 and name   HE )(resid  10 and name  HG# ) 5.00 3.10 0.80
assign (resid  14 and name   HA )(resid  14 and name  HB# ) 3.80 1.90 0.70
assign (resid  14 and name   HA )(resid  14 and name  HG# ) 3.80 1.90 0.70
assign (resid  14 and name  HD# )(resid  14 and name   HN ) 5.00 3.10 0.80
assign (resid  15 and name   HN )(resid  16 and name   HN ) 2.80 0.90 0.70
assign (resid  15 and name   HN )(resid  15 and name   HA ) 2.40 0.50 0.30
assign (resid  15 and name   HN )(resid  14 and name   HA ) 2.80 0.90 0.70
assign (resid  15 and name   HN )(resid  15 and name  HG# ) 5.00 3.10 0.80
assign (resid  15 and name   HN )(resid  15 and name  HD# ) 3.80 1.90 0.70
assign (resid  15 and name   HA )(resid  16 and name   HN ) 2.40 0.50 0.30
assign (resid  15 and name   HA )(resid  15 and name  HB# ) 2.40 0.50 0.30
assign (resid  15 and name   HA )(resid  15 and name  HD# ) 3.80 1.90 0.70
assign (resid  15 and name   HA )(resid  15 and name  HG# ) 2.80 0.90 0.70
assign (resid  16 and name   HN )(resid  16 and name   HA ) 2.80 0.90 0.70
assign (resid  16 and name   HN )(resid  16 and name  HG# ) 5.00 3.10 0.80
assign (resid  16 and name   HN )(resid  16 and name  HB# ) 3.80 1.90 0.70
assign (resid  16 and name   HN )(resid  15 and name  HG# ) 2.80 0.90 0.70
assign (resid  16 and name   HA )(resid  17 and name   HN ) 2.80 0.90 0.70
assign (resid  16 and name   HA )(resid  16 and name  HB# ) 5.00 3.10 0.80
assign (resid  17 and name   HN )(resid  18 and name   HN ) 2.80 0.90 0.70
assign (resid  17 and name   HN )(resid  17 and name   HA ) 2.80 0.90 0.70
assign (resid  17 and name   HN )(resid  17 and name  HB# ) 2.80 0.90 0.70
assign (resid  17 and name   HN )(resid  16 and name  HB# ) 5.00 3.10 0.80
assign (resid  17 and name   HA )(resid  18 and name   HN ) 2.40 0.50 0.30
assign (resid  17 and name   HA )(resid  17 and name  HB# ) 3.80 1.90 0.70
assign (resid  17 and name  HB# )(resid  18 and name   HN ) 5.00 3.10 0.80
assign (resid  18 and name   HN )(resid  18 and name   HA ) 2.40 0.50 0.30
assign (resid  18 and name   HN )(resid  20 and name   HN ) 3.80 1.90 0.70
assign (resid  18 and name   HN )(resid  15 and name   HA ) 5.00 3.10 0.80
assign (resid  18 and name   HN )(resid  18 and name  HB# ) 5.00 3.10 0.80
assign (resid  18 and name   HN )(resid  18 and name  HG# ) 5.00 3.10 0.80
assign (resid  18 and name   HA )(resid  19 and name   HN ) 2.80 0.90 0.70
assign (resid  18 and name   HA )(resid  18 and name  HD# ) 5.00 3.10 0.80
assign (resid  18 and name   HA )(resid  18 and name  HB# ) 5.00 3.10 0.80
assign (resid  18 and name   HA )(resid  18 and name  HG# ) 5.00 3.10 0.80
assign (resid  19 and name   HN )(resid  20 and name   HN ) 3.80 1.90 0.70
assign (resid  19 and name   HN )(resid  19 and name  HA# ) 2.40 0.50 0.30
assign (resid  19 and name  HA# )(resid  20 and name   HN ) 2.80 0.90 0.70
assign (resid  20 and name   HN )(resid  20 and name  HB# ) 3.80 1.90 0.70
assign (resid  20 and name   HA )(resid  20 and name  HB# ) 3.80 1.90 0.70
assign (resid  20 and name  HD# )(resid  20 and name  HB# ) 2.40 0.50 0.30
assign (resid  20 and name  HG  )(resid  20 and name   HA ) 2.80 0.90 0.70
assign (resid   1 and name  OG1 )(resid   4 and name    N ) 3.30 0.80 0.20
assign (resid   1 and name  OG1 )(resid   4 and name   HN ) 2.30 0.50 0.20
assign (resid   4 and name    O )(resid   7 and name    N ) 3.30 0.80 0.20
assign (resid   4 and name    O )(resid   7 and name   HN ) 2.30 0.50 0.20
assign (resid   6 and name    O )(resid  10 and name    N ) 3.30 0.80 0.20
assign (resid   6 and name    O )(resid  10 and name   HN ) 2.30 0.50 0.20

                                             

  Entry H atom name         Submitted Coord H atom name
    1   1H    THR   1           HT1      THR   1   5.914  -8.298 -10.131
    2   2H    THR   1           HT2      THR   1   4.675  -9.395  -9.746
    3   3H    THR   1           HT3      THR   1   6.011  -9.905 -10.663
    4    HA   THR   1           HA       THR   1   6.685 -10.702  -8.649
    5    HB   THR   1           HB       THR   1   8.264  -9.013  -7.750
    6    HG1  THR   1           HG1      THR   1   8.100  -6.907  -8.835
    7   1HG2  THR   1          HG21      THR   1   8.154  -8.517 -10.707
    8   2HG2  THR   1          HG22      THR   1   8.432 -10.155 -10.113
    9   3HG2  THR   1          HG23      THR   1   9.550  -8.859  -9.685
   10    H    SER   2           HN       SER   2   6.775 -10.316  -6.194
   11    HA   SER   2           HA       SER   2   4.158  -9.948  -5.124
   12   1HB   SER   2           HB2      SER   2   6.542  -9.487  -3.406
   13   2HB   SER   2           HB1      SER   2   5.200 -10.605  -3.183
   14    HG   SER   2           HG       SER   2   7.604 -10.922  -4.518
   15    H    ALA   3           HN       ALA   3   7.016  -7.783  -4.949
   16    HA   ALA   3           HA       ALA   3   5.760  -5.653  -3.581
   17   1HB   ALA   3           HB1      ALA   3   8.083  -5.936  -5.477
   18   2HB   ALA   3           HB2      ALA   3   8.117  -5.670  -3.734
   19   3HB   ALA   3           HB3      ALA   3   7.651  -4.359  -4.817
   20    H    GLN   4           HN       GLN   4   6.098  -6.289  -7.056
   21    HA   GLN   4           HA       GLN   4   4.975  -3.938  -8.077
   22   1HB   GLN   4           HB2      GLN   4   5.339  -6.763  -8.923
   23   2HB   GLN   4           HB1      GLN   4   4.207  -5.800  -9.873
   24   1HG   GLN   4           HG2      GLN   4   6.004  -4.033 -10.062
   25   2HG   GLN   4           HG1      GLN   4   7.120  -5.181  -9.322
   26   1HE2  GLN   4          HE21      GLN   4   4.624  -5.332 -11.941
   27   2HE2  GLN   4          HE22      GLN   4   5.618  -6.172 -13.031
   28    H    LYS   5           HN       LYS   5   3.427  -6.874  -6.872
   29    HA   LYS   5           HA       LYS   5   0.735  -6.213  -7.666
   30   1HB   LYS   5           HB2      LYS   5   1.638  -8.465  -7.036
   31   2HB   LYS   5           HB1      LYS   5   1.751  -7.912  -5.364
   32   1HG   LYS   5           HG2      LYS   5  -0.871  -7.306  -6.371
   33   2HG   LYS   5           HG1      LYS   5  -0.518  -9.008  -6.676
   34   1HD   LYS   5           HD2      LYS   5   0.400  -8.245  -4.038
   35   2HD   LYS   5           HD1      LYS   5  -1.312  -7.862  -4.230
   36   1HE   LYS   5           HE2      LYS   5  -1.885 -10.113  -4.699
   37   2HE   LYS   5           HE1      LYS   5  -0.205 -10.552  -5.067
   38   1HZ   LYS   5           HZ1      LYS   5  -1.257 -10.996  -2.697
   39   2HZ   LYS   5           HZ2      LYS   5  -0.760  -9.392  -2.442
   40   3HZ   LYS   5           HZ3      LYS   5   0.376 -10.576  -2.885
   41    H    ALA   6           HN       ALA   6   2.746  -5.269  -4.954
   42    HA   ALA   6           HA       ALA   6   0.811  -4.494  -3.066
   43   1HB   ALA   6           HB1      ALA   6   3.342  -2.972  -3.696
   44   2HB   ALA   6           HB2      ALA   6   3.385  -4.579  -2.972
   45   3HB   ALA   6           HB3      ALA   6   2.606  -3.248  -2.117
   46    H    LYS   7           HN       LYS   7   2.049  -2.787  -5.904
   47    HA   LYS   7           HA       LYS   7   0.736  -0.313  -5.401
   48   1HB   LYS   7           HB2      LYS   7   1.849  -1.654  -7.868
   49   2HB   LYS   7           HB1      LYS   7   1.289   0.018  -7.851
   50   1HG   LYS   7           HG2      LYS   7   2.884   0.347  -5.854
   51   2HG   LYS   7           HG1      LYS   7   3.601  -1.191  -6.335
   52   1HD   LYS   7           HD2      LYS   7   3.494   0.080  -8.740
   53   2HD   LYS   7           HD1      LYS   7   3.745   1.451  -7.659
   54   1HE   LYS   7           HE2      LYS   7   5.743   0.415  -6.719
   55   2HE   LYS   7           HE1      LYS   7   5.459  -1.060  -7.666
   56   1HZ   LYS   7           HZ1      LYS   7   6.876   0.125  -9.032
   57   2HZ   LYS   7           HZ2      LYS   7   6.211   1.630  -8.609
   58   3HZ   LYS   7           HZ3      LYS   7   5.359   0.581  -9.639
   59    H    ALA   8           HN       ALA   8  -0.241  -3.274  -7.021
   60    HA   ALA   8           HA       ALA   8  -2.682  -2.054  -8.044
   61   1HB   ALA   8           HB1      ALA   8  -2.914  -4.125  -9.262
   62   2HB   ALA   8           HB2      ALA   8  -1.761  -4.928  -8.196
   63   3HB   ALA   8           HB3      ALA   8  -1.207  -3.687  -9.320
   64    H    GLU   9           HN       GLU   9  -2.285  -2.236  -5.237
   65    HA   GLU   9           HA       GLU   9  -4.816  -3.441  -4.493
   66   1HB   GLU   9           HB2      GLU   9  -3.933  -5.479  -4.055
   67   2HB   GLU   9           HB1      GLU   9  -2.292  -4.868  -4.260
   68   1HG   GLU   9           HG2      GLU   9  -2.213  -4.083  -1.990
   69   2HG   GLU   9           HG1      GLU   9  -3.935  -4.392  -1.761
   70    H    GLU  10           HN       GLU  10  -1.789  -1.951  -3.432
   71    HA   GLU  10           HA       GLU  10  -2.804  -1.160  -0.856
   72   1HB   GLU  10           HB2      GLU  10  -0.365  -1.498  -1.865
   73   2HB   GLU  10           HB1      GLU  10  -0.529   0.224  -2.213
   74   1HG   GLU  10           HG2      GLU  10  -0.647   0.808   0.035
   75   2HG   GLU  10           HG1      GLU  10  -1.247  -0.778   0.521
   76    H    ARG  11           HN       ARG  11  -4.534  -0.353  -3.007
   77    HA   ARG  11           HA       ARG  11  -4.212   2.470  -3.520
   78   1HB   ARG  11           HB2      ARG  11  -5.493   0.687  -4.864
   79   2HB   ARG  11           HB1      ARG  11  -6.747   0.823  -3.631
   80   1HG   ARG  11           HG2      ARG  11  -7.033   3.189  -4.106
   81   2HG   ARG  11           HG1      ARG  11  -5.674   3.164  -5.230
   82   1HD   ARG  11           HD2      ARG  11  -8.157   1.454  -5.595
   83   2HD   ARG  11           HD1      ARG  11  -7.928   3.035  -6.371
   84    HE   ARG  11           HE       ARG  11  -5.574   1.613  -6.890
   85   1HH1  ARG  11          HH11      ARG  11  -8.927   0.931  -7.249
   86   2HH1  ARG  11          HH12      ARG  11  -8.746   0.168  -8.793
   87   1HH2  ARG  11          HH21      ARG  11  -5.334   0.756  -8.981
   88   2HH2  ARG  11          HH22      ARG  11  -6.712   0.069  -9.774
   89    H    LYS  12           HN       LYS  12  -6.015   0.448  -1.281
   90    HA   LYS  12           HA       LYS  12  -7.231   2.695   0.115
   91   1HB   LYS  12           HB2      LYS  12  -8.291   0.918   1.380
   92   2HB   LYS  12           HB1      LYS  12  -8.255   0.413  -0.310
   93   1HG   LYS  12           HG2      LYS  12  -5.793  -0.398   0.851
   94   2HG   LYS  12           HG1      LYS  12  -7.075  -0.888   1.959
   95   1HD   LYS  12           HD2      LYS  12  -6.934  -1.514  -1.005
   96   2HD   LYS  12           HD1      LYS  12  -6.695  -2.659   0.315
   97   1HE   LYS  12           HE2      LYS  12  -8.960  -2.694   0.876
   98   2HE   LYS  12           HE1      LYS  12  -9.255  -1.082   0.195
   99   1HZ   LYS  12           HZ1      LYS  12  -8.399  -2.290  -1.968
  100   2HZ   LYS  12           HZ2      LYS  12 -10.035  -2.345  -1.514
  101   3HZ   LYS  12           HZ3      LYS  12  -9.012  -3.658  -1.174
  102    H    ARG  13           HN       ARG  13  -6.860   2.778   2.590
  103    HA   ARG  13           HA       ARG  13  -5.211   3.379   4.216
  104   1HB   ARG  13           HB2      ARG  13  -4.215   1.280   5.066
  105   2HB   ARG  13           HB1      ARG  13  -5.903   1.033   4.623
  106   1HG   ARG  13           HG2      ARG  13  -5.305  -0.040   2.575
  107   2HG   ARG  13           HG1      ARG  13  -3.621   0.459   2.726
  108   1HD   ARG  13           HD2      ARG  13  -4.067  -0.913   5.099
  109   2HD   ARG  13           HD1      ARG  13  -4.969  -1.863   3.900
  110    HE   ARG  13           HE       ARG  13  -2.141  -1.030   3.384
  111   1HH1  ARG  13          HH11      ARG  13  -4.689  -2.960   2.382
  112   2HH1  ARG  13          HH12      ARG  13  -3.758  -4.411   2.209
  113   1HH2  ARG  13          HH21      ARG  13  -0.913  -3.076   3.674
  114   2HH2  ARG  13          HH22      ARG  13  -1.621  -4.476   2.940
  115    H    ARG  14           HN       ARG  14  -4.241   4.437   1.899
  116    HA   ARG  14           HA       ARG  14  -1.793   3.410   0.902
  117   1HB   ARG  14           HB2      ARG  14  -3.510   5.533   0.446
  118   2HB   ARG  14           HB1      ARG  14  -2.036   6.328   1.002
  119   1HG   ARG  14           HG2      ARG  14  -2.098   4.225  -1.180
  120   2HG   ARG  14           HG1      ARG  14  -2.109   5.962  -1.487
  121   1HD   ARG  14           HD2      ARG  14   0.164   5.831  -1.445
  122   2HD   ARG  14           HD1      ARG  14   0.008   5.612   0.310
  123    HE   ARG  14           HE       ARG  14  -0.506   3.103  -0.913
  124   1HH1  ARG  14          HH21      ARG  14   2.028   5.219  -1.591
  125   2HH1  ARG  14          HH22      ARG  14   3.291   4.113  -1.165
  126   1HH2  ARG  14          HH11      ARG  14   1.130   1.725   0.119
  127   2HH2  ARG  14          HH12      ARG  14   2.783   2.136  -0.196
  128    H    LYS  15           HN       LYS  15  -1.227   2.843   3.414
  129    HA   LYS  15           HA       LYS  15   0.239   3.238   5.222
  130   1HB   LYS  15           HB2      LYS  15   1.584   3.470   2.993
  131   2HB   LYS  15           HB1      LYS  15   1.591   5.193   3.371
  132   1HG   LYS  15           HG2      LYS  15   3.373   4.784   4.693
  133   2HG   LYS  15           HG1      LYS  15   2.259   3.961   5.785
  134   1HD   LYS  15           HD2      LYS  15   3.314   2.455   3.421
  135   2HD   LYS  15           HD1      LYS  15   4.374   2.691   4.811
  136   1HE   LYS  15           HE2      LYS  15   1.554   1.643   5.146
  137   2HE   LYS  15           HE1      LYS  15   2.926   0.560   4.842
  138   1HZ   LYS  15           HZ1      LYS  15   3.080   0.722   7.096
  139   2HZ   LYS  15           HZ2      LYS  15   2.390   2.274   7.155
  140   3HZ   LYS  15           HZ3      LYS  15   4.009   2.079   6.680
  141    H    MET  16           HN       MET  16  -1.232   4.374   6.597
  142    HA   MET  16           HA       MET  16  -2.122   7.012   6.466
  143   1HB   MET  16           HB2      MET  16  -1.688   4.934   8.458
  144   2HB   MET  16           HB1      MET  16  -1.468   6.540   9.155
  145   1HG   MET  16           HG2      MET  16  -3.874   5.688   7.518
  146   2HG   MET  16           HG1      MET  16  -3.836   5.768   9.279
  147   1HE   MET  16           HE1      MET  16  -5.712   8.317   6.888
  148   2HE   MET  16           HE2      MET  16  -4.778   6.918   6.365
  149   3HE   MET  16           HE3      MET  16  -4.194   8.540   6.006
  150    H    SER  17           HN       SER  17  -1.257   8.782   8.122
  151    HA   SER  17           HA       SER  17   1.445   9.493   7.244
  152   1HB   SER  17           HB2      SER  17  -0.447  11.092   7.458
  153   2HB   SER  17           HB1      SER  17  -0.490  10.790   9.192
  154    HG   SER  17           HG       SER  17   1.015  12.510   7.870
  155    H    ARG  18           HN       ARG  18   1.837   7.198   8.627
  156    HA   ARG  18           HA       ARG  18   3.192   8.118  11.071
  157   1HB   ARG  18           HB2      ARG  18   1.098   5.954  10.831
  158   2HB   ARG  18           HB1      ARG  18   2.209   6.031  12.198
  159   1HG   ARG  18           HG2      ARG  18   0.604   8.450  11.395
  160   2HG   ARG  18           HG1      ARG  18  -0.103   7.204  12.424
  161   1HD   ARG  18           HD2      ARG  18   1.341   7.654  14.196
  162   2HD   ARG  18           HD1      ARG  18   2.606   8.302  13.132
  163    HE   ARG  18           HE       ARG  18   0.022   9.743  13.611
  164   1HH1  ARG  18          HH21      ARG  18   2.843   9.962  11.879
  165   2HH1  ARG  18          HH22      ARG  18   3.328  11.508  12.490
  166   1HH2  ARG  18          HH11      ARG  18   0.892  11.594  14.956
  167   2HH2  ARG  18          HH12      ARG  18   2.224  12.432  14.232
  168    H    GLY  19           HN       GLY  19   5.199   7.721   9.971
  169   1HA   GLY  19           HA2      GLY  19   5.761   5.277   8.563
  170   2HA   GLY  19           HA1      GLY  19   6.973   6.413   9.156
  171    H    LEU  20           HN       LEU  20   4.580   4.213  10.673
  172    HA   LEU  20           HA       LEU  20   6.478   3.616  12.842
  173   1HB   LEU  20           HB2      LEU  20   4.583   2.874  13.916
  174   2HB   LEU  20           HB1      LEU  20   3.791   3.843  12.675
  175    HG   LEU  20           HG       LEU  20   4.370   0.873  12.464
  176   1HD1  LEU  20          HD11      LEU  20   2.350   2.196  13.890
  177   2HD1  LEU  20          HD12      LEU  20   2.363   0.497  13.419
  178   3HD1  LEU  20          HD13      LEU  20   1.584   1.694  12.383
  179   1HD2  LEU  20          HD21      LEU  20   4.283   2.407  10.353
  180   2HD2  LEU  20          HD22      LEU  20   2.553   2.494  10.688
  181   3HD2  LEU  20          HD23      LEU  20   3.312   0.935  10.363