*HEADER    SURFACE ACTIVE PROTEIN                  11-NOV-03   1RG3              
*TITLE     SP-B C-TERMINAL PEPTIDE IN SDS MICELLES                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PULMONARY SURFACTANT-ASSOCIATED PROTEIN B;                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL HELIX;                                          
*COMPND   5 SYNONYM: SP-B, 6 KDA PROTEIN, PULMONARY SURFACTANT-                  
*COMPND   6 ASSOCIATED PROTEOLIPID SPLPHE, 18 KDA PULMONARY-SURFACTANT           
*COMPND   7 PROTEIN;                                                             
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS SYNTHESIZED WITH N15                  
*SOURCE   4 ISOTOPE LABELS ON ALL VALINE AND LEUCINE RESIDUES. THE               
*SOURCE   5 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN HOMO SAPIENS           
*SOURCE   6 (HUMAN).                                                             
*KEYWDS    LUNG, SURFACTANT, SP-B                                                
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    V.BOOTH, A.J.WARING, F.J.WALTHER, K.M.W.KEOUGH                        
*REVDAT   1   28-SEP-04 1RG3    0                                                
--------------------------------------

sds_constraints.tbl?q??????mBIN???}! NOE derived distance restraints
! Sequential 
assign (resid   1 and name  HA#) (resid   2 and name   HN) 2.8 1.0 1.0 ! peak:   22 volume:  411.77 intensity:   53.21 occur:2.0 {?}
assign (resid   1 and name  HA#) (resid   2 and name   HA) 3.4 1.6 1.0 ! peak:   24 volume:   58.37 intensity:    4.71 occur:1.0 {?}
assign (resid   1 and name  HA#) (resid   2 and name  HD#) 5.0 3.2 2.0 ! peak:   25 volume:    9.20 intensity:    1.58 occur:1.0 {?}
assign (resid   1 and name  HA#) (resid   2 and name  HG#) 5.0 3.2 2.0 ! peak:   26 volume:   34.73 intensity:    2.99 occur:1.0 {?}
assign (resid   1 and name  HA#) (resid   2 and name  HB#) 3.4 1.6 2.0 ! peak:   27 volume:  124.63 intensity:   10.56 occur:1.0 {?}
assign (resid   2 and name   HA) (resid   3 and name   HN) 2.8 1.0 0.0 ! peak:   40 volume:  172.81 intensity:   10.68 occur:2.0 {?}
assign (resid   2 and name  HD#) (resid   3 and name   HN) 5.0 3.2 1.0 ! peak:   56 volume:   17.95 intensity:    1.58 occur:2.0 {?}
assign (resid   2 and name   HE) (resid   3 and name   HN) 5.0 3.2 0.0 ! peak:   67 volume:    5.27 intensity:    0.72 occur:1.0 {?}
assign (resid   2 and name   HA) (resid   3 and name  HG#) 5.0 3.2 1.0 ! peak:   98 volume:    3.77 intensity:    1.32 occur:2.0 {?}
assign (resid   2 and name   HA) (resid   3 and name   HA) 5.0 3.2 0.0 ! peak:  451 volume:    6.07 intensity:    1.23 occur:1.0 {?}
assign (resid   3 and name  HG#) (resid   4 and name   HN) 5.0 3.2 1.0 ! peak:   34 volume:    3.63 intensity:    0.56 occur:2.2 {?}
assign (resid   3 and name   HA) (resid   4 and name   HN) 5.0 3.2 0.0 ! peak:   76 volume:   44.17 intensity:    4.30 occur:2.0 {?}
assign (resid   3 and name  HB#) (resid   4 and name   HA) 5.0 3.2 1.0 ! peak:  109 volume:    7.94 intensity:    2.91 occur:2.1 {?}
assign (resid   3 and name  HG#) (resid   4 and name   HA) 5.0 3.2 1.0 ! peak:  457 volume:    5.74 intensity:    0.51 occur:1.0 {?}
assign (resid   3 and name   HN) (resid   4 and name  HB2) 5.0 3.2 0.0 ! peak:  672 volume:   44.02 intensity:    4.62 occur:1.0 {?}
assign (resid   4 and name   HA) (resid   5 and name  HD1) 3.4 1.6 0.0 ! peak:  149 volume:   96.07 intensity:    4.92 occur:2.0 {?}
assign (resid   4 and name   HN) (resid   5 and name  HD1) 2.8 1.0 0.0 ! peak:  152 volume:  242.90 intensity:    6.51 occur:2.0 {?}
assign (resid   4 and name   HA) (resid   5 and name  HD2) 5.0 3.2 0.0 ! peak:  170 volume:  126.75 intensity:    7.09 occur:2.0 {?} !loosened one notch
assign (resid   4 and name   HN) (resid   5 and name  HD2) 2.8 1.0 0.0 ! peak:  171 volume:  267.25 intensity:    7.41 occur:2.0 {?}
assign (resid   4 and name   HA) (resid   5 and name  HG#) 3.4 1.6 1.0 ! peak:  463 volume:  152.91 intensity:    5.71 occur:1.0 {?}
assign (resid   4 and name   HN) (resid   5 and name  HG#) 3.4 1.6 1.0 ! peak:  465 volume:   63.96 intensity:    3.82 occur:1.0 {?}
assign (resid   4 and name HD2#) (resid   5 and name  HD2) 5.0 3.2 1.0 ! peak:  623 volume:    3.25 intensity:    0.26 occur:1.0 {?}
assign (resid   5 and name  HD1) (resid   6 and name   HN) 5.0 3.2 0.0 ! peak:  175 volume:   26.53 intensity:    1.79 occur:2.0 {?}
assign (resid   5 and name  HG#) (resid   6 and name   HN) 2.8 1.0 1.0 ! peak:  464 volume:  263.57 intensity:    4.18 occur:2.0 {?}
assign (resid   5 and name  HD2) (resid   6 and name   HN) 5.0 3.2 0.0 ! peak:  656 volume:    8.88 intensity:    1.19 occur:2.0 {?}
assign (resid   6 and name   HN) (resid   7 and name   HN) 2.8 1.0 0.0 ! peak:   21 volume:  390.97 intensity:    7.32 occur:2.0 {?}
assign (resid   6 and name  HG#) (resid   7 and name   HN) 5.0 3.2 1.0 ! peak:  207 volume:   41.22 intensity:    1.91 occur:3.0 {?}
assign (resid   6 and name  HB#) (resid   7 and name   HN) 3.4 1.6 1.0 ! peak:  209 volume:  109.16 intensity:    6.06 occur:2.0 {?}
assign (resid   7 and name HD##) (resid   8 and name   HA) 5.0 3.2 3.0 ! peak:  492 volume:    5.03 intensity:    0.57 occur:1.0 {?}
assign (resid   7 and name   HA) (resid   8 and name   HN) 3.4 1.6 0.0 ! peak:  500 volume:   60.34 intensity:    7.85 occur:1.0 {?}
assign (resid   8 and name   HN) (resid   9 and name   HN) 2.8 1.0 0.0 ! peak:   19 volume:  321.41 intensity:    7.40 occur:2.0 {?}
assign (resid   8 and name   HA) (resid   9 and name  HB#) 5.0 3.2 1.0 ! peak:  252 volume:    2.08 intensity:    1.06 occur:2.0 {?}
assign (resid   8 and name   HA) (resid   9 and name   HN) 3.4 1.6 0.0 ! peak:  264 volume:  141.13 intensity:    3.39 occur:2.0 {?}
assign (resid   8 and name HG##) (resid   9 and name  HB#) 5.0 3.2 4.0 ! peak:  285 volume:    2.85 intensity:    0.60 occur:2.1 {?}
assign (resid   8 and name HG##) (resid   9 and name   HN) 2.8 1.0 3.0 ! peak:  504 volume:   78.93 intensity:    3.65 occur:2.1 {?}
assign (resid   8 and name   HB) (resid   9 and name   HN) 3.4 1.6 0.0 ! peak:  592 volume:  129.08 intensity:    8.35 occur:1.0 {?}
assign (resid   8 and name   HN) (resid   9 and name  HB#) 5.0 3.2 1.0 ! peak:  666 volume:    9.42 intensity:    1.08 occur:2.0 {?}
assign (resid   9 and name   HN) (resid  10 and name   HN) 2.8 1.0 0.0 ! peak:  266 volume:  277.69 intensity:    9.71 occur:1.0 {?}
assign (resid   9 and name  HB#) (resid  10 and name  HG#) 5.0 3.2 2.0 ! peak:  280 volume:    3.16 intensity:    1.11 occur:1.0 {?}
assign (resid   9 and name  HB#) (resid  10 and name   HN) 2.8 1.0 1.0 ! peak:  295 volume:  239.54 intensity:    5.38 occur:3.0 {?}
assign (resid   9 and name  HB#) (resid  10 and name  HB#) 5.0 3.2 2.0 ! peak:  604 volume:   19.46 intensity:    0.88 occur:3.0 {?}
assign (resid  10 and name   HN) (resid  11 and name   HN) 2.8 1.0 0.0 ! peak:   10 volume:  262.29 intensity:   11.20 occur:2.0 {?}
assign (resid  10 and name  HD#) (resid  11 and name   HN) 5.0 3.2 1.0 ! peak:  314 volume:    6.38 intensity:    1.20 occur:2.0 {?}
assign (resid  10 and name  HB#) (resid  11 and name   HN) 2.8 1.0 1.0 ! peak:  315 volume:  233.26 intensity:   10.84 occur:2.0 {?}
assign (resid  10 and name   HE) (resid  11 and name   HN) 5.0 3.2 0.0 ! peak:  617 volume:    1.00 intensity:    0.49 occur:1.0 {?}
assign (resid  10 and name   HA) (resid  11 and name   HN) 3.4 1.6 0.0 ! peak:  620 volume:   66.34 intensity:   15.48 occur:2.0 {?}
assign (resid  11 and name   HN) (resid  12 and name   HA) 5.0 3.2 0.0 ! peak:    7 volume:   14.57 intensity:    1.77 occur:2.0 {?}
assign (resid  11 and name   HN) (resid  12 and name   HN) 2.8 1.0 0.0 ! peak:    9 volume:  276.31 intensity:   10.27 occur:2.0 {?}
assign (resid  11 and name   HA) (resid  12 and name   HA) 5.0 3.2 0.0 ! peak:  573 volume:    9.82 intensity:    2.07 occur:1.0 {?}
assign (resid  11 and name   HA) (resid  12 and name   HN) 3.4 1.6 0.0 ! peak:  600 volume:  185.12 intensity:    6.87 occur:2.0 {?} !loosened one notch
assign (resid  11 and name   HN) (resid  12 and name HG##) 5.0 3.2 3.0 ! peak:  628 volume:    9.73 intensity:    0.90 occur:1.1 {?}
assign (resid  11 and name  HB#) (resid  12 and name   HN) 3.4 1.6 1.0 ! peak:  683 volume:  132.06 intensity:    5.78 occur:2.0 {?}
assign (resid  12 and name   HN) (resid  13 and name   HA) 5.0 3.2 0.0 ! peak:  359 volume:   25.86 intensity:    1.51 occur:2.0 {?}
assign (resid  12 and name   HA) (resid  13 and name   HN) 3.4 1.6 0.0 ! peak:  531 volume:  238.19 intensity:    8.56 occur:2.0 {?} !loosened one notch
assign (resid  12 and name   HN) (resid  13 and name   HN) 2.8 1.0 0.0 ! peak:  552 volume:  181.17 intensity:    7.89 occur:1.0 {?}
assign (resid  12 and name   HA) (resid  13 and name   HA) 5.0 3.2 0.0 ! peak:  571 volume:   18.82 intensity:    2.61 occur:1.0 {?}
assign (resid  12 and name   HB) (resid  13 and name   HN) 2.8 1.0 0.0 ! peak:  591 volume:  319.76 intensity:    7.92 occur:2.0 {?}
assign (resid  12 and name HG##) (resid  13 and name   HA) 5.0 3.2 3.0 ! peak:  632 volume:    6.25 intensity:    0.74 occur:1.0 {?}
assign (resid  14 and name   HA) (resid  15 and name   HN) 3.4 1.6 0.0 ! peak:  402 volume:   90.40 intensity:   14.02 occur:2.0 {?}
assign (resid  14 and name   HN) (resid  15 and name   HN) 3.4 1.6 0.0 ! peak:  416 volume:   63.76 intensity:   21.59 occur:1.0 {?}
assign (resid  14 and name  HD#) (resid  15 and name   HA) 5.0 3.2 1.0 ! peak:  692 volume:    7.17 intensity:    0.63 occur:1.0 {?}
assign (resid  15 and name   HN) (resid  16 and name   HN) 2.8 1.0 0.0 ! peak:   17 volume:  301.03 intensity:   18.80 occur:2.0 {?}
assign (resid  15 and name   HA) (resid  16 and name   HN) 3.4 1.6 0.0 ! peak:  383 volume:  109.47 intensity:    8.06 occur:1.0 {?}
assign (resid  15 and name  HB2) (resid  16 and name   HN) 5.0 3.2 0.0 ! peak:  384 volume:   41.42 intensity:    2.31 occur:2.0 {?}
assign (resid  15 and name  HB1) (resid  16 and name   HN) 3.4 1.6 0.0 ! peak:  385 volume:   62.43 intensity:    3.14 occur:2.0 {?}
assign (resid  15 and name   HN) (resid  16 and name  HB#) 5.0 3.2 1.0 ! peak:  395 volume:   34.67 intensity:    2.13 occur:2.1 {?}
assign (resid  15 and name  HB2) (resid  16 and name  HB#) 5.0 3.2 1.0 ! peak:  526 volume:    4.19 intensity:    0.37 occur:1.0 {?}
assign (resid  15 and name  HB1) (resid  16 and name  HB#) 5.0 3.2 1.0 ! peak:  527 volume:    7.64 intensity:    0.85 occur:2.0 {?}
assign (resid  15 and name  HB2) (resid  16 and name   HA) 5.0 3.2 0.0 ! peak:  694 volume:    1.51 intensity:    0.27 occur:1.0 {?}
! Medium 
assign (resid   1 and name  HA#) (resid   3 and name  HG#) 5.0 3.2 2.0 ! peak:  643 volume:    5.50 intensity:    1.31 occur:1.0 {?}
assign (resid   1 and name  HA#) (resid   3 and name  HB#) 5.0 3.2 2.0 ! peak:  644 volume:    2.97 intensity:    1.15 occur:1.0 {?}
assign (resid   1 and name  HA#) (resid   5 and name  HD2) 3.4 1.6 1.0 ! peak:  645 volume:   53.48 intensity:    6.40 occur:1.0 {?}
assign (resid   2 and name  HD#) (resid   5 and name  HB#) 5.0 3.2 2.0 ! peak:   61 volume:    3.41 intensity:    1.18 occur:1.0 {?}
assign (resid   2 and name   HA) (resid   5 and name  HD2) 5.0 3.2 0.0 ! peak:  466 volume:   17.23 intensity:    1.15 occur:1.0 {?}
assign (resid   2 and name   HA) (resid   5 and name  HD1) 5.0 3.2 0.0 ! peak:  469 volume:   16.26 intensity:    1.62 occur:1.0 {?}
assign (resid   2 and name   HE) (resid   5 and name  HD2) 5.0 3.2 0.0 ! peak:  657 volume:    6.10 intensity:    0.40 occur:1.0 {careful}
assign (resid   3 and name  HG#) (resid   6 and name  HB#) 5.0 3.2 2.0 ! peak:  100 volume:   21.32 intensity:    1.42 occur:1.0 {?}
assign (resid   3 and name   HA) (resid   5 and name  HD1) 5.0 3.2 0.0 ! peak:  148 volume:   37.78 intensity:    1.76 occur:2.0 {?}
assign (resid   3 and name   HN) (resid   5 and name  HD1) 5.0 3.2 0.0 ! peak:  153 volume:   43.88 intensity:    2.20 occur:1.0 {?}
assign (resid   3 and name   HN) (resid   5 and name  HD2) 5.0 3.2 0.0 ! peak:  172 volume:   16.97 intensity:    2.10 occur:1.0 {?}
assign (resid   3 and name   HA) (resid   5 and name  HD2) 5.0 3.2 0.0 ! peak:  467 volume:    8.99 intensity:    1.48 occur:1.0 {?}
assign (resid   3 and name   HA) (resid   6 and name   HN) 5.0 3.2 0.0 ! peak:  471 volume:   19.82 intensity:    1.44 occur:2.0 {?}
assign (resid   3 and name   HA) (resid   6 and name  HB#) 5.0 3.2 1.0 ! peak:  481 volume:   26.07 intensity:    4.36 occur:2.0 {?}
assign (resid   3 and name   HA) (resid   6 and name  HG#) 5.0 3.2 1.0 ! peak:  484 volume:   17.03 intensity:    2.45 occur:1.0 {?}
assign (resid   3 and name   HA) (resid   7 and name   HN) 5.0 3.2 0.0 ! peak:  486 volume:   16.09 intensity:    1.76 occur:2.0 {?}
assign (resid   4 and name   HA) (resid   7 and name   HA) 5.0 3.2 0.0 ! peak:  117 volume:    2.78 intensity:    0.75 occur:1.1 {?}
assign (resid   4 and name   HA) (resid   7 and name   HN) 3.4 1.6 0.0 ! peak:  206 volume:  109.08 intensity:    5.78 occur:2.0 {?}
assign (resid   4 and name   HA) (resid   6 and name  HB#) 5.0 3.2 1.0 ! peak:  456 volume:    5.88 intensity:    0.66 occur:1.0 {?}
assign (resid   4 and name   HN) (resid   7 and name   HA) 5.0 3.2 0.0 ! peak:  662 volume:    8.73 intensity:    0.81 occur:1.0 {?}
assign (resid   4 and name   HA) (resid   8 and name HG##) 5.0 3.2 3.0 ! peak:  688 volume:    1.71 intensity:    0.29 occur:1.0 {?}
assign (resid   6 and name  HG#) (resid   9 and name  HB#) 5.0 3.2 2.0 ! peak:  277 volume:   13.29 intensity:    1.40 occur:2.0 {?}
assign (resid   6 and name   HN) (resid   9 and name  HB#) 5.0 3.2 1.0 ! peak:  474 volume:    0.64 intensity:    0.32 occur:2.0 {?}
assign (resid   6 and name  HB#) (resid   9 and name   HN) 5.0 3.2 1.0 ! peak:  479 volume:    1.04 intensity:    0.39 occur:1.0 {?}
assign (resid   6 and name  HG#) (resid   9 and name   HN) 5.0 3.2 1.0 ! peak:  641 volume:    2.96 intensity:    1.04 occur:1.0 {?}
assign (resid   6 and name   HN) (resid   8 and name HG##) 5.0 3.2 3.0 ! peak:  659 volume:    2.13 intensity:    0.21 occur:1.1 {?}
assign (resid   6 and name  HB#) (resid  10 and name  HD#) 5.0 3.2 2.0 ! peak:  663 volume:    2.55 intensity:    0.47 occur:1.0 {careful}
assign (resid   6 and name  HG#) (resid  10 and name   HN) 5.0 3.2 1.0 ! peak:  671 volume:    5.43 intensity:    0.50 occur:1.0 {?}
assign (resid   6 and name  HG#) (resid  10 and name  HD#) 5.0 3.2 2.0 ! peak:  675 volume:    2.62 intensity:    0.62 occur:2.0 {?}
assign (resid   6 and name  HG#) (resid  10 and name   HE) 5.0 3.2 1.0 ! peak:  676 volume:    1.28 intensity:    0.50 occur:1.0 {?}
assign (resid   7 and name   HN) (resid  10 and name   HN) 5.0 3.2 0.0 ! peak:  216 volume:   10.77 intensity:    3.56 occur:1.0 {?}
assign (resid   7 and name   HN) (resid   9 and name  HB#) 5.0 3.2 1.0 ! peak:  489 volume:   13.76 intensity:    1.15 occur:1.0 {?}
assign (resid   7 and name   HN) (resid   9 and name   HN) 5.0 3.2 0.0 ! peak:  490 volume:   21.48 intensity:    7.20 occur:1.0 {?}
assign (resid   7 and name   HN) (resid  10 and name  HB#) 5.0 3.2 1.0 ! peak:  508 volume:   30.13 intensity:    2.61 occur:1.0 {?}
assign (resid   7 and name   HN) (resid  10 and name  HD#) 5.0 3.2 1.0 ! peak:  665 volume:    4.93 intensity:    0.53 occur:1.0 {?}
assign (resid   8 and name   HA) (resid  11 and name   HN) 3.4 1.6 0.0 ! peak:    8 volume:  115.51 intensity:    5.56 occur:2.0 {?}
assign (resid   8 and name   HN) (resid  10 and name   HN) 3.4 1.6 0.0 ! peak:   15 volume:   64.35 intensity:    3.20 occur:2.0 {?}
assign (resid   8 and name   HA) (resid  12 and name   HN) 5.0 3.2 0.0 ! peak:  244 volume:   50.10 intensity:    2.21 occur:2.0 {?}
assign (resid   9 and name   HA) (resid  12 and name   HN) 3.4 1.6 0.0 ! peak:  339 volume:  103.16 intensity:    5.27 occur:1.1 {?}
assign (resid   9 and name  HB#) (resid  12 and name   HN) 5.0 3.2 1.0 ! peak:  670 volume:    0.33 intensity:    0.33 occur:2.0 {?}
assign (resid  10 and name  HG#) (resid  13 and name   HA) 2.8 1.0 1.0 ! peak:  553 volume:  378.27 intensity:   17.91 occur:1.0 {?}
assign (resid  10 and name  HG#) (resid  12 and name   HA) 5.0 3.2 1.0 ! peak:  578 volume:   75.41 intensity:    7.21 occur:1.0 {?} !loosened on notch
assign (resid  11 and name   HN) (resid  14 and name   HA) 5.0 3.2 0.0 ! peak:  427 volume:   16.26 intensity:    1.41 occur:1.0 {?}
assign (resid  11 and name HD##) (resid  16 and name   HN) 5.0 3.2 3.0 ! peak:  517 volume:    5.45 intensity:    0.92 occur:1.0 {?}
assign (resid  11 and name   HN) (resid  13 and name   HN) 5.0 3.2 0.0 ! peak:  597 volume:   45.98 intensity:    9.62 occur:2.0 {?}
assign (resid  11 and name   HA) (resid  14 and name  HB#) 2.8 1.0 1.0 ! peak:  598 volume:  196.69 intensity:   18.23 occur:1.0 {careful}
assign (resid  11 and name   HA) (resid  14 and name  HD#) 5.0 3.2 1.0 ! peak:  681 volume:    5.74 intensity:    1.93 occur:2.0 {?}
assign (resid  12 and name   HA) (resid  16 and name   HN) 5.0 3.2 0.0 ! peak:  381 volume:   20.81 intensity:    1.25 occur:2.0 {?}
assign (resid  12 and name HG##) (resid  16 and name  HB#) 5.0 3.2 4.0 ! peak:  391 volume:    4.77 intensity:    0.63 occur:2.2 {?}
assign (resid  12 and name   HN) (resid  14 and name   HN) 5.0 3.2 0.0 ! peak:  417 volume:   15.93 intensity:    0.87 occur:1.1 {?}
assign (resid  12 and name HG##) (resid  16 and name   HN) 5.0 3.2 3.0 ! peak:  518 volume:    3.07 intensity:    0.42 occur:1.0 {?}
assign (resid  12 and name   HA) (resid  15 and name  HB2) 5.0 3.2 0.0 ! peak:  575 volume:   10.28 intensity:    1.47 occur:2.0 {?}
assign (resid  12 and name   HA) (resid  15 and name  HB1) 5.0 3.2 0.0 ! peak:  576 volume:   21.50 intensity:    2.91 occur:2.0 {?}
assign (resid  13 and name  HB#) (resid  16 and name   HA) 2.8 1.0 1.0 ! peak:  112 volume:  210.43 intensity:   11.98 occur:1.0 {?}
assign (resid  13 and name   HA) (resid  16 and name   HN) 5.0 3.2 0.0 ! peak:  382 volume:   35.07 intensity:    3.99 occur:2.0 {?}
assign (resid  13 and name   HA) (resid  16 and name  HB#) 3.4 1.6 1.0 ! peak:  390 volume:   66.69 intensity:    7.05 occur:2.0 {?}
assign (resid  13 and name  HB#) (resid  16 and name   HN) 5.0 3.2 1.0 ! peak:  519 volume:    7.64 intensity:    0.84 occur:1.0 {?}
assign (resid  14 and name   HN) (resid  16 and name   HN) 3.4 1.6 0.0 ! peak:   16 volume:  108.00 intensity:    6.05 occur:1.0 {?}
assign (resid  14 and name  HB#) (resid  16 and name   HN) 5.0 3.2 1.0 ! peak:  386 volume:   15.71 intensity:    0.88 occur:1.0 {?}
assign (resid  14 and name  HG#) (resid  16 and name   HN) 5.0 3.2 1.0 ! peak:  387 volume:   36.43 intensity:    1.40 occur:1.0 {?}
assign (resid  14 and name   HA) (resid  16 and name   HN) 5.0 3.2 0.0 ! peak:  514 volume:    3.85 intensity:    3.85 occur:2.0 {?}
! Ambiguous (these were added only in the refinement stage :  initially a large set of structures that fulfilled the unambiguous restranints
!            and widely sampled conformational space were generated, then a subset of these structures were choosen that also fulfilled the 
!            ambiguous restraints, then these structures were refined using the ambiguous restraints as follows)
assign (resid   2 and name  HB#) (resid   3 and name   HN) 5.0 3.2 2.0 ! peak:    1 volume:    5.81 intensity:    1.35 {?}
    OR (resid   3 and name   HN) (resid   4 and name  HB2)
    OR (resid   3 and name   HN) (resid   7 and name  HB#)
assign (resid   2 and name   HN) (resid   3 and name   HN) 5.0 3.2 0.0 ! peak:    6 volume:   16.86 intensity:    5.62  {?}
    OR (resid   4 and name   HN) (resid   3 and name   HN)
assign (resid   2 and name  HB#) (resid   3 and name  HG#) 3.4 1.6 3.0 ! peak:   93 volume:   75.49 intensity:    2.70  {?}
    OR (resid   3 and name  HG#) (resid   4 and name  HB1)
assign (resid   2 and name  HB#) (resid   3 and name  HG#) 5.0 3.2 3.0 ! peak:  103 volume:   11.17 intensity:    1.38  {?}
    OR (resid   3 and name  HG#) (resid   4 and name  HB1)
assign (resid   2 and name   HA) (resid   3 and name  HB#) 3.4 1.6 3.0 ! peak:  589 volume:  122.23 intensity:    3.72 {?}
    OR (resid   5 and name  HB#) (resid   2 and name   HA)
    OR (resid   6 and name  HB#) (resid   2 and name   HA)
assign (resid   3 and name   HN) (resid   4 and name   HN) 3.4 1.6 0.0 ! peak:    5 volume:  117.85 intensity:    4.02  {?}
    OR (resid   3 and name   HN) (resid   2 and name   HN)
assign (resid   3 and name   HA) (resid   4 and name  HB1) 5.0 3.2 1.0 ! peak:   83 volume:    9.28 intensity:    2.01  {?}
    OR (resid   3 and name   HA) (resid   7 and name  HB#)
assign (resid   3 and name  HG#) (resid   4 and name HD1#) 5.0 3.2 6.0 ! peak:   92 volume:    7.62 intensity:    0.44  {?}
    OR (resid   3 and name  HG#) (resid   7 and name HD##)
assign (resid   3 and name  HG#) (resid   4 and name HD1#) 5.0 3.2 6.0 ! peak:  104 volume:    3.50 intensity:    0.37  {?}
    OR (resid   3 and name  HG#) (resid   7 and name HD##)
assign (resid   3 and name  HB#) (resid   5 and name  HD1) 3.4 1.6 2.0 ! peak:  156 volume:  102.10 intensity:    3.66  {?}
    OR (resid   5 and name  HD1) (resid   2 and name  HG#)
assign (resid   3 and name  HB#) (resid   5 and name  HD2) 5.0 3.2 2.0 ! peak:  164 volume:   44.82 intensity:    3.07  {?}
    OR (resid   5 and name  HD2) (resid   2 and name  HG#)
assign (resid   3 and name  HB#) (resid   4 and name   HN) 2.8 1.0 4.0 ! peak:  595 volume:  243.23 intensity:    7.93 {?}
    OR (resid   5 and name  HB#) (resid   4 and name   HN)
    OR (resid   3 and name  HB#) (resid   2 and name   HN)
    OR (resid   6 and name  HB#) (resid   4 and name   HN)
assign (resid   3 and name  HB#) (resid   4 and name   HN) 5.0 3.2 2.0 ! peak:  634 volume:   46.73 intensity:    2.52  {?}
    OR (resid   2 and name   HN) (resid   3 and name  HB#)
assign (resid   3 and name  HG#) (resid   4 and name  HB2) 5.0 3.2 3.0 ! peak:  650 volume:    1.40 intensity:    0.18  {?}
    OR (resid   3 and name  HG#) (resid   7 and name  HB#)
assign (resid   4 and name   HA) (resid   8 and name HG##) 5.0 3.2 6.0 ! peak:  113 volume:    1.52 intensity:    0.52  {?}
    OR (resid  16 and name   HA) (resid  12 and name HG##)
assign (resid   4 and name  HB1) (resid   5 and name  HD1) 3.4 1.6 2.0 ! peak:  158 volume:   70.54 intensity:    7.15 {?}
    OR (resid   5 and name  HD1) (resid   2 and name  HB#)
    OR (resid   5 and name  HD1) (resid   7 and name  HB#)
assign (resid   4 and name  HB1) (resid   5 and name  HD2) 5.0 3.2 2.0 ! peak:  161 volume:   21.35 intensity:    7.22 {?}
    OR (resid   5 and name  HD2) (resid   2 and name  HB#)
    OR (resid   5 and name  HD2) (resid   7 and name  HB#)
assign (resid   4 and name  HB1) (resid   6 and name   HN) 5.0 3.2 2.0 ! peak:  180 volume:   16.16 intensity:    0.97 {?}
    OR (resid   6 and name   HN) (resid   7 and name  HB#)
    OR (resid   6 and name   HN) (resid   2 and name  HB#)
assign (resid   4 and name   HN) (resid   7 and name   HN) 5.0 3.2 0.0 ! peak:  217 volume:   25.68 intensity:    0.92  {?}
    OR (resid   7 and name   HN) (resid   2 and name   HN)
assign (resid   4 and name  HB2) (resid   6 and name  HG#) 5.0 3.2 5.0 ! peak:  482 volume:    6.16 intensity:    1.38 {?}
    OR (resid   6 and name  HG#) (resid   2 and name  HB#)
    OR (resid   6 and name  HG#) (resid   7 and name  HB#)
assign (resid   4 and name  HB1) (resid   6 and name  HG#) 5.0 3.2 3.0 ! peak:  483 volume:    6.00 intensity:    1.24  {?}
    OR (resid   6 and name  HG#) (resid   7 and name  HB#)
assign (resid   4 and name HD2#) (resid   7 and name   HN) 5.0 3.2 2.0 ! peak:  624 volume:    0.77 intensity:    0.28  {?}
    OR (resid   4 and name HD2#) (resid   8 and name   HN)
assign (resid   4 and name   HN) (resid   7 and name   HN) 5.0 3.2 0.0 ! peak:  652 volume:    1.67 intensity:    0.41 {?}
    OR (resid   4 and name   HN) (resid   8 and name   HN)
    OR (resid   2 and name   HN) (resid   7 and name   HN)
    OR (resid   2 and name   HN) (resid   8 and name   HN)
assign (resid   5 and name  HB#) (resid   7 and name   HN) 5.0 3.2 2.0 ! peak:  593 volume:   30.96 intensity:   10.30 {?}
    OR (resid   6 and name  HB#) (resid   7 and name   HN)
    OR (resid   8 and name   HB) (resid   7 and name   HN)
assign (resid   6 and name   HA) (resid   8 and name   HA) 5.0 3.2 0.0 ! peak:  134 volume:   40.28 intensity:    3.60  {?}
    OR (resid  11 and name   HA) (resid   8 and name   HA)
assign (resid   6 and name   HA) (resid   8 and name   HA) 5.0 3.2 0.0 ! peak:  248 volume:   34.18 intensity:    2.76 {?}
    OR (resid   8 and name   HA) (resid   7 and name   HA)
    OR (resid   8 and name   HA) (resid   9 and name   HA)
    OR (resid   8 and name   HA) (resid   5 and name   HA)
assign (resid   7 and name  HB#) (resid   9 and name  HB#) 5.0 3.2 8.0 ! peak:  281 volume:    6.90 intensity:    0.57 {?}
    OR (resid   9 and name  HB#) (resid  11 and name  HB#)
    OR (resid   9 and name  HB#) (resid  10 and name  HG#)
    OR (resid   9 and name  HB#) (resid   5 and name  HG#)
assign (resid   7 and name  HB#) (resid   9 and name  HB#) 5.0 3.2 8.0 ! peak:  293 volume:    3.30 intensity:    0.58 {?}
    OR (resid   9 and name  HB#) (resid  11 and name  HB#)
    OR (resid   9 and name  HB#) (resid  10 and name  HG#)
    OR (resid   9 and name  HB#) (resid   5 and name  HG#)
assign (resid   7 and name HD##) (resid   9 and name  HB#) 5.0 3.2 12.0 ! peak:  506 volume:    0.93 intensity:    0.14 {?}
    OR (resid   9 and name  HB#) (resid  11 and name HD##)
    OR (resid   9 and name  HB#) (resid   8 and name HG##)
assign (resid   8 and name   HB) (resid  10 and name   HE) 5.0 3.2 1.0 ! peak:   65 volume:    9.43 intensity:    0.40 {?}
    OR (resid  14 and name   HE) (resid  12 and name   HB)
    OR (resid  10 and name   HE) (resid  12 and name   HB)
    OR (resid  10 and name   HE) (resid   6 and name  HB#)
assign (resid   8 and name   HA) (resid  10 and name   HN) 5.0 3.2 0.0 ! peak:  247 volume:    7.94 intensity:    1.07 {?}
    OR (resid   8 and name   HA) (resid  13 and name   HN)
    OR (resid   8 and name   HA) (resid  14 and name   HN)
assign (resid   8 and name   HB) (resid   9 and name   HN) 2.8 1.0 2.0 ! peak:  265 volume:  444.51 intensity:   10.19 {?}
    OR (resid   9 and name   HN) (resid   5 and name  HB#)
    OR (resid   9 and name   HN) (resid   6 and name  HB#)
assign (resid   8 and name   HB) (resid   9 and name  HB#) 5.0 3.2 6.0 ! peak:  278 volume:   28.18 intensity:    1.96 {?}
    OR (resid   9 and name  HB#) (resid  12 and name   HB)
    OR (resid   9 and name  HB#) (resid   5 and name  HB#)
    OR (resid   9 and name  HB#) (resid   6 and name  HB#)
assign (resid   8 and name   HB) (resid   9 and name  HB#) 5.0 3.2 6.0 ! peak:  291 volume:    8.83 intensity:    1.98 {?}
    OR (resid   9 and name  HB#) (resid   5 and name  HB#)
    OR (resid   9 and name  HB#) (resid  12 and name   HB)
    OR (resid   9 and name  HB#) (resid   6 and name  HB#)
assign (resid   8 and name   HA) (resid  10 and name   HA) 5.0 3.2 0.0 ! peak:  501 volume:   20.76 intensity:    2.48 {?}
    OR (resid   8 and name   HA) (resid   9 and name   HA)
    OR (resid   8 and name   HA) (resid   7 and name   HA)
    OR (resid   8 and name   HA) (resid   5 and name   HA)
assign (resid   8 and name   HA) (resid  10 and name   HN) 5.0 3.2 0.0 ! peak:  543 volume:    9.34 intensity:    1.38  {?}
    OR (resid  14 and name   HN) (resid   8 and name   HA)
assign (resid   8 and name   HB) (resid   9 and name  HB#) 5.0 3.2 6.0 ! peak:  586 volume:   29.34 intensity:    1.83 {?}
    OR (resid   5 and name  HB#) (resid   9 and name  HB#)
    OR (resid  12 and name   HB) (resid   9 and name  HB#)
    OR (resid   6 and name  HB#) (resid   9 and name  HB#)
assign (resid   8 and name   HB) (resid   9 and name  HB#) 5.0 3.2 6.0 ! peak:  587 volume:   26.43 intensity:    1.73 {?}
    OR (resid  12 and name   HB) (resid   9 and name  HB#)
    OR (resid   5 and name  HB#) (resid   9 and name  HB#)
    OR (resid   6 and name  HB#) (resid   9 and name  HB#)
assign (resid   8 and name   HB) (resid  10 and name  HD#) 5.0 3.2 2.0 ! peak:  608 volume:    2.60 intensity:    0.87  {?}
    OR (resid  14 and name  HD#) (resid  12 and name   HB)
assign (resid   8 and name   HB) (resid   9 and name  HB#) 5.0 3.2 4.0 ! peak:  622 volume:    4.29 intensity:    0.89 {?}
    OR (resid   9 and name  HB#) (resid   6 and name  HB#)
    OR (resid   9 and name  HB#) (resid  12 and name   HB)
assign (resid   8 and name   HN) (resid  10 and name  HD#) 5.0 3.2 4.0 ! peak:  673 volume:    0.49 intensity:    0.49 {?}
    OR (resid  10 and name  HD#) (resid   7 and name   HN)
    OR (resid  14 and name  HD#) (resid   8 and name   HN)
    OR (resid  14 and name  HD#) (resid   7 and name   HN)
assign (resid   9 and name  HB#) (resid  12 and name   HN) 5.0 3.2 2.0 ! peak:  562 volume:    2.21 intensity:    0.35  {?}
    OR (resid  12 and name   HN) (resid  15 and name  HB#)
assign (resid   9 and name  HB#) (resid  12 and name   HN) 5.0 3.2 2.0 ! peak:  563 volume:    1.80 intensity:    0.34  {?}
    OR (resid  12 and name   HN) (resid  15 and name  HB#)
assign (resid  10 and name  HG#) (resid  12 and name   HN) 5.0 3.2 3.0 ! peak:  343 volume:   27.21 intensity:    3.48 {?}
    OR (resid  12 and name   HN) (resid  14 and name  HG#)
    OR (resid  12 and name   HN) (resid  13 and name  HB#)
assign (resid  10 and name   HA) (resid  13 and name  HB#) 3.4 1.6 2.0 ! peak:  557 volume:   62.56 intensity:    6.65  {?}
    OR (resid  13 and name  HB#) (resid   9 and name   HA)
assign (resid  10 and name  HB#) (resid  12 and name   HN) 5.0 3.2 2.0 ! peak:  560 volume:    2.27 intensity:    0.78  {?}
    OR (resid  12 and name   HN) (resid  14 and name  HB#)
assign (resid  10 and name  HB#) (resid  12 and name   HN) 5.0 3.2 2.0 ! peak:  561 volume:    3.76 intensity:    1.29  {?}
    OR (resid  12 and name   HN) (resid  14 and name  HB#)
assign (resid  10 and name   HA) (resid  12 and name   HA) 5.0 3.2 0.0 ! peak:  572 volume:   12.10 intensity:    2.54  {?}
    OR (resid  12 and name   HA) (resid  11 and name   HA)
assign (resid  10 and name   HA) (resid  12 and name HG##) 5.0 3.2 6.0 ! peak:  631 volume:    7.43 intensity:    0.88  {?}
    OR (resid  12 and name HG##) (resid   9 and name   HA)
assign (resid  10 and name   HA) (resid  12 and name HG##) 3.4 1.6 12.0 ! peak:  668 volume:    7.24 intensity:    1.01 {?}
    OR (resid   9 and name   HA) (resid   8 and name HG##)
    OR (resid  10 and name   HA) (resid   8 and name HG##)
    OR (resid   9 and name   HA) (resid  12 and name HG##)
assign (resid  11 and name  HB#) (resid  12 and name   HN) 5.0 3.2 2.0 ! peak:  342 volume:   42.38 intensity:    6.00  {?}
    OR (resid  12 and name   HN) (resid  10 and name  HG#)
assign (resid  11 and name   HN) (resid  12 and name   HB) 5.0 3.2 1.0 ! peak:  509 volume:   35.69 intensity:    7.88 {?}
    OR (resid  11 and name   HN) (resid   8 and name   HB)
    OR (resid  11 and name   HN) (resid   6 and name  HB#)
assign (resid  11 and name  HB#) (resid  13 and name   HN) 3.4 1.6 3.0 ! peak:  535 volume:   88.47 intensity:   15.15 {?}
    OR (resid  15 and name   HN) (resid  11 and name  HB#)
    OR (resid  13 and name   HN) (resid  10 and name  HG#)
assign (resid  11 and name   HA) (resid  13 and name   HN) 2.8 1.0 0.0 ! peak:  601 volume:  369.21 intensity:   12.22  {?}
    OR (resid  11 and name   HA) (resid  14 and name   HN)
assign (resid  12 and name   HN) (resid  13 and name   HN) 2.8 1.0 0.0 ! peak:   12 volume:  293.74 intensity:    6.80  {?}
    OR (resid  12 and name   HN) (resid  14 and name   HN)
assign (resid  12 and name HG##) (resid  14 and name   HA) 2.8 1.0 9.0 ! peak:  434 volume:   20.09 intensity:    0.93 {?}
    OR (resid  14 and name   HA) (resid  13 and name HD##)
    OR (resid  14 and name   HA) (resid  11 and name HD##)
assign (resid  12 and name HG##) (resid  16 and name   HN) 5.0 3.2 9.0 ! peak:  516 volume:    0.67 intensity:    0.25 {?}
    OR (resid  16 and name   HN) (resid  13 and name HD##)
    OR (resid  16 and name   HN) (resid  11 and name HD##)
assign (resid  12 and name HG##) (resid  13 and name   HN) 3.4 1.6 6.0 ! peak:  536 volume:   13.77 intensity:    1.68  {?}
    OR (resid  15 and name   HN) (resid  12 and name HG##)
assign (resid  12 and name   HA) (resid  13 and name HD##) 3.4 1.6 6.0 ! peak:  581 volume:   39.33 intensity:    3.13  {?}
    OR (resid  12 and name   HA) (resid  11 and name HD##)
assign (resid  12 and name HG##) (resid  14 and name  HD#) 2.8 1.0 16.0 ! peak:  607 volume:   18.44 intensity:    0.51 {?}
    OR (resid  14 and name  HD#) (resid  13 and name HD##)
    OR (resid  10 and name  HD#) (resid  11 and name HD##)
    OR (resid  10 and name  HD#) (resid   7 and name HD##)
assign (resid  12 and name HG##) (resid  13 and name   HN) 5.0 3.2 9.0 ! peak:  630 volume:    3.73 intensity:    0.22 {?}
    OR (resid  12 and name HG##) (resid  14 and name   HN)
    OR (resid  12 and name HG##) (resid  15 and name   HN)
assign (resid  13 and name   HN) (resid  14 and name  HD#) 5.0 3.2 2.0 ! peak:  400 volume:   45.43 intensity:    1.88  {?}
    OR (resid  15 and name   HN) (resid  14 and name  HD#)
assign (resid  13 and name   HN) (resid  14 and name  HD#) 5.0 3.2 2.0 ! peak:  401 volume:   14.68 intensity:    0.95  {?}
    OR (resid  15 and name   HN) (resid  14 and name  HD#)
assign (resid  13 and name  HB#) (resid  14 and name   HN) 3.4 1.6 3.0 ! peak:  422 volume:   85.73 intensity:    9.51 {?}
    OR (resid  14 and name   HN) (resid  11 and name  HB#)
    OR (resid  10 and name   HN) (resid  13 and name  HB#)
assign (resid  13 and name HD##) (resid  14 and name   HE) 5.0 3.2 10.0 ! peak:  613 volume:    1.71 intensity:    0.24 {?}
    OR (resid  10 and name   HE) (resid  11 and name HD##)
    OR (resid  14 and name   HE) (resid  12 and name HG##)
    OR (resid   2 and name   HE) (resid   4 and name HD1#)
assign (resid  13 and name HD##) (resid  14 and name  HD#) 5.0 3.2 12.0 ! peak:  690 volume:    2.35 intensity:    0.18 {?}
    OR (resid  14 and name  HD#) (resid  12 and name HG##)
    OR (resid  14 and name  HD#) (resid  11 and name HD##)
assign (resid  14 and name  HB#) (resid  15 and name   HN) 3.4 1.6 2.0 ! peak:  534 volume:   91.84 intensity:   19.09  {?}
    OR (resid  13 and name   HN) (resid  14 and name  HB#)
assign (resid  14 and name   HE) (resid  15 and name   HN) 5.0 3.2 0.0 ! peak:  538 volume:    3.63 intensity:    0.58 {?}
    OR (resid  13 and name   HN) (resid  14 and name   HE)
    OR (resid  13 and name   HN) (resid  10 and name   HE)
assign (resid  14 and name   HN) (resid  14 and name   HE) 5.0 3.2 0.0 ! peak:  602 volume:   14.67 intensity:    1.44  {?}
    OR (resid  10 and name   HN) (resid  10 and name   HE)
assign (resid  15 and name   HN) (resid  16 and name   HA) 5.0 3.2 0.0 ! peak:  522 volume:   10.52 intensity:    2.36  {?}
    OR (resid  16 and name   HA) (resid  13 and name   HN)
assign (resid  15 and name   HN) (resid  16 and name   HA) 5.0 3.2 0.0 ! peak:  530 volume:   24.91 intensity:    3.23  {?}
    OR (resid  13 and name   HN) (resid  16 and name   HA)

! Dihedral angle restraints (based on secondary structure as defined by local NOE patterns)
!Phi (top) and psi (bottom) angles
! what the 4 numbers at the end of the assign statement mean:
! 1:  energy constant
! 2:  dihedral angle
! 3:  allowed range around dihedral angle
! 4:  exponent of the restraining function
! for beta strands: phi=-120 +/- 30 psi=120 +/- 40
! for alpha helix: phi=-60 +/- 30 psi=-40 +/- 40
assign (resid  6 and name C  ) (resid  7 and name N  )
       (resid  7 and name CA ) (resid  7 and name C  )  1.0  -60  30 2
assign (resid  7 and name N  ) (resid  7 and name CA )
       (resid  7 and name C  ) (resid  8 and name N  )  1.0  -40  40 2
assign (resid  7 and name C  ) (resid  8 and name N  )
       (resid  8 and name CA ) (resid  8 and name C  )  1.0  -60  30 2
assign (resid  8 and name N  ) (resid  8 and name CA )
       (resid  8 and name C  ) (resid  9 and name N  )  1.0  -40  40 2
assign (resid  8 and name C  ) (resid  9 and name N  )
       (resid  9 and name CA ) (resid  9 and name C  )  1.0  -60  30 2
assign (resid  9 and name N  ) (resid  9 and name CA )
       (resid  9 and name C  ) (resid  10 and name N  )  1.0  -40  40 2
assign (resid  9 and name C  ) (resid  10 and name N  )
       (resid  10 and name CA ) (resid  10 and name C  )  1.0  -60  30 2
assign (resid  10 and name N  ) (resid  10 and name CA )
       (resid  10 and name C  ) (resid  11 and name N  )  1.0  -40  40 2
assign (resid  10 and name C  ) (resid  11 and name N  )
       (resid  11 and name CA ) (resid  11 and name C  )  1.0  -60  30 2
assign (resid  11 and name N  ) (resid  11 and name CA )
       (resid  11 and name C  ) (resid  12 and name N  )  1.0  -40  40 2
assign (resid  11 and name C  ) (resid  12 and name N  )
       (resid  12 and name CA ) (resid  12 and name C  )  1.0  -60  30 2
assign (resid  12 and name N  ) (resid  12 and name CA )
       (resid  12 and name C  ) (resid  13 and name N  )  1.0  -40  40 2
assign (resid  12 and name C  ) (resid  13 and name N  )
       (resid  13 and name CA ) (resid  13 and name C  )  1.0  -60  30 2
assign (resid  13 and name N  ) (resid  13 and name CA )
       (resid  13 and name C  ) (resid  14 and name N  )  1.0  -40  40 2
assign (resid  13 and name C  ) (resid  14 and name N  )
       (resid  14 and name CA ) (resid  14 and name C  )  1.0  -60  30 2
assign (resid  14 and name N  ) (resid  14 and name CA )
       (resid  14 and name C  ) (resid  15 and name N  )  1.0  -40  40 2
assign (resid  14 and name C  ) (resid  15 and name N  )
       (resid  15 and name CA ) (resid  15 and name C  )  1.0  -60  30 2
assign (resid  15 and name N  ) (resid  15 and name CA )
       (resid  15 and name C  ) (resid  16 and name N  )  1.0  -40  40 2
assign (resid  15 and name C  ) (resid  16 and name N  )
       (resid  16 and name CA ) (resid  16 and name C  )  1.0  -60  30 2

!Hydrogen bonds (based on secondary structure as determined from local NOE patterns)
assign (resid 7 and name O ) (resid 11 and name HN ) 2.2 0.5 0.2
assign (resid 7 and name O ) (resid 11 and name N  ) 3.3 0.8 2.2
assign (resid 8 and name O ) (resid 12 and name HN ) 2.2 0.5 0.2
assign (resid 8 and name O ) (resid 12 and name N  ) 3.3 0.8 0.2
assign (resid 9 and name O ) (resid 13 and name HN ) 2.2 0.5 0.2
assign (resid 9 and name O ) (resid 13 and name N  ) 3.3 0.8 2.2
assign (resid 10 and name O ) (resid 14 and name HN ) 2.2 0.5 0.2
assign (resid 10 and name O ) (resid 14 and name N  ) 3.3 0.8 0.2
assign (resid 11 and name O ) (resid 15 and name HN ) 2.2 0.5 0.2
assign (resid 11 and name O ) (resid 15 and name N  ) 3.3 0.8 2.2
assign (resid 12 and name O ) (resid 16 and name HN ) 2.2 0.5 0.2
assign (resid 12 and name O ) (resid 16 and name N  ) 3.3 0.8 2.2


--------------------------------------
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1HT       GLY   1 -12.121   2.795  -2.371
    2   2H    GLY   1          2HT       GLY   1 -12.019   2.323  -0.750
    3   3H    GLY   1          3HT       GLY   1 -12.469   1.199  -1.931
    4   1HA   GLY   1          1HA       GLY   1 -10.379   0.731  -2.491
    5   2HA   GLY   1          2HA       GLY   1  -9.945   2.433  -2.497
    6    H    ARG   2           H        ARG   2  -8.196   2.632  -1.260
    7    HA   ARG   2           HA       ARG   2  -6.838   2.619   0.562
    8   1HB   ARG   2          2HB       ARG   2  -9.553   2.426   1.699
    9   2HB   ARG   2          1HB       ARG   2  -8.260   1.894   2.766
   10   1HG   ARG   2          2HG       ARG   2  -8.240   4.072   3.336
   11   2HG   ARG   2          1HG       ARG   2  -7.200   4.201   1.915
   12   1HD   ARG   2          2HD       ARG   2 -10.182   4.495   1.730
   13   2HD   ARG   2          1HD       ARG   2  -9.139   5.858   2.132
   14    HE   ARG   2           HE       ARG   2  -8.288   4.500  -0.233
   15   1HH1  ARG   2          1HH1      ARG   2 -10.560   6.845   0.998
   16   2HH1  ARG   2          2HH1      ARG   2 -10.738   7.657  -0.521
   17   1HH2  ARG   2          1HH2      ARG   2  -8.521   5.567  -2.234
   18   2HH2  ARG   2          2HH2      ARG   2  -9.581   6.931  -2.356
   19    H    MET   3           H        MET   3  -5.351   1.160   1.068
   20    HA   MET   3           HA       MET   3  -4.297  -0.851   1.257
   21   1HB   MET   3          2HB       MET   3  -6.520  -2.145   2.695
   22   2HB   MET   3          1HB       MET   3  -4.842  -1.935   3.169
   23   1HG   MET   3          2HG       MET   3  -7.040   0.107   3.368
   24   2HG   MET   3          1HG       MET   3  -6.285  -0.769   4.697
   25   1HE   MET   3          1HE       MET   3  -4.619   2.226   5.868
   26   2HE   MET   3          2HE       MET   3  -6.018   1.156   5.948
   27   3HE   MET   3          3HE       MET   3  -6.102   2.650   5.013
   28    H    LEU   4           H        LEU   4  -5.184  -0.798  -1.175
   29    HA   LEU   4           HA       LEU   4  -5.610  -3.454  -1.879
   30   1HB   LEU   4          2HB       LEU   4  -7.963  -2.312  -1.095
   31   2HB   LEU   4          1HB       LEU   4  -8.001  -2.115  -2.836
   32    HG   LEU   4           HG       LEU   4  -9.141  -4.148  -2.279
   33   1HD1  LEU   4          1HD1      LEU   4  -8.208  -5.425  -3.890
   34   2HD1  LEU   4          2HD1      LEU   4  -6.595  -5.330  -3.184
   35   3HD1  LEU   4          3HD1      LEU   4  -7.218  -3.987  -4.143
   36   1HD2  LEU   4          1HD2      LEU   4  -8.008  -4.436  -0.067
   37   2HD2  LEU   4          2HD2      LEU   4  -6.624  -5.105  -0.931
   38   3HD2  LEU   4          3HD2      LEU   4  -8.186  -5.920  -1.002
   39    HA   PRO   5           HA       PRO   5  -5.683  -0.777  -5.787
   40   1HB   PRO   5          2HB       PRO   5  -6.166   1.975  -4.950
   41   2HB   PRO   5          1HB       PRO   5  -7.169   0.941  -5.975
   42   1HG   PRO   5          2HG       PRO   5  -8.002   1.654  -3.516
   43   2HG   PRO   5          1HG       PRO   5  -8.317   0.025  -4.156
   44   1HD   PRO   5          2HD       PRO   5  -6.050   0.895  -2.390
   45   2HD   PRO   5          1HD       PRO   5  -7.252  -0.392  -2.104
   46    H    GLN   6           H        GLN   6  -4.111   0.166  -2.928
   47    HA   GLN   6           HA       GLN   6  -1.784   1.076  -4.464
   48   1HB   GLN   6          2HB       GLN   6  -3.014   2.977  -3.334
   49   2HB   GLN   6          1HB       GLN   6  -2.577   2.243  -1.797
   50   1HG   GLN   6          2HG       GLN   6  -0.249   2.551  -2.235
   51   2HG   GLN   6          1HG       GLN   6  -0.582   3.086  -3.881
   52   1HE2  GLN   6          1HE2      GLN   6   0.821   4.429  -1.686
   53   2HE2  GLN   6          2HE2      GLN   6   0.003   5.934  -1.456
   54    H    LEU   7           H        LEU   7  -2.947  -1.324  -2.599
   55    HA   LEU   7           HA       LEU   7  -1.123  -1.698  -0.534
   56   1HB   LEU   7          2HB       LEU   7  -3.107  -3.055  -0.732
   57   2HB   LEU   7          1HB       LEU   7  -2.549  -3.722  -2.254
   58    HG   LEU   7           HG       LEU   7  -0.827  -4.142   0.134
   59   1HD1  LEU   7          1HD1      LEU   7  -3.583  -5.180  -0.165
   60   2HD1  LEU   7          2HD1      LEU   7  -2.641  -4.857   1.291
   61   3HD1  LEU   7          3HD1      LEU   7  -2.340  -6.320   0.352
   62   1HD2  LEU   7          1HD2      LEU   7   0.027  -5.832  -1.086
   63   2HD2  LEU   7          2HD2      LEU   7  -0.688  -4.952  -2.436
   64   3HD2  LEU   7          3HD2      LEU   7  -1.547  -6.314  -1.719
   65    H    VAL   8           H        VAL   8  -0.674  -1.969  -3.928
   66    HA   VAL   8           HA       VAL   8   1.734  -3.567  -3.689
   67    HB   VAL   8           HB       VAL   8   1.782  -2.713  -6.277
   68   1HG1  VAL   8          1HG1      VAL   8   1.183  -4.894  -6.849
   69   2HG1  VAL   8          2HG1      VAL   8   0.112  -5.064  -5.458
   70   3HG1  VAL   8          3HG1      VAL   8   1.861  -5.042  -5.229
   71   1HG2  VAL   8          1HG2      VAL   8  -0.381  -2.649  -7.217
   72   2HG2  VAL   8          2HG2      VAL   8  -0.433  -1.549  -5.840
   73   3HG2  VAL   8          3HG2      VAL   8  -1.138  -3.159  -5.708
   74    H    CYS   9           H        CYS   9   1.062  -0.493  -5.289
   75    HA   CYS   9           HA       CYS   9   3.688   0.401  -5.370
   76   1HB   CYS   9          2HB       CYS   9   1.039   1.811  -5.381
   77   2HB   CYS   9          1HB       CYS   9   2.516   2.761  -5.256
   78    HG   CYS   9           HG       CYS   9   3.094   2.229  -7.626
   79    H    ARG  10           H        ARG  10   1.288   0.613  -2.770
   80    HA   ARG  10           HA       ARG  10   2.983   2.235  -1.173
   81   1HB   ARG  10          2HB       ARG  10   0.621   2.074  -0.555
   82   2HB   ARG  10          1HB       ARG  10   0.837   0.361  -0.193
   83   1HG   ARG  10          2HG       ARG  10   2.860   1.824   1.203
   84   2HG   ARG  10          1HG       ARG  10   1.285   2.590   1.509
   85   1HD   ARG  10          2HD       ARG  10   1.517  -0.382   1.678
   86   2HD   ARG  10          1HD       ARG  10   2.116   0.607   3.010
   87    HE   ARG  10           HE       ARG  10  -0.638   0.174   2.253
   88   1HH1  ARG  10          1HH1      ARG  10   1.597   2.177   4.041
   89   2HH1  ARG  10          2HH1      ARG  10   0.383   2.789   5.112
   90   1HH2  ARG  10          1HH2      ARG  10  -2.230   0.979   3.664
   91   2HH2  ARG  10          2HH2      ARG  10  -1.790   2.108   4.901
   92    H    LEU  11           H        LEU  11   2.472  -1.223  -1.414
   93    HA   LEU  11           HA       LEU  11   3.907  -2.407   0.426
   94   1HB   LEU  11          2HB       LEU  11   3.075  -3.224  -2.011
   95   2HB   LEU  11          1HB       LEU  11   4.808  -3.180  -2.278
   96    HG   LEU  11           HG       LEU  11   3.525  -4.704  -0.015
   97   1HD1  LEU  11          1HD1      LEU  11   2.736  -5.571  -2.166
   98   2HD1  LEU  11          2HD1      LEU  11   3.816  -6.706  -1.358
   99   3HD1  LEU  11          3HD1      LEU  11   4.406  -5.736  -2.706
  100   1HD2  LEU  11          1HD2      LEU  11   6.172  -5.349  -1.194
  101   2HD2  LEU  11          2HD2      LEU  11   5.596  -5.528   0.464
  102   3HD2  LEU  11          3HD2      LEU  11   6.053  -3.936  -0.145
  103    H    VAL  12           H        VAL  12   5.114  -0.514  -2.239
  104    HA   VAL  12           HA       VAL  12   7.818  -0.804  -1.527
  105    HB   VAL  12           HB       VAL  12   6.550   1.561  -2.910
  106   1HG1  VAL  12          1HG1      VAL  12   8.712   2.182  -2.158
  107   2HG1  VAL  12          2HG1      VAL  12   8.861   1.823  -3.878
  108   3HG1  VAL  12          3HG1      VAL  12   9.410   0.649  -2.681
  109   1HG2  VAL  12          1HG2      VAL  12   6.482  -0.964  -3.856
  110   2HG2  VAL  12          2HG2      VAL  12   8.036  -0.428  -4.496
  111   3HG2  VAL  12          3HG2      VAL  12   6.566   0.467  -4.883
  112    H    LEU  13           H        LEU  13   5.359   1.588  -0.901
  113    HA   LEU  13           HA       LEU  13   6.929   2.799   1.159
  114   1HB   LEU  13          2HB       LEU  13   4.130   3.581   1.078
  115   2HB   LEU  13          1HB       LEU  13   5.591   4.554   1.162
  116    HG   LEU  13           HG       LEU  13   4.594   3.256  -1.377
  117   1HD1  LEU  13          1HD1      LEU  13   4.426   6.179  -0.986
  118   2HD1  LEU  13          2HD1      LEU  13   3.229   5.191  -0.149
  119   3HD1  LEU  13          3HD1      LEU  13   3.383   5.093  -1.903
  120   1HD2  LEU  13          1HD2      LEU  13   7.086   4.104  -0.833
  121   2HD2  LEU  13          2HD2      LEU  13   6.363   5.612  -1.391
  122   3HD2  LEU  13          3HD2      LEU  13   6.353   4.191  -2.435
  123    H    ARG  14           H        ARG  14   5.340  -0.015   1.125
  124    HA   ARG  14           HA       ARG  14   3.906   0.085   3.550
  125   1HB   ARG  14          2HB       ARG  14   3.448  -1.784   2.144
  126   2HB   ARG  14          1HB       ARG  14   5.152  -2.202   2.031
  127   1HG   ARG  14          2HG       ARG  14   3.932  -2.221   4.726
  128   2HG   ARG  14          1HG       ARG  14   3.449  -3.497   3.606
  129   1HD   ARG  14          2HD       ARG  14   6.346  -2.871   3.926
  130   2HD   ARG  14          1HD       ARG  14   5.529  -3.792   5.188
  131    HE   ARG  14           HE       ARG  14   4.857  -5.030   2.831
  132   1HH1  ARG  14          1HH1      ARG  14   7.823  -4.270   4.505
  133   2HH1  ARG  14          2HH1      ARG  14   8.676  -5.640   3.878
  134   1HH2  ARG  14          1HH2      ARG  14   5.977  -6.835   2.006
  135   2HH2  ARG  14          2HH2      ARG  14   7.628  -7.096   2.459
  136    H    CYS  15           H        CYS  15   7.086  -0.495   2.398
  137    HA   CYS  15           HA       CYS  15   8.317  -0.885   5.010
  138   1HB   CYS  15          2HB       CYS  15   8.919  -1.576   2.306
  139   2HB   CYS  15          1HB       CYS  15  10.220  -0.567   2.908
  140    HG   CYS  15           HG       CYS  15   9.648  -2.784   4.860
  141    H    SER  16           H        SER  16   7.555   1.604   2.802
  142    HA   SER  16           HA       SER  16   9.328   3.484   2.597
  143   1HB   SER  16          2HB       SER  16   7.273   4.330   2.054
  144   2HB   SER  16          1HB       SER  16   6.519   3.743   3.534
  145    HG   SER  16           HG       SER  16   6.738   6.009   3.546
  Start of MODEL    2
    1   1H    GLY   1          1HT       GLY   1 -12.927   0.309  -1.694
    2   2H    GLY   1          2HT       GLY   1 -12.513   1.924  -1.983
    3   3H    GLY   1          3HT       GLY   1 -12.009   1.165  -0.559
    4   1HA   GLY   1          1HA       GLY   1 -11.024  -0.461  -2.505
    5   2HA   GLY   1          2HA       GLY   1 -10.809   1.153  -3.162
    6    H    ARG   2           H        ARG   2 -10.624  -0.067   0.175
    7    HA   ARG   2           HA       ARG   2  -8.076   1.312   0.488
    8   1HB   ARG   2          2HB       ARG   2 -10.059   0.100   2.384
    9   2HB   ARG   2          1HB       ARG   2  -8.419   0.434   2.920
   10   1HG   ARG   2          2HG       ARG   2 -10.036   2.231   3.454
   11   2HG   ARG   2          1HG       ARG   2  -8.677   2.770   2.466
   12   1HD   ARG   2          2HD       ARG   2 -11.137   1.862   1.074
   13   2HD   ARG   2          1HD       ARG   2 -11.186   3.420   1.895
   14    HE   ARG   2           HE       ARG   2  -8.868   3.294   0.317
   15   1HH1  ARG   2          1HH1      ARG   2 -12.335   3.486  -0.037
   16   2HH1  ARG   2          2HH1      ARG   2 -12.260   4.316  -1.554
   17   1HH2  ARG   2          1HH2      ARG   2  -8.767   4.388  -1.678
   18   2HH2  ARG   2          2HH2      ARG   2 -10.234   4.828  -2.488
   19    H    MET   3           H        MET   3  -6.145   0.331   0.725
   20    HA   MET   3           HA       MET   3  -4.552  -1.288   0.608
   21   1HB   MET   3          2HB       MET   3  -6.541  -3.096   1.976
   22   2HB   MET   3          1HB       MET   3  -4.786  -3.182   2.039
   23   1HG   MET   3          2HG       MET   3  -5.807  -0.630   2.964
   24   2HG   MET   3          1HG       MET   3  -6.438  -1.990   3.889
   25   1HE   MET   3          1HE       MET   3  -4.882   0.446   4.590
   26   2HE   MET   3          2HE       MET   3  -3.132   0.417   4.374
   27   3HE   MET   3          3HE       MET   3  -3.843  -0.137   5.891
   28    H    LEU   4           H        LEU   4  -5.336  -1.116  -1.751
   29    HA   LEU   4           HA       LEU   4  -5.357  -3.724  -2.818
   30   1HB   LEU   4          2HB       LEU   4  -7.866  -2.830  -2.213
   31   2HB   LEU   4          1HB       LEU   4  -7.706  -2.409  -3.907
   32    HG   LEU   4           HG       LEU   4  -6.799  -5.105  -3.517
   33   1HD1  LEU   4          1HD1      LEU   4  -9.275  -5.864  -3.018
   34   2HD1  LEU   4          2HD1      LEU   4  -9.313  -4.342  -2.128
   35   3HD1  LEU   4          3HD1      LEU   4  -8.119  -5.574  -1.718
   36   1HD2  LEU   4          1HD2      LEU   4  -7.979  -5.464  -5.418
   37   2HD2  LEU   4          2HD2      LEU   4  -7.921  -3.704  -5.495
   38   3HD2  LEU   4          3HD2      LEU   4  -9.360  -4.513  -4.873
   39    HA   PRO   5           HA       PRO   5  -5.164  -0.581  -6.366
   40   1HB   PRO   5          2HB       PRO   5  -5.941   2.007  -5.246
   41   2HB   PRO   5          1HB       PRO   5  -6.711   1.085  -6.544
   42   1HG   PRO   5          2HG       PRO   5  -7.946   1.375  -4.181
   43   2HG   PRO   5          1HG       PRO   5  -8.012  -0.173  -5.055
   44   1HD   PRO   5          2HD       PRO   5  -6.101   0.620  -2.879
   45   2HD   PRO   5          1HD       PRO   5  -7.215  -0.773  -2.921
   46    H    GLN   6           H        GLN   6  -4.062   0.154  -3.222
   47    HA   GLN   6           HA       GLN   6  -1.602   1.322  -4.317
   48   1HB   GLN   6          2HB       GLN   6  -3.157   2.987  -3.144
   49   2HB   GLN   6          1HB       GLN   6  -2.762   2.134  -1.658
   50   1HG   GLN   6          2HG       GLN   6  -0.341   2.591  -2.177
   51   2HG   GLN   6          1HG       GLN   6  -0.907   3.663  -3.457
   52   1HE2  GLN   6          1HE2      GLN   6  -2.867   5.068  -2.495
   53   2HE2  GLN   6          2HE2      GLN   6  -2.431   5.937  -1.066
   54    H    LEU   7           H        LEU   7  -2.910  -1.282  -2.842
   55    HA   LEU   7           HA       LEU   7  -1.280  -1.787  -0.627
   56   1HB   LEU   7          2HB       LEU   7  -3.287  -3.067  -1.083
   57   2HB   LEU   7          1HB       LEU   7  -2.586  -3.692  -2.563
   58    HG   LEU   7           HG       LEU   7  -1.207  -4.236   0.031
   59   1HD1  LEU   7          1HD1      LEU   7  -3.154  -5.087   0.807
   60   2HD1  LEU   7          2HD1      LEU   7  -2.691  -6.451  -0.211
   61   3HD1  LEU   7          3HD1      LEU   7  -3.848  -5.260  -0.804
   62   1HD2  LEU   7          1HD2      LEU   7  -1.108  -6.485  -1.469
   63   2HD2  LEU   7          2HD2      LEU   7   0.090  -5.192  -1.541
   64   3HD2  LEU   7          3HD2      LEU   7  -1.213  -5.255  -2.729
   65    H    VAL   8           H        VAL   8  -0.664  -2.030  -4.016
   66    HA   VAL   8           HA       VAL   8   1.751  -3.593  -3.669
   67    HB   VAL   8           HB       VAL   8   0.764  -2.274  -6.190
   68   1HG1  VAL   8          1HG1      VAL   8   2.123  -4.035  -7.282
   69   2HG1  VAL   8          2HG1      VAL   8   2.704  -4.529  -5.693
   70   3HG1  VAL   8          3HG1      VAL   8   3.083  -2.920  -6.308
   71   1HG2  VAL   8          1HG2      VAL   8   0.139  -4.866  -6.542
   72   2HG2  VAL   8          2HG2      VAL   8  -0.996  -3.666  -5.925
   73   3HG2  VAL   8          3HG2      VAL   8  -0.132  -4.720  -4.806
   74    H    CYS   9           H        CYS   9   1.037  -0.523  -5.249
   75    HA   CYS   9           HA       CYS   9   3.639   0.434  -5.324
   76   1HB   CYS   9          2HB       CYS   9   0.958   1.786  -5.299
   77   2HB   CYS   9          1HB       CYS   9   2.417   2.763  -5.179
   78    HG   CYS   9           HG       CYS   9   2.296   0.872  -7.595
   79    H    ARG  10           H        ARG  10   1.255   0.532  -2.701
   80    HA   ARG  10           HA       ARG  10   2.944   2.177  -1.111
   81   1HB   ARG  10          2HB       ARG  10   0.507   1.853  -0.565
   82   2HB   ARG  10          1HB       ARG  10   0.946   0.255   0.044
   83   1HG   ARG  10          2HG       ARG  10   2.792   1.697   1.343
   84   2HG   ARG  10          1HG       ARG  10   1.543   2.937   1.155
   85   1HD   ARG  10          2HD       ARG  10   1.077   1.914   3.220
   86   2HD   ARG  10          1HD       ARG  10  -0.100   1.246   2.093
   87    HE   ARG  10           HE       ARG  10   2.203  -0.406   2.256
   88   1HH1  ARG  10          1HH1      ARG  10  -0.693   0.472   3.993
   89   2HH1  ARG  10          2HH1      ARG  10  -0.810  -1.045   4.820
   90   1HH2  ARG  10          1HH2      ARG  10   2.050  -2.409   3.346
   91   2HH2  ARG  10          2HH2      ARG  10   0.748  -2.680   4.453
   92    H    LEU  11           H        LEU  11   2.481  -1.284  -1.381
   93    HA   LEU  11           HA       LEU  11   3.955  -2.457   0.442
   94   1HB   LEU  11          2HB       LEU  11   3.127  -3.247  -2.020
   95   2HB   LEU  11          1HB       LEU  11   4.862  -3.200  -2.264
   96    HG   LEU  11           HG       LEU  11   3.504  -4.772  -0.075
   97   1HD1  LEU  11          1HD1      LEU  11   2.820  -5.845  -2.026
   98   2HD1  LEU  11          2HD1      LEU  11   4.277  -6.720  -1.556
   99   3HD1  LEU  11          3HD1      LEU  11   4.345  -5.524  -2.851
  100   1HD2  LEU  11          1HD2      LEU  11   6.248  -5.320  -1.073
  101   2HD2  LEU  11          2HD2      LEU  11   5.559  -5.555   0.533
  102   3HD2  LEU  11          3HD2      LEU  11   6.011  -3.937  -0.003
  103    H    VAL  12           H        VAL  12   5.096  -0.509  -2.213
  104    HA   VAL  12           HA       VAL  12   7.813  -0.748  -1.539
  105    HB   VAL  12           HB       VAL  12   6.564   1.677  -2.813
  106   1HG1  VAL  12          1HG1      VAL  12   8.759   2.239  -2.402
  107   2HG1  VAL  12          2HG1      VAL  12   8.873   1.559  -4.026
  108   3HG1  VAL  12          3HG1      VAL  12   9.335   0.588  -2.629
  109   1HG2  VAL  12          1HG2      VAL  12   5.788  -0.225  -4.064
  110   2HG2  VAL  12          2HG2      VAL  12   7.418  -0.898  -4.128
  111   3HG2  VAL  12          3HG2      VAL  12   7.045   0.591  -4.996
  112    H    LEU  13           H        LEU  13   5.309   1.580  -0.860
  113    HA   LEU  13           HA       LEU  13   6.870   2.818   1.195
  114   1HB   LEU  13          2HB       LEU  13   4.049   3.514   1.157
  115   2HB   LEU  13          1HB       LEU  13   5.481   4.527   1.232
  116    HG   LEU  13           HG       LEU  13   4.549   3.217  -1.321
  117   1HD1  LEU  13          1HD1      LEU  13   3.918   5.781  -1.697
  118   2HD1  LEU  13          2HD1      LEU  13   3.610   5.667   0.037
  119   3HD1  LEU  13          3HD1      LEU  13   2.770   4.592  -1.081
  120   1HD2  LEU  13          1HD2      LEU  13   6.049   4.671  -2.404
  121   2HD2  LEU  13          2HD2      LEU  13   6.942   4.019  -1.030
  122   3HD2  LEU  13          3HD2      LEU  13   6.272   5.650  -0.955
  123    H    ARG  14           H        ARG  14   5.357  -0.042   1.148
  124    HA   ARG  14           HA       ARG  14   3.937  -0.015   3.579
  125   1HB   ARG  14          2HB       ARG  14   3.526  -1.907   2.220
  126   2HB   ARG  14          1HB       ARG  14   5.240  -2.208   1.984
  127   1HG   ARG  14          2HG       ARG  14   4.190  -2.377   4.747
  128   2HG   ARG  14          1HG       ARG  14   3.764  -3.666   3.619
  129   1HD   ARG  14          2HD       ARG  14   6.587  -2.915   3.539
  130   2HD   ARG  14          1HD       ARG  14   6.065  -3.541   5.103
  131    HE   ARG  14           HE       ARG  14   5.084  -5.255   3.142
  132   1HH1  ARG  14          1HH1      ARG  14   8.171  -4.229   4.405
  133   2HH1  ARG  14          2HH1      ARG  14   8.963  -5.722   4.027
  134   1HH2  ARG  14          1HH2      ARG  14   6.125  -7.219   2.644
  135   2HH2  ARG  14          2HH2      ARG  14   7.802  -7.419   3.027
  136    H    CYS  15           H        CYS  15   7.130  -0.520   2.412
  137    HA   CYS  15           HA       CYS  15   8.391  -0.827   5.020
  138   1HB   CYS  15          2HB       CYS  15   8.975  -1.575   2.334
  139   2HB   CYS  15          1HB       CYS  15  10.258  -0.515   2.880
  140    HG   CYS  15           HG       CYS  15   9.895  -2.587   4.968
  141    H    SER  16           H        SER  16   7.561   1.615   2.784
  142    HA   SER  16           HA       SER  16   9.316   3.499   2.512
  143   1HB   SER  16          2HB       SER  16   6.517   3.620   3.032
  144   2HB   SER  16          1HB       SER  16   7.298   4.981   3.820
  145    HG   SER  16           HG       SER  16   7.120   5.768   1.855
  Start of MODEL    3
    1   1H    GLY   1          1HT       GLY   1 -10.602   0.360  -6.845
    2   2H    GLY   1          2HT       GLY   1  -9.420   1.221  -5.996
    3   3H    GLY   1          3HT       GLY   1 -11.056   1.463  -5.645
    4   1HA   GLY   1          1HA       GLY   1 -11.291  -0.679  -4.703
    5   2HA   GLY   1          2HA       GLY   1  -9.704  -1.148  -5.293
    6    H    ARG   2           H        ARG   2 -10.783  -1.166  -2.562
    7    HA   ARG   2           HA       ARG   2  -9.002   0.793  -1.281
    8   1HB   ARG   2          2HB       ARG   2 -11.597  -0.412  -0.533
    9   2HB   ARG   2          1HB       ARG   2 -10.444  -0.212   0.779
   10   1HG   ARG   2          2HG       ARG   2 -11.912   1.703   0.640
   11   2HG   ARG   2          1HG       ARG   2 -10.256   2.171   0.244
   12   1HD   ARG   2          2HD       ARG   2 -11.942   1.346  -2.030
   13   2HD   ARG   2          1HD       ARG   2 -12.412   2.846  -1.233
   14    HE   ARG   2           HE       ARG   2 -10.215   2.486  -2.967
   15   1HH1  ARG   2          1HH1      ARG   2 -11.113   4.127  -0.021
   16   2HH1  ARG   2          2HH1      ARG   2  -9.972   5.411  -0.241
   17   1HH2  ARG   2          1HH2      ARG   2  -8.713   4.173  -3.257
   18   2HH2  ARG   2          2HH2      ARG   2  -8.609   5.437  -2.078
   19    H    MET   3           H        MET   3  -7.188   0.099  -0.363
   20    HA   MET   3           HA       MET   3  -5.565  -1.266   0.457
   21   1HB   MET   3          2HB       MET   3  -7.863  -3.013   1.353
   22   2HB   MET   3          1HB       MET   3  -6.227  -3.020   1.996
   23   1HG   MET   3          2HG       MET   3  -6.680  -1.376   3.407
   24   2HG   MET   3          1HG       MET   3  -7.388  -0.385   2.132
   25   1HE   MET   3          1HE       MET   3  -8.730  -3.028   5.203
   26   2HE   MET   3          2HE       MET   3  -9.317  -1.425   5.642
   27   3HE   MET   3          3HE       MET   3  -7.625  -1.654   5.201
   28    H    LEU   4           H        LEU   4  -5.314  -1.601  -1.977
   29    HA   LEU   4           HA       LEU   4  -4.572  -4.204  -2.493
   30   1HB   LEU   4          2HB       LEU   4  -7.274  -4.099  -2.646
   31   2HB   LEU   4          1HB       LEU   4  -6.822  -3.791  -4.311
   32    HG   LEU   4           HG       LEU   4  -7.245  -6.151  -4.001
   33   1HD1  LEU   4          1HD1      LEU   4  -4.390  -5.349  -4.448
   34   2HD1  LEU   4          2HD1      LEU   4  -5.615  -5.795  -5.635
   35   3HD1  LEU   4          3HD1      LEU   4  -4.914  -7.028  -4.586
   36   1HD2  LEU   4          1HD2      LEU   4  -6.780  -6.246  -1.590
   37   2HD2  LEU   4          2HD2      LEU   4  -5.057  -6.086  -1.927
   38   3HD2  LEU   4          3HD2      LEU   4  -5.934  -7.511  -2.481
   39    HA   PRO   5           HA       PRO   5  -4.275  -1.676  -6.516
   40   1HB   PRO   5          2HB       PRO   5  -5.799   0.780  -6.015
   41   2HB   PRO   5          1HB       PRO   5  -6.025  -0.431  -7.286
   42   1HG   PRO   5          2HG       PRO   5  -7.832  -0.211  -5.326
   43   2HG   PRO   5          1HG       PRO   5  -7.332  -1.815  -5.910
   44   1HD   PRO   5          2HD       PRO   5  -6.248  -0.309  -3.551
   45   2HD   PRO   5          1HD       PRO   5  -6.984  -1.935  -3.587
   46    H    GLN   6           H        GLN   6  -4.140  -0.193  -3.419
   47    HA   GLN   6           HA       GLN   6  -1.891   1.504  -4.265
   48   1HB   GLN   6          2HB       GLN   6  -3.853   2.701  -3.274
   49   2HB   GLN   6          1HB       GLN   6  -3.600   1.800  -1.786
   50   1HG   GLN   6          2HG       GLN   6  -1.395   2.802  -1.538
   51   2HG   GLN   6          1HG       GLN   6  -1.625   3.691  -3.044
   52   1HE2  GLN   6          1HE2      GLN   6  -3.721   3.081  -0.248
   53   2HE2  GLN   6          2HE2      GLN   6  -4.049   4.745   0.086
   54    H    LEU   7           H        LEU   7  -2.752  -1.314  -2.649
   55    HA   LEU   7           HA       LEU   7  -0.899  -1.332  -0.523
   56   1HB   LEU   7          2HB       LEU   7  -2.894  -3.031  -1.518
   57   2HB   LEU   7          1HB       LEU   7  -1.412  -3.966  -1.564
   58    HG   LEU   7           HG       LEU   7  -1.062  -3.584   0.819
   59   1HD1  LEU   7          1HD1      LEU   7  -3.487  -1.852   0.521
   60   2HD1  LEU   7          2HD1      LEU   7  -1.936  -1.477   1.274
   61   3HD1  LEU   7          3HD1      LEU   7  -3.063  -2.575   2.074
   62   1HD2  LEU   7          1HD2      LEU   7  -2.646  -5.095   1.590
   63   2HD2  LEU   7          2HD2      LEU   7  -2.607  -5.416  -0.144
   64   3HD2  LEU   7          3HD2      LEU   7  -3.914  -4.452   0.545
   65    H    VAL   8           H        VAL   8  -0.703  -2.147  -3.886
   66    HA   VAL   8           HA       VAL   8   1.774  -3.523  -3.809
   67    HB   VAL   8           HB       VAL   8   0.655  -2.004  -6.160
   68   1HG1  VAL   8          1HG1      VAL   8   2.091  -3.188  -7.492
   69   2HG1  VAL   8          2HG1      VAL   8   2.184  -4.547  -6.374
   70   3HG1  VAL   8          3HG1      VAL   8   3.065  -3.059  -6.028
   71   1HG2  VAL   8          1HG2      VAL   8  -0.199  -4.404  -6.735
   72   2HG2  VAL   8          2HG2      VAL   8  -1.139  -3.364  -5.665
   73   3HG2  VAL   8          3HG2      VAL   8  -0.123  -4.638  -4.989
   74    H    CYS   9           H        CYS   9   1.009  -0.339  -5.107
   75    HA   CYS   9           HA       CYS   9   3.669   0.555  -5.188
   76   1HB   CYS   9          2HB       CYS   9   0.997   1.904  -5.276
   77   2HB   CYS   9          1HB       CYS   9   2.424   2.898  -5.009
   78    HG   CYS   9           HG       CYS   9   2.897   2.781  -7.401
   79    H    ARG  10           H        ARG  10   1.288   0.422  -2.625
   80    HA   ARG  10           HA       ARG  10   3.104   1.947  -0.944
   81   1HB   ARG  10          2HB       ARG  10   0.623   2.286  -0.658
   82   2HB   ARG  10          1HB       ARG  10   0.608   0.703   0.132
   83   1HG   ARG  10          2HG       ARG  10   2.800   1.968   1.271
   84   2HG   ARG  10          1HG       ARG  10   1.588   3.257   1.123
   85   1HD   ARG  10          2HD       ARG  10   1.109   2.349   3.208
   86   2HD   ARG  10          1HD       ARG  10  -0.052   1.543   2.155
   87    HE   ARG  10           HE       ARG  10   2.092  -0.134   2.186
   88   1HH1  ARG  10          1HH1      ARG  10   0.087   1.308   4.652
   89   2HH1  ARG  10          2HH1      ARG  10   0.287  -0.007   5.760
   90   1HH2  ARG  10          1HH2      ARG  10   2.356  -1.866   3.644
   91   2HH2  ARG  10          2HH2      ARG  10   1.575  -1.807   5.189
   92    H    LEU  11           H        LEU  11   3.160  -0.984  -2.010
   93    HA   LEU  11           HA       LEU  11   3.766  -2.455   0.343
   94   1HB   LEU  11          2HB       LEU  11   3.094  -3.251  -2.177
   95   2HB   LEU  11          1HB       LEU  11   4.841  -3.366  -2.262
   96    HG   LEU  11           HG       LEU  11   3.085  -4.789  -0.259
   97   1HD1  LEU  11          1HD1      LEU  11   2.719  -5.954  -2.208
   98   2HD1  LEU  11          2HD1      LEU  11   4.139  -6.782  -1.569
   99   3HD1  LEU  11          3HD1      LEU  11   4.318  -5.589  -2.855
  100   1HD2  LEU  11          1HD2      LEU  11   5.966  -5.402  -0.727
  101   2HD2  LEU  11          2HD2      LEU  11   4.970  -5.692   0.699
  102   3HD2  LEU  11          3HD2      LEU  11   5.527  -4.060   0.329
  103    H    VAL  12           H        VAL  12   5.274  -0.707  -2.271
  104    HA   VAL  12           HA       VAL  12   7.949  -1.044  -1.314
  105    HB   VAL  12           HB       VAL  12   6.886   1.213  -3.018
  106   1HG1  VAL  12          1HG1      VAL  12   8.959   1.973  -2.509
  107   2HG1  VAL  12          2HG1      VAL  12   9.415   0.896  -3.829
  108   3HG1  VAL  12          3HG1      VAL  12   9.585   0.363  -2.157
  109   1HG2  VAL  12          1HG2      VAL  12   6.741  -1.386  -3.734
  110   2HG2  VAL  12          2HG2      VAL  12   8.360  -0.985  -4.309
  111   3HG2  VAL  12          3HG2      VAL  12   6.969  -0.062  -4.877
  112    H    LEU  13           H        LEU  13   5.384   1.270  -0.961
  113    HA   LEU  13           HA       LEU  13   6.905   2.732   0.988
  114   1HB   LEU  13          2HB       LEU  13   4.037   3.310   0.757
  115   2HB   LEU  13          1HB       LEU  13   5.408   4.388   0.957
  116    HG   LEU  13           HG       LEU  13   5.226   3.050  -1.672
  117   1HD1  LEU  13          1HD1      LEU  13   3.489   5.411  -1.453
  118   2HD1  LEU  13          2HD1      LEU  13   2.851   3.929  -0.739
  119   3HD1  LEU  13          3HD1      LEU  13   3.319   3.959  -2.440
  120   1HD2  LEU  13          1HD2      LEU  13   6.257   4.954  -2.419
  121   2HD2  LEU  13          2HD2      LEU  13   6.822   4.916  -0.749
  122   3HD2  LEU  13          3HD2      LEU  13   5.489   5.978  -1.205
  123    H    ARG  14           H        ARG  14   5.480  -0.154   0.982
  124    HA   ARG  14           HA       ARG  14   3.955  -0.080   3.318
  125   1HB   ARG  14          2HB       ARG  14   3.647  -2.058   2.108
  126   2HB   ARG  14          1HB       ARG  14   5.371  -2.311   1.898
  127   1HG   ARG  14          2HG       ARG  14   4.261  -2.395   4.647
  128   2HG   ARG  14          1HG       ARG  14   3.953  -3.758   3.570
  129   1HD   ARG  14          2HD       ARG  14   6.732  -2.783   3.644
  130   2HD   ARG  14          1HD       ARG  14   6.145  -3.527   5.130
  131    HE   ARG  14           HE       ARG  14   5.567  -5.095   2.807
  132   1HH1  ARG  14          1HH1      ARG  14   8.036  -4.323   5.150
  133   2HH1  ARG  14          2HH1      ARG  14   8.869  -5.828   4.954
  134   1HH2  ARG  14          1HH2      ARG  14   6.662  -7.075   2.548
  135   2HH2  ARG  14          2HH2      ARG  14   8.090  -7.390   3.476
  136    H    CYS  15           H        CYS  15   7.221  -0.562   2.380
  137    HA   CYS  15           HA       CYS  15   8.331  -0.734   5.063
  138   1HB   CYS  15          2HB       CYS  15   9.132  -1.455   2.414
  139   2HB   CYS  15          1HB       CYS  15  10.329  -0.357   3.074
  140    HG   CYS  15           HG       CYS  15  11.210  -2.489   3.984
  141    H    SER  16           H        SER  16   7.522   1.625   2.738
  142    HA   SER  16           HA       SER  16   9.165   3.621   2.552
  143   1HB   SER  16          2HB       SER  16   7.057   4.264   1.898
  144   2HB   SER  16          1HB       SER  16   6.313   3.742   3.406
  145    HG   SER  16           HG       SER  16   6.861   5.594   4.341
  Start of MODEL    4
    1   1H    GLY   1          1HT       GLY   1 -11.029   1.618  -5.563
    2   2H    GLY   1          2HT       GLY   1 -12.148   1.356  -4.322
    3   3H    GLY   1          3HT       GLY   1 -12.234   0.444  -5.745
    4   1HA   GLY   1          1HA       GLY   1 -11.279  -0.957  -4.117
    5   2HA   GLY   1          2HA       GLY   1 -10.003  -0.481  -5.228
    6    H    ARG   2           H        ARG   2 -11.193  -0.321  -1.999
    7    HA   ARG   2           HA       ARG   2  -9.038   1.481  -1.180
    8   1HB   ARG   2          2HB       ARG   2 -11.437   0.375   0.280
    9   2HB   ARG   2          1HB       ARG   2 -10.174   1.302   1.079
   10   1HG   ARG   2          2HG       ARG   2 -11.995   2.249  -1.121
   11   2HG   ARG   2          1HG       ARG   2 -12.018   2.747   0.571
   12   1HD   ARG   2          2HD       ARG   2 -10.836   4.486  -0.307
   13   2HD   ARG   2          1HD       ARG   2  -9.504   3.382   0.038
   14    HE   ARG   2           HE       ARG   2 -10.259   2.771  -2.513
   15   1HH1  ARG   2          1HH1      ARG   2  -9.242   5.682  -0.881
   16   2HH1  ARG   2          2HH1      ARG   2  -8.529   6.377  -2.299
   17   1HH2  ARG   2          1HH2      ARG   2  -9.321   3.680  -4.377
   18   2HH2  ARG   2          2HH2      ARG   2  -8.571   5.240  -4.283
   19    H    MET   3           H        MET   3  -7.196   0.732  -0.377
   20    HA   MET   3           HA       MET   3  -5.628  -0.641   0.532
   21   1HB   MET   3          2HB       MET   3  -7.145  -0.734   2.458
   22   2HB   MET   3          1HB       MET   3  -8.023  -2.062   1.712
   23   1HG   MET   3          2HG       MET   3  -5.805  -3.314   1.730
   24   2HG   MET   3          1HG       MET   3  -5.244  -2.055   2.829
   25   1HE   MET   3          1HE       MET   3  -7.446  -2.470   5.940
   26   2HE   MET   3          2HE       MET   3  -8.097  -1.551   4.583
   27   3HE   MET   3          3HE       MET   3  -6.386  -1.426   4.991
   28    H    LEU   4           H        LEU   4  -5.412  -1.214  -1.813
   29    HA   LEU   4           HA       LEU   4  -4.934  -3.903  -2.148
   30   1HB   LEU   4          2HB       LEU   4  -7.620  -3.543  -2.304
   31   2HB   LEU   4          1HB       LEU   4  -7.149  -3.417  -3.987
   32    HG   LEU   4           HG       LEU   4  -5.881  -5.653  -3.532
   33   1HD1  LEU   4          1HD1      LEU   4  -8.042  -5.928  -1.467
   34   2HD1  LEU   4          2HD1      LEU   4  -6.398  -5.452  -1.045
   35   3HD1  LEU   4          3HD1      LEU   4  -6.696  -7.014  -1.807
   36   1HD2  LEU   4          1HD2      LEU   4  -7.540  -5.831  -5.097
   37   2HD2  LEU   4          2HD2      LEU   4  -8.775  -5.167  -4.027
   38   3HD2  LEU   4          3HD2      LEU   4  -8.222  -6.829  -3.812
   39    HA   PRO   5           HA       PRO   5  -4.417  -1.701  -6.326
   40   1HB   PRO   5          2HB       PRO   5  -5.769   0.882  -6.065
   41   2HB   PRO   5          1HB       PRO   5  -6.092  -0.428  -7.209
   42   1HG   PRO   5          2HG       PRO   5  -7.861   0.127  -5.274
   43   2HG   PRO   5          1HG       PRO   5  -7.504  -1.558  -5.718
   44   1HD   PRO   5          2HD       PRO   5  -6.275   0.046  -3.496
   45   2HD   PRO   5          1HD       PRO   5  -7.143  -1.511  -3.394
   46    H    GLN   6           H        GLN   6  -4.157  -0.082  -3.332
   47    HA   GLN   6           HA       GLN   6  -1.865   1.499  -4.276
   48   1HB   GLN   6          2HB       GLN   6  -3.707   2.802  -3.237
   49   2HB   GLN   6          1HB       GLN   6  -3.511   1.867  -1.763
   50   1HG   GLN   6          2HG       GLN   6  -0.969   2.836  -2.314
   51   2HG   GLN   6          1HG       GLN   6  -2.052   4.174  -2.697
   52   1HE2  GLN   6          1HE2      GLN   6  -3.870   4.381  -0.969
   53   2HE2  GLN   6          2HE2      GLN   6  -3.314   4.387   0.667
   54    H    LEU   7           H        LEU   7  -2.790  -1.256  -2.553
   55    HA   LEU   7           HA       LEU   7  -0.892  -1.341  -0.494
   56   1HB   LEU   7          2HB       LEU   7  -2.956  -2.867  -1.057
   57   2HB   LEU   7          1HB       LEU   7  -1.751  -3.828  -1.892
   58    HG   LEU   7           HG       LEU   7  -0.459  -3.805   0.332
   59   1HD1  LEU   7          1HD1      LEU   7  -3.063  -3.476   1.687
   60   2HD1  LEU   7          2HD1      LEU   7  -2.269  -2.005   1.125
   61   3HD1  LEU   7          3HD1      LEU   7  -1.434  -3.087   2.241
   62   1HD2  LEU   7          1HD2      LEU   7  -2.963  -5.306   0.750
   63   2HD2  LEU   7          2HD2      LEU   7  -1.289  -5.863   0.744
   64   3HD2  LEU   7          3HD2      LEU   7  -2.134  -5.591  -0.781
   65    H    VAL   8           H        VAL   8  -0.721  -2.125  -3.869
   66    HA   VAL   8           HA       VAL   8   1.746  -3.518  -3.825
   67    HB   VAL   8           HB       VAL   8   0.576  -1.965  -6.129
   68   1HG1  VAL   8          1HG1      VAL   8   2.113  -2.923  -7.474
   69   2HG1  VAL   8          2HG1      VAL   8   2.108  -4.441  -6.577
   70   3HG1  VAL   8          3HG1      VAL   8   3.035  -3.067  -5.976
   71   1HG2  VAL   8          1HG2      VAL   8   0.197  -4.881  -6.024
   72   2HG2  VAL   8          2HG2      VAL   8  -0.902  -3.609  -6.559
   73   3HG2  VAL   8          3HG2      VAL   8  -0.727  -3.956  -4.840
   74    H    CYS   9           H        CYS   9   1.029  -0.326  -5.128
   75    HA   CYS   9           HA       CYS   9   3.697   0.536  -5.196
   76   1HB   CYS   9          2HB       CYS   9   1.211   2.251  -4.907
   77   2HB   CYS   9          1HB       CYS   9   2.793   2.806  -5.445
   78    HG   CYS   9           HG       CYS   9   2.298   1.000  -7.506
   79    H    ARG  10           H        ARG  10   1.319   0.410  -2.642
   80    HA   ARG  10           HA       ARG  10   3.118   1.932  -0.944
   81   1HB   ARG  10          2HB       ARG  10   0.646   2.280  -0.685
   82   2HB   ARG  10          1HB       ARG  10   0.598   0.681   0.071
   83   1HG   ARG  10          2HG       ARG  10   2.770   1.900   1.292
   84   2HG   ARG  10          1HG       ARG  10   1.575   3.204   1.137
   85   1HD   ARG  10          2HD       ARG  10   1.006   2.266   3.181
   86   2HD   ARG  10          1HD       ARG  10  -0.110   1.469   2.072
   87    HE   ARG  10           HE       ARG  10   2.134  -0.140   2.225
   88   1HH1  ARG  10          1HH1      ARG  10  -0.322   1.045   4.404
   89   2HH1  ARG  10          2HH1      ARG  10  -0.251  -0.343   5.438
   90   1HH2  ARG  10          1HH2      ARG  10   2.228  -1.966   3.584
   91   2HH2  ARG  10          2HH2      ARG  10   1.196  -2.053   4.972
   92    H    LEU  11           H        LEU  11   3.176  -1.003  -2.017
   93    HA   LEU  11           HA       LEU  11   3.776  -2.475   0.340
   94   1HB   LEU  11          2HB       LEU  11   3.090  -3.283  -2.162
   95   2HB   LEU  11          1HB       LEU  11   4.837  -3.365  -2.285
   96    HG   LEU  11           HG       LEU  11   3.739  -4.663   0.112
   97   1HD1  LEU  11          1HD1      LEU  11   2.052  -5.084  -1.787
   98   2HD1  LEU  11          2HD1      LEU  11   2.681  -6.469  -0.895
   99   3HD1  LEU  11          3HD1      LEU  11   3.323  -6.083  -2.492
  100   1HD2  LEU  11          1HD2      LEU  11   6.126  -4.670  -0.935
  101   2HD2  LEU  11          2HD2      LEU  11   5.460  -5.930  -1.973
  102   3HD2  LEU  11          3HD2      LEU  11   5.473  -6.145  -0.223
  103    H    VAL  12           H        VAL  12   5.273  -0.718  -2.267
  104    HA   VAL  12           HA       VAL  12   7.950  -1.046  -1.314
  105    HB   VAL  12           HB       VAL  12   6.807   1.139  -3.054
  106   1HG1  VAL  12          1HG1      VAL  12   8.905   1.817  -2.039
  107   2HG1  VAL  12          2HG1      VAL  12   9.136   1.517  -3.762
  108   3HG1  VAL  12          3HG1      VAL  12   9.673   0.324  -2.579
  109   1HG2  VAL  12          1HG2      VAL  12   6.895  -1.464  -3.726
  110   2HG2  VAL  12          2HG2      VAL  12   8.504  -0.959  -4.241
  111   3HG2  VAL  12          3HG2      VAL  12   7.076  -0.150  -4.888
  112    H    LEU  13           H        LEU  13   5.374   1.258  -0.972
  113    HA   LEU  13           HA       LEU  13   6.868   2.741   0.982
  114   1HB   LEU  13          2HB       LEU  13   3.981   3.245   0.715
  115   2HB   LEU  13          1HB       LEU  13   5.315   4.357   0.975
  116    HG   LEU  13           HG       LEU  13   5.232   3.060  -1.681
  117   1HD1  LEU  13          1HD1      LEU  13   3.579   5.243  -2.038
  118   2HD1  LEU  13          2HD1      LEU  13   2.929   4.452  -0.602
  119   3HD1  LEU  13          3HD1      LEU  13   3.103   3.546  -2.106
  120   1HD2  LEU  13          1HD2      LEU  13   6.142   5.085  -2.398
  121   2HD2  LEU  13          2HD2      LEU  13   6.846   4.845  -0.799
  122   3HD2  LEU  13          3HD2      LEU  13   5.504   5.968  -1.011
  123    H    ARG  14           H        ARG  14   5.489  -0.166   0.975
  124    HA   ARG  14           HA       ARG  14   3.967  -0.124   3.314
  125   1HB   ARG  14          2HB       ARG  14   3.636  -2.100   2.162
  126   2HB   ARG  14          1HB       ARG  14   5.333  -2.277   1.772
  127   1HG   ARG  14          2HG       ARG  14   5.397  -2.586   4.462
  128   2HG   ARG  14          1HG       ARG  14   3.815  -3.260   4.068
  129   1HD   ARG  14          2HD       ARG  14   5.350  -5.056   3.937
  130   2HD   ARG  14          1HD       ARG  14   4.965  -4.605   2.276
  131    HE   ARG  14           HE       ARG  14   7.322  -3.332   3.334
  132   1HH1  ARG  14          1HH1      ARG  14   6.063  -6.133   1.677
  133   2HH1  ARG  14          2HH1      ARG  14   7.568  -6.513   0.911
  134   1HH2  ARG  14          1HH2      ARG  14   9.305  -3.831   2.324
  135   2HH2  ARG  14          2HH2      ARG  14   9.408  -5.209   1.281
  136    H    CYS  15           H        CYS  15   7.238  -0.563   2.365
  137    HA   CYS  15           HA       CYS  15   8.354  -0.720   5.050
  138   1HB   CYS  15          2HB       CYS  15   9.172  -1.433   2.410
  139   2HB   CYS  15          1HB       CYS  15  10.337  -0.289   3.048
  140    HG   CYS  15           HG       CYS  15  11.315  -2.158   4.275
  141    H    SER  16           H        SER  16   7.487   1.628   2.739
  142    HA   SER  16           HA       SER  16   9.087   3.655   2.549
  143   1HB   SER  16          2HB       SER  16   6.967   4.270   1.914
  144   2HB   SER  16          1HB       SER  16   6.239   3.708   3.415
  145    HG   SER  16           HG       SER  16   6.538   5.611   4.256
  Start of MODEL    5
    1   1H    GLY   1          1HT       GLY   1 -11.878   1.376  -3.087
    2   2H    GLY   1          2HT       GLY   1 -11.963   1.260  -1.403
    3   3H    GLY   1          3HT       GLY   1 -12.145  -0.126  -2.354
    4   1HA   GLY   1          1HA       GLY   1  -9.948  -0.386  -2.703
    5   2HA   GLY   1          2HA       GLY   1  -9.671   1.348  -2.734
    6    H    ARG   2           H        ARG   2  -8.507   2.097  -1.106
    7    HA   ARG   2           HA       ARG   2  -7.523   2.318   0.933
    8   1HB   ARG   2          2HB       ARG   2 -10.034   0.888   1.814
    9   2HB   ARG   2          1HB       ARG   2  -8.856   1.572   2.925
   10   1HG   ARG   2          2HG       ARG   2 -10.489   3.207   2.795
   11   2HG   ARG   2          1HG       ARG   2  -9.255   3.776   1.669
   12   1HD   ARG   2          2HD       ARG   2 -11.326   2.017   0.527
   13   2HD   ARG   2          1HD       ARG   2 -11.879   3.600   1.070
   14    HE   ARG   2           HE       ARG   2  -9.520   3.690  -0.573
   15   1HH1  ARG   2          1HH1      ARG   2 -13.011   3.653  -0.569
   16   2HH1  ARG   2          2HH1      ARG   2 -13.144   4.407  -2.122
   17   1HH2  ARG   2          1HH2      ARG   2  -9.695   4.679  -2.615
   18   2HH2  ARG   2          2HH2      ARG   2 -11.262   4.989  -3.283
   19    H    MET   3           H        MET   3  -5.687   1.131   0.773
   20    HA   MET   3           HA       MET   3  -4.205  -0.553   1.143
   21   1HB   MET   3          2HB       MET   3  -5.371  -0.461   3.403
   22   2HB   MET   3          1HB       MET   3  -6.321  -1.839   2.866
   23   1HG   MET   3          2HG       MET   3  -4.474  -2.572   4.231
   24   2HG   MET   3          1HG       MET   3  -4.268  -3.134   2.574
   25   1HE   MET   3          1HE       MET   3  -2.034   0.488   4.320
   26   2HE   MET   3          2HE       MET   3  -2.682  -0.736   5.413
   27   3HE   MET   3          3HE       MET   3  -3.772   0.195   4.385
   28    H    LEU   4           H        LEU   4  -5.156  -0.840  -1.218
   29    HA   LEU   4           HA       LEU   4  -5.179  -3.613  -1.711
   30   1HB   LEU   4          2HB       LEU   4  -7.692  -2.574  -1.182
   31   2HB   LEU   4          1HB       LEU   4  -7.617  -2.680  -2.930
   32    HG   LEU   4           HG       LEU   4  -8.611  -4.690  -2.090
   33   1HD1  LEU   4          1HD1      LEU   4  -5.882  -4.848  -3.249
   34   2HD1  LEU   4          2HD1      LEU   4  -7.432  -5.355  -3.921
   35   3HD1  LEU   4          3HD1      LEU   4  -6.637  -6.342  -2.695
   36   1HD2  LEU   4          1HD2      LEU   4  -7.593  -4.466   0.198
   37   2HD2  LEU   4          2HD2      LEU   4  -6.126  -5.184  -0.467
   38   3HD2  LEU   4          3HD2      LEU   4  -7.631  -6.103  -0.457
   39    HA   PRO   5           HA       PRO   5  -5.305  -1.275  -5.827
   40   1HB   PRO   5          2HB       PRO   5  -6.236   1.435  -5.269
   41   2HB   PRO   5          1HB       PRO   5  -7.000   0.189  -6.265
   42   1HG   PRO   5          2HG       PRO   5  -8.119   0.957  -3.941
   43   2HG   PRO   5          1HG       PRO   5  -8.143  -0.746  -4.451
   44   1HD   PRO   5          2HD       PRO   5  -6.168   0.594  -2.628
   45   2HD   PRO   5          1HD       PRO   5  -7.193  -0.830  -2.301
   46    H    GLN   6           H        GLN   6  -4.119   0.093  -2.963
   47    HA   GLN   6           HA       GLN   6  -1.867   1.319  -4.398
   48   1HB   GLN   6          2HB       GLN   6  -3.426   2.957  -3.239
   49   2HB   GLN   6          1HB       GLN   6  -2.904   2.246  -1.719
   50   1HG   GLN   6          2HG       GLN   6  -0.526   2.805  -2.501
   51   2HG   GLN   6          1HG       GLN   6  -1.314   3.848  -3.683
   52   1HE2  GLN   6          1HE2      GLN   6  -1.629   3.108  -0.222
   53   2HE2  GLN   6          2HE2      GLN   6  -1.728   4.753   0.294
   54    H    LEU   7           H        LEU   7  -2.799  -1.223  -2.505
   55    HA   LEU   7           HA       LEU   7  -0.868  -1.346  -0.490
   56   1HB   LEU   7          2HB       LEU   7  -2.782  -2.823  -0.519
   57   2HB   LEU   7          1HB       LEU   7  -2.231  -3.559  -2.012
   58    HG   LEU   7           HG       LEU   7  -0.184  -3.783   0.003
   59   1HD1  LEU   7          1HD1      LEU   7  -2.035  -3.644   1.590
   60   2HD1  LEU   7          2HD1      LEU   7  -1.338  -5.264   1.552
   61   3HD1  LEU   7          3HD1      LEU   7  -2.868  -4.942   0.735
   62   1HD2  LEU   7          1HD2      LEU   7   0.019  -5.881  -0.842
   63   2HD2  LEU   7          2HD2      LEU   7  -0.879  -5.147  -2.170
   64   3HD2  LEU   7          3HD2      LEU   7  -1.724  -6.122  -0.967
   65    H    VAL   8           H        VAL   8  -0.721  -2.155  -3.865
   66    HA   VAL   8           HA       VAL   8   1.738  -3.559  -3.815
   67    HB   VAL   8           HB       VAL   8   0.558  -2.031  -6.130
   68   1HG1  VAL   8          1HG1      VAL   8   2.078  -3.015  -7.479
   69   2HG1  VAL   8          2HG1      VAL   8   2.089  -4.515  -6.551
   70   3HG1  VAL   8          3HG1      VAL   8   3.016  -3.124  -5.990
   71   1HG2  VAL   8          1HG2      VAL   8  -0.099  -4.596  -6.627
   72   2HG2  VAL   8          2HG2      VAL   8  -1.173  -3.448  -5.828
   73   3HG2  VAL   8          3HG2      VAL   8  -0.218  -4.579  -4.867
   74    H    CYS   9           H        CYS   9   1.038  -0.385  -5.165
   75    HA   CYS   9           HA       CYS   9   3.712   0.462  -5.246
   76   1HB   CYS   9          2HB       CYS   9   1.286   1.532  -6.063
   77   2HB   CYS   9          1HB       CYS   9   1.792   2.632  -4.785
   78    HG   CYS   9           HG       CYS   9   3.242   2.240  -7.483
   79    H    ARG  10           H        ARG  10   1.318   0.411  -2.699
   80    HA   ARG  10           HA       ARG  10   3.115   1.940  -1.011
   81   1HB   ARG  10          2HB       ARG  10   0.637   2.268  -0.762
   82   2HB   ARG  10          1HB       ARG  10   0.601   0.676   0.007
   83   1HG   ARG  10          2HG       ARG  10   2.752   1.930   1.227
   84   2HG   ARG  10          1HG       ARG  10   1.540   3.217   1.058
   85   1HD   ARG  10          2HD       ARG  10   0.838   2.349   3.045
   86   2HD   ARG  10          1HD       ARG  10  -0.079   1.311   1.954
   87    HE   ARG  10           HE       ARG  10   2.212  -0.064   2.295
   88   1HH1  ARG  10          1HH1      ARG  10  -0.027   1.386   4.545
   89   2HH1  ARG  10          2HH1      ARG  10   0.283   0.228   5.795
   90   1HH2  ARG  10          1HH2      ARG  10   2.618  -1.593   3.940
   91   2HH2  ARG  10          2HH2      ARG  10   1.782  -1.463   5.452
   92    H    LEU  11           H        LEU  11   3.182  -1.020  -2.046
   93    HA   LEU  11           HA       LEU  11   3.790  -2.461   0.323
   94   1HB   LEU  11          2HB       LEU  11   3.109  -3.337  -2.132
   95   2HB   LEU  11          1HB       LEU  11   4.851  -3.318  -2.327
   96    HG   LEU  11           HG       LEU  11   3.925  -5.535  -1.672
   97   1HD1  LEU  11          1HD1      LEU  11   6.224  -5.160  -1.241
   98   2HD1  LEU  11          2HD1      LEU  11   5.550  -5.895   0.213
   99   3HD1  LEU  11          3HD1      LEU  11   5.868  -4.162   0.168
  100   1HD2  LEU  11          1HD2      LEU  11   2.215  -4.376  -0.101
  101   2HD2  LEU  11          2HD2      LEU  11   3.522  -4.441   1.081
  102   3HD2  LEU  11          3HD2      LEU  11   2.906  -5.930   0.366
  103    H    VAL  12           H        VAL  12   5.274  -0.689  -2.279
  104    HA   VAL  12           HA       VAL  12   7.959  -0.977  -1.342
  105    HB   VAL  12           HB       VAL  12   6.772   1.225  -3.029
  106   1HG1  VAL  12          1HG1      VAL  12   8.814   2.034  -2.181
  107   2HG1  VAL  12          2HG1      VAL  12   9.180   1.455  -3.805
  108   3HG1  VAL  12          3HG1      VAL  12   9.614   0.478  -2.403
  109   1HG2  VAL  12          1HG2      VAL  12   6.629  -1.177  -3.898
  110   2HG2  VAL  12          2HG2      VAL  12   8.382  -1.086  -4.064
  111   3HG2  VAL  12          3HG2      VAL  12   7.352   0.033  -4.958
  112    H    LEU  13           H        LEU  13   5.351   1.288  -0.946
  113    HA   LEU  13           HA       LEU  13   6.847   2.746   1.027
  114   1HB   LEU  13          2HB       LEU  13   3.974   3.285   0.836
  115   2HB   LEU  13          1HB       LEU  13   5.336   4.381   1.001
  116    HG   LEU  13           HG       LEU  13   4.907   2.993  -1.610
  117   1HD1  LEU  13          1HD1      LEU  13   3.170   5.071  -0.415
  118   2HD1  LEU  13          2HD1      LEU  13   2.789   3.808  -1.585
  119   3HD1  LEU  13          3HD1      LEU  13   3.630   5.268  -2.105
  120   1HD2  LEU  13          1HD2      LEU  13   5.949   4.993  -2.481
  121   2HD2  LEU  13          2HD2      LEU  13   6.938   4.321  -1.185
  122   3HD2  LEU  13          3HD2      LEU  13   5.927   5.733  -0.880
  123    H    ARG  14           H        ARG  14   5.478  -0.161   0.979
  124    HA   ARG  14           HA       ARG  14   3.949  -0.164   3.307
  125   1HB   ARG  14          2HB       ARG  14   3.641  -2.145   2.164
  126   2HB   ARG  14          1HB       ARG  14   5.333  -2.282   1.739
  127   1HG   ARG  14          2HG       ARG  14   5.382  -2.597   4.463
  128   2HG   ARG  14          1HG       ARG  14   3.876  -3.388   3.995
  129   1HD   ARG  14          2HD       ARG  14   5.667  -5.000   3.946
  130   2HD   ARG  14          1HD       ARG  14   5.123  -4.679   2.300
  131    HE   ARG  14           HE       ARG  14   7.190  -2.963   2.617
  132   1HH1  ARG  14          1HH1      ARG  14   6.841  -6.401   3.101
  133   2HH1  ARG  14          2HH1      ARG  14   8.491  -6.749   2.711
  134   1HH2  ARG  14          1HH2      ARG  14   9.357  -3.420   2.095
  135   2HH2  ARG  14          2HH2      ARG  14   9.923  -5.055   2.144
  136    H    CYS  15           H        CYS  15   7.231  -0.552   2.377
  137    HA   CYS  15           HA       CYS  15   8.328  -0.715   5.071
  138   1HB   CYS  15          2HB       CYS  15   9.156  -1.451   2.445
  139   2HB   CYS  15          1HB       CYS  15  10.319  -0.297   3.066
  140    HG   CYS  15           HG       CYS  15  11.271  -2.068   4.453
  141    H    SER  16           H        SER  16   7.483   1.632   2.748
  142    HA   SER  16           HA       SER  16   9.103   3.646   2.565
  143   1HB   SER  16          2HB       SER  16   7.016   4.307   1.903
  144   2HB   SER  16          1HB       SER  16   6.243   3.703   3.365
  145    HG   SER  16           HG       SER  16   7.479   6.149   2.876
  Start of MODEL    6
    1   1H    GLY   1          1HT       GLY   1 -11.758   0.931  -5.902
    2   2H    GLY   1          2HT       GLY   1 -12.479  -0.465  -5.274
    3   3H    GLY   1          3HT       GLY   1 -11.983  -0.423  -6.892
    4   1HA   GLY   1          1HA       GLY   1 -10.301  -1.632  -5.898
    5   2HA   GLY   1          2HA       GLY   1  -9.652  -0.002  -5.982
    6    H    ARG   2           H        ARG   2  -8.803   0.787  -4.179
    7    HA   ARG   2           HA       ARG   2  -8.271   1.091  -1.990
    8   1HB   ARG   2          2HB       ARG   2 -11.137   0.346  -1.902
    9   2HB   ARG   2          1HB       ARG   2 -10.253   0.212  -0.387
   10   1HG   ARG   2          2HG       ARG   2 -11.235   2.364  -0.439
   11   2HG   ARG   2          1HG       ARG   2  -9.506   2.578  -0.717
   12   1HD   ARG   2          2HD       ARG   2 -11.232   2.239  -3.102
   13   2HD   ARG   2          1HD       ARG   2 -11.372   3.759  -2.218
   14    HE   ARG   2           HE       ARG   2  -8.660   3.005  -2.807
   15   1HH1  ARG   2          1HH1      ARG   2 -11.503   4.628  -4.020
   16   2HH1  ARG   2          2HH1      ARG   2 -10.614   5.631  -5.117
   17   1HH2  ARG   2          1HH2      ARG   2  -7.492   4.325  -4.249
   18   2HH2  ARG   2          2HH2      ARG   2  -8.339   5.460  -5.247
   19    H    MET   3           H        MET   3  -6.933  -0.019  -0.718
   20    HA   MET   3           HA       MET   3  -5.793  -1.748   0.218
   21   1HB   MET   3          2HB       MET   3  -8.025  -1.979   1.381
   22   2HB   MET   3          1HB       MET   3  -8.428  -3.222   0.205
   23   1HG   MET   3          2HG       MET   3  -7.245  -4.766   1.278
   24   2HG   MET   3          1HG       MET   3  -5.858  -3.694   1.464
   25   1HE   MET   3          1HE       MET   3  -8.537  -5.132   4.692
   26   2HE   MET   3          2HE       MET   3  -7.701  -5.946   3.369
   27   3HE   MET   3          3HE       MET   3  -9.179  -5.036   3.051
   28    H    LEU   4           H        LEU   4  -5.345  -1.649  -2.387
   29    HA   LEU   4           HA       LEU   4  -4.482  -4.164  -3.089
   30   1HB   LEU   4          2HB       LEU   4  -7.148  -4.182  -3.426
   31   2HB   LEU   4          1HB       LEU   4  -6.635  -3.619  -5.005
   32    HG   LEU   4           HG       LEU   4  -6.921  -6.015  -5.056
   33   1HD1  LEU   4          1HD1      LEU   4  -5.182  -5.218  -6.472
   34   2HD1  LEU   4          2HD1      LEU   4  -4.599  -6.695  -5.704
   35   3HD1  LEU   4          3HD1      LEU   4  -4.047  -5.123  -5.125
   36   1HD2  LEU   4          1HD2      LEU   4  -5.365  -5.876  -2.547
   37   2HD2  LEU   4          2HD2      LEU   4  -5.033  -7.244  -3.608
   38   3HD2  LEU   4          3HD2      LEU   4  -6.671  -6.965  -3.017
   39    HA   PRO   5           HA       PRO   5  -3.974  -1.235  -6.814
   40   1HB   PRO   5          2HB       PRO   5  -5.587   1.130  -6.169
   41   2HB   PRO   5          1HB       PRO   5  -5.694   0.059  -7.572
   42   1HG   PRO   5          2HG       PRO   5  -7.639   0.037  -5.736
   43   2HG   PRO   5          1HG       PRO   5  -7.062  -1.486  -6.449
   44   1HD   PRO   5          2HD       PRO   5  -6.186  -0.228  -3.870
   45   2HD   PRO   5          1HD       PRO   5  -6.875  -1.852  -4.136
   46    H    GLN   6           H        GLN   6  -4.084  -0.095  -3.576
   47    HA   GLN   6           HA       GLN   6  -1.823   1.721  -4.075
   48   1HB   GLN   6          2HB       GLN   6  -3.974   2.685  -3.089
   49   2HB   GLN   6          1HB       GLN   6  -3.610   1.754  -1.643
   50   1HG   GLN   6          2HG       GLN   6  -1.949   3.132  -1.005
   51   2HG   GLN   6          1HG       GLN   6  -1.433   3.455  -2.659
   52   1HE2  GLN   6          1HE2      GLN   6  -3.204   4.570   0.010
   53   2HE2  GLN   6          2HE2      GLN   6  -3.857   5.997  -0.712
   54    H    LEU   7           H        LEU   7  -2.702  -1.268  -2.869
   55    HA   LEU   7           HA       LEU   7  -0.985  -1.457  -0.615
   56   1HB   LEU   7          2HB       LEU   7  -3.041  -2.912  -1.389
   57   2HB   LEU   7          1HB       LEU   7  -1.794  -3.848  -2.190
   58    HG   LEU   7           HG       LEU   7  -0.690  -3.779   0.221
   59   1HD1  LEU   7          1HD1      LEU   7  -2.852  -4.209   1.729
   60   2HD1  LEU   7          2HD1      LEU   7  -3.509  -2.994   0.634
   61   3HD1  LEU   7          3HD1      LEU   7  -2.076  -2.631   1.594
   62   1HD2  LEU   7          1HD2      LEU   7  -2.314  -5.858   0.657
   63   2HD2  LEU   7          2HD2      LEU   7  -1.002  -5.896  -0.522
   64   3HD2  LEU   7          3HD2      LEU   7  -2.656  -5.585  -1.052
   65    H    VAL   8           H        VAL   8  -0.677  -2.125  -4.009
   66    HA   VAL   8           HA       VAL   8   1.795  -3.508  -3.881
   67    HB   VAL   8           HB       VAL   8   0.703  -1.975  -6.233
   68   1HG1  VAL   8          1HG1      VAL   8   2.025  -3.529  -7.566
   69   2HG1  VAL   8          2HG1      VAL   8   2.590  -4.325  -6.097
   70   3HG1  VAL   8          3HG1      VAL   8   3.050  -2.656  -6.427
   71   1HG2  VAL   8          1HG2      VAL   8   0.011  -4.480  -6.810
   72   2HG2  VAL   8          2HG2      VAL   8  -1.053  -3.389  -5.921
   73   3HG2  VAL   8          3HG2      VAL   8  -0.083  -4.579  -5.051
   74    H    CYS   9           H        CYS   9   1.013  -0.277  -5.039
   75    HA   CYS   9           HA       CYS   9   3.690   0.602  -5.105
   76   1HB   CYS   9          2HB       CYS   9   1.820   1.741  -6.317
   77   2HB   CYS   9          1HB       CYS   9   1.203   2.305  -4.767
   78    HG   CYS   9           HG       CYS   9   3.308   3.817  -4.541
   79    H    ARG  10           H        ARG  10   1.302   0.372  -2.560
   80    HA   ARG  10           HA       ARG  10   3.106   1.861  -0.829
   81   1HB   ARG  10          2HB       ARG  10   0.632   2.222  -0.574
   82   2HB   ARG  10          1HB       ARG  10   0.581   0.623   0.181
   83   1HG   ARG  10          2HG       ARG  10   2.768   1.852   1.380
   84   2HG   ARG  10          1HG       ARG  10   1.549   3.140   1.253
   85   1HD   ARG  10          2HD       ARG  10   0.936   2.216   3.262
   86   2HD   ARG  10          1HD       ARG  10  -0.069   1.272   2.162
   87    HE   ARG  10           HE       ARG  10   2.247  -0.159   2.385
   88   1HH1  ARG  10          1HH1      ARG  10  -0.124   1.061   4.638
   89   2HH1  ARG  10          2HH1      ARG  10   0.115  -0.220   5.777
   90   1HH2  ARG  10          1HH2      ARG  10   2.561  -1.845   3.882
   91   2HH2  ARG  10          2HH2      ARG  10   1.641  -1.870   5.348
   92    H    LEU  11           H        LEU  11   3.158  -1.064  -1.935
   93    HA   LEU  11           HA       LEU  11   3.768  -2.519   0.441
   94   1HB   LEU  11          2HB       LEU  11   3.468  -3.155  -2.390
   95   2HB   LEU  11          1HB       LEU  11   4.924  -3.865  -1.725
   96    HG   LEU  11           HG       LEU  11   2.130  -4.286  -0.661
   97   1HD1  LEU  11          1HD1      LEU  11   2.875  -6.700  -1.458
   98   2HD1  LEU  11          2HD1      LEU  11   3.825  -5.753  -2.602
   99   3HD1  LEU  11          3HD1      LEU  11   2.073  -5.563  -2.541
  100   1HD2  LEU  11          1HD2      LEU  11   4.836  -5.161   0.247
  101   2HD2  LEU  11          2HD2      LEU  11   3.443  -6.214   0.502
  102   3HD2  LEU  11          3HD2      LEU  11   3.461  -4.591   1.194
  103    H    VAL  12           H        VAL  12   5.216  -0.784  -2.205
  104    HA   VAL  12           HA       VAL  12   7.908  -1.121  -1.280
  105    HB   VAL  12           HB       VAL  12   6.780   1.049  -3.046
  106   1HG1  VAL  12          1HG1      VAL  12   9.156   1.143  -1.819
  107   2HG1  VAL  12          2HG1      VAL  12   8.880   1.814  -3.426
  108   3HG1  VAL  12          3HG1      VAL  12   9.610   0.218  -3.251
  109   1HG2  VAL  12          1HG2      VAL  12   7.617  -1.731  -3.608
  110   2HG2  VAL  12          2HG2      VAL  12   8.113  -0.500  -4.768
  111   3HG2  VAL  12          3HG2      VAL  12   6.403  -0.729  -4.402
  112    H    LEU  13           H        LEU  13   5.346   1.215  -1.010
  113    HA   LEU  13           HA       LEU  13   6.832   2.752   0.901
  114   1HB   LEU  13          2HB       LEU  13   3.914   3.143   0.604
  115   2HB   LEU  13          1HB       LEU  13   5.188   4.306   0.945
  116    HG   LEU  13           HG       LEU  13   5.313   3.081  -1.734
  117   1HD1  LEU  13          1HD1      LEU  13   3.385   5.258  -1.706
  118   2HD1  LEU  13          2HD1      LEU  13   2.794   3.811  -0.892
  119   3HD1  LEU  13          3HD1      LEU  13   3.343   3.718  -2.565
  120   1HD2  LEU  13          1HD2      LEU  13   6.783   4.905  -0.863
  121   2HD2  LEU  13          2HD2      LEU  13   5.368   5.957  -0.849
  122   3HD2  LEU  13          3HD2      LEU  13   5.952   5.287  -2.371
  123    H    ARG  14           H        ARG  14   5.504  -0.193   0.987
  124    HA   ARG  14           HA       ARG  14   4.040  -0.119   3.363
  125   1HB   ARG  14          2HB       ARG  14   3.727  -2.133   2.255
  126   2HB   ARG  14          1HB       ARG  14   5.425  -2.295   1.862
  127   1HG   ARG  14          2HG       ARG  14   5.582  -2.558   4.517
  128   2HG   ARG  14          1HG       ARG  14   3.943  -3.156   4.257
  129   1HD   ARG  14          2HD       ARG  14   5.169  -5.086   4.008
  130   2HD   ARG  14          1HD       ARG  14   5.054  -4.526   2.341
  131    HE   ARG  14           HE       ARG  14   7.400  -3.593   3.711
  132   1HH1  ARG  14          1HH1      ARG  14   6.018  -6.211   1.861
  133   2HH1  ARG  14          2HH1      ARG  14   7.548  -6.778   1.284
  134   1HH2  ARG  14          1HH2      ARG  14   9.415  -4.339   2.950
  135   2HH2  ARG  14          2HH2      ARG  14   9.477  -5.715   1.902
  136    H    CYS  15           H        CYS  15   7.296  -0.587   2.351
  137    HA   CYS  15           HA       CYS  15   8.491  -0.672   4.996
  138   1HB   CYS  15          2HB       CYS  15   9.263  -1.320   2.319
  139   2HB   CYS  15          1HB       CYS  15  10.409  -0.158   2.960
  140    HG   CYS  15           HG       CYS  15  11.248  -1.839   4.607
  141    H    SER  16           H        SER  16   7.472   1.664   2.746
  142    HA   SER  16           HA       SER  16   8.985   3.750   2.509
  143   1HB   SER  16          2HB       SER  16   6.731   4.148   2.012
  144   2HB   SER  16          1HB       SER  16   6.213   3.792   3.655
  145    HG   SER  16           HG       SER  16   6.435   5.823   4.063
  Start of MODEL    7
    1   1H    GLY   1          1HT       GLY   1  -8.777  -0.040  -2.691
    2   2H    GLY   1          2HT       GLY   1  -9.632   0.282  -4.114
    3   3H    GLY   1          3HT       GLY   1 -10.435   0.286  -2.626
    4   1HA   GLY   1          1HA       GLY   1  -9.184   2.426  -3.934
    5   2HA   GLY   1          2HA       GLY   1 -10.067   2.440  -2.416
    6    H    ARG   2           H        ARG   2  -8.886   1.992  -0.448
    7    HA   ARG   2           HA       ARG   2  -6.032   2.681  -0.695
    8   1HB   ARG   2          2HB       ARG   2  -8.165   3.641   1.122
    9   2HB   ARG   2          1HB       ARG   2  -6.588   3.372   1.854
   10   1HG   ARG   2          2HG       ARG   2  -5.986   5.376   1.142
   11   2HG   ARG   2          1HG       ARG   2  -6.079   4.768  -0.511
   12   1HD   ARG   2          2HD       ARG   2  -8.235   6.151   1.071
   13   2HD   ARG   2          1HD       ARG   2  -7.425   6.733  -0.383
   14    HE   ARG   2           HE       ARG   2  -8.565   4.438  -1.221
   15   1HH1  ARG   2          1HH1      ARG   2  -9.818   7.194   0.520
   16   2HH1  ARG   2          2HH1      ARG   2 -11.414   7.039  -0.130
   17   1HH2  ARG   2          1HH2      ARG   2 -10.672   4.236  -2.077
   18   2HH2  ARG   2          2HH2      ARG   2 -11.900   5.359  -1.600
   19    H    MET   3           H        MET   3  -7.024   0.045  -0.837
   20    HA   MET   3           HA       MET   3  -5.389  -1.205   1.137
   21   1HB   MET   3          2HB       MET   3  -7.157  -2.577   2.177
   22   2HB   MET   3          1HB       MET   3  -7.363  -0.866   2.527
   23   1HG   MET   3          2HG       MET   3  -9.341  -0.772   1.504
   24   2HG   MET   3          1HG       MET   3  -8.790  -1.745   0.142
   25   1HE   MET   3          1HE       MET   3 -12.110  -2.880   2.053
   26   2HE   MET   3          2HE       MET   3 -11.319  -1.306   1.960
   27   3HE   MET   3          3HE       MET   3 -11.277  -2.228   3.463
   28    H    LEU   4           H        LEU   4  -5.401  -1.118  -1.646
   29    HA   LEU   4           HA       LEU   4  -5.108  -3.781  -2.333
   30   1HB   LEU   4          2HB       LEU   4  -7.803  -2.868  -2.516
   31   2HB   LEU   4          1HB       LEU   4  -7.204  -3.243  -4.120
   32    HG   LEU   4           HG       LEU   4  -6.458  -5.377  -2.380
   33   1HD1  LEU   4          1HD1      LEU   4  -8.647  -4.202  -1.293
   34   2HD1  LEU   4          2HD1      LEU   4  -8.265  -5.920  -1.167
   35   3HD1  LEU   4          3HD1      LEU   4  -9.391  -5.355  -2.400
   36   1HD2  LEU   4          1HD2      LEU   4  -8.027  -4.946  -4.846
   37   2HD2  LEU   4          2HD2      LEU   4  -8.334  -6.440  -3.963
   38   3HD2  LEU   4          3HD2      LEU   4  -6.704  -6.066  -4.520
   39    HA   PRO   5           HA       PRO   5  -4.654  -1.088  -6.226
   40   1HB   PRO   5          2HB       PRO   5  -5.732   1.543  -5.504
   41   2HB   PRO   5          1HB       PRO   5  -6.230   0.456  -6.808
   42   1HG   PRO   5          2HG       PRO   5  -7.848   0.847  -4.714
   43   2HG   PRO   5          1HG       PRO   5  -7.651  -0.780  -5.406
   44   1HD   PRO   5          2HD       PRO   5  -6.190   0.400  -3.064
   45   2HD   PRO   5          1HD       PRO   5  -7.177  -1.087  -3.124
   46    H    GLN   6           H        GLN   6  -4.071   0.142  -3.075
   47    HA   GLN   6           HA       GLN   6  -1.650   1.535  -4.000
   48   1HB   GLN   6          2HB       GLN   6  -3.313   1.946  -1.510
   49   2HB   GLN   6          1HB       GLN   6  -1.744   2.697  -1.769
   50   1HG   GLN   6          2HG       GLN   6  -2.711   3.694  -3.876
   51   2HG   GLN   6          1HG       GLN   6  -4.284   3.143  -3.304
   52   1HE2  GLN   6          1HE2      GLN   6  -3.924   3.617  -0.569
   53   2HE2  GLN   6          2HE2      GLN   6  -3.864   5.325  -0.314
   54    H    LEU   7           H        LEU   7  -2.876  -1.164  -2.332
   55    HA   LEU   7           HA       LEU   7  -0.965  -1.645  -0.378
   56   1HB   LEU   7          2HB       LEU   7  -3.084  -2.902  -0.702
   57   2HB   LEU   7          1HB       LEU   7  -2.358  -3.697  -2.085
   58    HG   LEU   7           HG       LEU   7  -0.516  -4.222  -0.133
   59   1HD1  LEU   7          1HD1      LEU   7  -2.254  -5.187   1.644
   60   2HD1  LEU   7          2HD1      LEU   7  -3.141  -3.748   1.142
   61   3HD1  LEU   7          3HD1      LEU   7  -1.513  -3.595   1.800
   62   1HD2  LEU   7          1HD2      LEU   7  -2.819  -6.080  -0.390
   63   2HD2  LEU   7          2HD2      LEU   7  -1.087  -6.401  -0.479
   64   3HD2  LEU   7          3HD2      LEU   7  -1.919  -5.666  -1.850
   65    H    VAL   8           H        VAL   8  -0.705  -1.807  -3.800
   66    HA   VAL   8           HA       VAL   8   1.643  -3.499  -3.783
   67    HB   VAL   8           HB       VAL   8   0.475  -1.966  -6.101
   68   1HG1  VAL   8          1HG1      VAL   8   2.309  -4.360  -6.047
   69   2HG1  VAL   8          2HG1      VAL   8   2.805  -2.702  -6.386
   70   3HG1  VAL   8          3HG1      VAL   8   1.703  -3.535  -7.483
   71   1HG2  VAL   8          1HG2      VAL   8  -0.339  -4.491  -4.810
   72   2HG2  VAL   8          2HG2      VAL   8  -0.247  -4.512  -6.571
   73   3HG2  VAL   8          3HG2      VAL   8  -1.284  -3.340  -5.756
   74    H    CYS   9           H        CYS   9   1.085  -0.353  -5.276
   75    HA   CYS   9           HA       CYS   9   3.747   0.423  -5.377
   76   1HB   CYS   9          2HB       CYS   9   1.788   1.590  -6.495
   77   2HB   CYS   9          1HB       CYS   9   1.436   2.328  -4.936
   78    HG   CYS   9           HG       CYS   9   4.129   3.171  -5.347
   79    H    ARG  10           H        ARG  10   1.371   0.753  -2.758
   80    HA   ARG  10           HA       ARG  10   3.154   2.262  -1.159
   81   1HB   ARG  10          2HB       ARG  10   0.772   2.168  -0.544
   82   2HB   ARG  10          1HB       ARG  10   0.966   0.460  -0.142
   83   1HG   ARG  10          2HG       ARG  10   3.033   1.743   1.243
   84   2HG   ARG  10          1HG       ARG  10   1.619   2.801   1.426
   85   1HD   ARG  10          2HD       ARG  10   1.618  -0.163   1.989
   86   2HD   ARG  10          1HD       ARG  10   1.802   1.092   3.215
   87    HE   ARG  10           HE       ARG  10  -0.568   1.307   1.572
   88   1HH1  ARG  10          1HH1      ARG  10   0.816   0.047   4.521
   89   2HH1  ARG  10          2HH1      ARG  10  -0.711  -0.081   5.327
   90   1HH2  ARG  10          1HH2      ARG  10  -2.573   1.141   2.634
   91   2HH2  ARG  10          2HH2      ARG  10  -2.634   0.542   4.258
   92    H    LEU  11           H        LEU  11   2.541  -1.180  -1.474
   93    HA   LEU  11           HA       LEU  11   3.948  -2.405   0.386
   94   1HB   LEU  11          2HB       LEU  11   3.087  -3.210  -2.036
   95   2HB   LEU  11          1HB       LEU  11   4.814  -3.169  -2.339
   96    HG   LEU  11           HG       LEU  11   4.226  -5.397  -1.714
   97   1HD1  LEU  11          1HD1      LEU  11   6.336  -4.811  -0.851
   98   2HD1  LEU  11          2HD1      LEU  11   5.493  -5.628   0.465
   99   3HD1  LEU  11          3HD1      LEU  11   5.626  -3.869   0.461
  100   1HD2  LEU  11          1HD2      LEU  11   2.631  -4.019   0.368
  101   2HD2  LEU  11          2HD2      LEU  11   3.340  -5.578   0.786
  102   3HD2  LEU  11          3HD2      LEU  11   2.251  -5.446  -0.594
  103    H    VAL  12           H        VAL  12   5.183  -0.583  -2.318
  104    HA   VAL  12           HA       VAL  12   7.884  -0.896  -1.692
  105    HB   VAL  12           HB       VAL  12   6.712   1.608  -2.888
  106   1HG1  VAL  12          1HG1      VAL  12   9.035   1.205  -4.183
  107   2HG1  VAL  12          2HG1      VAL  12   9.420   0.471  -2.627
  108   3HG1  VAL  12          3HG1      VAL  12   8.896   2.153  -2.703
  109   1HG2  VAL  12          1HG2      VAL  12   5.843   0.211  -4.440
  110   2HG2  VAL  12          2HG2      VAL  12   6.949  -1.101  -4.034
  111   3HG2  VAL  12          3HG2      VAL  12   7.493   0.225  -5.061
  112    H    LEU  13           H        LEU  13   5.444   1.419  -0.796
  113    HA   LEU  13           HA       LEU  13   7.181   2.472   1.240
  114   1HB   LEU  13          2HB       LEU  13   4.481   3.504   1.305
  115   2HB   LEU  13          1HB       LEU  13   6.031   4.333   1.373
  116    HG   LEU  13           HG       LEU  13   4.936   3.231  -1.213
  117   1HD1  LEU  13          1HD1      LEU  13   3.740   5.134  -1.655
  118   2HD1  LEU  13          2HD1      LEU  13   4.642   6.105  -0.492
  119   3HD1  LEU  13          3HD1      LEU  13   3.438   4.946   0.073
  120   1HD2  LEU  13          1HD2      LEU  13   6.415   4.955  -2.169
  121   2HD2  LEU  13          2HD2      LEU  13   7.295   3.769  -1.206
  122   3HD2  LEU  13          3HD2      LEU  13   6.956   5.368  -0.542
  123    H    ARG  14           H        ARG  14   5.361  -0.199   1.119
  124    HA   ARG  14           HA       ARG  14   3.905  -0.174   3.502
  125   1HB   ARG  14          2HB       ARG  14   3.548  -2.131   2.261
  126   2HB   ARG  14          1HB       ARG  14   5.259  -2.350   1.931
  127   1HG   ARG  14          2HG       ARG  14   4.565  -2.541   4.763
  128   2HG   ARG  14          1HG       ARG  14   3.808  -3.767   3.746
  129   1HD   ARG  14          2HD       ARG  14   5.823  -4.686   3.119
  130   2HD   ARG  14          1HD       ARG  14   6.713  -3.193   3.409
  131    HE   ARG  14           HE       ARG  14   5.645  -4.337   5.807
  132   1HH1  ARG  14          1HH1      ARG  14   8.305  -4.457   3.551
  133   2HH1  ARG  14          2HH1      ARG  14   9.418  -5.111   4.706
  134   1HH2  ARG  14          1HH2      ARG  14   7.109  -5.200   7.326
  135   2HH2  ARG  14          2HH2      ARG  14   8.738  -5.536   6.847
  136    H    CYS  15           H        CYS  15   7.142  -0.581   2.486
  137    HA   CYS  15           HA       CYS  15   8.339  -0.840   5.123
  138   1HB   CYS  15          2HB       CYS  15   9.057  -1.545   2.528
  139   2HB   CYS  15          1HB       CYS  15  10.101  -0.198   2.882
  140    HG   CYS  15           HG       CYS  15  11.366  -2.281   3.666
  141    H    SER  16           H        SER  16   8.003   1.382   2.457
  142    HA   SER  16           HA       SER  16   9.367   3.491   3.831
  143   1HB   SER  16          2HB       SER  16   9.132   2.894   1.172
  144   2HB   SER  16          1HB       SER  16   8.036   4.264   1.361
  145    HG   SER  16           HG       SER  16   9.734   5.476   1.415
  Start of MODEL    8
    1   1H    GLY   1          1HT       GLY   1 -12.296   2.802  -0.551
    2   2H    GLY   1          2HT       GLY   1 -12.955   1.245  -0.493
    3   3H    GLY   1          3HT       GLY   1 -12.854   2.066  -1.968
    4   1HA   GLY   1          1HA       GLY   1 -11.093   0.242  -1.233
    5   2HA   GLY   1          2HA       GLY   1 -10.691   1.596  -2.278
    6    H    ARG   2           H        ARG   2  -8.984   2.755  -1.702
    7    HA   ARG   2           HA       ARG   2  -7.244   3.573  -0.494
    8   1HB   ARG   2          2HB       ARG   2  -9.638   4.035   1.063
    9   2HB   ARG   2          1HB       ARG   2  -8.247   3.823   2.116
   10   1HG   ARG   2          2HG       ARG   2  -8.585   6.163   1.587
   11   2HG   ARG   2          1HG       ARG   2  -7.059   5.584   0.914
   12   1HD   ARG   2          2HD       ARG   2  -9.490   5.471  -0.795
   13   2HD   ARG   2          1HD       ARG   2  -8.746   7.043  -0.509
   14    HE   ARG   2           HE       ARG   2  -6.672   5.426  -1.242
   15   1HH1  ARG   2          1HH1      ARG   2  -9.729   6.308  -2.679
   16   2HH1  ARG   2          2HH1      ARG   2  -9.154   6.140  -4.304
   17   1HH2  ARG   2          1HH2      ARG   2  -5.916   5.205  -3.378
   18   2HH2  ARG   2          2HH2      ARG   2  -6.990   5.512  -4.700
   19    H    MET   3           H        MET   3  -7.463   0.753  -0.709
   20    HA   MET   3           HA       MET   3  -5.440  -0.104   0.978
   21   1HB   MET   3          2HB       MET   3  -6.720  -1.658   2.481
   22   2HB   MET   3          1HB       MET   3  -6.913   0.048   2.855
   23   1HG   MET   3          2HG       MET   3  -9.107  -0.044   2.552
   24   2HG   MET   3          1HG       MET   3  -8.932  -0.860   1.000
   25   1HE   MET   3          1HE       MET   3 -11.262  -2.659   4.010
   26   2HE   MET   3          2HE       MET   3 -11.262  -1.182   3.045
   27   3HE   MET   3          3HE       MET   3 -10.342  -1.254   4.548
   28    H    LEU   4           H        LEU   4  -5.583  -0.505  -1.568
   29    HA   LEU   4           HA       LEU   4  -5.508  -3.267  -1.917
   30   1HB   LEU   4          2HB       LEU   4  -8.093  -2.191  -2.192
   31   2HB   LEU   4          1HB       LEU   4  -7.537  -2.621  -3.798
   32    HG   LEU   4           HG       LEU   4  -6.892  -4.828  -2.201
   33   1HD1  LEU   4          1HD1      LEU   4  -8.846  -3.440  -0.828
   34   2HD1  LEU   4          2HD1      LEU   4  -8.448  -5.147  -0.642
   35   3HD1  LEU   4          3HD1      LEU   4  -9.749  -4.659  -1.728
   36   1HD2  LEU   4          1HD2      LEU   4  -8.778  -4.162  -4.373
   37   2HD2  LEU   4          2HD2      LEU   4  -9.104  -5.644  -3.473
   38   3HD2  LEU   4          3HD2      LEU   4  -7.551  -5.425  -4.279
   39    HA   PRO   5           HA       PRO   5  -4.654  -1.141  -6.071
   40   1HB   PRO   5          2HB       PRO   5  -5.551   1.629  -5.790
   41   2HB   PRO   5          1HB       PRO   5  -6.112   0.395  -6.925
   42   1HG   PRO   5          2HG       PRO   5  -7.720   1.252  -4.954
   43   2HG   PRO   5          1HG       PRO   5  -7.684  -0.464  -5.417
   44   1HD   PRO   5          2HD       PRO   5  -6.158   0.868  -3.204
   45   2HD   PRO   5          1HD       PRO   5  -7.283  -0.513  -3.104
   46    H    GLN   6           H        GLN   6  -4.064   0.212  -3.049
   47    HA   GLN   6           HA       GLN   6  -1.622   1.572  -3.950
   48   1HB   GLN   6          2HB       GLN   6  -1.748   2.944  -2.035
   49   2HB   GLN   6          1HB       GLN   6  -3.399   2.847  -2.632
   50   1HG   GLN   6          2HG       GLN   6  -3.183   0.737  -0.842
   51   2HG   GLN   6          1HG       GLN   6  -2.312   2.066  -0.077
   52   1HE2  GLN   6          1HE2      GLN   6  -3.539   3.180   1.245
   53   2HE2  GLN   6          2HE2      GLN   6  -5.219   3.528   1.038
   54    H    LEU   7           H        LEU   7  -2.871  -1.137  -2.294
   55    HA   LEU   7           HA       LEU   7  -0.962  -1.702  -0.382
   56   1HB   LEU   7          2HB       LEU   7  -3.091  -2.936  -0.764
   57   2HB   LEU   7          1HB       LEU   7  -2.347  -3.708  -2.150
   58    HG   LEU   7           HG       LEU   7  -0.531  -4.332  -0.252
   59   1HD1  LEU   7          1HD1      LEU   7  -2.240  -5.174   1.617
   60   2HD1  LEU   7          2HD1      LEU   7  -3.062  -3.690   1.136
   61   3HD1  LEU   7          3HD1      LEU   7  -1.398  -3.628   1.718
   62   1HD2  LEU   7          1HD2      LEU   7  -2.917  -6.082  -0.331
   63   2HD2  LEU   7          2HD2      LEU   7  -1.216  -6.468  -0.592
   64   3HD2  LEU   7          3HD2      LEU   7  -2.153  -5.698  -1.874
   65    H    VAL   8           H        VAL   8  -0.695  -1.815  -3.811
   66    HA   VAL   8           HA       VAL   8   1.659  -3.498  -3.797
   67    HB   VAL   8           HB       VAL   8   0.494  -1.963  -6.114
   68   1HG1  VAL   8          1HG1      VAL   8   1.675  -4.121  -7.192
   69   2HG1  VAL   8          2HG1      VAL   8   2.714  -3.879  -5.788
   70   3HG1  VAL   8          3HG1      VAL   8   2.499  -2.579  -6.958
   71   1HG2  VAL   8          1HG2      VAL   8  -0.225  -4.508  -6.590
   72   2HG2  VAL   8          2HG2      VAL   8  -1.266  -3.341  -5.774
   73   3HG2  VAL   8          3HG2      VAL   8  -0.320  -4.491  -4.829
   74    H    CYS   9           H        CYS   9   1.078  -0.344  -5.266
   75    HA   CYS   9           HA       CYS   9   3.737   0.448  -5.368
   76   1HB   CYS   9          2HB       CYS   9   1.123   1.845  -5.479
   77   2HB   CYS   9          1HB       CYS   9   2.505   2.847  -5.046
   78    HG   CYS   9           HG       CYS   9   1.907   2.529  -7.739
   79    H    ARG  10           H        ARG  10   1.369   0.738  -2.741
   80    HA   ARG  10           HA       ARG  10   3.142   2.248  -1.136
   81   1HB   ARG  10          2HB       ARG  10   0.768   2.134  -0.509
   82   2HB   ARG  10          1HB       ARG  10   0.969   0.421  -0.130
   83   1HG   ARG  10          2HG       ARG  10   3.039   1.744   1.250
   84   2HG   ARG  10          1HG       ARG  10   1.580   2.727   1.485
   85   1HD   ARG  10          2HD       ARG  10   1.706  -0.250   1.951
   86   2HD   ARG  10          1HD       ARG  10   1.904   0.962   3.216
   87    HE   ARG  10           HE       ARG  10  -0.532   1.200   1.690
   88   1HH1  ARG  10          1HH1      ARG  10   0.996  -0.226   4.486
   89   2HH1  ARG  10          2HH1      ARG  10  -0.494  -0.462   5.335
   90   1HH2  ARG  10          1HH2      ARG  10  -2.492   0.889   2.804
   91   2HH2  ARG  10          2HH2      ARG  10  -2.475   0.168   4.380
   92    H    LEU  11           H        LEU  11   2.540  -1.196  -1.455
   93    HA   LEU  11           HA       LEU  11   3.962  -2.437   0.373
   94   1HB   LEU  11          2HB       LEU  11   3.091  -3.234  -2.034
   95   2HB   LEU  11          1HB       LEU  11   4.805  -3.137  -2.383
   96    HG   LEU  11           HG       LEU  11   4.069  -5.408  -1.732
   97   1HD1  LEU  11          1HD1      LEU  11   6.010  -4.016   0.101
   98   2HD1  LEU  11          2HD1      LEU  11   6.371  -4.851  -1.409
   99   3HD1  LEU  11          3HD1      LEU  11   5.825  -5.767  -0.004
  100   1HD2  LEU  11          1HD2      LEU  11   3.841  -4.626   1.107
  101   2HD2  LEU  11          2HD2      LEU  11   3.017  -5.900   0.208
  102   3HD2  LEU  11          3HD2      LEU  11   2.472  -4.228   0.068
  103    H    VAL  12           H        VAL  12   5.187  -0.587  -2.314
  104    HA   VAL  12           HA       VAL  12   7.889  -0.889  -1.684
  105    HB   VAL  12           HB       VAL  12   6.650   1.568  -2.918
  106   1HG1  VAL  12          1HG1      VAL  12   8.964   1.526  -4.101
  107   2HG1  VAL  12          2HG1      VAL  12   9.439   0.510  -2.739
  108   3HG1  VAL  12          3HG1      VAL  12   8.839   2.144  -2.454
  109   1HG2  VAL  12          1HG2      VAL  12   6.341  -0.910  -3.942
  110   2HG2  VAL  12          2HG2      VAL  12   7.873  -0.448  -4.682
  111   3HG2  VAL  12          3HG2      VAL  12   6.442   0.552  -4.921
  112    H    LEU  13           H        LEU  13   5.445   1.430  -0.799
  113    HA   LEU  13           HA       LEU  13   7.176   2.476   1.244
  114   1HB   LEU  13          2HB       LEU  13   4.491   3.539   1.290
  115   2HB   LEU  13          1HB       LEU  13   6.052   4.349   1.351
  116    HG   LEU  13           HG       LEU  13   4.843   3.264  -1.199
  117   1HD1  LEU  13          1HD1      LEU  13   4.514   5.802  -1.609
  118   2HD1  LEU  13          2HD1      LEU  13   4.530   5.911   0.152
  119   3HD1  LEU  13          3HD1      LEU  13   3.320   4.917  -0.660
  120   1HD2  LEU  13          1HD2      LEU  13   6.475   4.843  -2.220
  121   2HD2  LEU  13          2HD2      LEU  13   7.221   3.509  -1.339
  122   3HD2  LEU  13          3HD2      LEU  13   7.147   5.115  -0.611
  123    H    ARG  14           H        ARG  14   5.339  -0.181   1.126
  124    HA   ARG  14           HA       ARG  14   3.876  -0.120   3.510
  125   1HB   ARG  14          2HB       ARG  14   3.525  -2.054   2.184
  126   2HB   ARG  14          1HB       ARG  14   5.249  -2.353   2.013
  127   1HG   ARG  14          2HG       ARG  14   3.995  -2.503   4.712
  128   2HG   ARG  14          1HG       ARG  14   3.796  -3.841   3.578
  129   1HD   ARG  14          2HD       ARG  14   6.539  -2.991   3.631
  130   2HD   ARG  14          1HD       ARG  14   5.980  -3.321   5.270
  131    HE   ARG  14           HE       ARG  14   6.386  -5.228   3.150
  132   1HH1  ARG  14          1HH1      ARG  14   4.754  -4.588   6.168
  133   2HH1  ARG  14          2HH1      ARG  14   4.550  -6.263   6.556
  134   1HH2  ARG  14          1HH2      ARG  14   6.115  -7.431   3.659
  135   2HH2  ARG  14          2HH2      ARG  14   5.321  -7.878   5.131
  136    H    CYS  15           H        CYS  15   7.104  -0.574   2.483
  137    HA   CYS  15           HA       CYS  15   8.304  -0.847   5.119
  138   1HB   CYS  15          2HB       CYS  15   9.002  -1.549   2.503
  139   2HB   CYS  15          1HB       CYS  15  10.096  -0.254   2.902
  140    HG   CYS  15           HG       CYS  15  10.416  -2.011   5.153
  141    H    SER  16           H        SER  16   7.985   1.368   2.446
  142    HA   SER  16           HA       SER  16   9.385   3.468   3.802
  143   1HB   SER  16          2HB       SER  16   9.133   2.854   1.145
  144   2HB   SER  16          1HB       SER  16   8.068   4.248   1.331
  145    HG   SER  16           HG       SER  16   9.886   5.300   2.367
  Start of MODEL    9
    1   1H    GLY   1          1HT       GLY   1 -11.242  -0.263  -4.593
    2   2H    GLY   1          2HT       GLY   1 -10.711  -0.372  -2.992
    3   3H    GLY   1          3HT       GLY   1  -9.589  -0.390  -4.257
    4   1HA   GLY   1          1HA       GLY   1 -10.441   1.898  -4.866
    5   2HA   GLY   1          2HA       GLY   1 -11.223   1.879  -3.293
    6    H    ARG   2           H        ARG   2 -10.003   2.112  -1.439
    7    HA   ARG   2           HA       ARG   2  -7.214   2.929  -1.897
    8   1HB   ARG   2          2HB       ARG   2  -8.926   3.646   0.481
    9   2HB   ARG   2          1HB       ARG   2  -7.400   4.373  -0.002
   10   1HG   ARG   2          2HG       ARG   2  -9.476   4.539  -2.049
   11   2HG   ARG   2          1HG       ARG   2  -9.882   5.372  -0.547
   12   1HD   ARG   2          2HD       ARG   2  -8.772   6.925  -1.995
   13   2HD   ARG   2          1HD       ARG   2  -7.685   6.529  -0.665
   14    HE   ARG   2           HE       ARG   2  -6.949   4.779  -2.581
   15   1HH1  ARG   2          1HH1      ARG   2  -7.400   8.240  -2.585
   16   2HH1  ARG   2          2HH1      ARG   2  -6.203   8.520  -3.805
   17   1HH2  ARG   2          1HH2      ARG   2  -5.374   5.145  -4.185
   18   2HH2  ARG   2          2HH2      ARG   2  -5.054   6.764  -4.714
   19    H    MET   3           H        MET   3  -7.821   0.204  -1.655
   20    HA   MET   3           HA       MET   3  -6.050  -0.528   0.453
   21   1HB   MET   3          2HB       MET   3  -7.688  -2.025   1.637
   22   2HB   MET   3          1HB       MET   3  -7.946  -0.304   1.888
   23   1HG   MET   3          2HG       MET   3  -9.637  -0.480  -0.030
   24   2HG   MET   3          1HG       MET   3  -9.544  -2.219   0.236
   25   1HE   MET   3          1HE       MET   3  -9.047  -1.640   3.761
   26   2HE   MET   3          2HE       MET   3  -9.467  -3.055   2.797
   27   3HE   MET   3          3HE       MET   3 -10.593  -2.451   4.013
   28    H    LEU   4           H        LEU   4  -5.627  -0.981  -2.081
   29    HA   LEU   4           HA       LEU   4  -5.259  -3.690  -2.351
   30   1HB   LEU   4          2HB       LEU   4  -7.920  -3.083  -2.836
   31   2HB   LEU   4          1HB       LEU   4  -7.210  -3.270  -4.427
   32    HG   LEU   4           HG       LEU   4  -6.296  -5.452  -2.872
   33   1HD1  LEU   4          1HD1      LEU   4  -8.006  -5.250  -1.279
   34   2HD1  LEU   4          2HD1      LEU   4  -8.576  -6.479  -2.409
   35   3HD1  LEU   4          3HD1      LEU   4  -9.210  -4.835  -2.499
   36   1HD2  LEU   4          1HD2      LEU   4  -8.532  -5.791  -4.787
   37   2HD2  LEU   4          2HD2      LEU   4  -7.005  -6.662  -4.660
   38   3HD2  LEU   4          3HD2      LEU   4  -7.047  -5.060  -5.394
   39    HA   PRO   5           HA       PRO   5  -4.321  -1.558  -6.503
   40   1HB   PRO   5          2HB       PRO   5  -5.510   1.115  -6.300
   41   2HB   PRO   5          1HB       PRO   5  -5.820  -0.153  -7.495
   42   1HG   PRO   5          2HG       PRO   5  -7.705   0.477  -5.704
   43   2HG   PRO   5          1HG       PRO   5  -7.406  -1.223  -6.132
   44   1HD   PRO   5          2HD       PRO   5  -6.276   0.300  -3.806
   45   2HD   PRO   5          1HD       PRO   5  -7.236  -1.205  -3.789
   46    H    GLN   6           H        GLN   6  -4.173   0.082  -3.498
   47    HA   GLN   6           HA       GLN   6  -1.725   1.507  -4.279
   48   1HB   GLN   6          2HB       GLN   6  -3.554   2.876  -3.280
   49   2HB   GLN   6          1HB       GLN   6  -3.446   1.905  -1.820
   50   1HG   GLN   6          2HG       GLN   6  -0.939   2.634  -1.876
   51   2HG   GLN   6          1HG       GLN   6  -1.554   3.938  -2.891
   52   1HE2  GLN   6          1HE2      GLN   6  -1.643   2.481   0.275
   53   2HE2  GLN   6          2HE2      GLN   6  -2.332   3.835   1.097
   54    H    LEU   7           H        LEU   7  -2.990  -1.132  -2.513
   55    HA   LEU   7           HA       LEU   7  -1.156  -1.427  -0.441
   56   1HB   LEU   7          2HB       LEU   7  -3.306  -2.745  -0.976
   57   2HB   LEU   7          1HB       LEU   7  -2.270  -3.756  -1.964
   58    HG   LEU   7           HG       LEU   7  -1.400  -3.302   0.835
   59   1HD1  LEU   7          1HD1      LEU   7  -2.965  -5.436   1.242
   60   2HD1  LEU   7          2HD1      LEU   7  -3.970  -4.553   0.092
   61   3HD1  LEU   7          3HD1      LEU   7  -3.471  -3.785   1.600
   62   1HD2  LEU   7          1HD2      LEU   7  -1.187  -5.926   0.382
   63   2HD2  LEU   7          2HD2      LEU   7   0.030  -4.762  -0.143
   64   3HD2  LEU   7          3HD2      LEU   7  -1.179  -5.353  -1.286
   65    H    VAL   8           H        VAL   8  -0.752  -1.798  -3.821
   66    HA   VAL   8           HA       VAL   8   1.591  -3.481  -3.629
   67    HB   VAL   8           HB       VAL   8   0.538  -2.035  -6.051
   68   1HG1  VAL   8          1HG1      VAL   8   2.067  -3.139  -7.289
   69   2HG1  VAL   8          2HG1      VAL   8   1.980  -4.593  -6.294
   70   3HG1  VAL   8          3HG1      VAL   8   2.944  -3.216  -5.760
   71   1HG2  VAL   8          1HG2      VAL   8  -0.330  -4.547  -4.735
   72   2HG2  VAL   8          2HG2      VAL   8  -0.251  -4.533  -6.498
   73   3HG2  VAL   8          3HG2      VAL   8  -1.265  -3.364  -5.650
   74    H    CYS   9           H        CYS   9   1.033  -0.365  -5.186
   75    HA   CYS   9           HA       CYS   9   3.683   0.437  -5.311
   76   1HB   CYS   9          2HB       CYS   9   1.710   1.597  -6.401
   77   2HB   CYS   9          1HB       CYS   9   1.352   2.313  -4.833
   78    HG   CYS   9           HG       CYS   9   4.081   2.908  -6.189
   79    H    ARG  10           H        ARG  10   1.349   0.684  -2.657
   80    HA   ARG  10           HA       ARG  10   3.119   2.214  -1.058
   81   1HB   ARG  10          2HB       ARG  10   0.800   2.139  -0.363
   82   2HB   ARG  10          1HB       ARG  10   0.908   0.393  -0.130
   83   1HG   ARG  10          2HG       ARG  10   3.038   1.662   1.329
   84   2HG   ARG  10          1HG       ARG  10   1.487   2.432   1.740
   85   1HD   ARG  10          2HD       ARG  10   1.640  -0.546   1.631
   86   2HD   ARG  10          1HD       ARG  10   2.311   0.296   3.028
   87    HE   ARG  10           HE       ARG  10  -0.472  -0.008   2.347
   88   1HH1  ARG  10          1HH1      ARG  10   1.862   1.841   4.168
   89   2HH1  ARG  10          2HH1      ARG  10   0.701   2.409   5.319
   90   1HH2  ARG  10          1HH2      ARG  10  -2.002   0.739   3.861
   91   2HH2  ARG  10          2HH2      ARG  10  -1.492   1.784   5.146
   92    H    LEU  11           H        LEU  11   2.573  -1.228  -1.441
   93    HA   LEU  11           HA       LEU  11   4.008  -2.462   0.388
   94   1HB   LEU  11          2HB       LEU  11   3.113  -3.285  -1.981
   95   2HB   LEU  11          1HB       LEU  11   4.809  -3.124  -2.397
   96    HG   LEU  11           HG       LEU  11   4.438  -5.397  -1.799
   97   1HD1  LEU  11          1HD1      LEU  11   6.393  -3.962  -0.721
   98   2HD1  LEU  11          2HD1      LEU  11   6.178  -5.675  -0.365
   99   3HD1  LEU  11          3HD1      LEU  11   5.587  -4.459   0.767
  100   1HD2  LEU  11          1HD2      LEU  11   3.690  -5.609   0.796
  101   2HD2  LEU  11          2HD2      LEU  11   2.585  -5.734  -0.572
  102   3HD2  LEU  11          3HD2      LEU  11   2.751  -4.205   0.290
  103    H    VAL  12           H        VAL  12   5.189  -0.579  -2.294
  104    HA   VAL  12           HA       VAL  12   7.903  -0.845  -1.700
  105    HB   VAL  12           HB       VAL  12   6.608   1.609  -2.882
  106   1HG1  VAL  12          1HG1      VAL  12   8.812   1.866  -4.015
  107   2HG1  VAL  12          2HG1      VAL  12   9.418   0.529  -3.038
  108   3HG1  VAL  12          3HG1      VAL  12   8.888   2.020  -2.260
  109   1HG2  VAL  12          1HG2      VAL  12   5.866  -0.197  -4.225
  110   2HG2  VAL  12          2HG2      VAL  12   7.458  -0.955  -4.210
  111   3HG2  VAL  12          3HG2      VAL  12   7.206   0.551  -5.094
  112    H    LEU  13           H        LEU  13   5.423   1.406  -0.754
  113    HA   LEU  13           HA       LEU  13   7.154   2.497   1.260
  114   1HB   LEU  13          2HB       LEU  13   4.394   3.372   1.389
  115   2HB   LEU  13          1HB       LEU  13   5.897   4.285   1.482
  116    HG   LEU  13           HG       LEU  13   4.844   3.204  -1.131
  117   1HD1  LEU  13          1HD1      LEU  13   3.546   5.045  -1.502
  118   2HD1  LEU  13          2HD1      LEU  13   4.443   6.047  -0.360
  119   3HD1  LEU  13          3HD1      LEU  13   3.302   4.839   0.233
  120   1HD2  LEU  13          1HD2      LEU  13   6.215   5.155  -1.969
  121   2HD2  LEU  13          2HD2      LEU  13   7.123   3.812  -1.274
  122   3HD2  LEU  13          3HD2      LEU  13   6.866   5.283  -0.335
  123    H    ARG  14           H        ARG  14   5.462  -0.265   1.140
  124    HA   ARG  14           HA       ARG  14   4.064  -0.359   3.551
  125   1HB   ARG  14          2HB       ARG  14   5.159  -2.320   1.713
  126   2HB   ARG  14          1HB       ARG  14   5.435  -2.815   3.369
  127   1HG   ARG  14          2HG       ARG  14   2.765  -1.915   3.213
  128   2HG   ARG  14          1HG       ARG  14   3.042  -2.980   1.835
  129   1HD   ARG  14          2HD       ARG  14   2.298  -4.348   3.624
  130   2HD   ARG  14          1HD       ARG  14   4.028  -4.637   3.443
  131    HE   ARG  14           HE       ARG  14   3.486  -2.608   5.368
  132   1HH1  ARG  14          1HH1      ARG  14   3.542  -6.065   4.894
  133   2HH1  ARG  14          2HH1      ARG  14   3.818  -6.415   6.567
  134   1HH2  ARG  14          1HH2      ARG  14   3.849  -3.067   7.569
  135   2HH2  ARG  14          2HH2      ARG  14   3.993  -4.714   8.086
  136    H    CYS  15           H        CYS  15   7.299  -0.593   2.474
  137    HA   CYS  15           HA       CYS  15   8.567  -0.795   5.079
  138   1HB   CYS  15          2HB       CYS  15   9.263  -1.425   2.463
  139   2HB   CYS  15          1HB       CYS  15  10.229  -0.015   2.802
  140    HG   CYS  15           HG       CYS  15  10.415  -2.445   4.726
  141    H    SER  16           H        SER  16   8.069   1.443   2.449
  142    HA   SER  16           HA       SER  16   9.337   3.603   3.829
  143   1HB   SER  16          2HB       SER  16   9.069   3.041   1.168
  144   2HB   SER  16          1HB       SER  16   7.898   4.337   1.407
  145    HG   SER  16           HG       SER  16  10.674   4.373   1.638
  Start of MODEL   10
    1   1H    GLY   1          1HT       GLY   1 -11.781   2.761  -1.740
    2   2H    GLY   1          2HT       GLY   1 -10.689   3.665  -0.817
    3   3H    GLY   1          3HT       GLY   1 -11.155   2.122  -0.303
    4   1HA   GLY   1          1HA       GLY   1  -9.874   1.035  -1.845
    5   2HA   GLY   1          2HA       GLY   1  -9.873   2.420  -2.927
    6    H    ARG   2           H        ARG   2  -9.193   2.638   0.505
    7    HA   ARG   2           HA       ARG   2  -6.500   3.581  -0.156
    8   1HB   ARG   2          2HB       ARG   2  -8.249   3.922   2.276
    9   2HB   ARG   2          1HB       ARG   2  -6.550   4.370   2.271
   10   1HG   ARG   2          2HG       ARG   2  -7.794   6.338   1.847
   11   2HG   ARG   2          1HG       ARG   2  -7.041   5.866   0.323
   12   1HD   ARG   2          2HD       ARG   2  -9.627   4.628   0.608
   13   2HD   ARG   2          1HD       ARG   2  -9.752   6.376   0.800
   14    HE   ARG   2           HE       ARG   2  -9.079   4.927  -1.605
   15   1HH1  ARG   2          1HH1      ARG   2  -8.975   8.005   0.043
   16   2HH1  ARG   2          2HH1      ARG   2  -8.840   8.922  -1.418
   17   1HH2  ARG   2          1HH2      ARG   2  -8.901   6.135  -3.526
   18   2HH2  ARG   2          2HH2      ARG   2  -8.798   7.863  -3.444
   19    H    MET   3           H        MET   3  -6.957   0.815  -0.290
   20    HA   MET   3           HA       MET   3  -4.812  -0.182   1.204
   21   1HB   MET   3          2HB       MET   3  -6.128  -1.758   2.689
   22   2HB   MET   3          1HB       MET   3  -6.122  -0.068   3.177
   23   1HG   MET   3          2HG       MET   3  -8.343  -0.851   1.424
   24   2HG   MET   3          1HG       MET   3  -8.331  -1.613   3.013
   25   1HE   MET   3          1HE       MET   3 -10.035  -0.897   4.231
   26   2HE   MET   3          2HE       MET   3 -10.969   0.105   3.120
   27   3HE   MET   3          3HE       MET   3 -10.496   0.740   4.696
   28    H    LEU   4           H        LEU   4  -5.750  -0.272  -1.445
   29    HA   LEU   4           HA       LEU   4  -5.644  -3.098  -1.903
   30   1HB   LEU   4          2HB       LEU   4  -7.770  -1.976  -3.534
   31   2HB   LEU   4          1HB       LEU   4  -7.685  -3.524  -2.719
   32    HG   LEU   4           HG       LEU   4  -8.185  -1.080  -1.076
   33   1HD1  LEU   4          1HD1      LEU   4 -10.595  -1.304  -1.477
   34   2HD1  LEU   4          2HD1      LEU   4 -10.263  -2.475  -2.753
   35   3HD1  LEU   4          3HD1      LEU   4  -9.721  -0.806  -2.926
   36   1HD2  LEU   4          1HD2      LEU   4  -9.713  -3.545  -0.670
   37   2HD2  LEU   4          2HD2      LEU   4  -8.823  -2.555   0.487
   38   3HD2  LEU   4          3HD2      LEU   4  -7.967  -3.737  -0.504
   39    HA   PRO   5           HA       PRO   5  -4.891  -0.834  -5.999
   40   1HB   PRO   5          2HB       PRO   5  -5.577   1.975  -5.538
   41   2HB   PRO   5          1HB       PRO   5  -6.270   0.841  -6.706
   42   1HG   PRO   5          2HG       PRO   5  -7.730   1.682  -4.622
   43   2HG   PRO   5          1HG       PRO   5  -7.810  -0.012  -5.156
   44   1HD   PRO   5          2HD       PRO   5  -6.102   1.142  -2.975
   45   2HD   PRO   5          1HD       PRO   5  -7.299  -0.177  -2.866
   46    H    GLN   6           H        GLN   6  -4.039   0.474  -2.975
   47    HA   GLN   6           HA       GLN   6  -1.529   1.572  -4.043
   48   1HB   GLN   6          2HB       GLN   6  -2.523   2.091  -1.258
   49   2HB   GLN   6          1HB       GLN   6  -1.417   3.049  -2.233
   50   1HG   GLN   6          2HG       GLN   6  -3.543   3.327  -3.761
   51   2HG   GLN   6          1HG       GLN   6  -4.384   2.963  -2.255
   52   1HE2  GLN   6          1HE2      GLN   6  -4.535   4.494  -0.715
   53   2HE2  GLN   6          2HE2      GLN   6  -3.868   6.083  -0.846
   54    H    LEU   7           H        LEU   7  -2.922  -0.991  -2.290
   55    HA   LEU   7           HA       LEU   7  -1.069  -1.671  -0.383
   56   1HB   LEU   7          2HB       LEU   7  -3.267  -2.819  -1.020
   57   2HB   LEU   7          1HB       LEU   7  -2.320  -3.716  -2.190
   58    HG   LEU   7           HG       LEU   7  -0.920  -4.601  -0.356
   59   1HD1  LEU   7          1HD1      LEU   7  -2.236  -4.291   1.951
   60   2HD1  LEU   7          2HD1      LEU   7  -2.583  -2.728   1.210
   61   3HD1  LEU   7          3HD1      LEU   7  -0.912  -3.240   1.449
   62   1HD2  LEU   7          1HD2      LEU   7  -3.668  -5.240   0.523
   63   2HD2  LEU   7          2HD2      LEU   7  -2.346  -6.310   0.057
   64   3HD2  LEU   7          3HD2      LEU   7  -3.301  -5.496  -1.182
   65    H    VAL   8           H        VAL   8  -0.749  -1.829  -3.821
   66    HA   VAL   8           HA       VAL   8   1.595  -3.521  -3.742
   67    HB   VAL   8           HB       VAL   8   0.486  -2.004  -6.099
   68   1HG1  VAL   8          1HG1      VAL   8   2.689  -3.927  -5.713
   69   2HG1  VAL   8          2HG1      VAL   8   2.495  -2.646  -6.909
   70   3HG1  VAL   8          3HG1      VAL   8   1.669  -4.188  -7.127
   71   1HG2  VAL   8          1HG2      VAL   8  -0.233  -4.565  -6.545
   72   2HG2  VAL   8          2HG2      VAL   8  -1.288  -3.365  -5.799
   73   3HG2  VAL   8          3HG2      VAL   8  -0.386  -4.495  -4.789
   74    H    CYS   9           H        CYS   9   1.074  -0.384  -5.268
   75    HA   CYS   9           HA       CYS   9   3.732   0.394  -5.359
   76   1HB   CYS   9          2HB       CYS   9   1.148   1.914  -5.302
   77   2HB   CYS   9          1HB       CYS   9   2.660   2.803  -5.151
   78    HG   CYS   9           HG       CYS   9   1.564   2.201  -7.705
   79    H    ARG  10           H        ARG  10   1.390   0.623  -2.735
   80    HA   ARG  10           HA       ARG  10   3.092   2.160  -1.087
   81   1HB   ARG  10          2HB       ARG  10   0.730   1.939  -0.477
   82   2HB   ARG  10          1HB       ARG  10   0.978   0.218  -0.176
   83   1HG   ARG  10          2HG       ARG  10   2.030   0.568   1.791
   84   2HG   ARG  10          1HG       ARG  10   2.836   2.048   1.233
   85   1HD   ARG  10          2HD       ARG  10   1.324   2.866   2.794
   86   2HD   ARG  10          1HD       ARG  10   0.410   3.029   1.293
   87    HE   ARG  10           HE       ARG  10  -0.349   0.606   2.142
   88   1HH1  ARG  10          1HH1      ARG  10  -0.160   3.682   3.786
   89   2HH1  ARG  10          2HH1      ARG  10  -1.464   3.326   4.867
   90   1HH2  ARG  10          1HH2      ARG  10  -2.067   0.139   3.563
   91   2HH2  ARG  10          2HH2      ARG  10  -2.547   1.316   4.741
   92    H    LEU  11           H        LEU  11   2.602  -1.300  -1.449
   93    HA   LEU  11           HA       LEU  11   4.079  -2.512   0.356
   94   1HB   LEU  11          2HB       LEU  11   3.194  -3.355  -2.003
   95   2HB   LEU  11          1HB       LEU  11   4.875  -3.125  -2.449
   96    HG   LEU  11           HG       LEU  11   4.542  -5.427  -1.850
   97   1HD1  LEU  11          1HD1      LEU  11   6.355  -5.687  -0.469
   98   2HD1  LEU  11          2HD1      LEU  11   5.878  -4.358   0.589
   99   3HD1  LEU  11          3HD1      LEU  11   6.575  -4.017  -0.995
  100   1HD2  LEU  11          1HD2      LEU  11   2.526  -5.068  -0.460
  101   2HD2  LEU  11          2HD2      LEU  11   3.561  -4.456   0.830
  102   3HD2  LEU  11          3HD2      LEU  11   3.711  -6.131   0.299
  103    H    VAL  12           H        VAL  12   5.219  -0.601  -2.326
  104    HA   VAL  12           HA       VAL  12   7.939  -0.805  -1.711
  105    HB   VAL  12           HB       VAL  12   6.607   1.623  -2.910
  106   1HG1  VAL  12          1HG1      VAL  12   8.985   1.468  -4.136
  107   2HG1  VAL  12          2HG1      VAL  12   9.405   0.733  -2.589
  108   3HG1  VAL  12          3HG1      VAL  12   8.728   2.361  -2.636
  109   1HG2  VAL  12          1HG2      VAL  12   6.377  -0.865  -3.959
  110   2HG2  VAL  12          2HG2      VAL  12   7.867  -0.316  -4.726
  111   3HG2  VAL  12          3HG2      VAL  12   6.384   0.619  -4.913
  112    H    LEU  13           H        LEU  13   5.404   1.400  -0.790
  113    HA   LEU  13           HA       LEU  13   7.088   2.511   1.254
  114   1HB   LEU  13          2HB       LEU  13   4.349   3.429   1.314
  115   2HB   LEU  13          1HB       LEU  13   5.865   4.318   1.402
  116    HG   LEU  13           HG       LEU  13   4.773   3.209  -1.187
  117   1HD1  LEU  13          1HD1      LEU  13   4.336   5.836  -1.421
  118   2HD1  LEU  13          2HD1      LEU  13   4.045   5.651   0.308
  119   3HD1  LEU  13          3HD1      LEU  13   3.111   4.704  -0.850
  120   1HD2  LEU  13          1HD2      LEU  13   6.265   5.000  -2.113
  121   2HD2  LEU  13          2HD2      LEU  13   7.104   3.674  -1.310
  122   3HD2  LEU  13          3HD2      LEU  13   6.902   5.218  -0.483
  123    H    ARG  14           H        ARG  14   5.382  -0.234   1.119
  124    HA   ARG  14           HA       ARG  14   3.939  -0.266   3.516
  125   1HB   ARG  14          2HB       ARG  14   3.654  -2.210   2.202
  126   2HB   ARG  14          1HB       ARG  14   5.382  -2.408   1.960
  127   1HG   ARG  14          2HG       ARG  14   4.592  -2.592   4.756
  128   2HG   ARG  14          1HG       ARG  14   3.830  -3.809   3.730
  129   1HD   ARG  14          2HD       ARG  14   5.799  -4.840   3.256
  130   2HD   ARG  14          1HD       ARG  14   6.727  -3.344   3.341
  131    HE   ARG  14           HE       ARG  14   5.728  -4.227   5.886
  132   1HH1  ARG  14          1HH1      ARG  14   8.329  -4.520   3.578
  133   2HH1  ARG  14          2HH1      ARG  14   9.486  -5.033   4.759
  134   1HH2  ARG  14          1HH2      ARG  14   7.249  -4.901   7.442
  135   2HH2  ARG  14          2HH2      ARG  14   8.873  -5.250   6.953
  136    H    CYS  15           H        CYS  15   7.176  -0.552   2.459
  137    HA   CYS  15           HA       CYS  15   8.408  -0.797   5.082
  138   1HB   CYS  15          2HB       CYS  15   9.123  -1.428   2.453
  139   2HB   CYS  15          1HB       CYS  15  10.152  -0.083   2.862
  140    HG   CYS  15           HG       CYS  15  11.246  -1.484   4.708
  141    H    SER  16           H        SER  16   7.963   1.435   2.440
  142    HA   SER  16           HA       SER  16   9.263   3.585   3.819
  143   1HB   SER  16          2HB       SER  16   9.023   2.999   1.155
  144   2HB   SER  16          1HB       SER  16   7.885   4.330   1.369
  145    HG   SER  16           HG       SER  16  10.653   4.294   1.595