*HEADER    SURFACE ACTIVE PROTEIN                  11-NOV-03   1RG4              
*TITLE     SP-B C-TERMINAL PEPTIDE IN ORGANIC SOLVENT (HFIP)                     
*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 1RG4    0                                                
--------------------------------------

hfip_constraints.tblht??0??0?mBIN???=! NOE derived distance restraints
! Sequential 
assign (resid   1 and name  HA#) (resid   2 and name   HN) 5.0 3.2 1.0 ! peak:  447 volume:    0.00 intensity:    8.16 occur:1.0 {?}
assign (resid   2 and name   HN) (resid   3 and name   HN) 5.0 3.2 0.0 ! peak:   74 volume:    0.00 intensity:    0.99 occur:2.0 {?}
assign (resid   2 and name  HG#) (resid   3 and name   HN) 5.0 3.2 1.0 ! peak:   90 volume:    0.00 intensity:    0.84 occur:2.0 {?}
assign (resid   2 and name   HA) (resid   3 and name   HN) 5.0 3.2 0.0 ! peak:   94 volume:    0.00 intensity:    4.03 occur:2.0 {?}
assign (resid   2 and name  HB#) (resid   3 and name   HN) 5.0 3.2 1.0 ! peak:   95 volume:    0.00 intensity:    0.62 occur:1.0 {?}
assign (resid   2 and name   HA) (resid   3 and name  HB#) 5.0 3.2 1.0 ! peak:  106 volume:    0.00 intensity:    0.75 occur:2.0 {?}
assign (resid   2 and name   HA) (resid   3 and name  HG#) 5.0 3.2 1.0 ! peak:  110 volume:    0.00 intensity:    0.40 occur:1.0 {?}
assign (resid   2 and name  HD#) (resid   3 and name   HN) 5.0 3.2 1.0 ! peak:  451 volume:    0.00 intensity:    0.10 occur:2.0 {?}
assign (resid   3 and name   HA) (resid   4 and name   HN) 5.0 3.2 0.0 ! peak:   49 volume:    0.00 intensity:    4.80 occur:3.0 {?}
assign (resid   3 and name   HN) (resid   4 and name   HN) 5.0 3.2 0.0 ! peak:   54 volume:    0.00 intensity:    0.62 occur:3.0 {?}
assign (resid   3 and name  HG#) (resid   4 and name HD1#) 5.0 3.2 2.0 ! peak:  109 volume:    0.00 intensity:    0.12 occur:2.0 {?}
assign (resid   3 and name  HG#) (resid   4 and name   HA) 5.0 3.2 1.0 ! peak:  111 volume:    0.00 intensity:    0.46 occur:1.0 {?}
assign (resid   3 and name  HG#) (resid   4 and name   HN) 5.0 3.2 1.0 ! peak:  113 volume:    0.00 intensity:    0.63 occur:2.0 {?}
assign (resid   3 and name  HB#) (resid   4 and name   HN) 5.0 3.2 1.0 ! peak:  114 volume:    0.00 intensity:    1.42 occur:2.0 {?}
assign (resid   3 and name   HA) (resid   4 and name  HB2) 5.0 3.2 0.0 ! peak:  119 volume:    0.00 intensity:    0.90 occur:1.0 {?}
assign (resid   3 and name   HA) (resid   4 and name  HB1) 5.0 3.2 0.0 ! peak:  120 volume:    0.00 intensity:    0.86 occur:1.0 {?}
assign (resid   3 and name  HB#) (resid   4 and name HD1#) 5.0 3.2 2.0 ! peak:  131 volume:    0.00 intensity:    0.47 occur:1.0 {?}
assign (resid   3 and name   HN) (resid   4 and name HD1#) 5.0 3.2 1.0 ! peak:  141 volume:    0.00 intensity:    0.36 occur:1.0 {?}
assign (resid   3 and name   HA) (resid   4 and name   HG) 5.0 3.2 0.0 ! peak:  374 volume:    0.00 intensity:    0.78 occur:1.0 {?}
assign (resid   3 and name   HA) (resid   4 and name HD1#) 5.0 3.2 1.0 ! peak:  462 volume:    0.00 intensity:    0.48 occur:1.0 {?}
assign (resid   4 and name   HG) (resid   5 and name  HD2) 5.0 3.2 0.0 ! peak:   46 volume:    0.00 intensity:    0.60 occur:1.0 {?}
assign (resid   4 and name   HN) (resid   5 and name  HD1) 5.0 3.2 0.0 ! peak:   63 volume:    0.00 intensity:    0.59 occur:3.0 {?}
assign (resid   4 and name   HN) (resid   5 and name  HD2) 5.0 3.2 0.0 ! peak:   64 volume:    0.00 intensity:    0.59 occur:3.0 {?}
assign (resid   4 and name  HB1) (resid   5 and name  HD1) 5.0 3.2 0.0 ! peak:  123 volume:    0.00 intensity:    0.89 occur:2.0 {?}
assign (resid   4 and name HD1#) (resid   5 and name  HB#) 5.0 3.2 2.0 ! peak:  132 volume:    0.00 intensity:    0.10 occur:1.0 {?}
assign (resid   4 and name HD1#) (resid   5 and name  HD2) 5.0 3.2 1.0 ! peak:  136 volume:    0.00 intensity:    0.82 occur:3.0 {?}
assign (resid   4 and name  HB2) (resid   5 and name  HD2) 5.0 3.2 0.0 ! peak:  148 volume:    0.00 intensity:    1.49 occur:2.0 {?}
assign (resid   4 and name  HB2) (resid   5 and name  HD1) 5.0 3.2 0.0 ! peak:  149 volume:    0.00 intensity:    0.89 occur:1.0 {?}
assign (resid   4 and name   HG) (resid   5 and name  HD1) 5.0 3.2 0.0 ! peak:  150 volume:    0.00 intensity:    0.99 occur:3.0 {?}
assign (resid   4 and name  HB1) (resid   5 and name  HD2) 5.0 3.2 0.0 ! peak:  153 volume:    0.00 intensity:    0.74 occur:2.0 {?}
assign (resid   4 and name   HA) (resid   5 and name  HD2) 5.0 3.2 0.0 ! peak:  156 volume:    0.00 intensity:    1.25 occur:2.0 {?}
assign (resid   4 and name   HA) (resid   5 and name  HD1) 5.0 3.2 0.0 ! peak:  157 volume:    0.00 intensity:    0.50 occur:2.0 {?}
assign (resid   4 and name  HB2) (resid   5 and name  HB#) 5.0 3.2 1.0 ! peak:  163 volume:    0.00 intensity:    0.20 occur:1.0 {?}
assign (resid   4 and name   HA) (resid   5 and name  HG#) 5.0 3.2 1.0 ! peak:  170 volume:    0.00 intensity:    1.40 occur:2.0 {?}
assign (resid   4 and name   HN) (resid   5 and name  HG#) 5.0 3.2 1.0 ! peak:  456 volume:    0.00 intensity:    0.22 occur:1.0 {?}
assign (resid   5 and name  HB#) (resid   6 and name   HA) 5.0 3.2 1.0 ! peak:   18 volume:    0.00 intensity:    0.47 occur:1.0 {?}
assign (resid   5 and name  HD2) (resid   6 and name   HN) 5.0 3.2 0.0 ! peak:   42 volume:    0.00 intensity:    0.33 occur:3.0 {?}
assign (resid   5 and name   HA) (resid   6 and name   HN) 5.0 3.2 0.0 ! peak:  143 volume:    0.00 intensity:    1.01 occur:1.0 {?}
assign (resid   5 and name  HD1) (resid   6 and name   HN) 5.0 3.2 0.0 ! peak:  158 volume:    0.00 intensity:    0.32 occur:3.0 {?}
assign (resid   5 and name  HD2) (resid   6 and name   HN) 5.0 3.2 0.0 ! peak:  159 volume:    0.00 intensity:    0.33 occur:1.0 {?}
assign (resid   5 and name  HB#) (resid   6 and name   HN) 5.0 3.2 1.0 ! peak:  168 volume:    0.00 intensity:    0.38 occur:3.0 {?}
assign (resid   5 and name  HG#) (resid   6 and name   HN) 5.0 3.2 1.0 ! peak:  171 volume:    0.00 intensity:    1.18 occur:3.0 {?}
assign (resid   5 and name   HA) (resid   6 and name  HG#) 5.0 3.2 1.0 ! peak:  197 volume:    0.00 intensity:    0.22 occur:1.0 {?}
assign (resid   6 and name  HB#) (resid   7 and name   HN) 5.0 3.2 1.0 ! peak:    4 volume:    0.00 intensity:    1.08 occur:2.0 {?}
assign (resid   6 and name   HA) (resid   7 and name   HN) 5.0 3.2 0.0 ! peak:   78 volume:    0.00 intensity:    0.70 occur:4.0 {?}
assign (resid   6 and name  HG#) (resid   7 and name   HN) 5.0 3.2 1.0 ! peak:  218 volume:    0.00 intensity:    0.29 occur:2.0 {?}
assign (resid   6 and name   HN) (resid   7 and name   HN) 5.0 3.2 0.0 ! peak:  222 volume:    0.00 intensity:    0.79 occur:2.0 {?}
assign (resid   7 and name   HN) (resid   8 and name HG##) 5.0 3.2 3.0 ! peak:    5 volume:    0.00 intensity:    0.32 occur:1.0 {?}
assign (resid   7 and name   HA) (resid   8 and name   HN) 5.0 3.2 0.0 ! peak:   79 volume:    0.00 intensity:    1.22 occur:2.0 {?}
assign (resid   7 and name  HB#) (resid   8 and name   HA) 5.0 3.2 1.0 ! peak:  124 volume:    0.00 intensity:    0.75 occur:2.0 {?}
assign (resid   7 and name   HG) (resid   8 and name   HA) 5.0 3.2 0.0 ! peak:  125 volume:    0.00 intensity:    0.88 occur:1.0 {?}
assign (resid   7 and name   HN) (resid   8 and name   HA) 5.0 3.2 0.0 ! peak:  219 volume:    0.00 intensity:    0.35 occur:2.0 {?}
assign (resid   7 and name  HB#) (resid   8 and name   HN) 5.0 3.2 1.0 ! peak:  236 volume:    0.00 intensity:    1.19 occur:1.0 {?}
assign (resid   7 and name   HG) (resid   8 and name   HN) 5.0 3.2 0.0 ! peak:  237 volume:    0.00 intensity:    0.36 occur:1.0 {?}
assign (resid   7 and name   HN) (resid   8 and name   HB) 5.0 3.2 0.0 ! peak:  244 volume:    0.00 intensity:    0.75 occur:2.0 {?}
assign (resid   8 and name   HN) (resid   9 and name  HB#) 5.0 3.2 1.0 ! peak:  231 volume:    0.00 intensity:    0.19 occur:2.0 {?}
assign (resid   8 and name   HN) (resid   9 and name   HN) 5.0 3.2 0.0 ! peak:  238 volume:    0.00 intensity:    1.13 occur:2.0 {?}
assign (resid   8 and name   HB) (resid   9 and name   HN) 5.0 3.2 0.0 ! peak:  249 volume:    0.00 intensity:    2.52 occur:2.0 {?}
assign (resid   9 and name   HA) (resid  10 and name   HN) 5.0 3.2 0.0 ! peak:   80 volume:    0.00 intensity:    1.55 occur:1.0 {?}
assign (resid   9 and name   HN) (resid  10 and name   HN) 5.0 3.2 0.0 ! peak:   81 volume:    0.00 intensity:    0.81 occur:1.0 {?}
assign (resid   9 and name  HB#) (resid  10 and name   HN) 5.0 3.2 1.0 ! peak:  268 volume:    0.00 intensity:    0.63 occur:3.0 {?}
assign (resid  10 and name   HN) (resid  11 and name   HN) 5.0 3.2 0.0 ! peak:  281 volume:    0.00 intensity:    1.46 occur:2.0 {?}
assign (resid  10 and name  HD#) (resid  11 and name HD##) 5.0 3.2 4.0 ! peak:  401 volume:    0.00 intensity:    0.12 occur:1.0 {?}
assign (resid  11 and name  HB#) (resid  12 and name   HN) 5.0 3.2 1.0 ! peak:  285 volume:    0.00 intensity:    0.02 occur:1.1 {?}
assign (resid  11 and name   HN) (resid  12 and name   HN) 5.0 3.2 0.0 ! peak:  300 volume:    0.00 intensity:    0.33 occur:2.0 {?}
assign (resid  11 and name   HG) (resid  12 and name   HN) 5.0 3.2 0.0 ! peak:  382 volume:    0.00 intensity:    0.66 occur:2.0 {?}
assign (resid  11 and name   HG) (resid  12 and name   HA) 5.0 3.2 0.0 ! peak:  388 volume:    0.00 intensity:    0.18 occur:1.0 {?}
assign (resid  12 and name   HN) (resid  13 and name   HN) 5.0 3.2 0.0 ! peak:  299 volume:    0.00 intensity:    0.33 occur:1.0 {?}
assign (resid  12 and name   HA) (resid  13 and name   HN) 5.0 3.2 0.0 ! peak:  301 volume:    0.00 intensity:    0.04 occur:1.0 {?}
assign (resid  13 and name   HG) (resid  14 and name   HN) 5.0 3.2 0.0 ! peak:  314 volume:    0.00 intensity:    0.47 occur:2.0 {?}
assign (resid  13 and name  HB#) (resid  14 and name   HN) 5.0 3.2 1.0 ! peak:  315 volume:    0.00 intensity:    0.71 occur:1.0 {?}
assign (resid  14 and name   HN) (resid  15 and name  HB#) 5.0 3.2 1.0 ! peak:  320 volume:    0.00 intensity:    0.46 occur:1.0 {?}
assign (resid  14 and name   HA) (resid  15 and name   HN) 5.0 3.2 0.0 ! peak:  330 volume:    0.00 intensity:    0.40 occur:1.0 {?}
assign (resid  14 and name  HB#) (resid  15 and name   HN) 5.0 3.2 1.0 ! peak:  334 volume:    0.00 intensity:    0.23 occur:1.0 {?}
assign (resid  14 and name  HG#) (resid  15 and name   HN) 5.0 3.2 1.0 ! peak:  335 volume:    0.00 intensity:    0.19 occur:1.0 {?}
assign (resid  15 and name   HA) (resid  16 and name   HN) 5.0 3.2 0.0 ! peak:   85 volume:    0.00 intensity:    0.85 occur:1.0 {?}
assign (resid  15 and name   HN) (resid  16 and name   HN) 5.0 3.2 0.0 ! peak:   86 volume:    0.00 intensity:    1.55 occur:2.0 {?}
assign (resid  15 and name   HN) (resid  16 and name   HA) 5.0 3.2 0.0 ! peak:  329 volume:    0.00 intensity:    1.39 occur:2.0 {?}
assign (resid  15 and name   HN) (resid  16 and name  HB#) 5.0 3.2 1.0 ! peak:  333 volume:    0.00 intensity:    0.89 occur:2.0 {?}
! Medium 
assign (resid   1 and name  HA#) (resid   3 and name   HN) 5.0 3.2 1.0 ! peak:   41 volume:    0.00 intensity:    0.44 occur:1.0 {?}
assign (resid   2 and name  HG#) (resid   4 and name   HN) 5.0 3.2 1.0 ! peak:  115 volume:    0.00 intensity:    1.37 occur:1.0 {?}
assign (resid   3 and name  HG#) (resid   8 and name HG##) 5.0 3.2 4.0 ! peak:  393 volume:    0.00 intensity:    0.29 occur:2.0 {?}
assign (resid   4 and name HD1#) (resid   6 and name   HA) 5.0 3.2 1.0 ! peak:  137 volume:    0.00 intensity:    0.18 occur:1.0 {?}
assign (resid   4 and name   HG) (resid   6 and name   HN) 5.0 3.2 0.0 ! peak:  470 volume:    0.00 intensity:    0.13 occur:1.0 {?}
assign (resid   4 and name  HB1) (resid   6 and name   HN) 5.0 3.2 0.0 ! peak:  471 volume:    0.00 intensity:    0.12 occur:1.0 {?}
assign (resid   5 and name  HD2) (resid   8 and name HG##) 5.0 3.2 3.0 ! peak:   48 volume:    0.01 intensity:    0.23 occur:1.0 {not_sure}
assign (resid   5 and name  HD2) (resid   7 and name   HN) 5.0 3.2 0.0 ! peak:  220 volume:    0.00 intensity:    0.17 occur:1.0 {?}
assign (resid   5 and name  HB#) (resid   8 and name   HN) 5.0 3.2 1.0 ! peak:  235 volume:    0.00 intensity:    0.43 occur:2.0 {?}
assign (resid   5 and name   HA) (resid   8 and name HG##) 5.0 3.2 3.0 ! peak:  464 volume:    0.80 intensity:    0.79 occur:1.0 {not_sure}
assign (resid   5 and name  HB#) (resid   8 and name HG##) 5.0 3.2 4.0 ! peak:  466 volume:    0.00 intensity:    0.14 occur:1.0 {?}
assign (resid   5 and name  HB#) (resid   7 and name HD##) 5.0 3.2 4.0 ! peak:  468 volume:    0.00 intensity:    0.10 occur:1.0 {?}
assign (resid   5 and name  HD1) (resid   8 and name HG##) 5.0 3.2 3.0 ! peak:  469 volume:    0.18 intensity:    0.15 occur:1.0 {not_sure}
assign (resid   6 and name   HA) (resid   9 and name  HB#) 5.0 3.2 1.0 ! peak:   17 volume:    0.00 intensity:    1.18 occur:4.0 {?}
assign (resid   6 and name   HA) (resid   9 and name   HN) 5.0 3.2 0.0 ! peak:   23 volume:    0.00 intensity:    0.54 occur:1.0 {?}
assign (resid   6 and name   HA) (resid   8 and name   HN) 5.0 3.2 0.0 ! peak:  229 volume:    0.00 intensity:    0.17 occur:1.0 {?}
assign (resid   7 and name   HN) (resid   9 and name   HN) 5.0 3.2 0.0 ! peak:    7 volume:    0.00 intensity:    0.37 occur:2.0 {?}
assign (resid   7 and name   HA) (resid  10 and name   HN) 5.0 3.2 0.0 ! peak:  265 volume:    0.00 intensity:    0.75 occur:1.0 {?}
assign (resid   7 and name  HB#) (resid   9 and name   HN) 5.0 3.2 1.0 ! peak:  479 volume:    0.77 intensity:    0.31 occur:2.0 {not_sure}
assign (resid   8 and name   HA) (resid  11 and name  HB#) 5.0 3.2 1.0 ! peak:  240 volume:    0.00 intensity:    0.96 occur:1.0 {?}
assign (resid   8 and name   HA) (resid  11 and name   HG) 5.0 3.2 0.0 ! peak:  242 volume:    0.00 intensity:    0.76 occur:1.0 {?}
assign (resid   8 and name   HA) (resid  12 and name   HN) 5.0 3.2 0.0 ! peak:  243 volume:    0.00 intensity:   -0.03 occur:1.0 {?}
assign (resid   8 and name   HA) (resid  11 and name   HN) 5.0 3.2 0.0 ! peak:  398 volume:    0.00 intensity:    1.00 occur:1.0 {?}
assign (resid   8 and name   HA) (resid  10 and name   HN) 5.0 3.2 0.0 ! peak:  404 volume:    0.00 intensity:    0.26 occur:1.0 {?}
assign (resid   8 and name   HB) (resid  10 and name   HN) 5.0 3.2 0.0 ! peak:  405 volume:    0.00 intensity:    0.40 occur:1.0 {?}
assign (resid   8 and name HG##) (resid  10 and name   HN) 5.0 3.2 3.0 ! peak:  410 volume:    0.00 intensity:    0.14 occur:1.0 {?}
assign (resid   9 and name   HA) (resid  12 and name   HN) 5.0 3.2 0.0 ! peak:   82 volume:    0.00 intensity:    0.87 occur:2.0 {?}
assign (resid   9 and name  HB#) (resid  13 and name HD##) 5.0 3.2 4.0 ! peak:  134 volume:    0.00 intensity:    0.12 occur:1.1 {?}
assign (resid   9 and name   HA) (resid  12 and name   HA) 5.0 3.2 0.0 ! peak:  256 volume:    0.00 intensity:    0.12 occur:1.0 {?}
assign (resid   9 and name  HB#) (resid  11 and name HD##) 5.0 3.2 4.0 ! peak:  264 volume:    0.00 intensity:    0.23 occur:2.0 {?}
assign (resid   9 and name  HB#) (resid  12 and name   HN) 5.0 3.2 1.0 ! peak:  297 volume:    0.00 intensity:    0.19 occur:2.0 {?}
assign (resid   9 and name   HA) (resid  12 and name   HB) 5.0 3.2 0.0 ! peak:  307 volume:    0.45 intensity:    1.03 occur:1.0 {}
assign (resid  10 and name   HN) (resid  12 and name   HN) 5.0 3.2 0.0 ! peak:   83 volume:    0.00 intensity:    0.24 occur:1.0 {?}
assign (resid  10 and name   HA) (resid  13 and name   HG) 5.0 3.2 0.0 ! peak:  272 volume:    0.00 intensity:    0.89 occur:2.0 {?}
assign (resid  10 and name   HN) (resid  13 and name HD##) 5.0 3.2 3.0 ! peak:  411 volume:    0.00 intensity:    0.11 occur:1.0 {?}
assign (resid  10 and name   HA) (resid  15 and name   HN) 5.0 3.2 0.0 ! peak:  416 volume:    0.00 intensity:    1.17 occur:1.0 {?}
assign (resid  11 and name   HN) (resid  14 and name  HG#) 5.0 3.2 1.0 ! peak:  279 volume:    0.00 intensity:    2.05 occur:1.0 {?}
assign (resid  11 and name  HB#) (resid  13 and name HD##) 5.0 3.2 4.0 ! peak:  350 volume:    0.00 intensity:    1.70 occur:1.0 {?}
assign (resid  12 and name   HA) (resid  14 and name   HN) 5.0 3.2 0.0 ! peak:  319 volume:    0.00 intensity:    0.18 occur:1.0 {?}
assign (resid  12 and name   HA) (resid  15 and name   HN) 5.0 3.2 0.0 ! peak:  332 volume:    0.00 intensity:    0.27 occur:1.0 {?}
assign (resid  12 and name   HA) (resid  16 and name   HN) 5.0 3.2 0.0 ! peak:  339 volume:    0.00 intensity:    0.57 occur:1.0 {?}
assign (resid  12 and name   HA) (resid  14 and name   HE) 5.0 3.2 0.0 ! peak:  387 volume:    0.00 intensity:    0.25 occur:1.0 {?}
assign (resid  13 and name   HA) (resid  15 and name   HN) 5.0 3.2 0.0 ! peak:  331 volume:    0.00 intensity:    0.52 occur:1.0 {?}
assign (resid  13 and name   HA) (resid  16 and name   HN) 5.0 3.2 0.0 ! peak:  338 volume:    0.00 intensity:    0.63 occur:1.0 {?}
assign (resid  14 and name   HN) (resid  16 and name   HN) 5.0 3.2 0.0 ! peak:   87 volume:    0.00 intensity:    1.44 occur:1.0 {?}
assign (resid  14 and name   HN) (resid  16 and name  HB#) 5.0 3.2 1.0 ! peak:  316 volume:    0.00 intensity:    0.24 occur:1.0 {?}
assign (resid  14 and name  HB#) (resid  16 and name   HN) 5.0 3.2 1.0 ! peak:  473 volume:    0.00 intensity:    0.52 occur:1.0 {?}
assign (resid  14 and name   HA) (resid  16 and name   HN) 5.0 3.2 0.0 ! peak:  484 volume:    0.00 intensity:    1.10 occur:1.0 {?}
! Ambiguous 
assign (resid   4 and name HD1#) (resid   6 and name HE2#) 5.0 3.2 7.0 ! peak:   32 volume:    0.00 intensity:    0.02 {or}
    OR (resid   6 and name HE2#) (resid   7 and name HD##)
    OR (resid   6 and name HE2#) (resid   8 and name HG##)
assign (resid   4 and name HD1#) (resid   5 and name  HD1) 5.0 3.2 4.0 ! peak:  155 volume:    0.17 intensity:    0.23 {or_7_or_8_HD}
    OR (resid   5 and name  HD1) (resid   7 and name HD##)
    OR (resid   5 and name  HD1) (resid   8 and name HG##)
assign (resid   4 and name HD1#) (resid   6 and name HE2#) 5.0 3.2 7.0 ! peak:  209 volume:    0.00 intensity:    0.06 {or}
    OR (resid   6 and name HE2#) (resid   7 and name HD##)
    OR (resid   6 and name HE2#) (resid   8 and name HG##)
assign (resid   4 and name  HB1) (resid   4 and name  HB2) 5.0 3.2 2.0 ! peak:  353 volume:    0.00 intensity:    8.11  {?}
    OR (resid   2 and name  HG#) (resid   2 and name  HB#)
assign (resid   4 and name   HN) (resid   5 and name   HA) 5.0 3.2 0.0 ! peak:  458 volume:    0.16 intensity:    0.16  {or_7_HA}
    OR (resid   4 and name   HN) (resid   7 and name   HA)
assign (resid   5 and name  HB#) (resid   7 and name HD##) 5.0 3.2 6.0 ! peak:  467 volume:    0.04 intensity:    0.05  {or_5_to_4_HD}
    OR (resid   5 and name  HB#) (resid   4 and name HD1#)
assign (resid   6 and name   HA) (resid   7 and name  HB#) 5.0 3.2 1.0 ! peak:   19 volume:    0.14 intensity:    0.40  {or_4HB2}
    OR (resid   6 and name   HA) (resid   4 and name  HB2)
assign (resid   6 and name   HA) (resid   7 and name HD##) 5.0 3.2 7.0 ! peak:   20 volume:    0.00 intensity:    0.04 {or}
    OR (resid   6 and name   HA) (resid   8 and name HG##)
    OR (resid   6 and name   HA) (resid   4 and name HD1#)
assign (resid   6 and name   HN) (resid   7 and name   HA) 5.0 3.2 0.0 ! peak:  175 volume:    0.26 intensity:    0.61  {or_5HA}
    OR (resid   6 and name   HN) (resid   5 and name   HA)
assign (resid   6 and name   HN) (resid   7 and name  HB#) 5.0 3.2 1.0 ! peak:  181 volume:    0.01 intensity:    0.24  {or_4_HB}
    OR (resid   6 and name   HN) (resid   4 and name  HB1)
assign (resid   7 and name HD##) (resid   9 and name   HA) 5.0 3.2 6.0 ! peak:  138 volume:    0.05 intensity:    0.19  {or_8HG2#}
    OR (resid   8 and name HG##) (resid   9 and name   HA)
assign (resid   7 and name HD##) (resid   8 and name   HA) 5.0 3.2 9.0 ! peak:  239 volume:    0.10 intensity:    0.18 {or8to11HDor8to12HDor8to13HD}
    OR (resid   8 and name   HA) (resid  11 and name HD##)
    OR (resid   8 and name   HA) (resid  12 and name HG##)
    OR (resid   8 and name   HA) (resid  13 and name HD##)
assign (resid   7 and name  HB#) (resid   9 and name   HA) 5.0 3.2 2.0 ! peak:  477 volume:    0.00 intensity:    0.64  {?}
    OR (resid   7 and name  HB#) (resid  10 and name   HA)
assign (resid   7 and name  HB#) (resid   9 and name   HA) 5.0 3.2 2.0 ! peak:  478 volume:    0.00 intensity:    0.59  {?}
    OR (resid   7 and name  HB#) (resid  10 and name   HA)
assign (resid   8 and name   HN) (resid   9 and name   HA) 5.0 3.2 0.0 ! peak:  228 volume:    0.03 intensity:    0.32  {or8to10HA}
    OR (resid   8 and name   HN) (resid  10 and name   HA)
assign (resid  10 and name   HA) (resid  12 and name HG##) 5.0 3.2 12.0 ! peak:  395 volume:    0.02 intensity:    0.10 {or8HGto10or8HGto9HAor12HGto9HA}
    OR (resid   8 and name HG##) (resid  10 and name   HA)
    OR (resid   8 and name HG##) (resid   9 and name   HA)
    OR (resid  12 and name HG##) (resid   9 and name   HA)
assign (resid  10 and name  HG#) (resid  11 and name HD##) 5.0 3.2 12.0 ! peak:  491 volume:    0.25 intensity:    0.35 {or11to14HGor11to7HB}
    OR (resid  11 and name HD##) (resid  14 and name  HG#)
    OR (resid  11 and name HD##) (resid   7 and name  HB#)
assign (resid  11 and name   HA) (resid  12 and name   HN) 5.0 3.2 0.0 ! peak:  298 volume:    0.13 intensity:    0.75  {or12to13HA}
    OR (resid  12 and name   HN) (resid  13 and name   HA)
assign (resid  11 and name   HA) (resid  12 and name HG##) 5.0 3.2 12.0 ! peak:  396 volume:    0.00 intensity:    0.03 {or12to13HAor8HGto11HAor8HGto13HA}
    OR (resid  12 and name HG##) (resid  13 and name   HA)
    OR (resid   8 and name HG##) (resid  11 and name   HA)
    OR (resid   8 and name HG##) (resid  13 and name   HA)
assign (resid  11 and name   HA) (resid  12 and name   HN) 5.0 3.2 0.0 ! peak:  487 volume:    0.29 intensity:    0.26  {or13HAto12}
    OR (resid  13 and name   HA) (resid  12 and name   HN)
assign (resid  11 and name   HA) (resid  12 and name HG##) 5.0 3.2 9.0 ! peak:  489 volume:    0.06 intensity:    0.05 {or12to13HAor11to8HG}
    OR (resid  13 and name   HA) (resid  12 and name HG##)
    OR (resid  11 and name   HA) (resid   8 and name HG##)
assign (resid  12 and name HG##) (resid  16 and name   HG) 5.0 3.2 7.0 ! peak:  392 volume:   -0.04 intensity:    0.08  {or8hgto5hb}
    OR (resid   8 and name HG##) (resid   5 and name  HB#)
assign (resid  13 and name   HA) (resid  14 and name   HE) 5.0 3.2 0.0 ! peak:  327 volume:    0.08 intensity:    0.23  {or14to11HA}
    OR (resid  14 and name   HE) (resid  11 and name   HA)
assign (resid  13 and name HD##) (resid  14 and name   HN) 5.0 3.2 6.0 ! peak:  482 volume:    0.13 intensity:    0.13 {or14to12HGor14to11HD}
    OR (resid  14 and name   HN) (resid  12 and name HG##)
    OR (resid  14 and name   HN) (resid  11 and name HD##)
assign (resid  13 and name   HA) (resid  14 and name   HN) 5.0 3.2 0.0 ! peak:  483 volume:    1.15 intensity:    1.19  {or14to11HA}
    OR (resid  14 and name   HN) (resid  11 and name   HA)
assign (resid  13 and name HD##) (resid  14 and name   HE) 5.0 3.2 6.0 ! peak:  486 volume:    0.03 intensity:    0.03  {or14to11HD}
    OR (resid  14 and name   HE) (resid  11 and name HD##)

! Dihedral angle restraints
!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 b: phi=-120 +/- 30 psi=120 +/- 40
! for a: phi=-60 +/- 30 psi=-40 +/- 40
assign (resid  5 and name C  ) (resid  6 and name N  )
       (resid  6 and name CA ) (resid  6 and name C  )  1.0  -60  30 2
assign (resid  6 and name N  ) (resid  6 and name CA )
       (resid  6 and name C  ) (resid  7 and name N  )  1.0  -40  40 2
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 bond restraints
assign (resid 6 and name O ) (resid 10 and name HN ) 2.2 0.5 0.2
assign (resid 6 and name O ) (resid 10 and name N  ) 3.3 0.8 0.2
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  -9.109  -9.655   4.641
    2   2H    GLY   1          2HT       GLY   1  -8.311  -8.399   3.838
    3   3H    GLY   1          3HT       GLY   1  -8.803  -9.771   2.981
    4   1HA   GLY   1          1HA       GLY   1 -10.549  -8.511   2.402
    5   2HA   GLY   1          2HA       GLY   1 -11.144  -9.015   3.976
    6    H    ARG   2           H        ARG   2  -8.784  -6.601   2.819
    7    HA   ARG   2           HA       ARG   2 -10.324  -4.359   3.516
    8   1HB   ARG   2          2HB       ARG   2  -9.892  -5.276   5.813
    9   2HB   ARG   2          1HB       ARG   2  -8.177  -5.002   5.542
   10   1HG   ARG   2          2HG       ARG   2  -8.738  -3.106   6.686
   11   2HG   ARG   2          1HG       ARG   2  -8.962  -2.558   5.023
   12   1HD   ARG   2          2HD       ARG   2 -11.409  -3.576   5.539
   13   2HD   ARG   2          1HD       ARG   2 -10.944  -3.030   7.150
   14    HE   ARG   2           HE       ARG   2 -10.370  -0.896   5.603
   15   1HH1  ARG   2          1HH1      ARG   2 -13.226  -2.873   5.945
   16   2HH1  ARG   2          2HH1      ARG   2 -14.316  -1.585   5.555
   17   1HH2  ARG   2          1HH2      ARG   2 -11.803   0.799   5.090
   18   2HH2  ARG   2          2HH2      ARG   2 -13.509   0.498   5.068
   19    H    MET   3           H        MET   3  -9.420  -3.934   1.411
   20    HA   MET   3           HA       MET   3  -6.591  -3.555   1.103
   21   1HB   MET   3          2HB       MET   3  -8.694  -3.898  -0.643
   22   2HB   MET   3          1HB       MET   3  -8.313  -2.193  -0.839
   23   1HG   MET   3          2HG       MET   3  -6.847  -2.947  -2.349
   24   2HG   MET   3          1HG       MET   3  -5.840  -3.258  -0.937
   25   1HE   MET   3          1HE       MET   3  -5.350  -6.768  -0.615
   26   2HE   MET   3          2HE       MET   3  -4.985  -5.084  -0.238
   27   3HE   MET   3          3HE       MET   3  -4.409  -5.796  -1.746
   28    H    LEU   4           H        LEU   4  -5.542  -1.622   0.601
   29    HA   LEU   4           HA       LEU   4  -6.794   0.862   1.372
   30   1HB   LEU   4          2HB       LEU   4  -4.408   0.710   2.905
   31   2HB   LEU   4          1HB       LEU   4  -6.060   0.931   3.462
   32    HG   LEU   4           HG       LEU   4  -6.301  -1.553   3.525
   33   1HD1  LEU   4          1HD1      LEU   4  -3.394  -1.952   3.531
   34   2HD1  LEU   4          2HD1      LEU   4  -4.097  -1.612   1.950
   35   3HD1  LEU   4          3HD1      LEU   4  -4.683  -2.977   2.900
   36   1HD2  LEU   4          1HD2      LEU   4  -5.555  -1.628   5.656
   37   2HD2  LEU   4          2HD2      LEU   4  -5.341   0.103   5.394
   38   3HD2  LEU   4          3HD2      LEU   4  -3.965  -0.989   5.240
   39    HA   PRO   5           HA       PRO   5  -3.422   2.471  -1.062
   40   1HB   PRO   5          2HB       PRO   5  -3.082   4.929  -0.077
   41   2HB   PRO   5          1HB       PRO   5  -4.626   4.437  -0.783
   42   1HG   PRO   5          2HG       PRO   5  -3.897   4.850   2.056
   43   2HG   PRO   5          1HG       PRO   5  -5.474   4.992   1.267
   44   1HD   PRO   5          2HD       PRO   5  -4.437   2.769   2.755
   45   2HD   PRO   5          1HD       PRO   5  -6.008   2.896   1.938
   46    H    GLN   6           H        GLN   6  -2.641   1.143   1.687
   47    HA   GLN   6           HA       GLN   6  -0.215   2.454   2.435
   48   1HB   GLN   6          2HB       GLN   6  -1.673   0.001   3.231
   49   2HB   GLN   6          1HB       GLN   6   0.064  -0.001   3.510
   50   1HG   GLN   6          2HG       GLN   6  -0.078   1.455   5.199
   51   2HG   GLN   6          1HG       GLN   6  -1.293   2.438   4.384
   52   1HE2  GLN   6          1HE2      GLN   6  -0.811  -0.535   6.208
   53   2HE2  GLN   6          2HE2      GLN   6  -2.405  -0.603   6.870
   54    H    LEU   7           H        LEU   7  -0.925   0.808  -0.305
   55    HA   LEU   7           HA       LEU   7   1.346  -0.897  -0.551
   56   1HB   LEU   7          2HB       LEU   7  -0.741  -1.174  -1.865
   57   2HB   LEU   7          1HB       LEU   7  -0.376   0.315  -2.714
   58    HG   LEU   7           HG       LEU   7   1.676  -1.838  -2.771
   59   1HD1  LEU   7          1HD1      LEU   7   0.582  -3.255  -4.153
   60   2HD1  LEU   7          2HD1      LEU   7  -0.418  -1.980  -4.850
   61   3HD1  LEU   7          3HD1      LEU   7  -0.820  -2.651  -3.269
   62   1HD2  LEU   7          1HD2      LEU   7   2.452  -0.106  -4.006
   63   2HD2  LEU   7          2HD2      LEU   7   0.837   0.497  -4.377
   64   3HD2  LEU   7          3HD2      LEU   7   1.487  -0.882  -5.260
   65    H    VAL   8           H        VAL   8   0.631   2.449  -1.236
   66    HA   VAL   8           HA       VAL   8   2.949   2.946  -2.804
   67    HB   VAL   8           HB       VAL   8   1.351   4.968  -1.231
   68   1HG1  VAL   8          1HG1      VAL   8   2.226   6.597  -2.710
   69   2HG1  VAL   8          2HG1      VAL   8   2.909   5.367  -3.774
   70   3HG1  VAL   8          3HG1      VAL   8   3.598   5.628  -2.171
   71   1HG2  VAL   8          1HG2      VAL   8   0.863   3.756  -3.939
   72   2HG2  VAL   8          2HG2      VAL   8   0.187   5.315  -3.462
   73   3HG2  VAL   8          3HG2      VAL   8  -0.241   3.857  -2.567
   74    H    CYS   9           H        CYS   9   2.106   3.415   0.602
   75    HA   CYS   9           HA       CYS   9   4.618   4.549   1.330
   76   1HB   CYS   9          2HB       CYS   9   2.307   3.394   2.872
   77   2HB   CYS   9          1HB       CYS   9   3.805   3.818   3.693
   78    HG   CYS   9           HG       CYS   9   1.697   5.770   2.719
   79    H    ARG  10           H        ARG  10   3.421   1.303   0.957
   80    HA   ARG  10           HA       ARG  10   5.468   0.008   2.473
   81   1HB   ARG  10          2HB       ARG  10   3.221  -0.980   1.650
   82   2HB   ARG  10          1HB       ARG  10   4.041  -1.212   0.113
   83   1HG   ARG  10          2HG       ARG  10   5.498  -2.236   2.441
   84   2HG   ARG  10          1HG       ARG  10   3.958  -3.035   2.114
   85   1HD   ARG  10          2HD       ARG  10   6.184  -2.634   0.117
   86   2HD   ARG  10          1HD       ARG  10   5.842  -4.134   0.977
   87    HE   ARG  10           HE       ARG  10   3.604  -3.111  -0.512
   88   1HH1  ARG  10          1HH1      ARG  10   6.481  -5.082  -0.653
   89   2HH1  ARG  10          2HH1      ARG  10   5.928  -6.013  -2.004
   90   1HH2  ARG  10          1HH2      ARG  10   2.875  -4.335  -2.289
   91   2HH2  ARG  10          2HH2      ARG  10   3.880  -5.590  -2.933
   92    H    LEU  11           H        LEU  11   5.139   1.138  -0.814
   93    HA   LEU  11           HA       LEU  11   7.497  -0.072  -1.813
   94   1HB   LEU  11          2HB       LEU  11   6.041   0.737  -3.462
   95   2HB   LEU  11          1HB       LEU  11   5.799   2.263  -2.636
   96    HG   LEU  11           HG       LEU  11   7.935   3.079  -3.337
   97   1HD1  LEU  11          1HD1      LEU  11   8.507   0.252  -3.714
   98   2HD1  LEU  11          2HD1      LEU  11   9.605   1.604  -3.443
   99   3HD1  LEU  11          3HD1      LEU  11   9.034   1.246  -5.072
  100   1HD2  LEU  11          1HD2      LEU  11   7.689   2.480  -5.926
  101   2HD2  LEU  11          2HD2      LEU  11   6.591   3.580  -5.091
  102   3HD2  LEU  11          3HD2      LEU  11   6.123   1.901  -5.357
  103    H    VAL  12           H        VAL  12   6.750   2.863  -0.062
  104    HA   VAL  12           HA       VAL  12   9.428   3.902  -0.213
  105    HB   VAL  12           HB       VAL  12   7.194   4.835   1.578
  106   1HG1  VAL  12          1HG1      VAL  12   9.148   5.833   2.348
  107   2HG1  VAL  12          2HG1      VAL  12   8.495   7.034   1.233
  108   3HG1  VAL  12          3HG1      VAL  12   9.823   5.990   0.726
  109   1HG2  VAL  12          1HG2      VAL  12   6.613   4.756  -0.877
  110   2HG2  VAL  12          2HG2      VAL  12   7.890   5.946  -1.130
  111   3HG2  VAL  12          3HG2      VAL  12   6.504   6.343  -0.114
  112    H    LEU  13           H        LEU  13   7.519   2.045   2.038
  113    HA   LEU  13           HA       LEU  13   9.385   2.324   4.216
  114   1HB   LEU  13          2HB       LEU  13   6.769   1.769   4.171
  115   2HB   LEU  13          1HB       LEU  13   7.384   0.126   4.175
  116    HG   LEU  13           HG       LEU  13   6.922   0.747   6.435
  117   1HD1  LEU  13          1HD1      LEU  13   9.238  -0.326   5.676
  118   2HD1  LEU  13          2HD1      LEU  13   8.850   0.000   7.365
  119   3HD1  LEU  13          3HD1      LEU  13   9.857   1.128   6.459
  120   1HD2  LEU  13          1HD2      LEU  13   7.223   3.270   5.800
  121   2HD2  LEU  13          2HD2      LEU  13   8.869   3.004   6.377
  122   3HD2  LEU  13          3HD2      LEU  13   7.500   2.721   7.454
  123    H    ARG  14           H        ARG  14   8.313  -0.388   2.168
  124    HA   ARG  14           HA       ARG  14  10.231  -2.231   3.037
  125   1HB   ARG  14          2HB       ARG  14   9.635  -3.565   1.173
  126   2HB   ARG  14          1HB       ARG  14   8.171  -2.694   1.608
  127   1HG   ARG  14          2HG       ARG  14   8.110  -2.385  -0.635
  128   2HG   ARG  14          1HG       ARG  14   9.102  -0.992  -0.203
  129   1HD   ARG  14          2HD       ARG  14  11.041  -2.793  -0.486
  130   2HD   ARG  14          1HD       ARG  14   9.849  -3.514  -1.569
  131    HE   ARG  14           HE       ARG  14  10.257  -0.706  -2.017
  132   1HH1  ARG  14          1HH1      ARG  14  11.415  -3.913  -2.765
  133   2HH1  ARG  14          2HH1      ARG  14  12.144  -3.435  -4.261
  134   1HH2  ARG  14          1HH2      ARG  14  11.214  -0.077  -3.984
  135   2HH2  ARG  14          2HH2      ARG  14  12.031  -1.257  -4.953
  136    H    CYS  15           H        CYS  15  10.321   0.341   0.670
  137    HA   CYS  15           HA       CYS  15  12.882  -0.429  -0.417
  138   1HB   CYS  15          2HB       CYS  15  11.340   0.886  -1.775
  139   2HB   CYS  15          1HB       CYS  15  11.380   2.192  -0.596
  140    HG   CYS  15           HG       CYS  15  14.151   1.872  -1.491
  141    H    SER  16           H        SER  16  11.767   1.478   2.255
  142    HA   SER  16           HA       SER  16  13.980   3.107   2.709
  143   1HB   SER  16          2HB       SER  16  11.680   3.077   3.892
  144   2HB   SER  16          1HB       SER  16  12.405   1.874   4.958
  145    HG   SER  16           HG       SER  16  12.884   4.591   4.760
  Start of MODEL    2
    1   1H    GLY   1          1HT       GLY   1 -14.310  -1.095   6.942
    2   2H    GLY   1          2HT       GLY   1 -15.493  -0.633   5.826
    3   3H    GLY   1          3HT       GLY   1 -15.317   0.224   7.273
    4   1HA   GLY   1          1HA       GLY   1 -14.109   1.650   6.073
    5   2HA   GLY   1          2HA       GLY   1 -12.847   0.445   6.275
    6    H    ARG   2           H        ARG   2 -11.777   0.529   4.386
    7    HA   ARG   2           HA       ARG   2 -12.834  -0.699   2.097
    8   1HB   ARG   2          2HB       ARG   2 -12.907   1.216   0.550
    9   2HB   ARG   2          1HB       ARG   2 -14.115   1.355   1.821
   10   1HG   ARG   2          2HG       ARG   2 -12.234   2.758   3.005
   11   2HG   ARG   2          1HG       ARG   2 -11.659   2.962   1.349
   12   1HD   ARG   2          2HD       ARG   2 -14.543   3.372   1.715
   13   2HD   ARG   2          1HD       ARG   2 -13.519   4.538   2.552
   14    HE   ARG   2           HE       ARG   2 -13.934   4.316  -0.276
   15   1HH1  ARG   2          1HH1      ARG   2 -11.700   5.364   2.193
   16   2HH1  ARG   2          2HH1      ARG   2 -10.909   6.512   1.165
   17   1HH2  ARG   2          1HH2      ARG   2 -12.895   5.825  -1.628
   18   2HH2  ARG   2          2HH2      ARG   2 -11.588   6.775  -1.003
   19    H    MET   3           H        MET   3 -11.326  -0.262   0.125
   20    HA   MET   3           HA       MET   3  -8.707  -0.926   0.875
   21   1HB   MET   3          2HB       MET   3 -10.109  -0.304  -1.644
   22   2HB   MET   3          1HB       MET   3  -8.379   0.009  -1.664
   23   1HG   MET   3          2HG       MET   3  -9.578  -2.610  -0.810
   24   2HG   MET   3          1HG       MET   3  -9.077  -2.256  -2.462
   25   1HE   MET   3          1HE       MET   3  -6.585  -4.140   0.610
   26   2HE   MET   3          2HE       MET   3  -7.854  -4.735  -0.463
   27   3HE   MET   3          3HE       MET   3  -8.251  -3.604   0.831
   28    H    LEU   4           H        LEU   4  -6.827   0.355  -0.229
   29    HA   LEU   4           HA       LEU   4  -6.983   3.190   0.086
   30   1HB   LEU   4          2HB       LEU   4  -6.322   1.431   2.304
   31   2HB   LEU   4          1HB       LEU   4  -5.048   2.587   1.980
   32    HG   LEU   4           HG       LEU   4  -7.646   3.866   2.001
   33   1HD1  LEU   4          1HD1      LEU   4  -6.815   2.609   4.604
   34   2HD1  LEU   4          2HD1      LEU   4  -8.074   1.946   3.562
   35   3HD1  LEU   4          3HD1      LEU   4  -8.267   3.551   4.267
   36   1HD2  LEU   4          1HD2      LEU   4  -5.931   5.348   2.286
   37   2HD2  LEU   4          2HD2      LEU   4  -4.972   4.224   3.248
   38   3HD2  LEU   4          3HD2      LEU   4  -6.349   5.052   3.972
   39    HA   PRO   5           HA       PRO   5  -3.045   2.801  -1.996
   40   1HB   PRO   5          2HB       PRO   5  -1.882   5.136  -1.435
   41   2HB   PRO   5          1HB       PRO   5  -3.425   5.077  -2.295
   42   1HG   PRO   5          2HG       PRO   5  -2.855   5.874   0.493
   43   2HG   PRO   5          1HG       PRO   5  -4.200   6.343  -0.559
   44   1HD   PRO   5          2HD       PRO   5  -4.144   4.288   1.466
   45   2HD   PRO   5          1HD       PRO   5  -5.512   4.793   0.452
   46    H    GLN   6           H        GLN   6  -3.129   1.909   0.992
   47    HA   GLN   6           HA       GLN   6  -0.782   2.462   2.316
   48   1HB   GLN   6          2HB       GLN   6  -2.874   0.566   2.528
   49   2HB   GLN   6          1HB       GLN   6  -1.364  -0.329   2.622
   50   1HG   GLN   6          2HG       GLN   6  -0.656   0.842   4.519
   51   2HG   GLN   6          1HG       GLN   6  -1.852   2.115   4.284
   52   1HE2  GLN   6          1HE2      GLN   6  -3.370   2.051   5.762
   53   2HE2  GLN   6          2HE2      GLN   6  -4.065   0.630   6.458
   54    H    LEU   7           H        LEU   7  -1.161   0.752  -0.625
   55    HA   LEU   7           HA       LEU   7   1.181  -0.863  -0.461
   56   1HB   LEU   7          2HB       LEU   7   0.840  -1.330  -2.773
   57   2HB   LEU   7          1HB       LEU   7  -0.733  -1.296  -1.999
   58    HG   LEU   7           HG       LEU   7  -0.767   1.192  -2.836
   59   1HD1  LEU   7          1HD1      LEU   7   1.253   1.616  -3.804
   60   2HD1  LEU   7          2HD1      LEU   7   0.370   1.031  -5.215
   61   3HD1  LEU   7          3HD1      LEU   7   1.466  -0.048  -4.351
   62   1HD2  LEU   7          1HD2      LEU   7  -1.430  -1.354  -4.172
   63   2HD2  LEU   7          2HD2      LEU   7  -1.454   0.091  -5.184
   64   3HD2  LEU   7          3HD2      LEU   7  -2.465   0.007  -3.741
   65    H    VAL   8           H        VAL   8   0.589   2.452  -1.094
   66    HA   VAL   8           HA       VAL   8   2.913   2.973  -2.652
   67    HB   VAL   8           HB       VAL   8   1.358   4.937  -0.967
   68   1HG1  VAL   8          1HG1      VAL   8   2.202   6.324  -3.109
   69   2HG1  VAL   8          2HG1      VAL   8   3.517   5.157  -2.966
   70   3HG1  VAL   8          3HG1      VAL   8   3.116   6.206  -1.606
   71   1HG2  VAL   8          1HG2      VAL   8  -0.024   3.587  -2.602
   72   2HG2  VAL   8          2HG2      VAL   8   0.912   4.355  -3.885
   73   3HG2  VAL   8          3HG2      VAL   8  -0.075   5.338  -2.805
   74    H    CYS   9           H        CYS   9   2.084   3.336   0.777
   75    HA   CYS   9           HA       CYS   9   4.536   4.434   1.602
   76   1HB   CYS   9          2HB       CYS   9   2.633   2.704   3.203
   77   2HB   CYS   9          1HB       CYS   9   3.879   3.755   3.866
   78    HG   CYS   9           HG       CYS   9   1.679   5.061   4.020
   79    H    ARG  10           H        ARG  10   3.412   1.060   1.444
   80    HA   ARG  10           HA       ARG  10   5.629  -0.192   2.561
   81   1HB   ARG  10          2HB       ARG  10   3.583  -1.400   1.881
   82   2HB   ARG  10          1HB       ARG  10   3.993  -1.135   0.192
   83   1HG   ARG  10          2HG       ARG  10   5.818  -2.598   0.287
   84   2HG   ARG  10          1HG       ARG  10   5.837  -2.594   2.052
   85   1HD   ARG  10          2HD       ARG  10   4.224  -4.160   2.201
   86   2HD   ARG  10          1HD       ARG  10   3.326  -3.511   0.830
   87    HE   ARG  10           HE       ARG  10   5.282  -5.613   0.784
   88   1HH1  ARG  10          1HH1      ARG  10   3.723  -3.125  -1.104
   89   2HH1  ARG  10          2HH1      ARG  10   4.018  -3.914  -2.616
   90   1HH2  ARG  10          1HH2      ARG  10   5.670  -6.652  -1.205
   91   2HH2  ARG  10          2HH2      ARG  10   5.123  -5.917  -2.674
   92    H    LEU  11           H        LEU  11   5.105   0.751  -0.826
   93    HA   LEU  11           HA       LEU  11   7.526  -0.083  -1.877
   94   1HB   LEU  11          2HB       LEU  11   5.942   0.767  -3.400
   95   2HB   LEU  11          1HB       LEU  11   5.738   2.253  -2.494
   96    HG   LEU  11           HG       LEU  11   7.893   3.064  -3.234
   97   1HD1  LEU  11          1HD1      LEU  11   8.380   0.904  -5.158
   98   2HD1  LEU  11          2HD1      LEU  11   8.624   0.463  -3.469
   99   3HD1  LEU  11          3HD1      LEU  11   9.512   1.819  -4.162
  100   1HD2  LEU  11          1HD2      LEU  11   6.074   2.013  -5.381
  101   2HD2  LEU  11          2HD2      LEU  11   7.463   3.039  -5.739
  102   3HD2  LEU  11          3HD2      LEU  11   6.161   3.643  -4.714
  103    H    VAL  12           H        VAL  12   6.719   2.705   0.082
  104    HA   VAL  12           HA       VAL  12   9.289   3.943  -0.119
  105    HB   VAL  12           HB       VAL  12   7.211   4.431   2.008
  106   1HG1  VAL  12          1HG1      VAL  12   8.954   5.657   2.760
  107   2HG1  VAL  12          2HG1      VAL  12   8.371   6.807   1.557
  108   3HG1  VAL  12          3HG1      VAL  12   9.722   5.739   1.174
  109   1HG2  VAL  12          1HG2      VAL  12   5.895   4.962   0.248
  110   2HG2  VAL  12          2HG2      VAL  12   7.260   5.160  -0.850
  111   3HG2  VAL  12          3HG2      VAL  12   6.838   6.452   0.273
  112    H    LEU  13           H        LEU  13   7.597   2.507   2.676
  113    HA   LEU  13           HA       LEU  13   9.789   2.361   4.374
  114   1HB   LEU  13          2HB       LEU  13   7.519   2.065   5.168
  115   2HB   LEU  13          1HB       LEU  13   7.349   0.593   4.231
  116    HG   LEU  13           HG       LEU  13   9.314  -0.291   5.668
  117   1HD1  LEU  13          1HD1      LEU  13   9.922   0.792   7.559
  118   2HD1  LEU  13          2HD1      LEU  13   8.330   1.516   7.791
  119   3HD1  LEU  13          3HD1      LEU  13   9.449   2.204   6.614
  120   1HD2  LEU  13          1HD2      LEU  13   7.518  -0.575   7.620
  121   2HD2  LEU  13          2HD2      LEU  13   7.407  -1.442   6.088
  122   3HD2  LEU  13          3HD2      LEU  13   6.449   0.016   6.347
  123    H    ARG  14           H        ARG  14   8.403  -0.285   2.406
  124    HA   ARG  14           HA       ARG  14  10.321  -2.206   2.953
  125   1HB   ARG  14          2HB       ARG  14   9.504  -3.415   1.120
  126   2HB   ARG  14          1HB       ARG  14   8.135  -2.431   1.613
  127   1HG   ARG  14          2HG       ARG  14   8.036  -2.080  -0.622
  128   2HG   ARG  14          1HG       ARG  14   9.150  -0.781  -0.197
  129   1HD   ARG  14          2HD       ARG  14  10.946  -2.681  -0.576
  130   2HD   ARG  14          1HD       ARG  14   9.670  -3.354  -1.590
  131    HE   ARG  14           HE       ARG  14  10.185  -0.581  -2.113
  132   1HH1  ARG  14          1HH1      ARG  14  11.196  -3.846  -2.831
  133   2HH1  ARG  14          2HH1      ARG  14  11.883  -3.428  -4.365
  134   1HH2  ARG  14          1HH2      ARG  14  11.084  -0.033  -4.131
  135   2HH2  ARG  14          2HH2      ARG  14  11.818  -1.263  -5.103
  136    H    CYS  15           H        CYS  15  10.378   0.463   0.669
  137    HA   CYS  15           HA       CYS  15  12.867  -0.373  -0.538
  138   1HB   CYS  15          2HB       CYS  15  11.322   0.964  -1.851
  139   2HB   CYS  15          1HB       CYS  15  11.386   2.262  -0.665
  140    HG   CYS  15           HG       CYS  15  13.420   1.753  -2.871
  141    H    SER  16           H        SER  16  11.897   1.603   2.149
  142    HA   SER  16           HA       SER  16  14.259   3.092   2.478
  143   1HB   SER  16          2HB       SER  16  11.892   2.443   4.126
  144   2HB   SER  16          1HB       SER  16  13.344   2.888   5.022
  145    HG   SER  16           HG       SER  16  12.189   4.406   2.920
  Start of MODEL    3
    1   1H    GLY   1          1HT       GLY   1 -10.010 -11.233   5.029
    2   2H    GLY   1          2HT       GLY   1 -11.159 -10.028   5.320
    3   3H    GLY   1          3HT       GLY   1  -9.924 -10.305   6.441
    4   1HA   GLY   1          1HA       GLY   1  -8.368  -9.192   5.267
    5   2HA   GLY   1          2HA       GLY   1  -9.083  -9.660   3.731
    6    H    ARG   2           H        ARG   2  -8.501  -7.297   3.391
    7    HA   ARG   2           HA       ARG   2 -10.860  -5.784   3.259
    8   1HB   ARG   2          2HB       ARG   2 -10.362  -5.605   5.732
    9   2HB   ARG   2          1HB       ARG   2  -8.911  -4.712   5.300
   10   1HG   ARG   2          2HG       ARG   2 -10.121  -2.858   5.323
   11   2HG   ARG   2          1HG       ARG   2 -10.991  -3.463   3.913
   12   1HD   ARG   2          2HD       ARG   2 -12.752  -3.138   5.323
   13   2HD   ARG   2          1HD       ARG   2 -12.334  -4.793   5.764
   14    HE   ARG   2           HE       ARG   2 -11.816  -4.034   7.846
   15   1HH1  ARG   2          1HH1      ARG   2 -11.641  -1.340   5.635
   16   2HH1  ARG   2          2HH1      ARG   2 -11.329  -0.178   6.879
   17   1HH2  ARG   2          1HH2      ARG   2 -11.408  -2.506   9.485
   18   2HH2  ARG   2          2HH2      ARG   2 -11.195  -0.838   9.065
   19    H    MET   3           H        MET   3  -7.335  -5.686   3.440
   20    HA   MET   3           HA       MET   3  -5.762  -4.660   2.150
   21   1HB   MET   3          2HB       MET   3  -8.059  -4.994   0.280
   22   2HB   MET   3          1HB       MET   3  -6.728  -3.964  -0.226
   23   1HG   MET   3          2HG       MET   3  -6.262  -6.090  -1.095
   24   2HG   MET   3          1HG       MET   3  -5.195  -5.896   0.296
   25   1HE   MET   3          1HE       MET   3  -5.714  -8.723   2.400
   26   2HE   MET   3          2HE       MET   3  -4.776  -7.354   1.805
   27   3HE   MET   3          3HE       MET   3  -4.881  -8.834   0.850
   28    H    LEU   4           H        LEU   4  -5.101  -2.663   1.160
   29    HA   LEU   4           HA       LEU   4  -6.808  -0.372   1.522
   30   1HB   LEU   4          2HB       LEU   4  -4.456   0.206   3.018
   31   2HB   LEU   4          1HB       LEU   4  -6.132   0.225   3.549
   32    HG   LEU   4           HG       LEU   4  -4.733  -2.401   3.475
   33   1HD1  LEU   4          1HD1      LEU   4  -4.260  -0.321   5.603
   34   2HD1  LEU   4          2HD1      LEU   4  -3.060  -0.946   4.473
   35   3HD1  LEU   4          3HD1      LEU   4  -3.769  -2.013   5.686
   36   1HD2  LEU   4          1HD2      LEU   4  -6.137  -1.936   5.866
   37   2HD2  LEU   4          2HD2      LEU   4  -6.620  -2.951   4.508
   38   3HD2  LEU   4          3HD2      LEU   4  -7.126  -1.263   4.571
   39    HA   PRO   5           HA       PRO   5  -3.744   1.399  -1.200
   40   1HB   PRO   5          2HB       PRO   5  -3.835   4.009  -0.621
   41   2HB   PRO   5          1HB       PRO   5  -5.260   3.154  -1.224
   42   1HG   PRO   5          2HG       PRO   5  -4.677   4.156   1.492
   43   2HG   PRO   5          1HG       PRO   5  -6.239   3.843   0.718
   44   1HD   PRO   5          2HD       PRO   5  -4.778   2.152   2.534
   45   2HD   PRO   5          1HD       PRO   5  -6.359   1.849   1.786
   46    H    GLN   6           H        GLN   6  -2.737   0.642   1.663
   47    HA   GLN   6           HA       GLN   6  -0.602   2.457   2.204
   48   1HB   GLN   6          2HB       GLN   6  -1.441  -0.219   3.238
   49   2HB   GLN   6          1HB       GLN   6   0.177   0.364   3.600
   50   1HG   GLN   6          2HG       GLN   6  -0.959   2.481   4.450
   51   2HG   GLN   6          1HG       GLN   6  -2.457   1.551   4.393
   52   1HE2  GLN   6          1HE2      GLN   6  -0.478   2.666   6.528
   53   2HE2  GLN   6          2HE2      GLN   6  -0.373   1.362   7.656
   54    H    LEU   7           H        LEU   7  -0.981   0.419  -0.328
   55    HA   LEU   7           HA       LEU   7   1.492  -0.930  -0.469
   56   1HB   LEU   7          2HB       LEU   7  -0.497  -1.486  -1.843
   57   2HB   LEU   7          1HB       LEU   7  -0.273   0.009  -2.732
   58    HG   LEU   7           HG       LEU   7   2.065  -1.795  -2.665
   59   1HD1  LEU   7          1HD1      LEU   7   1.242  -3.523  -3.865
   60   2HD1  LEU   7          2HD1      LEU   7   0.025  -2.531  -4.669
   61   3HD1  LEU   7          3HD1      LEU   7  -0.246  -3.098  -3.020
   62   1HD2  LEU   7          1HD2      LEU   7   1.712  -1.145  -5.220
   63   2HD2  LEU   7          2HD2      LEU   7   2.470  -0.050  -4.062
   64   3HD2  LEU   7          3HD2      LEU   7   0.770   0.152  -4.485
   65    H    VAL   8           H        VAL   8   0.575   2.340  -0.924
   66    HA   VAL   8           HA       VAL   8   2.691   3.097  -2.655
   67    HB   VAL   8           HB       VAL   8   1.165   4.876  -0.752
   68   1HG1  VAL   8          1HG1      VAL   8   3.178   5.891  -1.682
   69   2HG1  VAL   8          2HG1      VAL   8   1.729   6.648  -2.343
   70   3HG1  VAL   8          3HG1      VAL   8   2.640   5.489  -3.313
   71   1HG2  VAL   8          1HG2      VAL   8   0.463   3.828  -3.474
   72   2HG2  VAL   8          2HG2      VAL   8  -0.179   5.363  -2.889
   73   3HG2  VAL   8          3HG2      VAL   8  -0.524   3.872  -2.012
   74    H    CYS   9           H        CYS   9   2.124   3.755   0.800
   75    HA   CYS   9           HA       CYS   9   4.741   4.678   1.312
   76   1HB   CYS   9          2HB       CYS   9   2.397   3.873   2.955
   77   2HB   CYS   9          1HB       CYS   9   3.964   3.864   3.757
   78    HG   CYS   9           HG       CYS   9   3.528   6.248   4.105
   79    H    ARG  10           H        ARG  10   3.511   1.529   0.819
   80    HA   ARG  10           HA       ARG  10   5.448   0.114   2.387
   81   1HB   ARG  10          2HB       ARG  10   3.328  -0.948   1.726
   82   2HB   ARG  10          1HB       ARG  10   3.776  -0.802   0.031
   83   1HG   ARG  10          2HG       ARG  10   5.527  -2.384   0.269
   84   2HG   ARG  10          1HG       ARG  10   5.381  -2.375   2.028
   85   1HD   ARG  10          2HD       ARG  10   3.572  -3.739   2.020
   86   2HD   ARG  10          1HD       ARG  10   2.946  -3.076   0.511
   87    HE   ARG  10           HE       ARG  10   4.686  -5.343   0.821
   88   1HH1  ARG  10          1HH1      ARG  10   3.609  -2.838  -1.357
   89   2HH1  ARG  10          2HH1      ARG  10   4.028  -3.726  -2.784
   90   1HH2  ARG  10          1HH2      ARG  10   5.236  -6.513  -1.054
   91   2HH2  ARG  10          2HH2      ARG  10   4.950  -5.813  -2.613
   92    H    LEU  11           H        LEU  11   5.190   1.104  -1.001
   93    HA   LEU  11           HA       LEU  11   7.587  -0.110  -1.843
   94   1HB   LEU  11          2HB       LEU  11   7.364   1.092  -3.805
   95   2HB   LEU  11          1HB       LEU  11   5.710   1.052  -3.231
   96    HG   LEU  11           HG       LEU  11   6.517   3.381  -2.129
   97   1HD1  LEU  11          1HD1      LEU  11   8.222   2.912  -4.546
   98   2HD1  LEU  11          2HD1      LEU  11   8.684   3.539  -2.963
   99   3HD1  LEU  11          3HD1      LEU  11   7.738   4.539  -4.066
  100   1HD2  LEU  11          1HD2      LEU  11   5.601   4.391  -4.353
  101   2HD2  LEU  11          2HD2      LEU  11   4.547   3.430  -3.316
  102   3HD2  LEU  11          3HD2      LEU  11   5.270   2.707  -4.753
  103    H    VAL  12           H        VAL  12   6.824   2.871  -0.190
  104    HA   VAL  12           HA       VAL  12   9.498   3.910  -0.320
  105    HB   VAL  12           HB       VAL  12   7.258   4.838   1.467
  106   1HG1  VAL  12          1HG1      VAL  12   9.376   5.731   2.144
  107   2HG1  VAL  12          2HG1      VAL  12   8.480   7.006   1.317
  108   3HG1  VAL  12          3HG1      VAL  12   9.782   6.159   0.482
  109   1HG2  VAL  12          1HG2      VAL  12   7.710   5.178  -1.432
  110   2HG2  VAL  12          2HG2      VAL  12   7.260   6.629  -0.534
  111   3HG2  VAL  12          3HG2      VAL  12   6.211   5.211  -0.504
  112    H    LEU  13           H        LEU  13   7.532   2.218   2.057
  113    HA   LEU  13           HA       LEU  13   9.472   2.466   4.161
  114   1HB   LEU  13          2HB       LEU  13   6.894   2.109   4.323
  115   2HB   LEU  13          1HB       LEU  13   7.290   0.412   4.129
  116    HG   LEU  13           HG       LEU  13   7.050   0.872   6.468
  117   1HD1  LEU  13          1HD1      LEU  13   9.039  -0.520   5.530
  118   2HD1  LEU  13          2HD1      LEU  13   8.981  -0.112   7.245
  119   3HD1  LEU  13          3HD1      LEU  13  10.016   0.808   6.155
  120   1HD2  LEU  13          1HD2      LEU  13   7.816   2.697   7.553
  121   2HD2  LEU  13          2HD2      LEU  13   7.818   3.391   5.931
  122   3HD2  LEU  13          3HD2      LEU  13   9.312   2.758   6.621
  123    H    ARG  14           H        ARG  14   8.272  -0.264   2.217
  124    HA   ARG  14           HA       ARG  14  10.100  -2.167   3.126
  125   1HB   ARG  14          2HB       ARG  14   9.440  -3.517   1.305
  126   2HB   ARG  14          1HB       ARG  14   8.026  -2.547   1.683
  127   1HG   ARG  14          2HG       ARG  14   8.028  -2.333  -0.577
  128   2HG   ARG  14          1HG       ARG  14   9.064  -0.965  -0.166
  129   1HD   ARG  14          2HD       ARG  14  10.915  -2.900  -0.329
  130   2HD   ARG  14          1HD       ARG  14   9.729  -3.527  -1.474
  131    HE   ARG  14           HE       ARG  14  10.243  -0.779  -1.952
  132   1HH1  ARG  14          1HH1      ARG  14  11.621  -3.958  -2.391
  133   2HH1  ARG  14          2HH1      ARG  14  12.546  -3.501  -3.782
  134   1HH2  ARG  14          1HH2      ARG  14  11.460  -0.179  -3.780
  135   2HH2  ARG  14          2HH2      ARG  14  12.456  -1.355  -4.570
  136    H    CYS  15           H        CYS  15  10.330   0.322   0.672
  137    HA   CYS  15           HA       CYS  15  12.864  -0.599  -0.353
  138   1HB   CYS  15          2HB       CYS  15  11.418   0.748  -1.775
  139   2HB   CYS  15          1HB       CYS  15  11.482   2.080  -0.626
  140    HG   CYS  15           HG       CYS  15  13.763   1.270  -2.553
  141    H    SER  16           H        SER  16  11.815   1.429   2.252
  142    HA   SER  16           HA       SER  16  14.091   2.970   2.689
  143   1HB   SER  16          2HB       SER  16  11.655   2.510   4.008
  144   2HB   SER  16          1HB       SER  16  12.906   2.136   5.194
  145    HG   SER  16           HG       SER  16  12.073   4.524   4.356
  Start of MODEL    4
    1   1H    GLY   1          1HT       GLY   1 -10.400  -8.862   7.072
    2   2H    GLY   1          2HT       GLY   1 -10.366  -7.381   7.887
    3   3H    GLY   1          3HT       GLY   1  -9.566  -8.722   8.537
    4   1HA   GLY   1          1HA       GLY   1  -7.745  -7.857   7.601
    5   2HA   GLY   1          2HA       GLY   1  -8.397  -8.584   6.140
    6    H    ARG   2           H        ARG   2 -10.038  -7.150   4.971
    7    HA   ARG   2           HA       ARG   2 -10.479  -5.246   3.810
    8   1HB   ARG   2          2HB       ARG   2 -10.684  -4.496   6.375
    9   2HB   ARG   2          1HB       ARG   2  -9.331  -3.477   5.904
   10   1HG   ARG   2          2HG       ARG   2 -10.940  -2.925   3.870
   11   2HG   ARG   2          1HG       ARG   2 -12.167  -3.382   5.051
   12   1HD   ARG   2          2HD       ARG   2  -9.991  -1.428   5.722
   13   2HD   ARG   2          1HD       ARG   2 -11.474  -0.914   4.918
   14    HE   ARG   2           HE       ARG   2 -11.937  -2.452   7.298
   15   1HH1  ARG   2          1HH1      ARG   2 -11.307   0.744   6.046
   16   2HH1  ARG   2          2HH1      ARG   2 -12.031   1.552   7.397
   17   1HH2  ARG   2          1HH2      ARG   2 -12.890  -1.392   9.074
   18   2HH2  ARG   2          2HH2      ARG   2 -12.930   0.339   9.115
   19    H    MET   3           H        MET   3  -9.461  -3.937   2.325
   20    HA   MET   3           HA       MET   3  -6.518  -3.872   2.485
   21   1HB   MET   3          2HB       MET   3  -8.083  -5.034   0.523
   22   2HB   MET   3          1HB       MET   3  -7.667  -3.475  -0.176
   23   1HG   MET   3          2HG       MET   3  -5.564  -4.085  -0.560
   24   2HG   MET   3          1HG       MET   3  -5.386  -4.800   1.041
   25   1HE   MET   3          1HE       MET   3  -5.614  -7.580   1.445
   26   2HE   MET   3          2HE       MET   3  -4.196  -6.729   0.833
   27   3HE   MET   3          3HE       MET   3  -4.714  -8.236   0.077
   28    H    LEU   4           H        LEU   4  -5.468  -2.124   1.384
   29    HA   LEU   4           HA       LEU   4  -7.010   0.318   1.115
   30   1HB   LEU   4          2HB       LEU   4  -4.739   0.910   2.740
   31   2HB   LEU   4          1HB       LEU   4  -6.440   1.190   3.076
   32    HG   LEU   4           HG       LEU   4  -6.560  -1.164   3.949
   33   1HD1  LEU   4          1HD1      LEU   4  -3.674  -1.262   4.412
   34   2HD1  LEU   4          2HD1      LEU   4  -4.142  -1.483   2.727
   35   3HD1  LEU   4          3HD1      LEU   4  -4.800  -2.547   3.971
   36   1HD2  LEU   4          1HD2      LEU   4  -5.743  -0.585   6.087
   37   2HD2  LEU   4          2HD2      LEU   4  -6.260   0.925   5.338
   38   3HD2  LEU   4          3HD2      LEU   4  -4.544   0.520   5.412
   39    HA   PRO   5           HA       PRO   5  -3.542   1.370  -1.507
   40   1HB   PRO   5          2HB       PRO   5  -3.398   4.045  -1.289
   41   2HB   PRO   5          1HB       PRO   5  -4.828   3.243  -1.948
   42   1HG   PRO   5          2HG       PRO   5  -4.483   4.624   0.620
   43   2HG   PRO   5          1HG       PRO   5  -5.973   4.215  -0.243
   44   1HD   PRO   5          2HD       PRO   5  -4.686   2.801   1.948
   45   2HD   PRO   5          1HD       PRO   5  -6.277   2.503   1.215
   46    H    GLN   6           H        GLN   6  -2.793   0.813   1.404
   47    HA   GLN   6           HA       GLN   6  -0.636   2.530   2.080
   48   1HB   GLN   6          2HB       GLN   6  -2.033   0.429   3.302
   49   2HB   GLN   6          1HB       GLN   6  -0.369  -0.130   3.189
   50   1HG   GLN   6          2HG       GLN   6   0.138   2.276   4.139
   51   2HG   GLN   6          1HG       GLN   6  -1.516   2.131   4.733
   52   1HE2  GLN   6          1HE2      GLN   6  -1.741  -0.442   5.431
   53   2HE2  GLN   6          2HE2      GLN   6  -0.619  -0.846   6.680
   54    H    LEU   7           H        LEU   7  -0.870   0.502  -0.477
   55    HA   LEU   7           HA       LEU   7   1.604  -0.875  -0.414
   56   1HB   LEU   7          2HB       LEU   7  -0.232  -1.553  -1.877
   57   2HB   LEU   7          1HB       LEU   7  -0.109  -0.040  -2.754
   58    HG   LEU   7           HG       LEU   7   2.320  -1.750  -2.636
   59   1HD1  LEU   7          1HD1      LEU   7   1.589  -3.416  -3.964
   60   2HD1  LEU   7          2HD1      LEU   7   0.449  -2.378  -4.823
   61   3HD1  LEU   7          3HD1      LEU   7   0.029  -3.029  -3.238
   62   1HD2  LEU   7          1HD2      LEU   7   1.339  -0.577  -5.146
   63   2HD2  LEU   7          2HD2      LEU   7   2.949  -0.545  -4.428
   64   3HD2  LEU   7          3HD2      LEU   7   1.712   0.582  -3.870
   65    H    VAL   8           H        VAL   8   0.694   2.374  -1.084
   66    HA   VAL   8           HA       VAL   8   2.922   3.074  -2.696
   67    HB   VAL   8           HB       VAL   8   1.271   4.924  -0.973
   68   1HG1  VAL   8          1HG1      VAL   8   3.180   6.076  -1.735
   69   2HG1  VAL   8          2HG1      VAL   8   1.881   6.539  -2.833
   70   3HG1  VAL   8          3HG1      VAL   8   3.079   5.347  -3.338
   71   1HG2  VAL   8          1HG2      VAL   8  -0.239   3.668  -2.358
   72   2HG2  VAL   8          2HG2      VAL   8   0.772   3.935  -3.778
   73   3HG2  VAL   8          3HG2      VAL   8  -0.075   5.289  -3.033
   74    H    CYS   9           H        CYS   9   2.152   3.518   0.744
   75    HA   CYS   9           HA       CYS   9   4.694   4.640   1.388
   76   1HB   CYS   9          2HB       CYS   9   2.304   3.726   2.907
   77   2HB   CYS   9          1HB       CYS   9   3.829   3.780   3.785
   78    HG   CYS   9           HG       CYS   9   2.152   6.168   3.008
   79    H    ARG  10           H        ARG  10   3.430   1.402   1.147
   80    HA   ARG  10           HA       ARG  10   5.514   0.128   2.630
   81   1HB   ARG  10          2HB       ARG  10   3.304  -0.945   2.076
   82   2HB   ARG  10          1HB       ARG  10   3.833  -1.049   0.402
   83   1HG   ARG  10          2HG       ARG  10   5.850  -2.342   1.350
   84   2HG   ARG  10          1HG       ARG  10   4.853  -2.525   2.794
   85   1HD   ARG  10          2HD       ARG  10   4.036  -4.343   1.774
   86   2HD   ARG  10          1HD       ARG  10   3.107  -3.201   0.804
   87    HE   ARG  10           HE       ARG  10   4.357  -3.811  -0.998
   88   1HH1  ARG  10          1HH1      ARG  10   6.136  -4.639   1.889
   89   2HH1  ARG  10          2HH1      ARG  10   7.415  -5.423   1.026
   90   1HH2  ARG  10          1HH2      ARG  10   6.038  -4.845  -2.134
   91   2HH2  ARG  10          2HH2      ARG  10   7.361  -5.541  -1.258
   92    H    LEU  11           H        LEU  11   5.085   1.176  -0.670
   93    HA   LEU  11           HA       LEU  11   7.375  -0.114  -1.726
   94   1HB   LEU  11          2HB       LEU  11   5.857   0.713  -3.324
   95   2HB   LEU  11          1HB       LEU  11   5.738   2.274  -2.538
   96    HG   LEU  11           HG       LEU  11   7.891   2.937  -3.356
   97   1HD1  LEU  11          1HD1      LEU  11   8.215   0.054  -3.793
   98   2HD1  LEU  11          2HD1      LEU  11   9.418   1.294  -3.435
   99   3HD1  LEU  11          3HD1      LEU  11   8.842   1.076  -5.087
  100   1HD2  LEU  11          1HD2      LEU  11   7.240   3.348  -5.479
  101   2HD2  LEU  11          2HD2      LEU  11   5.728   2.636  -4.917
  102   3HD2  LEU  11          3HD2      LEU  11   6.886   1.653  -5.814
  103    H    VAL  12           H        VAL  12   6.757   2.872  -0.013
  104    HA   VAL  12           HA       VAL  12   9.448   3.850  -0.268
  105    HB   VAL  12           HB       VAL  12   7.301   4.846   1.596
  106   1HG1  VAL  12          1HG1      VAL  12   9.482   5.674   2.175
  107   2HG1  VAL  12          2HG1      VAL  12   8.564   6.975   1.414
  108   3HG1  VAL  12          3HG1      VAL  12   9.804   6.118   0.498
  109   1HG2  VAL  12          1HG2      VAL  12   7.654   5.164  -1.320
  110   2HG2  VAL  12          2HG2      VAL  12   7.267   6.625  -0.411
  111   3HG2  VAL  12          3HG2      VAL  12   6.190   5.231  -0.338
  112    H    LEU  13           H        LEU  13   7.566   2.087   2.086
  113    HA   LEU  13           HA       LEU  13   9.506   2.341   4.193
  114   1HB   LEU  13          2HB       LEU  13   6.878   1.817   4.216
  115   2HB   LEU  13          1HB       LEU  13   7.482   0.170   4.242
  116    HG   LEU  13           HG       LEU  13   7.074   0.858   6.499
  117   1HD1  LEU  13          1HD1      LEU  13   9.368  -0.259   5.695
  118   2HD1  LEU  13          2HD1      LEU  13   8.995   0.068   7.388
  119   3HD1  LEU  13          3HD1      LEU  13  10.008   1.187   6.475
  120   1HD2  LEU  13          1HD2      LEU  13   7.496   3.371   5.727
  121   2HD2  LEU  13          2HD2      LEU  13   9.075   3.042   6.440
  122   3HD2  LEU  13          3HD2      LEU  13   7.614   2.866   7.413
  123    H    ARG  14           H        ARG  14   8.330  -0.375   2.218
  124    HA   ARG  14           HA       ARG  14  10.246  -2.239   3.043
  125   1HB   ARG  14          2HB       ARG  14   9.562  -3.583   1.210
  126   2HB   ARG  14          1HB       ARG  14   8.129  -2.699   1.714
  127   1HG   ARG  14          2HG       ARG  14   7.939  -2.357  -0.507
  128   2HG   ARG  14          1HG       ARG  14   9.028  -1.014  -0.155
  129   1HD   ARG  14          2HD       ARG  14  10.856  -2.896  -0.550
  130   2HD   ARG  14          1HD       ARG  14   9.561  -3.588  -1.529
  131    HE   ARG  14           HE       ARG  14  10.074  -0.804  -2.054
  132   1HH1  ARG  14          1HH1      ARG  14  10.945  -4.087  -2.864
  133   2HH1  ARG  14          2HH1      ARG  14  11.556  -3.670  -4.430
  134   1HH2  ARG  14          1HH2      ARG  14  10.877  -0.256  -4.112
  135   2HH2  ARG  14          2HH2      ARG  14  11.518  -1.495  -5.139
  136    H    CYS  15           H        CYS  15  10.319   0.327   0.676
  137    HA   CYS  15           HA       CYS  15  12.830  -0.550  -0.479
  138   1HB   CYS  15          2HB       CYS  15  11.239   0.712  -1.849
  139   2HB   CYS  15          1HB       CYS  15  11.371   2.086  -0.757
  140    HG   CYS  15           HG       CYS  15  12.985   2.720  -2.559
  141    H    SER  16           H        SER  16  11.801   1.521   2.110
  142    HA   SER  16           HA       SER  16  14.324   2.873   2.365
  143   1HB   SER  16          2HB       SER  16  13.355   3.801   4.445
  144   2HB   SER  16          1HB       SER  16  12.274   4.000   3.067
  145    HG   SER  16           HG       SER  16  11.364   3.163   5.130
  Start of MODEL    5
    1   1H    GLY   1          1HT       GLY   1 -15.872  -0.232   6.650
    2   2H    GLY   1          2HT       GLY   1 -15.701  -1.899   6.419
    3   3H    GLY   1          3HT       GLY   1 -16.144  -0.907   5.122
    4   1HA   GLY   1          1HA       GLY   1 -13.615  -0.351   6.494
    5   2HA   GLY   1          2HA       GLY   1 -13.687  -1.730   5.407
    6    H    ARG   2           H        ARG   2 -12.002  -0.352   4.324
    7    HA   ARG   2           HA       ARG   2 -13.028   0.751   1.967
    8   1HB   ARG   2          2HB       ARG   2 -13.726   2.621   3.379
    9   2HB   ARG   2          1HB       ARG   2 -12.083   2.802   3.979
   10   1HG   ARG   2          2HG       ARG   2 -12.507   4.491   2.335
   11   2HG   ARG   2          1HG       ARG   2 -11.345   3.336   1.680
   12   1HD   ARG   2          2HD       ARG   2 -12.840   3.701  -0.077
   13   2HD   ARG   2          1HD       ARG   2 -13.371   2.177   0.632
   14    HE   ARG   2           HE       ARG   2 -14.728   4.441   1.736
   15   1HH1  ARG   2          1HH1      ARG   2 -14.675   2.212  -0.949
   16   2HH1  ARG   2          2HH1      ARG   2 -16.358   2.408  -1.306
   17   1HH2  ARG   2          1HH2      ARG   2 -16.942   4.699   1.268
   18   2HH2  ARG   2          2HH2      ARG   2 -17.645   3.820  -0.048
   19    H    MET   3           H        MET   3 -11.488   0.372   0.521
   20    HA   MET   3           HA       MET   3  -8.877  -0.411   1.195
   21   1HB   MET   3          2HB       MET   3 -10.329   0.200  -1.318
   22   2HB   MET   3          1HB       MET   3  -8.573   0.268  -1.394
   23   1HG   MET   3          2HG       MET   3  -9.948  -2.106  -0.209
   24   2HG   MET   3          1HG       MET   3  -9.785  -1.938  -1.957
   25   1HE   MET   3          1HE       MET   3  -7.752  -3.282   1.268
   26   2HE   MET   3          2HE       MET   3  -7.184  -4.432   0.057
   27   3HE   MET   3          3HE       MET   3  -8.902  -4.050   0.172
   28    H    LEU   4           H        LEU   4  -6.960   0.655  -0.011
   29    HA   LEU   4           HA       LEU   4  -6.935   3.508   0.064
   30   1HB   LEU   4          2HB       LEU   4  -6.352   1.907   2.417
   31   2HB   LEU   4          1HB       LEU   4  -5.008   2.940   1.978
   32    HG   LEU   4           HG       LEU   4  -7.487   4.407   1.891
   33   1HD1  LEU   4          1HD1      LEU   4  -8.439   3.076   3.532
   34   2HD1  LEU   4          2HD1      LEU   4  -7.700   4.384   4.456
   35   3HD1  LEU   4          3HD1      LEU   4  -6.900   2.814   4.352
   36   1HD2  LEU   4          1HD2      LEU   4  -6.082   5.595   3.819
   37   2HD2  LEU   4          2HD2      LEU   4  -5.698   5.792   2.109
   38   3HD2  LEU   4          3HD2      LEU   4  -4.790   4.642   3.090
   39    HA   PRO   5           HA       PRO   5  -3.051   2.720  -2.009
   40   1HB   PRO   5          2HB       PRO   5  -1.788   5.057  -1.655
   41   2HB   PRO   5          1HB       PRO   5  -3.318   4.967  -2.534
   42   1HG   PRO   5          2HG       PRO   5  -2.761   6.067   0.138
   43   2HG   PRO   5          1HG       PRO   5  -4.119   6.392  -0.951
   44   1HD   PRO   5          2HD       PRO   5  -3.994   4.561   1.301
   45   2HD   PRO   5          1HD       PRO   5  -5.400   5.013   0.315
   46    H    GLN   6           H        GLN   6  -3.134   2.052   1.013
   47    HA   GLN   6           HA       GLN   6  -0.792   2.657   2.315
   48   1HB   GLN   6          2HB       GLN   6  -2.650   0.333   2.376
   49   2HB   GLN   6          1HB       GLN   6  -1.104   0.163   3.197
   50   1HG   GLN   6          2HG       GLN   6  -1.621   2.238   4.465
   51   2HG   GLN   6          1HG       GLN   6  -3.221   2.233   3.725
   52   1HE2  GLN   6          1HE2      GLN   6  -3.840  -0.431   3.781
   53   2HE2  GLN   6          2HE2      GLN   6  -3.984  -0.963   5.418
   54    H    LEU   7           H        LEU   7  -1.156   0.761  -0.516
   55    HA   LEU   7           HA       LEU   7   1.176  -0.849  -0.229
   56   1HB   LEU   7          2HB       LEU   7  -0.595  -1.487  -1.764
   57   2HB   LEU   7          1HB       LEU   7  -0.362  -0.015  -2.687
   58    HG   LEU   7           HG       LEU   7   2.023  -1.734  -2.425
   59   1HD1  LEU   7          1HD1      LEU   7   1.233  -3.227  -4.247
   60   2HD1  LEU   7          2HD1      LEU   7  -0.393  -2.586  -4.010
   61   3HD1  LEU   7          3HD1      LEU   7   0.403  -3.475  -2.711
   62   1HD2  LEU   7          1HD2      LEU   7   2.619  -0.735  -4.354
   63   2HD2  LEU   7          2HD2      LEU   7   1.394   0.444  -3.884
   64   3HD2  LEU   7          3HD2      LEU   7   0.995  -0.833  -5.033
   65    H    VAL   8           H        VAL   8   0.554   2.405  -1.208
   66    HA   VAL   8           HA       VAL   8   2.911   2.857  -2.698
   67    HB   VAL   8           HB       VAL   8   1.342   4.886  -1.101
   68   1HG1  VAL   8          1HG1      VAL   8   2.199   6.434  -2.893
   69   2HG1  VAL   8          2HG1      VAL   8   3.279   5.132  -3.393
   70   3HG1  VAL   8          3HG1      VAL   8   3.418   5.821  -1.776
   71   1HG2  VAL   8          1HG2      VAL   8   0.130   3.384  -2.875
   72   2HG2  VAL   8          2HG2      VAL   8   0.936   4.451  -4.024
   73   3HG2  VAL   8          3HG2      VAL   8  -0.166   5.122  -2.822
   74    H    CYS   9           H        CYS   9   2.066   3.179   0.708
   75    HA   CYS   9           HA       CYS   9   4.488   4.353   1.553
   76   1HB   CYS   9          2HB       CYS   9   2.367   2.757   2.985
   77   2HB   CYS   9          1HB       CYS   9   3.805   3.336   3.818
   78    HG   CYS   9           HG       CYS   9   2.378   5.617   2.465
   79    H    ARG  10           H        ARG  10   3.413   0.985   1.274
   80    HA   ARG  10           HA       ARG  10   5.612  -0.276   2.428
   81   1HB   ARG  10          2HB       ARG  10   3.413  -1.261   1.367
   82   2HB   ARG  10          1HB       ARG  10   4.398  -1.376  -0.084
   83   1HG   ARG  10          2HG       ARG  10   6.034  -2.729   1.176
   84   2HG   ARG  10          1HG       ARG  10   4.960  -2.672   2.575
   85   1HD   ARG  10          2HD       ARG  10   4.159  -4.597   1.730
   86   2HD   ARG  10          1HD       ARG  10   3.250  -3.527   0.664
   87    HE   ARG  10           HE       ARG  10   5.607  -3.924  -0.642
   88   1HH1  ARG  10          1HH1      ARG  10   3.155  -6.038   0.662
   89   2HH1  ARG  10          2HH1      ARG  10   3.424  -7.281  -0.515
   90   1HH2  ARG  10          1HH2      ARG  10   5.961  -5.556  -2.188
   91   2HH2  ARG  10          2HH2      ARG  10   5.016  -7.007  -2.133
   92    H    LEU  11           H        LEU  11   5.138   0.757  -0.935
   93    HA   LEU  11           HA       LEU  11   7.580  -0.012  -1.981
   94   1HB   LEU  11          2HB       LEU  11   6.032   0.879  -3.506
   95   2HB   LEU  11          1HB       LEU  11   5.757   2.312  -2.535
   96    HG   LEU  11           HG       LEU  11   7.888   3.234  -3.183
   97   1HD1  LEU  11          1HD1      LEU  11   8.989   1.760  -5.151
   98   2HD1  LEU  11          2HD1      LEU  11   8.376   0.481  -4.103
   99   3HD1  LEU  11          3HD1      LEU  11   9.496   1.683  -3.464
  100   1HD2  LEU  11          1HD2      LEU  11   6.094   2.231  -5.354
  101   2HD2  LEU  11          2HD2      LEU  11   7.541   3.157  -5.753
  102   3HD2  LEU  11          3HD2      LEU  11   6.293   3.868  -4.730
  103    H    VAL  12           H        VAL  12   6.713   2.727   0.033
  104    HA   VAL  12           HA       VAL  12   9.283   3.973  -0.074
  105    HB   VAL  12           HB       VAL  12   7.177   4.386   2.043
  106   1HG1  VAL  12          1HG1      VAL  12   8.954   5.583   2.809
  107   2HG1  VAL  12          2HG1      VAL  12   8.271   6.782   1.711
  108   3HG1  VAL  12          3HG1      VAL  12   9.644   5.800   1.200
  109   1HG2  VAL  12          1HG2      VAL  12   5.871   4.906   0.262
  110   2HG2  VAL  12          2HG2      VAL  12   7.246   5.218  -0.797
  111   3HG2  VAL  12          3HG2      VAL  12   6.744   6.432   0.380
  112    H    LEU  13           H        LEU  13   7.559   2.547   2.704
  113    HA   LEU  13           HA       LEU  13   9.707   2.314   4.420
  114   1HB   LEU  13          2HB       LEU  13   7.313   1.951   5.004
  115   2HB   LEU  13          1HB       LEU  13   7.391   0.389   4.211
  116    HG   LEU  13           HG       LEU  13   9.231  -0.213   5.855
  117   1HD1  LEU  13          1HD1      LEU  13   9.102   1.102   8.001
  118   2HD1  LEU  13          2HD1      LEU  13   8.258   2.353   7.087
  119   3HD1  LEU  13          3HD1      LEU  13   9.910   1.907   6.656
  120   1HD2  LEU  13          1HD2      LEU  13   7.380  -0.239   7.789
  121   2HD2  LEU  13          2HD2      LEU  13   7.343  -1.332   6.406
  122   3HD2  LEU  13          3HD2      LEU  13   6.348   0.124   6.407
  123    H    ARG  14           H        ARG  14   8.377  -0.298   2.370
  124    HA   ARG  14           HA       ARG  14  10.301  -2.217   2.886
  125   1HB   ARG  14          2HB       ARG  14   9.507  -3.382   1.023
  126   2HB   ARG  14          1HB       ARG  14   8.135  -2.386   1.480
  127   1HG   ARG  14          2HG       ARG  14   8.123  -2.015  -0.756
  128   2HG   ARG  14          1HG       ARG  14   9.221  -0.724  -0.271
  129   1HD   ARG  14          2HD       ARG  14  11.023  -2.635  -0.606
  130   2HD   ARG  14          1HD       ARG  14   9.785  -3.272  -1.689
  131    HE   ARG  14           HE       ARG  14  10.335  -0.494  -2.132
  132   1HH1  ARG  14          1HH1      ARG  14  11.391  -3.744  -2.852
  133   2HH1  ARG  14          2HH1      ARG  14  12.161  -3.297  -4.338
  134   1HH2  ARG  14          1HH2      ARG  14  11.343   0.091  -4.088
  135   2HH2  ARG  14          2HH2      ARG  14  12.132  -1.120  -5.041
  136    H    CYS  15           H        CYS  15  10.387   0.518   0.684
  137    HA   CYS  15           HA       CYS  15  12.885  -0.259  -0.527
  138   1HB   CYS  15          2HB       CYS  15  11.388   1.135  -1.804
  139   2HB   CYS  15          1HB       CYS  15  11.369   2.359  -0.540
  140    HG   CYS  15           HG       CYS  15  13.767   1.846  -2.447
  141    H    SER  16           H        SER  16  11.910   1.608   2.244
  142    HA   SER  16           HA       SER  16  14.165   3.149   2.699
  143   1HB   SER  16          2HB       SER  16  12.560   1.785   4.865
  144   2HB   SER  16          1HB       SER  16  13.459   3.297   4.988
  145    HG   SER  16           HG       SER  16  11.199   3.619   4.705
  Start of MODEL    6
    1   1H    GLY   1          1HT       GLY   1 -15.732  -2.176   4.999
    2   2H    GLY   1          2HT       GLY   1 -16.059  -1.421   3.521
    3   3H    GLY   1          3HT       GLY   1 -15.492  -0.510   4.828
    4   1HA   GLY   1          1HA       GLY   1 -13.361  -1.513   4.748
    5   2HA   GLY   1          2HA       GLY   1 -13.932  -2.701   3.586
    6    H    ARG   2           H        ARG   2 -12.586   0.404   4.037
    7    HA   ARG   2           HA       ARG   2 -12.889   1.019   1.176
    8   1HB   ARG   2          2HB       ARG   2 -13.707   2.715   2.832
    9   2HB   ARG   2          1HB       ARG   2 -12.049   2.895   3.390
   10   1HG   ARG   2          2HG       ARG   2 -11.843   4.504   1.875
   11   2HG   ARG   2          1HG       ARG   2 -11.855   3.230   0.654
   12   1HD   ARG   2          2HD       ARG   2 -14.103   3.548   0.164
   13   2HD   ARG   2          1HD       ARG   2 -14.426   4.349   1.702
   14    HE   ARG   2           HE       ARG   2 -13.789   6.341   0.764
   15   1HH1  ARG   2          1HH1      ARG   2 -12.759   3.728  -1.310
   16   2HH1  ARG   2          2HH1      ARG   2 -12.294   4.776  -2.608
   17   1HH2  ARG   2          1HH2      ARG   2 -13.180   7.719  -0.943
   18   2HH2  ARG   2          2HH2      ARG   2 -12.534   7.042  -2.400
   19    H    MET   3           H        MET   3 -11.193   0.631  -0.072
   20    HA   MET   3           HA       MET   3  -8.694  -0.232   0.852
   21   1HB   MET   3          2HB       MET   3  -9.855   0.522  -1.751
   22   2HB   MET   3          1HB       MET   3  -8.108   0.689  -1.642
   23   1HG   MET   3          2HG       MET   3  -9.560  -1.828  -0.882
   24   2HG   MET   3          1HG       MET   3  -8.969  -1.510  -2.512
   25   1HE   MET   3          1HE       MET   3  -6.822  -3.563   0.688
   26   2HE   MET   3          2HE       MET   3  -7.805  -4.184  -0.637
   27   3HE   MET   3          3HE       MET   3  -8.524  -3.116   0.569
   28    H    LEU   4           H        LEU   4  -6.656   0.913  -0.150
   29    HA   LEU   4           HA       LEU   4  -6.615   3.747   0.262
   30   1HB   LEU   4          2HB       LEU   4  -6.151   1.857   2.418
   31   2HB   LEU   4          1HB       LEU   4  -4.776   2.911   2.167
   32    HG   LEU   4           HG       LEU   4  -7.244   4.415   2.177
   33   1HD1  LEU   4          1HD1      LEU   4  -7.889   4.089   4.475
   34   2HD1  LEU   4          2HD1      LEU   4  -6.629   2.873   4.691
   35   3HD1  LEU   4          3HD1      LEU   4  -7.988   2.552   3.614
   36   1HD2  LEU   4          1HD2      LEU   4  -5.432   5.731   2.598
   37   2HD2  LEU   4          2HD2      LEU   4  -4.588   4.470   3.500
   38   3HD2  LEU   4          3HD2      LEU   4  -5.904   5.367   4.258
   39    HA   PRO   5           HA       PRO   5  -2.675   3.158  -1.758
   40   1HB   PRO   5          2HB       PRO   5  -1.352   5.371  -1.057
   41   2HB   PRO   5          1HB       PRO   5  -2.869   5.464  -1.960
   42   1HG   PRO   5          2HG       PRO   5  -2.324   6.111   0.867
   43   2HG   PRO   5          1HG       PRO   5  -3.615   6.698  -0.193
   44   1HD   PRO   5          2HD       PRO   5  -3.718   4.562   1.751
   45   2HD   PRO   5          1HD       PRO   5  -5.036   5.204   0.750
   46    H    GLN   6           H        GLN   6  -2.870   2.141   1.198
   47    HA   GLN   6           HA       GLN   6  -0.497   2.460   2.556
   48   1HB   GLN   6          2HB       GLN   6  -2.529   0.300   2.396
   49   2HB   GLN   6          1HB       GLN   6  -0.989  -0.109   3.139
   50   1HG   GLN   6          2HG       GLN   6  -1.379   1.145   4.964
   51   2HG   GLN   6          1HG       GLN   6  -2.226   2.397   4.058
   52   1HE2  GLN   6          1HE2      GLN   6  -3.934   2.544   5.464
   53   2HE2  GLN   6          2HE2      GLN   6  -5.110   1.292   5.656
   54    H    LEU   7           H        LEU   7  -0.998   0.894  -0.451
   55    HA   LEU   7           HA       LEU   7   1.274  -0.844  -0.339
   56   1HB   LEU   7          2HB       LEU   7  -0.581  -1.346  -1.823
   57   2HB   LEU   7          1HB       LEU   7  -0.355   0.174  -2.668
   58    HG   LEU   7           HG       LEU   7   2.073  -0.873  -3.072
   59   1HD1  LEU   7          1HD1      LEU   7   2.232  -3.119  -3.002
   60   2HD1  LEU   7          2HD1      LEU   7   0.543  -3.362  -3.447
   61   3HD1  LEU   7          3HD1      LEU   7   0.967  -2.959  -1.783
   62   1HD2  LEU   7          1HD2      LEU   7   1.214  -1.692  -5.250
   63   2HD2  LEU   7          2HD2      LEU   7   0.643  -0.077  -4.832
   64   3HD2  LEU   7          3HD2      LEU   7  -0.428  -1.465  -4.648
   65    H    VAL   8           H        VAL   8   0.663   2.454  -1.280
   66    HA   VAL   8           HA       VAL   8   3.063   2.865  -2.731
   67    HB   VAL   8           HB       VAL   8   1.439   4.949  -1.264
   68   1HG1  VAL   8          1HG1      VAL   8   2.804   5.575  -3.797
   69   2HG1  VAL   8          2HG1      VAL   8   3.859   5.266  -2.418
   70   3HG1  VAL   8          3HG1      VAL   8   2.637   6.535  -2.327
   71   1HG2  VAL   8          1HG2      VAL   8  -0.124   4.944  -2.881
   72   2HG2  VAL   8          2HG2      VAL   8   0.432   3.295  -3.164
   73   3HG2  VAL   8          3HG2      VAL   8   1.050   4.616  -4.157
   74    H    CYS   9           H        CYS   9   2.138   3.194   0.647
   75    HA   CYS   9           HA       CYS   9   4.593   4.406   1.468
   76   1HB   CYS   9          2HB       CYS   9   2.616   2.896   3.193
   77   2HB   CYS   9          1HB       CYS   9   3.802   4.083   3.727
   78    HG   CYS   9           HG       CYS   9   2.354   5.956   2.814
   79    H    ARG  10           H        ARG  10   3.471   1.132   1.024
   80    HA   ARG  10           HA       ARG  10   5.572  -0.115   2.517
   81   1HB   ARG  10          2HB       ARG  10   3.378  -1.213   1.813
   82   2HB   ARG  10          1HB       ARG  10   4.055  -1.322   0.193
   83   1HG   ARG  10          2HG       ARG  10   5.898  -2.683   1.066
   84   2HG   ARG  10          1HG       ARG  10   5.187  -2.591   2.679
   85   1HD   ARG  10          2HD       ARG  10   3.750  -4.229   2.225
   86   2HD   ARG  10          1HD       ARG  10   3.248  -3.462   0.719
   87    HE   ARG  10           HE       ARG  10   5.146  -5.597   1.031
   88   1HH1  ARG  10          1HH1      ARG  10   4.127  -2.956  -1.009
   89   2HH1  ARG  10          2HH1      ARG  10   4.801  -3.643  -2.448
   90   1HH2  ARG  10          1HH2      ARG  10   6.033  -6.503  -0.859
   91   2HH2  ARG  10          2HH2      ARG  10   5.883  -5.658  -2.364
   92    H    LEU  11           H        LEU  11   5.162   1.065  -0.734
   93    HA   LEU  11           HA       LEU  11   7.520  -0.088  -1.809
   94   1HB   LEU  11          2HB       LEU  11   5.920   0.757  -3.355
   95   2HB   LEU  11          1HB       LEU  11   5.852   2.312  -2.548
   96    HG   LEU  11           HG       LEU  11   8.042   2.902  -3.372
   97   1HD1  LEU  11          1HD1      LEU  11   9.158   1.332  -5.017
   98   2HD1  LEU  11          2HD1      LEU  11   8.091   0.075  -4.390
   99   3HD1  LEU  11          3HD1      LEU  11   9.240   0.872  -3.316
  100   1HD2  LEU  11          1HD2      LEU  11   6.150   1.811  -5.436
  101   2HD2  LEU  11          2HD2      LEU  11   7.594   2.730  -5.859
  102   3HD2  LEU  11          3HD2      LEU  11   6.327   3.476  -4.883
  103    H    VAL  12           H        VAL  12   6.744   2.773   0.041
  104    HA   VAL  12           HA       VAL  12   9.404   3.868  -0.124
  105    HB   VAL  12           HB       VAL  12   7.150   4.728   1.682
  106   1HG1  VAL  12          1HG1      VAL  12   8.882   5.894   2.551
  107   2HG1  VAL  12          2HG1      VAL  12   8.551   6.959   1.184
  108   3HG1  VAL  12          3HG1      VAL  12   9.848   5.768   1.079
  109   1HG2  VAL  12          1HG2      VAL  12   6.703   4.698  -0.852
  110   2HG2  VAL  12          2HG2      VAL  12   7.844   6.040  -0.921
  111   3HG2  VAL  12          3HG2      VAL  12   6.372   6.183   0.039
  112    H    LEU  13           H        LEU  13   7.539   1.904   2.055
  113    HA   LEU  13           HA       LEU  13   9.356   2.163   4.275
  114   1HB   LEU  13          2HB       LEU  13   6.807   1.598   4.275
  115   2HB   LEU  13          1HB       LEU  13   7.349  -0.043   3.979
  116    HG   LEU  13           HG       LEU  13   8.877   0.880   6.152
  117   1HD1  LEU  13          1HD1      LEU  13   7.555   2.009   7.585
  118   2HD1  LEU  13          2HD1      LEU  13   6.084   1.210   7.032
  119   3HD1  LEU  13          3HD1      LEU  13   6.766   2.544   6.102
  120   1HD2  LEU  13          1HD2      LEU  13   7.071  -0.736   7.304
  121   2HD2  LEU  13          2HD2      LEU  13   8.405  -1.324   6.312
  122   3HD2  LEU  13          3HD2      LEU  13   6.797  -1.144   5.611
  123    H    ARG  14           H        ARG  14   8.416  -0.515   2.128
  124    HA   ARG  14           HA       ARG  14  10.415  -2.297   2.948
  125   1HB   ARG  14          2HB       ARG  14   9.861  -3.608   1.049
  126   2HB   ARG  14          1HB       ARG  14   8.365  -2.830   1.545
  127   1HG   ARG  14          2HG       ARG  14   8.220  -2.435  -0.674
  128   2HG   ARG  14          1HG       ARG  14   9.186  -1.025  -0.234
  129   1HD   ARG  14          2HD       ARG  14  11.174  -2.730  -0.633
  130   2HD   ARG  14          1HD       ARG  14   9.975  -3.500  -1.673
  131    HE   ARG  14           HE       ARG  14  10.233  -0.672  -2.113
  132   1HH1  ARG  14          1HH1      ARG  14  11.496  -3.819  -2.941
  133   2HH1  ARG  14          2HH1      ARG  14  12.138  -3.298  -4.463
  134   1HH2  ARG  14          1HH2      ARG  14  11.078   0.013  -4.114
  135   2HH2  ARG  14          2HH2      ARG  14  11.900  -1.125  -5.130
  136    H    CYS  15           H        CYS  15  10.373   0.328   0.630
  137    HA   CYS  15           HA       CYS  15  12.973  -0.326  -0.464
  138   1HB   CYS  15          2HB       CYS  15  11.330   0.893  -1.821
  139   2HB   CYS  15          1HB       CYS  15  11.364   2.228  -0.674
  140    HG   CYS  15           HG       CYS  15  13.467   1.649  -2.820
  141    H    SER  16           H        SER  16  11.725   1.608   2.143
  142    HA   SER  16           HA       SER  16  13.908   3.303   2.576
  143   1HB   SER  16          2HB       SER  16  11.607   2.345   4.181
  144   2HB   SER  16          1HB       SER  16  12.975   2.988   5.086
  145    HG   SER  16           HG       SER  16  12.686   4.933   4.180
  Start of MODEL    7
    1   1H    GLY   1          1HT       GLY   1 -10.163  -8.287   7.074
    2   2H    GLY   1          2HT       GLY   1  -8.931  -7.170   6.762
    3   3H    GLY   1          3HT       GLY   1  -9.979  -7.641   5.521
    4   1HA   GLY   1          1HA       GLY   1 -11.848  -6.689   6.889
    5   2HA   GLY   1          2HA       GLY   1 -10.594  -5.968   7.885
    6    H    ARG   2           H        ARG   2 -11.044  -3.850   7.410
    7    HA   ARG   2           HA       ARG   2 -11.562  -2.817   4.855
    8   1HB   ARG   2          2HB       ARG   2 -11.668  -1.789   7.337
    9   2HB   ARG   2          1HB       ARG   2 -10.149  -1.081   6.804
   10   1HG   ARG   2          2HG       ARG   2 -11.225  -0.009   4.952
   11   2HG   ARG   2          1HG       ARG   2 -12.739  -0.850   5.289
   12   1HD   ARG   2          2HD       ARG   2 -12.990   1.337   6.153
   13   2HD   ARG   2          1HD       ARG   2 -12.726   0.285   7.543
   14    HE   ARG   2           HE       ARG   2 -10.316   1.476   6.531
   15   1HH1  ARG   2          1HH1      ARG   2 -13.051   1.925   8.651
   16   2HH1  ARG   2          2HH1      ARG   2 -12.239   3.076   9.659
   17   1HH2  ARG   2          1HH2      ARG   2  -9.247   2.990   7.854
   18   2HH2  ARG   2          2HH2      ARG   2 -10.080   3.681   9.206
   19    H    MET   3           H        MET   3 -10.239  -1.623   3.422
   20    HA   MET   3           HA       MET   3  -7.373  -2.292   3.601
   21   1HB   MET   3          2HB       MET   3  -9.232  -2.866   1.555
   22   2HB   MET   3          1HB       MET   3  -8.189  -1.597   0.928
   23   1HG   MET   3          2HG       MET   3  -7.373  -3.831   0.370
   24   2HG   MET   3          1HG       MET   3  -6.231  -2.935   1.370
   25   1HE   MET   3          1HE       MET   3  -5.442  -6.403   2.640
   26   2HE   MET   3          2HE       MET   3  -4.848  -4.790   3.036
   27   3HE   MET   3          3HE       MET   3  -5.166  -5.227   1.356
   28    H    LEU   4           H        LEU   4  -5.978  -0.828   2.318
   29    HA   LEU   4           HA       LEU   4  -6.880   1.930   2.269
   30   1HB   LEU   4          2HB       LEU   4  -4.369   1.834   3.647
   31   2HB   LEU   4          1HB       LEU   4  -5.887   2.558   4.153
   32    HG   LEU   4           HG       LEU   4  -5.463  -0.382   4.506
   33   1HD1  LEU   4          1HD1      LEU   4  -4.818   1.027   6.903
   34   2HD1  LEU   4          2HD1      LEU   4  -3.744   1.557   5.609
   35   3HD1  LEU   4          3HD1      LEU   4  -3.859  -0.155   6.014
   36   1HD2  LEU   4          1HD2      LEU   4  -7.380  -0.244   5.620
   37   2HD2  LEU   4          2HD2      LEU   4  -7.509   1.435   5.096
   38   3HD2  LEU   4          3HD2      LEU   4  -6.752   1.050   6.641
   39    HA   PRO   5           HA       PRO   5  -3.540   2.220  -0.695
   40   1HB   PRO   5          2HB       PRO   5  -2.694   4.762  -0.412
   41   2HB   PRO   5          1HB       PRO   5  -4.333   4.376  -0.946
   42   1HG   PRO   5          2HG       PRO   5  -3.433   5.511   1.599
   43   2HG   PRO   5          1HG       PRO   5  -5.060   5.477   0.900
   44   1HD   PRO   5          2HD       PRO   5  -3.874   3.702   2.889
   45   2HD   PRO   5          1HD       PRO   5  -5.573   3.838   2.386
   46    H    GLN   6           H        GLN   6  -2.638   1.223   1.992
   47    HA   GLN   6           HA       GLN   6  -0.117   2.334   2.619
   48   1HB   GLN   6          2HB       GLN   6  -1.617  -0.123   3.340
   49   2HB   GLN   6          1HB       GLN   6   0.124  -0.162   3.578
   50   1HG   GLN   6          2HG       GLN   6  -0.847   2.292   4.615
   51   2HG   GLN   6          1HG       GLN   6  -1.868   0.992   5.227
   52   1HE2  GLN   6          1HE2      GLN   6  -0.581  -0.964   5.996
   53   2HE2  GLN   6          2HE2      GLN   6   0.805  -0.623   6.970
   54    H    LEU   7           H        LEU   7  -0.985   0.843  -0.165
   55    HA   LEU   7           HA       LEU   7   1.227  -0.912  -0.575
   56   1HB   LEU   7          2HB       LEU   7  -0.826  -1.209  -1.834
   57   2HB   LEU   7          1HB       LEU   7  -0.678   0.399  -2.516
   58    HG   LEU   7           HG       LEU   7   1.555  -1.495  -3.015
   59   1HD1  LEU   7          1HD1      LEU   7   0.473  -2.892  -4.417
   60   2HD1  LEU   7          2HD1      LEU   7  -0.693  -1.667  -4.915
   61   3HD1  LEU   7          3HD1      LEU   7  -0.903  -2.512  -3.381
   62   1HD2  LEU   7          1HD2      LEU   7   0.303   0.105  -5.148
   63   2HD2  LEU   7          2HD2      LEU   7   2.005  -0.120  -4.743
   64   3HD2  LEU   7          3HD2      LEU   7   1.023   1.021  -3.823
   65    H    VAL   8           H        VAL   8   0.542   2.464  -1.153
   66    HA   VAL   8           HA       VAL   8   2.814   2.976  -2.776
   67    HB   VAL   8           HB       VAL   8   1.299   4.966  -1.085
   68   1HG1  VAL   8          1HG1      VAL   8   3.166   6.095  -1.826
   69   2HG1  VAL   8          2HG1      VAL   8   2.019   6.422  -3.125
   70   3HG1  VAL   8          3HG1      VAL   8   3.255   5.181  -3.330
   71   1HG2  VAL   8          1HG2      VAL   8   0.665   3.737  -3.737
   72   2HG2  VAL   8          2HG2      VAL   8   0.150   5.384  -3.374
   73   3HG2  VAL   8          3HG2      VAL   8  -0.397   4.045  -2.364
   74    H    CYS   9           H        CYS   9   2.069   3.637   0.635
   75    HA   CYS   9           HA       CYS   9   4.621   4.611   1.323
   76   1HB   CYS   9          2HB       CYS   9   2.248   4.498   2.615
   77   2HB   CYS   9          1HB       CYS   9   3.077   3.161   3.404
   78    HG   CYS   9           HG       CYS   9   4.744   5.691   3.433
   79    H    ARG  10           H        ARG  10   3.508   1.437   0.665
   80    HA   ARG  10           HA       ARG  10   5.432   0.021   2.240
   81   1HB   ARG  10          2HB       ARG  10   3.236  -0.657   0.589
   82   2HB   ARG  10          1HB       ARG  10   4.643  -1.431  -0.126
   83   1HG   ARG  10          2HG       ARG  10   4.724  -2.974   1.469
   84   2HG   ARG  10          1HG       ARG  10   4.571  -1.768   2.749
   85   1HD   ARG  10          2HD       ARG  10   2.591  -2.782   3.109
   86   2HD   ARG  10          1HD       ARG  10   2.057  -1.758   1.777
   87    HE   ARG  10           HE       ARG  10   2.991  -4.028   0.574
   88   1HH1  ARG  10          1HH1      ARG  10   0.582  -3.337   3.005
   89   2HH1  ARG  10          2HH1      ARG  10  -0.411  -4.691   2.582
   90   1HH2  ARG  10          1HH2      ARG  10   1.686  -5.807   0.018
   91   2HH2  ARG  10          2HH2      ARG  10   0.216  -6.094   0.888
   92    H    LEU  11           H        LEU  11   5.250   0.894  -1.213
   93    HA   LEU  11           HA       LEU  11   7.741  -0.110  -1.943
   94   1HB   LEU  11          2HB       LEU  11   7.577   1.166  -3.871
   95   2HB   LEU  11          1HB       LEU  11   5.900   1.012  -3.388
   96    HG   LEU  11           HG       LEU  11   6.613   3.347  -2.150
   97   1HD1  LEU  11          1HD1      LEU  11   8.174   3.095  -4.705
   98   2HD1  LEU  11          2HD1      LEU  11   8.754   3.565  -3.107
   99   3HD1  LEU  11          3HD1      LEU  11   7.709   4.653  -4.021
  100   1HD2  LEU  11          1HD2      LEU  11   5.630   3.340  -4.978
  101   2HD2  LEU  11          2HD2      LEU  11   5.146   4.369  -3.631
  102   3HD2  LEU  11          3HD2      LEU  11   4.643   2.680  -3.674
  103    H    VAL  12           H        VAL  12   6.817   2.759  -0.192
  104    HA   VAL  12           HA       VAL  12   9.426   3.946  -0.206
  105    HB   VAL  12           HB       VAL  12   7.123   4.612   1.614
  106   1HG1  VAL  12          1HG1      VAL  12   9.665   5.474   1.801
  107   2HG1  VAL  12          2HG1      VAL  12   8.267   6.446   2.262
  108   3HG1  VAL  12          3HG1      VAL  12   9.014   6.671   0.680
  109   1HG2  VAL  12          1HG2      VAL  12   6.062   5.058  -0.331
  110   2HG2  VAL  12          2HG2      VAL  12   7.565   5.164  -1.249
  111   3HG2  VAL  12          3HG2      VAL  12   7.033   6.529  -0.268
  112    H    LEU  13           H        LEU  13   7.473   2.199   2.177
  113    HA   LEU  13           HA       LEU  13   9.441   2.344   4.238
  114   1HB   LEU  13          2HB       LEU  13   6.784   1.772   4.189
  115   2HB   LEU  13          1HB       LEU  13   7.459   0.162   4.350
  116    HG   LEU  13           HG       LEU  13   6.975   0.954   6.541
  117   1HD1  LEU  13          1HD1      LEU  13   9.402   0.021   5.839
  118   2HD1  LEU  13          2HD1      LEU  13   8.918   0.350   7.502
  119   3HD1  LEU  13          3HD1      LEU  13   9.858   1.543   6.606
  120   1HD2  LEU  13          1HD2      LEU  13   7.270   3.446   5.571
  121   2HD2  LEU  13          2HD2      LEU  13   8.786   3.277   6.457
  122   3HD2  LEU  13          3HD2      LEU  13   7.248   3.063   7.292
  123    H    ARG  14           H        ARG  14   8.272  -0.328   2.199
  124    HA   ARG  14           HA       ARG  14  10.101  -2.252   3.040
  125   1HB   ARG  14          2HB       ARG  14   9.499  -3.511   1.118
  126   2HB   ARG  14          1HB       ARG  14   8.059  -2.617   1.581
  127   1HG   ARG  14          2HG       ARG  14   7.984  -2.167  -0.621
  128   2HG   ARG  14          1HG       ARG  14   9.112  -0.887  -0.178
  129   1HD   ARG  14          2HD       ARG  14  10.812  -2.962  -0.546
  130   2HD   ARG  14          1HD       ARG  14   9.554  -3.351  -1.719
  131    HE   ARG  14           HE       ARG  14  10.170  -0.663  -2.042
  132   1HH1  ARG  14          1HH1      ARG  14  11.770  -3.747  -2.387
  133   2HH1  ARG  14          2HH1      ARG  14  12.846  -3.191  -3.624
  134   1HH2  ARG  14          1HH2      ARG  14  11.587   0.069  -3.668
  135   2HH2  ARG  14          2HH2      ARG  14  12.743  -1.026  -4.351
  136    H    CYS  15           H        CYS  15  10.363   0.333   0.679
  137    HA   CYS  15           HA       CYS  15  12.946  -0.563  -0.279
  138   1HB   CYS  15          2HB       CYS  15  11.474   0.734  -1.750
  139   2HB   CYS  15          1HB       CYS  15  11.557   2.100  -0.642
  140    HG   CYS  15           HG       CYS  15  13.618   2.814  -1.737
  141    H    SER  16           H        SER  16  11.746   1.564   2.200
  142    HA   SER  16           HA       SER  16  14.051   3.080   2.680
  143   1HB   SER  16          2HB       SER  16  11.708   2.278   4.384
  144   2HB   SER  16          1HB       SER  16  13.052   3.183   5.080
  145    HG   SER  16           HG       SER  16  11.020   4.090   3.611
  Start of MODEL    8
    1   1H    GLY   1          1HT       GLY   1 -11.036  -8.260   7.089
    2   2H    GLY   1          2HT       GLY   1 -12.334  -7.193   6.893
    3   3H    GLY   1          3HT       GLY   1 -12.116  -7.999   8.364
    4   1HA   GLY   1          1HA       GLY   1 -11.065  -6.186   9.067
    5   2HA   GLY   1          2HA       GLY   1  -9.744  -6.745   8.053
    6    H    ARG   2           H        ARG   2  -9.370  -4.327   8.150
    7    HA   ARG   2           HA       ARG   2 -10.939  -2.963   6.064
    8   1HB   ARG   2          2HB       ARG   2 -10.739  -2.037   8.497
    9   2HB   ARG   2          1HB       ARG   2  -9.136  -1.527   7.985
   10   1HG   ARG   2          2HG       ARG   2 -10.382   0.351   7.554
   11   2HG   ARG   2          1HG       ARG   2 -10.412  -0.457   5.985
   12   1HD   ARG   2          2HD       ARG   2 -12.634   0.008   6.215
   13   2HD   ARG   2          1HD       ARG   2 -12.582  -1.572   6.998
   14    HE   ARG   2           HE       ARG   2 -13.087  -0.565   8.989
   15   1HH1  ARG   2          1HH1      ARG   2 -12.069   1.879   6.716
   16   2HH1  ARG   2          2HH1      ARG   2 -12.497   3.199   7.751
   17   1HH2  ARG   2          1HH2      ARG   2 -13.651   1.171  10.353
   18   2HH2  ARG   2          2HH2      ARG   2 -13.394   2.797   9.816
   19    H    MET   3           H        MET   3  -9.930  -2.094   4.313
   20    HA   MET   3           HA       MET   3  -7.035  -2.597   4.083
   21   1HB   MET   3          2HB       MET   3  -9.046  -3.594   2.490
   22   2HB   MET   3          1HB       MET   3  -8.507  -2.190   1.579
   23   1HG   MET   3          2HG       MET   3  -7.095  -3.731   0.720
   24   2HG   MET   3          1HG       MET   3  -6.130  -3.225   2.105
   25   1HE   MET   3          1HE       MET   3  -5.166  -5.366   3.889
   26   2HE   MET   3          2HE       MET   3  -4.702  -4.919   2.247
   27   3HE   MET   3          3HE       MET   3  -4.985  -6.612   2.653
   28    H    LEU   4           H        LEU   4  -5.887  -1.190   2.582
   29    HA   LEU   4           HA       LEU   4  -6.958   1.475   2.268
   30   1HB   LEU   4          2HB       LEU   4  -4.425   1.752   3.565
   31   2HB   LEU   4          1HB       LEU   4  -5.990   2.395   4.042
   32    HG   LEU   4           HG       LEU   4  -5.352  -0.440   4.717
   33   1HD1  LEU   4          1HD1      LEU   4  -4.540   1.626   6.670
   34   2HD1  LEU   4          2HD1      LEU   4  -3.454   1.331   5.311
   35   3HD1  LEU   4          3HD1      LEU   4  -3.897   0.008   6.391
   36   1HD2  LEU   4          1HD2      LEU   4  -7.194  -0.233   5.941
   37   2HD2  LEU   4          2HD2      LEU   4  -7.417   1.380   5.265
   38   3HD2  LEU   4          3HD2      LEU   4  -6.535   1.172   6.777
   39    HA   PRO   5           HA       PRO   5  -3.699   1.586  -0.800
   40   1HB   PRO   5          2HB       PRO   5  -3.032   4.194  -0.886
   41   2HB   PRO   5          1HB       PRO   5  -4.651   3.632  -1.313
   42   1HG   PRO   5          2HG       PRO   5  -3.774   5.154   1.031
   43   2HG   PRO   5          1HG       PRO   5  -5.409   4.926   0.391
   44   1HD   PRO   5          2HD       PRO   5  -4.069   3.508   2.561
   45   2HD   PRO   5          1HD       PRO   5  -5.783   3.468   2.094
   46    H    GLN   6           H        GLN   6  -2.670   0.916   1.884
   47    HA   GLN   6           HA       GLN   6  -0.285   2.283   2.462
   48   1HB   GLN   6          2HB       GLN   6  -1.586  -0.210   3.294
   49   2HB   GLN   6          1HB       GLN   6   0.169  -0.269   3.370
   50   1HG   GLN   6          2HG       GLN   6  -0.977   2.169   4.494
   51   2HG   GLN   6          1HG       GLN   6  -1.475   0.693   5.320
   52   1HE2  GLN   6          1HE2      GLN   6   0.056  -0.547   6.386
   53   2HE2  GLN   6          2HE2      GLN   6   1.635   0.047   6.754
   54    H    LEU   7           H        LEU   7  -0.956   0.671  -0.305
   55    HA   LEU   7           HA       LEU   7   1.387  -0.872  -0.706
   56   1HB   LEU   7          2HB       LEU   7  -0.595  -1.260  -2.043
   57   2HB   LEU   7          1HB       LEU   7  -0.540   0.380  -2.662
   58    HG   LEU   7           HG       LEU   7   1.793  -1.413  -3.160
   59   1HD1  LEU   7          1HD1      LEU   7   0.802  -2.693  -4.731
   60   2HD1  LEU   7          2HD1      LEU   7  -0.352  -1.439  -5.185
   61   3HD1  LEU   7          3HD1      LEU   7  -0.628  -2.411  -3.738
   62   1HD2  LEU   7          1HD2      LEU   7   1.364  -0.050  -5.422
   63   2HD2  LEU   7          2HD2      LEU   7   2.297   0.597  -4.072
   64   3HD2  LEU   7          3HD2      LEU   7   0.606   1.054  -4.275
   65    H    VAL   8           H        VAL   8   0.582   2.488  -1.022
   66    HA   VAL   8           HA       VAL   8   2.789   3.206  -2.656
   67    HB   VAL   8           HB       VAL   8   1.236   4.995  -0.784
   68   1HG1  VAL   8          1HG1      VAL   8   3.306   5.991  -1.562
   69   2HG1  VAL   8          2HG1      VAL   8   1.928   6.777  -2.333
   70   3HG1  VAL   8          3HG1      VAL   8   2.890   5.604  -3.232
   71   1HG2  VAL   8          1HG2      VAL   8   0.124   3.555  -2.797
   72   2HG2  VAL   8          2HG2      VAL   8   0.593   5.026  -3.650
   73   3HG2  VAL   8          3HG2      VAL   8  -0.469   5.123  -2.246
   74    H    CYS   9           H        CYS   9   2.109   3.764   0.798
   75    HA   CYS   9           HA       CYS   9   4.689   4.662   1.453
   76   1HB   CYS   9          2HB       CYS   9   2.333   3.669   2.983
   77   2HB   CYS   9          1HB       CYS   9   3.884   3.683   3.816
   78    HG   CYS   9           HG       CYS   9   2.168   6.083   3.306
   79    H    ARG  10           H        ARG  10   3.503   1.515   0.769
   80    HA   ARG  10           HA       ARG  10   5.391   0.005   2.266
   81   1HB   ARG  10          2HB       ARG  10   3.264  -0.884   1.200
   82   2HB   ARG  10          1HB       ARG  10   4.102  -0.808  -0.343
   83   1HG   ARG  10          2HG       ARG  10   4.183  -3.052   0.518
   84   2HG   ARG  10          1HG       ARG  10   5.804  -2.356   0.531
   85   1HD   ARG  10          2HD       ARG  10   5.890  -2.250   2.813
   86   2HD   ARG  10          1HD       ARG  10   4.143  -2.080   2.979
   87    HE   ARG  10           HE       ARG  10   4.507  -4.615   2.025
   88   1HH1  ARG  10          1HH1      ARG  10   5.644  -2.833   4.801
   89   2HH1  ARG  10          2HH1      ARG  10   5.766  -4.236   5.808
   90   1HH2  ARG  10          1HH2      ARG  10   4.665  -6.462   3.348
   91   2HH2  ARG  10          2HH2      ARG  10   5.211  -6.297   4.984
   92    H    LEU  11           H        LEU  11   5.303   0.710  -1.240
   93    HA   LEU  11           HA       LEU  11   7.833  -0.167  -1.856
   94   1HB   LEU  11          2HB       LEU  11   7.731   1.125  -3.797
   95   2HB   LEU  11          1HB       LEU  11   6.048   0.843  -3.400
   96    HG   LEU  11           HG       LEU  11   6.507   3.219  -2.131
   97   1HD1  LEU  11          1HD1      LEU  11   8.797   3.136  -3.320
   98   2HD1  LEU  11          2HD1      LEU  11   7.862   4.631  -3.367
   99   3HD1  LEU  11          3HD1      LEU  11   7.880   3.556  -4.766
  100   1HD2  LEU  11          1HD2      LEU  11   5.303   4.232  -4.025
  101   2HD2  LEU  11          2HD2      LEU  11   4.582   2.708  -3.508
  102   3HD2  LEU  11          3HD2      LEU  11   5.578   2.762  -4.962
  103    H    VAL  12           H        VAL  12   6.835   2.725  -0.178
  104    HA   VAL  12           HA       VAL  12   9.434   3.934  -0.191
  105    HB   VAL  12           HB       VAL  12   7.101   4.644   1.573
  106   1HG1  VAL  12          1HG1      VAL  12   9.642   5.524   1.763
  107   2HG1  VAL  12          2HG1      VAL  12   8.232   6.493   2.194
  108   3HG1  VAL  12          3HG1      VAL  12   8.989   6.691   0.613
  109   1HG2  VAL  12          1HG2      VAL  12   7.537   5.044  -1.299
  110   2HG2  VAL  12          2HG2      VAL  12   7.107   6.506  -0.412
  111   3HG2  VAL  12          3HG2      VAL  12   6.047   5.097  -0.358
  112    H    LEU  13           H        LEU  13   7.521   2.094   2.137
  113    HA   LEU  13           HA       LEU  13   9.501   2.369   4.214
  114   1HB   LEU  13          2HB       LEU  13   6.864   1.949   4.314
  115   2HB   LEU  13          1HB       LEU  13   7.396   0.279   4.368
  116    HG   LEU  13           HG       LEU  13   7.077   1.022   6.615
  117   1HD1  LEU  13          1HD1      LEU  13   9.297  -0.199   5.803
  118   2HD1  LEU  13          2HD1      LEU  13   9.012   0.227   7.490
  119   3HD1  LEU  13          3HD1      LEU  13  10.025   1.258   6.478
  120   1HD2  LEU  13          1HD2      LEU  13   7.493   3.499   5.823
  121   2HD2  LEU  13          2HD2      LEU  13   9.128   3.165   6.394
  122   3HD2  LEU  13          3HD2      LEU  13   7.761   3.017   7.498
  123    H    ARG  14           H        ARG  14   8.246  -0.327   2.273
  124    HA   ARG  14           HA       ARG  14  10.020  -2.282   3.176
  125   1HB   ARG  14          2HB       ARG  14   9.428  -3.547   1.200
  126   2HB   ARG  14          1HB       ARG  14   7.991  -2.751   1.827
  127   1HG   ARG  14          2HG       ARG  14   7.652  -2.091  -0.271
  128   2HG   ARG  14          1HG       ARG  14   8.934  -0.919   0.028
  129   1HD   ARG  14          2HD       ARG  14  10.475  -2.941  -0.664
  130   2HD   ARG  14          1HD       ARG  14   9.011  -3.477  -1.487
  131    HE   ARG  14           HE       ARG  14   9.693  -0.739  -2.025
  132   1HH1  ARG  14          1HH1      ARG  14  10.241  -4.055  -2.968
  133   2HH1  ARG  14          2HH1      ARG  14  10.723  -3.647  -4.580
  134   1HH2  ARG  14          1HH2      ARG  14  10.327  -0.202  -4.144
  135   2HH2  ARG  14          2HH2      ARG  14  10.773  -1.460  -5.249
  136    H    CYS  15           H        CYS  15  10.326   0.193   0.697
  137    HA   CYS  15           HA       CYS  15  12.926  -0.835  -0.139
  138   1HB   CYS  15          2HB       CYS  15  11.272   0.307  -1.701
  139   2HB   CYS  15          1HB       CYS  15  11.729   1.818  -0.923
  140    HG   CYS  15           HG       CYS  15  13.635   0.111  -2.685
  141    H    SER  16           H        SER  16  11.658   1.499   2.078
  142    HA   SER  16           HA       SER  16  13.817   3.240   2.344
  143   1HB   SER  16          2HB       SER  16  11.481   2.483   3.963
  144   2HB   SER  16          1HB       SER  16  12.847   3.080   4.904
  145    HG   SER  16           HG       SER  16  11.721   4.867   4.336
  Start of MODEL    9
    1   1H    GLY   1          1HT       GLY   1  -8.359  -9.267   4.242
    2   2H    GLY   1          2HT       GLY   1  -9.735  -8.688   3.447
    3   3H    GLY   1          3HT       GLY   1  -9.769 -10.202   4.199
    4   1HA   GLY   1          1HA       GLY   1 -10.769  -9.077   5.853
    5   2HA   GLY   1          2HA       GLY   1  -9.102  -8.731   6.286
    6    H    ARG   2           H        ARG   2  -8.416  -6.877   4.355
    7    HA   ARG   2           HA       ARG   2 -10.266  -4.817   3.938
    8   1HB   ARG   2          2HB       ARG   2 -10.265  -4.616   6.377
    9   2HB   ARG   2          1HB       ARG   2  -8.517  -4.438   6.376
   10   1HG   ARG   2          2HG       ARG   2  -8.937  -2.247   6.399
   11   2HG   ARG   2          1HG       ARG   2  -9.279  -2.444   4.680
   12   1HD   ARG   2          2HD       ARG   2 -11.069  -1.221   5.801
   13   2HD   ARG   2          1HD       ARG   2 -11.645  -2.768   5.179
   14    HE   ARG   2           HE       ARG   2 -10.896  -3.218   7.799
   15   1HH1  ARG   2          1HH1      ARG   2 -13.210  -1.217   6.121
   16   2HH1  ARG   2          2HH1      ARG   2 -14.344  -1.213   7.429
   17   1HH2  ARG   2          1HH2      ARG   2 -12.387  -3.214   9.521
   18   2HH2  ARG   2          2HH2      ARG   2 -13.876  -2.345   9.360
   19    H    MET   3           H        MET   3  -9.429  -3.963   2.159
   20    HA   MET   3           HA       MET   3  -6.521  -3.817   1.858
   21   1HB   MET   3          2HB       MET   3  -8.520  -4.549   0.092
   22   2HB   MET   3          1HB       MET   3  -8.133  -2.909  -0.408
   23   1HG   MET   3          2HG       MET   3  -6.518  -3.837  -1.615
   24   2HG   MET   3          1HG       MET   3  -5.655  -4.013  -0.089
   25   1HE   MET   3          1HE       MET   3  -4.874  -6.989   0.585
   26   2HE   MET   3          2HE       MET   3  -4.288  -5.586  -0.307
   27   3HE   MET   3          3HE       MET   3  -4.439  -7.144  -1.118
   28    H    LEU   4           H        LEU   4  -5.508  -1.968   1.027
   29    HA   LEU   4           HA       LEU   4  -6.877   0.564   1.280
   30   1HB   LEU   4          2HB       LEU   4  -4.532   0.788   2.871
   31   2HB   LEU   4          1HB       LEU   4  -6.205   1.047   3.338
   32    HG   LEU   4           HG       LEU   4  -6.369  -1.394   3.849
   33   1HD1  LEU   4          1HD1      LEU   4  -3.453  -1.671   4.022
   34   2HD1  LEU   4          2HD1      LEU   4  -4.102  -1.649   2.381
   35   3HD1  LEU   4          3HD1      LEU   4  -4.682  -2.843   3.544
   36   1HD2  LEU   4          1HD2      LEU   4  -5.673  -1.062   5.981
   37   2HD2  LEU   4          2HD2      LEU   4  -5.568   0.604   5.414
   38   3HD2  LEU   4          3HD2      LEU   4  -4.116  -0.394   5.489
   39    HA   PRO   5           HA       PRO   5  -3.462   1.830  -1.306
   40   1HB   PRO   5          2HB       PRO   5  -3.213   4.438  -0.730
   41   2HB   PRO   5          1HB       PRO   5  -4.699   3.784  -1.425
   42   1HG   PRO   5          2HG       PRO   5  -4.178   4.750   1.306
   43   2HG   PRO   5          1HG       PRO   5  -5.717   4.581   0.448
   44   1HD   PRO   5          2HD       PRO   5  -4.506   2.775   2.360
   45   2HD   PRO   5          1HD       PRO   5  -6.103   2.662   1.591
   46    H    GLN   6           H        GLN   6  -2.679   0.905   1.542
   47    HA   GLN   6           HA       GLN   6  -0.393   2.428   2.281
   48   1HB   GLN   6          2HB       GLN   6  -1.898   0.359   3.407
   49   2HB   GLN   6          1HB       GLN   6  -0.298  -0.330   3.171
   50   1HG   GLN   6          2HG       GLN   6  -0.259   2.350   4.323
   51   2HG   GLN   6          1HG       GLN   6  -1.096   1.157   5.316
   52   1HE2  GLN   6          1HE2      GLN   6   0.129   0.108   6.697
   53   2HE2  GLN   6          2HE2      GLN   6   1.826  -0.183   6.544
   54    H    LEU   7           H        LEU   7  -0.851   0.619  -0.408
   55    HA   LEU   7           HA       LEU   7   1.554  -0.894  -0.520
   56   1HB   LEU   7          2HB       LEU   7  -0.330  -1.473  -1.930
   57   2HB   LEU   7          1HB       LEU   7  -0.289   0.104  -2.694
   58    HG   LEU   7           HG       LEU   7   2.159  -1.574  -2.890
   59   1HD1  LEU   7          1HD1      LEU   7   1.347  -3.136  -4.299
   60   2HD1  LEU   7          2HD1      LEU   7   0.122  -2.056  -4.966
   61   3HD1  LEU   7          3HD1      LEU   7  -0.150  -2.844  -3.412
   62   1HD2  LEU   7          1HD2      LEU   7   0.978  -0.220  -5.218
   63   2HD2  LEU   7          2HD2      LEU   7   2.639  -0.227  -4.626
   64   3HD2  LEU   7          3HD2      LEU   7   1.443   0.838  -3.886
   65    H    VAL   8           H        VAL   8   0.656   2.389  -1.227
   66    HA   VAL   8           HA       VAL   8   2.947   3.040  -2.771
   67    HB   VAL   8           HB       VAL   8   1.229   4.942  -1.176
   68   1HG1  VAL   8          1HG1      VAL   8   2.989   6.234  -1.860
   69   2HG1  VAL   8          2HG1      VAL   8   1.938   6.378  -3.269
   70   3HG1  VAL   8          3HG1      VAL   8   3.297   5.254  -3.294
   71   1HG2  VAL   8          1HG2      VAL   8   0.830   3.768  -3.918
   72   2HG2  VAL   8          2HG2      VAL   8   0.041   5.254  -3.388
   73   3HG2  VAL   8          3HG2      VAL   8  -0.278   3.738  -2.546
   74    H    CYS   9           H        CYS   9   2.077   3.386   0.640
   75    HA   CYS   9           HA       CYS   9   4.568   4.615   1.361
   76   1HB   CYS   9          2HB       CYS   9   2.157   3.636   2.825
   77   2HB   CYS   9          1HB       CYS   9   3.652   3.815   3.735
   78    HG   CYS   9           HG       CYS   9   2.039   6.013   3.654
   79    H    ARG  10           H        ARG  10   3.409   1.364   1.019
   80    HA   ARG  10           HA       ARG  10   5.481   0.154   2.608
   81   1HB   ARG  10          2HB       ARG  10   3.266  -0.947   2.055
   82   2HB   ARG  10          1HB       ARG  10   3.847  -1.130   0.406
   83   1HG   ARG  10          2HG       ARG  10   5.653  -2.158   2.480
   84   2HG   ARG  10          1HG       ARG  10   4.108  -3.000   2.335
   85   1HD   ARG  10          2HD       ARG  10   4.761  -2.806  -0.260
   86   2HD   ARG  10          1HD       ARG  10   6.376  -2.843   0.446
   87    HE   ARG  10           HE       ARG  10   4.921  -4.902   1.612
   88   1HH1  ARG  10          1HH1      ARG  10   6.091  -4.018  -1.554
   89   2HH1  ARG  10          2HH1      ARG  10   6.230  -5.656  -2.096
   90   1HH2  ARG  10          1HH2      ARG  10   5.103  -7.056   0.900
   91   2HH2  ARG  10          2HH2      ARG  10   5.669  -7.382  -0.703
   92    H    LEU  11           H        LEU  11   5.013   1.077  -0.730
   93    HA   LEU  11           HA       LEU  11   7.319  -0.186  -1.768
   94   1HB   LEU  11          2HB       LEU  11   5.775   0.621  -3.363
   95   2HB   LEU  11          1HB       LEU  11   5.681   2.198  -2.604
   96    HG   LEU  11           HG       LEU  11   7.907   2.758  -3.407
   97   1HD1  LEU  11          1HD1      LEU  11   8.560   0.222  -3.359
   98   2HD1  LEU  11          2HD1      LEU  11   9.332   1.329  -4.494
   99   3HD1  LEU  11          3HD1      LEU  11   8.030   0.272  -5.041
  100   1HD2  LEU  11          1HD2      LEU  11   7.316   3.192  -5.592
  101   2HD2  LEU  11          2HD2      LEU  11   5.742   2.892  -4.852
  102   3HD2  LEU  11          3HD2      LEU  11   6.526   1.629  -5.800
  103    H    VAL  12           H        VAL  12   6.658   2.824  -0.116
  104    HA   VAL  12           HA       VAL  12   9.315   3.864  -0.360
  105    HB   VAL  12           HB       VAL  12   7.146   4.755   1.533
  106   1HG1  VAL  12          1HG1      VAL  12   9.752   5.473   1.549
  107   2HG1  VAL  12          2HG1      VAL  12   8.433   6.523   2.069
  108   3HG1  VAL  12          3HG1      VAL  12   9.089   6.673   0.439
  109   1HG2  VAL  12          1HG2      VAL  12   7.617   6.315  -0.908
  110   2HG2  VAL  12          2HG2      VAL  12   6.106   5.885  -0.107
  111   3HG2  VAL  12          3HG2      VAL  12   6.898   4.726  -1.174
  112    H    LEU  13           H        LEU  13   7.438   2.239   2.144
  113    HA   LEU  13           HA       LEU  13   9.424   2.442   4.172
  114   1HB   LEU  13          2HB       LEU  13   6.821   1.854   4.247
  115   2HB   LEU  13          1HB       LEU  13   7.449   0.218   4.207
  116    HG   LEU  13           HG       LEU  13   7.087   0.812   6.493
  117   1HD1  LEU  13          1HD1      LEU  13   9.354  -0.255   5.639
  118   2HD1  LEU  13          2HD1      LEU  13   9.078   0.111   7.342
  119   3HD1  LEU  13          3HD1      LEU  13  10.023   1.216   6.345
  120   1HD2  LEU  13          1HD2      LEU  13   7.283   3.330   5.915
  121   2HD2  LEU  13          2HD2      LEU  13   8.989   3.111   6.302
  122   3HD2  LEU  13          3HD2      LEU  13   7.759   2.774   7.519
  123    H    ARG  14           H        ARG  14   8.292  -0.320   2.228
  124    HA   ARG  14           HA       ARG  14  10.259  -2.132   3.000
  125   1HB   ARG  14          2HB       ARG  14   9.631  -3.451   1.134
  126   2HB   ARG  14          1HB       ARG  14   8.171  -2.604   1.622
  127   1HG   ARG  14          2HG       ARG  14   8.013  -2.213  -0.589
  128   2HG   ARG  14          1HG       ARG  14   9.093  -0.872  -0.202
  129   1HD   ARG  14          2HD       ARG  14  10.979  -2.600  -0.633
  130   2HD   ARG  14          1HD       ARG  14   9.722  -3.502  -1.480
  131    HE   ARG  14           HE       ARG  14   9.970  -0.735  -2.272
  132   1HH1  ARG  14          1HH1      ARG  14  11.017  -4.017  -2.859
  133   2HH1  ARG  14          2HH1      ARG  14  11.480  -3.707  -4.499
  134   1HH2  ARG  14          1HH2      ARG  14  10.577  -0.333  -4.429
  135   2HH2  ARG  14          2HH2      ARG  14  11.232  -1.617  -5.389
  136    H    CYS  15           H        CYS  15  10.312   0.528   0.751
  137    HA   CYS  15           HA       CYS  15  12.768  -0.208  -0.537
  138   1HB   CYS  15          2HB       CYS  15  10.980   2.138  -0.540
  139   2HB   CYS  15          1HB       CYS  15  12.674   2.502  -0.831
  140    HG   CYS  15           HG       CYS  15  11.649   2.050  -3.131
  141    H    SER  16           H        SER  16  11.913   1.440   2.393
  142    HA   SER  16           HA       SER  16  14.208   2.890   2.922
  143   1HB   SER  16          2HB       SER  16  11.899   2.437   4.267
  144   2HB   SER  16          1HB       SER  16  13.024   1.489   5.240
  145    HG   SER  16           HG       SER  16  12.733   4.179   5.071
  Start of MODEL   10
    1   1H    GLY   1          1HT       GLY   1 -12.704  -2.578   4.881
    2   2H    GLY   1          2HT       GLY   1 -12.169  -3.207   6.356
    3   3H    GLY   1          3HT       GLY   1 -11.530  -3.796   4.905
    4   1HA   GLY   1          1HA       GLY   1 -10.944  -1.311   6.332
    5   2HA   GLY   1          2HA       GLY   1  -9.848  -2.404   5.500
    6    H    ARG   2           H        ARG   2 -11.214  -2.550   3.030
    7    HA   ARG   2           HA       ARG   2 -11.290  -1.507   1.012
    8   1HB   ARG   2          2HB       ARG   2 -13.142  -0.280   2.150
    9   2HB   ARG   2          1HB       ARG   2 -11.985   0.959   2.616
   10   1HG   ARG   2          2HG       ARG   2 -11.745   1.738   0.455
   11   2HG   ARG   2          1HG       ARG   2 -12.305   0.226  -0.261
   12   1HD   ARG   2          2HD       ARG   2 -14.463   1.067   1.242
   13   2HD   ARG   2          1HD       ARG   2 -13.816   2.566   0.580
   14    HE   ARG   2           HE       ARG   2 -14.543   1.922  -1.489
   15   1HH1  ARG   2          1HH1      ARG   2 -14.516  -0.867   0.607
   16   2HH1  ARG   2          2HH1      ARG   2 -15.308  -1.894  -0.542
   17   1HH2  ARG   2          1HH2      ARG   2 -15.584   0.574  -3.002
   18   2HH2  ARG   2          2HH2      ARG   2 -15.913  -1.076  -2.591
   19    H    MET   3           H        MET   3  -8.771  -1.701   2.285
   20    HA   MET   3           HA       MET   3  -7.354   0.781   2.006
   21   1HB   MET   3          2HB       MET   3  -6.277  -2.034   2.234
   22   2HB   MET   3          1HB       MET   3  -5.339  -0.557   2.409
   23   1HG   MET   3          2HG       MET   3  -7.690  -0.946   4.180
   24   2HG   MET   3          1HG       MET   3  -6.237  -1.894   4.492
   25   1HE   MET   3          1HE       MET   3  -8.196   0.975   4.917
   26   2HE   MET   3          2HE       MET   3  -7.200   2.314   5.489
   27   3HE   MET   3          3HE       MET   3  -7.515   0.936   6.545
   28    H    LEU   4           H        LEU   4  -5.326   0.797   0.713
   29    HA   LEU   4           HA       LEU   4  -5.093  -0.520  -1.701
   30   1HB   LEU   4          2HB       LEU   4  -5.988   1.453  -3.103
   31   2HB   LEU   4          1HB       LEU   4  -7.040   0.182  -2.554
   32    HG   LEU   4           HG       LEU   4  -7.467   1.890  -0.575
   33   1HD1  LEU   4          1HD1      LEU   4  -7.183   3.893  -2.736
   34   2HD1  LEU   4          2HD1      LEU   4  -5.711   3.388  -1.902
   35   3HD1  LEU   4          3HD1      LEU   4  -7.050   4.080  -0.986
   36   1HD2  LEU   4          1HD2      LEU   4  -8.910   0.989  -2.657
   37   2HD2  LEU   4          2HD2      LEU   4  -8.845   2.708  -3.047
   38   3HD2  LEU   4          3HD2      LEU   4  -9.503   2.180  -1.499
   39    HA   PRO   5           HA       PRO   5  -2.427   3.403  -1.734
   40   1HB   PRO   5          2HB       PRO   5  -2.634   4.951   0.614
   41   2HB   PRO   5          1HB       PRO   5  -3.307   5.355  -0.965
   42   1HG   PRO   5          2HG       PRO   5  -4.757   4.754   1.365
   43   2HG   PRO   5          1HG       PRO   5  -5.404   4.867  -0.280
   44   1HD   PRO   5          2HD       PRO   5  -4.652   2.461   1.299
   45   2HD   PRO   5          1HD       PRO   5  -5.918   2.659   0.086
   46    H    GLN   6           H        GLN   6  -2.800   1.001   0.345
   47    HA   GLN   6           HA       GLN   6  -0.829   1.429   2.306
   48   1HB   GLN   6          2HB       GLN   6  -2.356  -0.890   1.280
   49   2HB   GLN   6          1HB       GLN   6  -0.854  -1.261   2.116
   50   1HG   GLN   6          2HG       GLN   6  -1.816   0.368   3.924
   51   2HG   GLN   6          1HG       GLN   6  -3.354  -0.034   3.161
   52   1HE2  GLN   6          1HE2      GLN   6  -3.085  -0.698   5.720
   53   2HE2  GLN   6          2HE2      GLN   6  -2.870  -2.402   5.910
   54    H    LEU   7           H        LEU   7  -0.656   0.509  -1.017
   55    HA   LEU   7           HA       LEU   7   1.967  -0.650  -0.881
   56   1HB   LEU   7          2HB       LEU   7   0.417  -1.335  -2.614
   57   2HB   LEU   7          1HB       LEU   7   0.323   0.308  -3.220
   58    HG   LEU   7           HG       LEU   7   3.030  -0.877  -3.151
   59   1HD1  LEU   7          1HD1      LEU   7   2.775  -2.469  -4.746
   60   2HD1  LEU   7          2HD1      LEU   7   1.378  -1.676  -5.474
   61   3HD1  LEU   7          3HD1      LEU   7   1.189  -2.608  -3.988
   62   1HD2  LEU   7          1HD2      LEU   7   3.425   0.573  -4.847
   63   2HD2  LEU   7          2HD2      LEU   7   2.028   1.389  -4.144
   64   3HD2  LEU   7          3HD2      LEU   7   1.825   0.353  -5.556
   65    H    VAL   8           H        VAL   8   0.813   2.525  -0.809
   66    HA   VAL   8           HA       VAL   8   2.893   3.811  -2.269
   67    HB   VAL   8           HB       VAL   8   1.200   4.993  -0.062
   68   1HG1  VAL   8          1HG1      VAL   8   2.679   6.663  -0.417
   69   2HG1  VAL   8          2HG1      VAL   8   1.636   6.997  -1.799
   70   3HG1  VAL   8          3HG1      VAL   8   3.124   6.077  -2.019
   71   1HG2  VAL   8          1HG2      VAL   8   0.189   3.857  -2.308
   72   2HG2  VAL   8          2HG2      VAL   8   0.460   5.511  -2.857
   73   3HG2  VAL   8          3HG2      VAL   8  -0.557   5.205  -1.451
   74    H    CYS   9           H        CYS   9   2.255   3.599   1.236
   75    HA   CYS   9           HA       CYS   9   4.879   4.528   1.896
   76   1HB   CYS   9          2HB       CYS   9   2.481   3.620   3.399
   77   2HB   CYS   9          1HB       CYS   9   4.029   3.456   4.220
   78    HG   CYS   9           HG       CYS   9   3.369   5.777   4.872
   79    H    ARG  10           H        ARG  10   3.422   1.416   1.340
   80    HA   ARG  10           HA       ARG  10   5.434  -0.133   2.631
   81   1HB   ARG  10          2HB       ARG  10   3.156  -0.980   1.909
   82   2HB   ARG  10          1HB       ARG  10   3.753  -0.961   0.255
   83   1HG   ARG  10          2HG       ARG  10   5.448  -2.593   0.811
   84   2HG   ARG  10          1HG       ARG  10   4.955  -2.562   2.505
   85   1HD   ARG  10          2HD       ARG  10   3.675  -4.317   1.944
   86   2HD   ARG  10          1HD       ARG  10   2.594  -3.100   1.265
   87    HE   ARG  10           HE       ARG  10   4.285  -3.627  -0.778
   88   1HH1  ARG  10          1HH1      ARG  10   2.341  -5.659   1.290
   89   2HH1  ARG  10          2HH1      ARG  10   2.110  -6.880   0.083
   90   1HH2  ARG  10          1HH2      ARG  10   3.981  -5.232  -2.366
   91   2HH2  ARG  10          2HH2      ARG  10   3.041  -6.638  -1.992
   92    H    LEU  11           H        LEU  11   4.868   0.632  -0.798
   93    HA   LEU  11           HA       LEU  11   7.198  -0.389  -1.852
   94   1HB   LEU  11          2HB       LEU  11   5.693   0.416  -3.430
   95   2HB   LEU  11          1HB       LEU  11   5.447   1.924  -2.575
   96    HG   LEU  11           HG       LEU  11   7.666   2.699  -3.305
   97   1HD1  LEU  11          1HD1      LEU  11   8.552   1.228  -5.316
   98   2HD1  LEU  11          2HD1      LEU  11   7.797  -0.064  -4.383
   99   3HD1  LEU  11          3HD1      LEU  11   9.058   0.929  -3.652
  100   1HD2  LEU  11          1HD2      LEU  11   7.061   3.209  -5.528
  101   2HD2  LEU  11          2HD2      LEU  11   5.546   3.048  -4.640
  102   3HD2  LEU  11          3HD2      LEU  11   6.098   1.739  -5.684
  103    H    VAL  12           H        VAL  12   6.646   2.556  -0.046
  104    HA   VAL  12           HA       VAL  12   9.306   3.558  -0.449
  105    HB   VAL  12           HB       VAL  12   7.233   4.492   1.535
  106   1HG1  VAL  12          1HG1      VAL  12   9.666   5.894   0.435
  107   2HG1  VAL  12          2HG1      VAL  12   9.522   5.208   2.054
  108   3HG1  VAL  12          3HG1      VAL  12   8.501   6.565   1.577
  109   1HG2  VAL  12          1HG2      VAL  12   6.864   4.512  -1.120
  110   2HG2  VAL  12          2HG2      VAL  12   7.765   6.017  -0.938
  111   3HG2  VAL  12          3HG2      VAL  12   6.260   5.779  -0.052
  112    H    LEU  13           H        LEU  13   7.660   3.024   2.654
  113    HA   LEU  13           HA       LEU  13   9.826   2.785   4.276
  114   1HB   LEU  13          2HB       LEU  13   7.552   2.794   5.122
  115   2HB   LEU  13          1HB       LEU  13   7.255   1.213   4.427
  116    HG   LEU  13           HG       LEU  13   9.132   0.375   5.960
  117   1HD1  LEU  13          1HD1      LEU  13   9.599   2.966   6.452
  118   2HD1  LEU  13          2HD1      LEU  13   9.984   1.679   7.594
  119   3HD1  LEU  13          3HD1      LEU  13   8.497   2.608   7.782
  120   1HD2  LEU  13          1HD2      LEU  13   7.561   0.283   7.914
  121   2HD2  LEU  13          2HD2      LEU  13   6.877  -0.253   6.380
  122   3HD2  LEU  13          3HD2      LEU  13   6.483   1.346   7.010
  123    H    ARG  14           H        ARG  14   8.270   0.095   2.527
  124    HA   ARG  14           HA       ARG  14  10.004  -1.930   3.385
  125   1HB   ARG  14          2HB       ARG  14   7.913  -2.428   2.217
  126   2HB   ARG  14          1HB       ARG  14   8.524  -1.663   0.758
  127   1HG   ARG  14          2HG       ARG  14   9.961  -3.986   1.968
  128   2HG   ARG  14          1HG       ARG  14   8.554  -4.229   0.934
  129   1HD   ARG  14          2HD       ARG  14  11.234  -3.081   0.250
  130   2HD   ARG  14          1HD       ARG  14  10.340  -4.366  -0.549
  131    HE   ARG  14           HE       ARG  14   9.872  -1.479  -0.835
  132   1HH1  ARG  14          1HH1      ARG  14   9.086  -4.760  -1.777
  133   2HH1  ARG  14          2HH1      ARG  14   8.297  -4.277  -3.239
  134   1HH2  ARG  14          1HH2      ARG  14   8.845  -0.861  -2.762
  135   2HH2  ARG  14          2HH2      ARG  14   8.158  -2.067  -3.797
  136    H    CYS  15           H        CYS  15  10.126   0.212   0.563
  137    HA   CYS  15           HA       CYS  15  12.669  -0.858  -0.298
  138   1HB   CYS  15          2HB       CYS  15  10.950   0.058  -1.870
  139   2HB   CYS  15          1HB       CYS  15  11.304   1.664  -1.243
  140    HG   CYS  15           HG       CYS  15  13.828   1.166  -2.168
  141    H    SER  16           H        SER  16  11.925   1.078   2.238
  142    HA   SER  16           HA       SER  16  14.024   3.034   1.943
  143   1HB   SER  16          2HB       SER  16  12.337   2.329   4.359
  144   2HB   SER  16          1HB       SER  16  13.388   3.738   4.212
  145    HG   SER  16           HG       SER  16  12.066   4.504   2.560