*HEADER    ANTIMICROBIAL PROTEIN                   13-JAN-20   6TWG              
*TITLE     SOLUTION STRUCTURE OF ANTIMICROBIAL PEPTIDE, CRABROLIN PLUS IN THE    
*TITLE    2 PRESENCE OF LIPOPOLYSACCHARIDE                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CRABROLIN PLUS, MUTANT OF CRABROLIN PEPTIDE;               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES;                                                       
*COMPND   6 OTHER_DETAILS: PEPTIDES WERE PURCHASED FROM PEPTIDE SPECIALTY        
*COMPND   7 LABORATORIES (GMBH, GERMANY), AND PURITY WAS ASSAYED BY HPLC AND MASS
*COMPND   8 SPECTROMETRY.                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: VESPA CRABRO;                                   
*SOURCE   4 ORGANISM_COMMON: EUROPEAN HORNET;                                    
*SOURCE   5 ORGANISM_TAXID: 7445                                                 
*KEYWDS    ANTIMICROBIAL PEPTIDE, LIPOPOLYSACCHARIDE, ANTIMICROBIAL PROTEIN      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    F.CANTINI,N.BOUCHEMAL,P.SAVARIN,M.SETTE                               
*REVDAT   1   22-JUL-20 6TWG    0                                                
# Restraints file 1: finale.upl
 assign (resid   9 and name HG2*)  (resid  10 and name HA  )  3.19  1.39  1.36   ! target: 3.19  lower: 1.80  upper: 4.55
 assign (resid   9 and name HB  )  (resid  10 and name HA  )  3.53  1.73  1.69   ! target: 3.53  lower: 1.80  upper: 5.22
 assign (resid  10 and name HA  )  (resid  13 and name HB* )  3.30  1.50  1.46   ! target: 3.30  lower: 1.80  upper: 4.76
 assign (resid   9 and name HA  )  (resid  12 and name HB* )  2.89  1.09  1.05   ! target: 2.89  lower: 1.80  upper: 3.94
 assign (resid   8 and name HA  )  (resid  11 and name HB1 )  3.07  1.27  1.23   ! target: 3.07  lower: 1.80  upper: 4.29
 assign (resid   8 and name HA  )  (resid  11 and name HB2 )  2.84  1.04  1.00   ! target: 2.84  lower: 1.80  upper: 3.85
 assign (resid   6 and name HD2*)  (resid   7 and name HA  )  3.19  1.39  1.36   ! target: 3.19  lower: 1.80  upper: 4.55
 assign (resid   7 and name HA  )  (resid  10 and name HG1*)  3.02  1.22  1.19   ! target: 3.02  lower: 1.80  upper: 4.21
 assign (resid   6 and name HD1*)  (resid   7 and name HA  )  2.89  1.09  1.05   ! target: 2.89  lower: 1.80  upper: 3.94
 assign (resid   7 and name HA  )  (resid  10 and name HB  )  2.93  1.13  1.10   ! target: 2.93  lower: 1.80  upper: 4.03
 assign (resid   6 and name HA  )  (resid   9 and name HB  )  3.19  1.39  1.35   ! target: 3.19  lower: 1.80  upper: 4.54
 assign (resid   5 and name HA  )  (resid   8 and name HB1 )  3.87  2.07  2.03   ! target: 3.87  lower: 1.80  upper: 5.91
 assign (resid   5 and name HA  )  (resid   8 and name HB2 )  3.74  1.94  1.91   ! target: 3.74  lower: 1.80  upper: 5.65
 assign (resid   4 and name HA  )  (resid   7 and name HB1 )  3.45  1.65  1.62   ! target: 3.45  lower: 1.80  upper: 5.07
 assign (resid   4 and name HA  )  (resid   7 and name HB2 )  3.46  1.66  1.63   ! target: 3.46  lower: 1.80  upper: 5.09
 assign (resid   3 and name HG* )  (resid   4 and name HA  )  3.83  2.03  1.99   ! target: 3.83  lower: 1.80  upper: 5.82
 assign (resid  10 and name HA  )  (resid  12 and name HN  )  3.47  1.67  1.63   ! target: 3.47  lower: 1.80  upper: 5.10
 assign (resid  10 and name HA  )  (resid  13 and name HN  )  3.28  1.48  1.44   ! target: 3.28  lower: 1.80  upper: 4.72
 assign (resid   8 and name HA  )  (resid  11 and name HN  )  3.56  1.76  1.73   ! target: 3.56  lower: 1.80  upper: 5.29
 assign (resid   9 and name HA  )  (resid  11 and name HN  )  3.52  1.72  1.68   ! target: 3.52  lower: 1.80  upper: 5.20
 assign (resid   7 and name HA  )  (resid  10 and name HN  )  3.14  1.34  1.31   ! target: 3.14  lower: 1.80  upper: 4.45
 assign (resid   8 and name HA  )  (resid  10 and name HN  )  3.18  1.38  1.34   ! target: 3.18  lower: 1.80  upper: 4.52
 assign (resid   9 and name HA  )  (resid  10 and name HN  )  2.74  0.94  0.90   ! target: 2.74  lower: 1.80  upper: 3.64
 assign (resid   7 and name HA  )  (resid   9 and name HN  )  3.11  1.31  1.27   ! target: 3.11  lower: 1.80  upper: 4.38
 assign (resid   6 and name HA  )  (resid   9 and name HN  )  3.26  1.46  1.43   ! target: 3.26  lower: 1.80  upper: 4.69
 assign (resid   4 and name HA  )  (resid   7 and name HN  )  3.92  2.12  2.09   ! target: 3.92  lower: 1.80  upper: 6.01
 assign (resid   4 and name HA  )  (resid   6 and name HN  )  3.45  1.65  1.61   ! target: 3.45  lower: 1.80  upper: 5.06
 assign (resid  11 and name HA  )  (resid  11 and name HD* )  3.01  1.21  1.18   ! target: 3.01  lower: 1.80  upper: 4.19
 assign (resid   4 and name HB1 )  (resid   5 and name HN  )  3.54  1.74  1.71   ! target: 3.54  lower: 1.80  upper: 5.25
 assign (resid   4 and name HB1 )  (resid   4 and name HE* )  3.45  1.65  1.61   ! target: 3.45  lower: 1.80  upper: 5.06
 assign (resid   8 and name HA  )  (resid   8 and name HD* )  3.14  1.34  1.31   ! target: 3.14  lower: 1.80  upper: 4.45
 assign (resid   9 and name HN  )  (resid  10 and name HN  )  3.28  1.48  1.44   ! target: 3.28  lower: 1.80  upper: 4.72
 assign (resid   9 and name HD1*)  (resid  10 and name HN  )  3.33  1.53  1.49   ! target: 3.33  lower: 1.80  upper: 4.82
 assign (resid   9 and name HG12)  (resid  10 and name HN  )  3.64  1.84  1.81   ! target: 3.64  lower: 1.80  upper: 5.45
 assign (resid   9 and name HG2*)  (resid  10 and name HN  )  3.22  1.42  1.39   ! target: 3.22  lower: 1.80  upper: 4.61
 assign (resid  10 and name HN  )  (resid  10 and name HB  )  2.80  1.00  0.96   ! target: 2.80  lower: 1.80  upper: 3.76
 assign (resid   5 and name HA  )  (resid   5 and name HG2*)  2.86  1.06  1.03   ! target: 2.86  lower: 1.80  upper: 3.89
 assign (resid   5 and name HA  )  (resid   5 and name HD1*)  3.02  1.22  1.19   ! target: 3.02  lower: 1.80  upper: 4.21
 assign (resid   2 and name HA  )  (resid   3 and name HG* )  3.72  1.92  1.88   ! target: 3.72  lower: 1.80  upper: 5.60
 assign (resid   1 and name HA  )  (resid   2 and name HG  )  3.83  2.03  1.99   ! target: 3.83  lower: 1.80  upper: 5.81
 assign (resid  13 and name HB* )  (resid  13 and name HD2*)  2.81  1.01  0.97   ! target: 2.81  lower: 1.80  upper: 3.77
 assign (resid  13 and name HA  )  (resid  13 and name HD2*)  2.86  1.06  1.02   ! target: 2.86  lower: 1.80  upper: 3.88
 assign (resid   9 and name HN  )  (resid   9 and name HB  )  2.84  1.04  1.00   ! target: 2.84  lower: 1.80  upper: 3.85
 assign (resid   8 and name HB2 )  (resid   9 and name HN  )  3.47  1.67  1.63   ! target: 3.47  lower: 1.80  upper: 5.10
 assign (resid   9 and name HN  )  (resid   9 and name HG12)  2.85  1.05  1.01   ! target: 2.85  lower: 1.80  upper: 3.87
 assign (resid   8 and name HB1 )  (resid   9 and name HN  )  3.13  1.33  1.30   ! target: 3.13  lower: 1.80  upper: 4.43
 assign (resid   8 and name HG1 )  (resid   9 and name HN  )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   8 and name HG2 )  (resid   9 and name HN  )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   7 and name HN  )  (resid   7 and name HG1 )  3.32  1.52  1.48   ! target: 3.32  lower: 1.80  upper: 4.80
 assign (resid  11 and name HB2 )  (resid  11 and name HD* )  3.08  1.28  1.24   ! target: 3.08  lower: 1.80  upper: 4.31
 assign (resid  11 and name HD* )  (resid  12 and name HN  )  3.93  2.13  2.10   ! target: 3.93  lower: 1.80  upper: 6.03
 assign (resid  11 and name HB1 )  (resid  11 and name HD* )  2.93  1.13  1.09   ! target: 2.93  lower: 1.80  upper: 4.02
 assign (resid   8 and name HN  )  (resid   9 and name HN  )  3.14  1.34  1.30   ! target: 3.14  lower: 1.80  upper: 4.44
 assign (resid   7 and name HG1 )  (resid   8 and name HN  )  3.10  1.30  1.26   ! target: 3.10  lower: 1.80  upper: 4.37
 assign (resid   8 and name HN  )  (resid   8 and name HE* )  3.73  1.93  1.89   ! target: 3.73  lower: 1.80  upper: 5.62
 assign (resid   7 and name HD* )  (resid   8 and name HN  )  3.64  1.84  1.80   ! target: 3.64  lower: 1.80  upper: 5.44
 assign (resid   8 and name HN  )  (resid   8 and name HG1 )  3.86  2.06  2.02   ! target: 3.86  lower: 1.80  upper: 5.88
 assign (resid   7 and name HN  )  (resid   8 and name HN  )  3.51  1.71  1.67   ! target: 3.51  lower: 1.80  upper: 5.18
 assign (resid   8 and name HN  )  (resid   8 and name HG2 )  3.52  1.72  1.68   ! target: 3.52  lower: 1.80  upper: 5.20
 assign (resid   2 and name HD1*)  (resid   3 and name HD2 )  2.94  1.14  1.10   ! target: 2.94  lower: 1.80  upper: 4.04
 assign (resid   2 and name HG  )  (resid   3 and name HD2 )  3.49  1.69  1.66   ! target: 3.49  lower: 1.80  upper: 5.15
 assign (resid   2 and name HB* )  (resid   3 and name HD2 )  3.06  1.26  1.22   ! target: 3.06  lower: 1.80  upper: 4.28
 assign (resid   2 and name HA  )  (resid   3 and name HD2 )  2.74  0.94  0.91   ! target: 2.74  lower: 1.80  upper: 3.65
 assign (resid  13 and name HB* )  (resid  13 and name HD1*)  2.74  0.94  0.90   ! target: 2.74  lower: 1.80  upper: 3.64
 assign (resid   5 and name HG2*)  (resid   6 and name HN  )  3.07  1.27  1.23   ! target: 3.07  lower: 1.80  upper: 4.30
 assign (resid   7 and name HB1 )  (resid   8 and name HN  )  3.39  1.59  1.56   ! target: 3.39  lower: 1.80  upper: 4.95
 assign (resid   1 and name HA  )  (resid   2 and name HD1*)  3.43  1.63  1.59   ! target: 3.43  lower: 1.80  upper: 5.02
 assign (resid   2 and name HA  )  (resid   2 and name HD1*)  3.58  1.78  1.74   ! target: 3.58  lower: 1.80  upper: 5.31
 assign (resid   9 and name HN  )  (resid   9 and name HD1*)  3.15  1.35  1.31   ! target: 3.15  lower: 1.80  upper: 4.46
 assign (resid   6 and name HA  )  (resid   6 and name HD1*)  3.21  1.41  1.38   ! target: 3.21  lower: 1.80  upper: 4.59
 assign (resid   6 and name HN  )  (resid   6 and name HD1*)  3.15  1.35  1.32   ! target: 3.15  lower: 1.80  upper: 4.47
 assign (resid   4 and name HA  )  (resid   4 and name HD* )  3.37  1.57  1.53   ! target: 3.37  lower: 1.80  upper: 4.90
 assign (resid  13 and name HA  )  (resid  13 and name HD1*)  2.86  1.06  1.02   ! target: 2.86  lower: 1.80  upper: 3.88
 assign (resid  10 and name HN  )  (resid  10 and name HG1*)  2.81  1.01  0.97   ! target: 2.81  lower: 1.80  upper: 3.78
 assign (resid  10 and name HG1*)  (resid  11 and name HN  )  3.77  1.97  1.94   ! target: 3.77  lower: 1.80  upper: 5.71
 assign (resid   5 and name HG2*)  (resid   5 and name HG11)  2.79  0.99  0.96   ! target: 2.79  lower: 1.80  upper: 3.75
 assign (resid   7 and name HA  )  (resid   7 and name HG1 )  3.09  1.29  1.25   ! target: 3.09  lower: 1.80  upper: 4.34
 assign (resid   7 and name HA  )  (resid   7 and name HD* )  2.85  1.05  1.01   ! target: 2.85  lower: 1.80  upper: 3.87
 assign (resid  11 and name HB2 )  (resid  12 and name HN  )  3.49  1.69  1.65   ! target: 3.49  lower: 1.80  upper: 5.14
 assign (resid   6 and name HN  )  (resid   6 and name HG  )  3.36  1.56  1.52   ! target: 3.36  lower: 1.80  upper: 4.88
 assign (resid   6 and name HB* )  (resid   6 and name HG  )  2.14  0.34  0.31   ! target: 2.14  lower: 1.80  upper: 2.45
 assign (resid   8 and name HE* )  (resid   9 and name HN  )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid  10 and name HA  )  (resid  10 and name HG1*)  2.94  1.14  1.10   ! target: 2.94  lower: 1.80  upper: 4.04
 assign (resid  10 and name HA  )  (resid  10 and name HG2*)  2.69  0.89  0.85   ! target: 2.69  lower: 1.80  upper: 3.54
 assign (resid  10 and name HN  )  (resid  12 and name HN  )  3.33  1.53  1.49   ! target: 3.33  lower: 1.80  upper: 4.81
 assign (resid  12 and name HN  )  (resid  12 and name HB* )  2.93  1.13  1.10   ! target: 2.93  lower: 1.80  upper: 4.03
 assign (resid  12 and name HN  )  (resid  13 and name HN  )  3.32  1.52  1.48   ! target: 3.32  lower: 1.80  upper: 4.80
 assign (resid   1 and name HB* )  (resid   6 and name HD1*)  3.82  2.02  1.98   ! target: 3.82  lower: 1.80  upper: 5.80
 assign (resid   1 and name HB* )  (resid   2 and name HD2*)  3.70  1.90  1.86   ! target: 3.70  lower: 1.80  upper: 5.56
 assign (resid   1 and name HB* )  (resid   2 and name HB* )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   9 and name HA  )  (resid   9 and name HD1*)  2.75  0.95  0.91   ! target: 2.75  lower: 1.80  upper: 3.66
 assign (resid   9 and name HA  )  (resid   9 and name HG12)  3.01  1.21  1.18   ! target: 3.01  lower: 1.80  upper: 4.19
 assign (resid   9 and name HA  )  (resid   9 and name HG11)  2.99  1.19  1.16   ! target: 2.99  lower: 1.80  upper: 4.15
 assign (resid  10 and name HN  )  (resid  11 and name HN  )  3.09  1.29  1.25   ! target: 3.09  lower: 1.80  upper: 4.34
 assign (resid  11 and name HN  )  (resid  11 and name HG2 )  3.59  1.79  1.75   ! target: 3.59  lower: 1.80  upper: 5.34
 assign (resid  11 and name HN  )  (resid  11 and name HG1 )  3.38  1.58  1.54   ! target: 3.38  lower: 1.80  upper: 4.92
 assign (resid  10 and name HB  )  (resid  11 and name HN  )  3.45  1.65  1.61   ! target: 3.45  lower: 1.80  upper: 5.06
 assign (resid   5 and name HG11)  (resid   6 and name HN  )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   5 and name HB  )  (resid   6 and name HN  )  3.01  1.21  1.18   ! target: 3.01  lower: 1.80  upper: 4.19
 assign (resid   5 and name HN  )  (resid   6 and name HN  )  3.28  1.48  1.44   ! target: 3.28  lower: 1.80  upper: 4.72
 assign (resid   5 and name HG12)  (resid   6 and name HN  )  3.70  1.90  1.86   ! target: 3.70  lower: 1.80  upper: 5.56
 assign (resid   6 and name HN  )  (resid   7 and name HN  )  3.40  1.60  1.56   ! target: 3.40  lower: 1.80  upper: 4.96
 assign (resid   7 and name HN  )  (resid   7 and name HD* )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   4 and name HB2 )  (resid   5 and name HN  )  3.48  1.68  1.64   ! target: 3.48  lower: 1.80  upper: 5.12
 assign (resid   4 and name HA  )  (resid   5 and name HN  )  2.70  0.90  0.86   ! target: 2.70  lower: 1.80  upper: 3.56
 assign (resid   5 and name HN  )  (resid   5 and name HG2*)  2.91  1.11  1.07   ! target: 2.91  lower: 1.80  upper: 3.98
 assign (resid   5 and name HN  )  (resid   5 and name HG11)  3.24  1.44  1.41   ! target: 3.24  lower: 1.80  upper: 4.65
 assign (resid   4 and name HG2 )  (resid   5 and name HN  )  3.20  1.40  1.37   ! target: 3.20  lower: 1.80  upper: 4.57
 assign (resid   5 and name HN  )  (resid   5 and name HB  )  2.99  1.19  1.16   ! target: 2.99  lower: 1.80  upper: 4.15
 assign (resid   4 and name HN  )  (resid   5 and name HN  )  3.13  1.33  1.29   ! target: 3.13  lower: 1.80  upper: 4.42
 assign (resid   5 and name HN  )  (resid   5 and name HD1*)  3.17  1.37  1.33   ! target: 3.17  lower: 1.80  upper: 4.50
 assign (resid   3 and name HA  )  (resid   5 and name HN  )  3.44  1.64  1.60   ! target: 3.44  lower: 1.80  upper: 5.04
 assign (resid   4 and name HG1 )  (resid   5 and name HN  )  3.64  1.84  1.81   ! target: 3.64  lower: 1.80  upper: 5.45
 assign (resid   5 and name HN  )  (resid   7 and name HN  )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   8 and name HA  )  (resid   9 and name HN  )  2.70  0.90  0.86   ! target: 2.70  lower: 1.80  upper: 3.56
 assign (resid   8 and name HA  )  (resid   8 and name HE* )  3.37  1.57  1.54   ! target: 3.37  lower: 1.80  upper: 4.91
 assign (resid   1 and name HA  )  (resid   1 and name HE* )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   2 and name HD1*)  (resid   3 and name HD1 )  2.98  1.18  1.14   ! target: 2.98  lower: 1.80  upper: 4.12
 assign (resid   2 and name HG  )  (resid   3 and name HD1 )  3.52  1.72  1.68   ! target: 3.52  lower: 1.80  upper: 5.20
 assign (resid   1 and name HE* )  (resid   3 and name HD1 )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   2 and name HD2*)  (resid   3 and name HD1 )  3.19  1.39  1.36   ! target: 3.19  lower: 1.80  upper: 4.55
 assign (resid   2 and name HA  )  (resid   3 and name HD1 )  2.83  1.03  0.99   ! target: 2.83  lower: 1.80  upper: 3.81
 assign (resid   7 and name HG2 )  (resid   8 and name HN  )  3.46  1.66  1.62   ! target: 3.46  lower: 1.80  upper: 5.08
 assign (resid   7 and name HA  )  (resid   7 and name HG2 )  2.91  1.11  1.08   ! target: 2.91  lower: 1.80  upper: 3.99
 assign (resid   1 and name HA  )  (resid   2 and name HD2*)  3.42  1.62  1.58   ! target: 3.42  lower: 1.80  upper: 5.00
 assign (resid   2 and name HD2*)  (resid   3 and name HD2 )  3.08  1.28  1.24   ! target: 3.08  lower: 1.80  upper: 4.31
 assign (resid   2 and name HB* )  (resid   2 and name HD2*)  3.07  1.27  1.23   ! target: 3.07  lower: 1.80  upper: 4.30
 assign (resid   2 and name HA  )  (resid   2 and name HD2*)  3.22  1.42  1.39   ! target: 3.22  lower: 1.80  upper: 4.61
 assign (resid   4 and name HN  )  (resid   4 and name HB1 )  2.96  1.16  1.13   ! target: 2.96  lower: 1.80  upper: 4.09
 assign (resid   3 and name HG* )  (resid   4 and name HN  )  3.35  1.55  1.51   ! target: 3.35  lower: 1.80  upper: 4.86
 assign (resid   4 and name HN  )  (resid   4 and name HD* )  3.72  1.92  1.88   ! target: 3.72  lower: 1.80  upper: 5.60
 assign (resid   4 and name HN  )  (resid   4 and name HG2 )  3.19  1.39  1.35   ! target: 3.19  lower: 1.80  upper: 4.54
 assign (resid   4 and name HN  )  (resid   4 and name HE* )  3.81  2.01  1.98   ! target: 3.81  lower: 1.80  upper: 5.79
 assign (resid   9 and name HN  )  (resid   9 and name HG2*)  3.42  1.62  1.58   ! target: 3.42  lower: 1.80  upper: 5.00
 assign (resid   9 and name HA  )  (resid   9 and name HG2*)  2.81  1.01  0.97   ! target: 2.81  lower: 1.80  upper: 3.77
 assign (resid  11 and name HG1 )  (resid  12 and name HN  )  3.68  1.88  1.85   ! target: 3.68  lower: 1.80  upper: 5.53
 assign (resid  11 and name HB1 )  (resid  11 and name HG1 )  2.39  0.59  0.56   ! target: 2.39  lower: 1.80  upper: 2.95
 assign (resid   6 and name HA  )  (resid   6 and name HD2*)  2.85  1.05  1.01   ! target: 2.85  lower: 1.80  upper: 3.86
 assign (resid   6 and name HN  )  (resid   6 and name HD2*)  3.03  1.23  1.19   ! target: 3.03  lower: 1.80  upper: 4.22
 assign (resid   4 and name HA  )  (resid   4 and name HE* )  3.64  1.84  1.80   ! target: 3.64  lower: 1.80  upper: 5.44
 assign (resid  10 and name HN  )  (resid  10 and name HG2*)  3.00  1.20  1.17   ! target: 3.00  lower: 1.80  upper: 4.17
 assign (resid  10 and name HG2*)  (resid  11 and name HN  )  3.85  2.05  2.01   ! target: 3.85  lower: 1.80  upper: 5.86
 assign (resid  13 and name HA  )  (resid  13 and name HG  )  3.10  1.30  1.26   ! target: 3.10  lower: 1.80  upper: 4.36
 assign (resid   5 and name HD1*)  (resid   6 and name HN  )  3.15  1.35  1.32   ! target: 3.15  lower: 1.80  upper: 4.47
 assign (resid   7 and name HB2 )  (resid   8 and name HN  )  3.70  1.90  1.87   ! target: 3.70  lower: 1.80  upper: 5.57
 assign (resid   1 and name HA  )  (resid   2 and name HB* )  3.60  1.80  1.76   ! target: 3.60  lower: 1.80  upper: 5.37
 assign (resid   2 and name HB* )  (resid   2 and name HD1*)  2.73  0.93  0.89   ! target: 2.73  lower: 1.80  upper: 3.62
 assign (resid   2 and name HB* )  (resid   2 and name HG  )  2.28  0.48  0.45   ! target: 2.28  lower: 1.80  upper: 2.73
 assign (resid   2 and name HB* )  (resid   3 and name HD1 )  2.98  1.18  1.15   ! target: 2.98  lower: 1.80  upper: 4.13
 assign (resid   9 and name HG11)  (resid  10 and name HN  )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   9 and name HN  )  (resid   9 and name HG11)  3.43  1.63  1.60   ! target: 3.43  lower: 1.80  upper: 5.03
 assign (resid  11 and name HB1 )  (resid  12 and name HN  )  3.49  1.69  1.66   ! target: 3.49  lower: 1.80  upper: 5.15
 assign (resid   6 and name HB* )  (resid   6 and name HD2*)  2.85  1.05  1.01   ! target: 2.85  lower: 1.80  upper: 3.87
 assign (resid   3 and name HA  )  (resid   4 and name HN  )  2.73  0.93  0.90   ! target: 2.73  lower: 1.80  upper: 3.63
 assign (resid   4 and name HN  )  (resid   4 and name HG1 )  3.42  1.62  1.59   ! target: 3.42  lower: 1.80  upper: 5.01
 assign (resid  13 and name HN  )  (resid  13 and name HD2*)  3.00  1.20  1.16   ! target: 3.00  lower: 1.80  upper: 4.16
 assign (resid  13 and name HN  )  (resid  13 and name HB* )  2.97  1.17  1.14   ! target: 2.97  lower: 1.80  upper: 4.11
 assign (resid  12 and name HB* )  (resid  13 and name HN  )  2.99  1.19  1.16   ! target: 2.99  lower: 1.80  upper: 4.15
 assign (resid  13 and name HN  )  (resid  13 and name HG  )  2.99  1.19  1.15   ! target: 2.99  lower: 1.80  upper: 4.14
 assign (resid   5 and name HN  )  (resid   5 and name HG12)  3.59  1.79  1.75   ! target: 3.59  lower: 1.80  upper: 5.34
 assign (resid   7 and name HN  )  (resid   7 and name HG2 )  3.43  1.63  1.59   ! target: 3.43  lower: 1.80  upper: 5.02
 assign (resid   6 and name HB* )  (resid   7 and name HN  )  3.52  1.72  1.68   ! target: 3.52  lower: 1.80  upper: 5.20
 assign (resid   1 and name HA  )  (resid   1 and name HD* )  3.24  1.44  1.41   ! target: 3.24  lower: 1.80  upper: 4.65
 assign (resid   1 and name HD* )  (resid   3 and name HD2 )  3.90  2.10  2.07   ! target: 3.90  lower: 1.80  upper: 5.97
 assign (resid   1 and name HD* )  (resid   3 and name HD1 )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   1 and name HD* )  (resid   2 and name HB* )  3.82  2.02  1.98   ! target: 3.82  lower: 1.80  upper: 5.80
 assign (resid   1 and name HE* )  (resid   2 and name HB* )  3.94  2.14  2.11   ! target: 3.94  lower: 1.80  upper: 6.05
 assign (resid   1 and name HB* )  (resid   2 and name HA  )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   1 and name HE* )  (resid   3 and name HG* )  3.90  2.10  2.06   ! target: 3.90  lower: 1.80  upper: 5.96
 assign (resid   1 and name HD* )  (resid   3 and name HG* )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   3 and name HG* )  (resid   4 and name HG1 )  3.63  1.83  1.79   ! target: 3.63  lower: 1.80  upper: 5.42
 assign (resid   4 and name HA  )  (resid   7 and name HD* )  3.68  1.88  1.84   ! target: 3.68  lower: 1.80  upper: 5.52
 assign (resid  10 and name HA  )  (resid  12 and name HB* )  3.69  1.89  1.86   ! target: 3.69  lower: 1.80  upper: 5.55
 assign (resid   1 and name HD* )  (resid   6 and name HD1*)  3.24  1.44  1.41   ! target: 3.24  lower: 1.80  upper: 4.65
 assign (resid   1 and name HE* )  (resid   6 and name HD1*)  3.07  1.27  1.23   ! target: 3.07  lower: 1.80  upper: 4.29
 assign (resid   7 and name HB1 )  (resid  11 and name HN  )  3.80  2.00  1.96   ! target: 3.80  lower: 1.80  upper: 5.76
 assign (resid   7 and name HA  )  (resid  10 and name HG2*)  2.89  1.09  1.06   ! target: 2.89  lower: 1.80  upper: 3.95
 assign (resid   1 and name HB* )  (resid   5 and name HD1*)  3.45  1.65  1.61   ! target: 3.45  lower: 1.80  upper: 5.06
 assign (resid  10 and name HA  )  (resid  13 and name HG  )  3.50  1.70  1.66   ! target: 3.50  lower: 1.80  upper: 5.16
 assign (resid  10 and name HB  )  (resid  13 and name HB* )  3.51  1.71  1.67   ! target: 3.51  lower: 1.80  upper: 5.18
 assign (resid   1 and name HE* )  (resid   3 and name HA  )  3.58  1.78  1.74   ! target: 3.58  lower: 1.80  upper: 5.31
 assign (resid   1 and name HD* )  (resid   3 and name HA  )  3.52  1.72  1.68   ! target: 3.52  lower: 1.80  upper: 5.20
 assign (resid   1 and name HD* )  (resid   6 and name HD2*)  2.96  1.16  1.12   ! target: 2.96  lower: 1.80  upper: 4.08
 assign (resid   1 and name HE* )  (resid   6 and name HD2*)  3.01  1.21  1.18   ! target: 3.01  lower: 1.80  upper: 4.19
 assign (resid   1 and name HE* )  (resid   5 and name HG11)  3.96  2.16  2.12   ! target: 3.96  lower: 1.80  upper: 6.08
 assign (resid   1 and name HD* )  (resid   5 and name HG11)  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   1 and name HE* )  (resid   6 and name HG  )  3.64  1.84  1.80   ! target: 3.64  lower: 1.80  upper: 5.44
 assign (resid   1 and name HD* )  (resid   6 and name HG  )  3.91  2.11  2.08   ! target: 3.91  lower: 1.80  upper: 5.99
 assign (resid   3 and name HA  )  (resid   7 and name HD* )  3.44  1.64  1.60   ! target: 3.44  lower: 1.80  upper: 5.04
 assign (resid   3 and name HA  )  (resid   7 and name HN  )  3.36  1.56  1.52   ! target: 3.36  lower: 1.80  upper: 4.89
 assign (resid   6 and name HG  )  (resid   7 and name HN  )  3.56  1.76  1.72   ! target: 3.56  lower: 1.80  upper: 5.28
 assign (resid   5 and name HA  )  (resid   7 and name HN  )  3.93  2.13  2.10   ! target: 3.93  lower: 1.80  upper: 6.03
 assign (resid   7 and name HD* )  (resid   9 and name HN  )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   6 and name HD1*)  (resid   7 and name HN  )  3.05  1.25  1.22   ! target: 3.05  lower: 1.80  upper: 4.27
 assign (resid   6 and name HD2*)  (resid   7 and name HN  )  3.01  1.21  1.17   ! target: 3.01  lower: 1.80  upper: 4.18
 assign (resid   1 and name HB* )  (resid   6 and name HD2*)  3.13  1.33  1.29   ! target: 3.13  lower: 1.80  upper: 4.42
 assign (resid   1 and name HB* )  (resid   6 and name HB* )  3.48  1.68  1.64   ! target: 3.48  lower: 1.80  upper: 5.12
 assign (resid   1 and name HD* )  (resid   2 and name HD2*)  3.90  2.10  2.07   ! target: 3.90  lower: 1.80  upper: 5.97
 assign (resid   2 and name HA  )  (resid   4 and name HN  )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   9 and name HG2*)  (resid  10 and name HA  )  3.19  1.39  1.36   ! target: 3.19  lower: 1.80  upper: 4.55
 assign (resid   9 and name HB  )  (resid  10 and name HA  )  3.53  1.73  1.69   ! target: 3.53  lower: 1.80  upper: 5.22
 assign (resid  10 and name HA  )  (resid  13 and name HB* )  3.30  1.50  1.46   ! target: 3.30  lower: 1.80  upper: 4.76
 assign (resid   9 and name HA  )  (resid  12 and name HB* )  2.89  1.09  1.05   ! target: 2.89  lower: 1.80  upper: 3.94
 assign (resid   8 and name HA  )  (resid  11 and name HB1 )  3.07  1.27  1.23   ! target: 3.07  lower: 1.80  upper: 4.29
 assign (resid   8 and name HA  )  (resid  11 and name HB2 )  2.84  1.04  1.00   ! target: 2.84  lower: 1.80  upper: 3.85
 assign (resid   6 and name HD2*)  (resid   7 and name HA  )  3.19  1.39  1.36   ! target: 3.19  lower: 1.80  upper: 4.55
 assign (resid   7 and name HA  )  (resid  10 and name HG1*)  3.02  1.22  1.19   ! target: 3.02  lower: 1.80  upper: 4.21
 assign (resid   6 and name HD1*)  (resid   7 and name HA  )  2.89  1.09  1.05   ! target: 2.89  lower: 1.80  upper: 3.94
 assign (resid   7 and name HA  )  (resid  10 and name HB  )  2.93  1.13  1.10   ! target: 2.93  lower: 1.80  upper: 4.03
 assign (resid   6 and name HA  )  (resid   9 and name HB  )  3.19  1.39  1.35   ! target: 3.19  lower: 1.80  upper: 4.54
 assign (resid   5 and name HA  )  (resid   8 and name HB1 )  3.87  2.07  2.03   ! target: 3.87  lower: 1.80  upper: 5.91
 assign (resid   5 and name HA  )  (resid   8 and name HB2 )  3.74  1.94  1.91   ! target: 3.74  lower: 1.80  upper: 5.65
 assign (resid   4 and name HA  )  (resid   7 and name HB1 )  3.45  1.65  1.62   ! target: 3.45  lower: 1.80  upper: 5.07
 assign (resid   4 and name HA  )  (resid   7 and name HB2 )  3.46  1.66  1.63   ! target: 3.46  lower: 1.80  upper: 5.09
 assign (resid   3 and name HG* )  (resid   4 and name HA  )  3.83  2.03  1.99   ! target: 3.83  lower: 1.80  upper: 5.82
 assign (resid  10 and name HA  )  (resid  12 and name HN  )  3.47  1.67  1.63   ! target: 3.47  lower: 1.80  upper: 5.10
 assign (resid  10 and name HA  )  (resid  13 and name HN  )  3.28  1.48  1.44   ! target: 3.28  lower: 1.80  upper: 4.72
 assign (resid   8 and name HA  )  (resid  11 and name HN  )  3.56  1.76  1.73   ! target: 3.56  lower: 1.80  upper: 5.29
 assign (resid   9 and name HA  )  (resid  11 and name HN  )  3.52  1.72  1.68   ! target: 3.52  lower: 1.80  upper: 5.20
 assign (resid   7 and name HA  )  (resid  10 and name HN  )  3.14  1.34  1.31   ! target: 3.14  lower: 1.80  upper: 4.45
 assign (resid   8 and name HA  )  (resid  10 and name HN  )  3.18  1.38  1.34   ! target: 3.18  lower: 1.80  upper: 4.52
 assign (resid   9 and name HA  )  (resid  10 and name HN  )  2.74  0.94  0.90   ! target: 2.74  lower: 1.80  upper: 3.64
 assign (resid   7 and name HA  )  (resid   9 and name HN  )  3.11  1.31  1.27   ! target: 3.11  lower: 1.80  upper: 4.38
 assign (resid   6 and name HA  )  (resid   9 and name HN  )  3.26  1.46  1.43   ! target: 3.26  lower: 1.80  upper: 4.69
 assign (resid   4 and name HA  )  (resid   7 and name HN  )  3.92  2.12  2.09   ! target: 3.92  lower: 1.80  upper: 6.01
 assign (resid   4 and name HA  )  (resid   6 and name HN  )  3.45  1.65  1.61   ! target: 3.45  lower: 1.80  upper: 5.06
 assign (resid  11 and name HA  )  (resid  11 and name HD* )  3.01  1.21  1.18   ! target: 3.01  lower: 1.80  upper: 4.19
 assign (resid   4 and name HB1 )  (resid   5 and name HN  )  3.54  1.74  1.71   ! target: 3.54  lower: 1.80  upper: 5.25
 assign (resid   4 and name HB1 )  (resid   4 and name HE* )  3.45  1.65  1.61   ! target: 3.45  lower: 1.80  upper: 5.06
 assign (resid   8 and name HA  )  (resid   8 and name HD* )  3.14  1.34  1.31   ! target: 3.14  lower: 1.80  upper: 4.45
 assign (resid   9 and name HN  )  (resid  10 and name HN  )  3.28  1.48  1.44   ! target: 3.28  lower: 1.80  upper: 4.72
 assign (resid   9 and name HD1*)  (resid  10 and name HN  )  3.33  1.53  1.49   ! target: 3.33  lower: 1.80  upper: 4.82
 assign (resid   9 and name HG12)  (resid  10 and name HN  )  3.64  1.84  1.81   ! target: 3.64  lower: 1.80  upper: 5.45
 assign (resid   9 and name HG2*)  (resid  10 and name HN  )  3.22  1.42  1.39   ! target: 3.22  lower: 1.80  upper: 4.61
 assign (resid  10 and name HN  )  (resid  10 and name HB  )  2.80  1.00  0.96   ! target: 2.80  lower: 1.80  upper: 3.76
 assign (resid   5 and name HA  )  (resid   5 and name HG2*)  2.86  1.06  1.03   ! target: 2.86  lower: 1.80  upper: 3.89
 assign (resid   5 and name HA  )  (resid   5 and name HD1*)  3.02  1.22  1.19   ! target: 3.02  lower: 1.80  upper: 4.21
 assign (resid   2 and name HA  )  (resid   3 and name HG* )  3.72  1.92  1.88   ! target: 3.72  lower: 1.80  upper: 5.60
 assign (resid   1 and name HA  )  (resid   2 and name HG  )  3.83  2.03  1.99   ! target: 3.83  lower: 1.80  upper: 5.81
 assign (resid  13 and name HB* )  (resid  13 and name HD2*)  2.81  1.01  0.97   ! target: 2.81  lower: 1.80  upper: 3.77
 assign (resid  13 and name HA  )  (resid  13 and name HD2*)  2.86  1.06  1.02   ! target: 2.86  lower: 1.80  upper: 3.88
 assign (resid   9 and name HN  )  (resid   9 and name HB  )  2.84  1.04  1.00   ! target: 2.84  lower: 1.80  upper: 3.85
 assign (resid   8 and name HB2 )  (resid   9 and name HN  )  3.47  1.67  1.63   ! target: 3.47  lower: 1.80  upper: 5.10
 assign (resid   9 and name HN  )  (resid   9 and name HG12)  2.85  1.05  1.01   ! target: 2.85  lower: 1.80  upper: 3.87
 assign (resid   8 and name HB1 )  (resid   9 and name HN  )  3.13  1.33  1.30   ! target: 3.13  lower: 1.80  upper: 4.43
 assign (resid   8 and name HG1 )  (resid   9 and name HN  )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   8 and name HG2 )  (resid   9 and name HN  )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   7 and name HN  )  (resid   7 and name HG1 )  3.32  1.52  1.48   ! target: 3.32  lower: 1.80  upper: 4.80
 assign (resid  11 and name HB2 )  (resid  11 and name HD* )  3.08  1.28  1.24   ! target: 3.08  lower: 1.80  upper: 4.31
 assign (resid  11 and name HD* )  (resid  12 and name HN  )  3.93  2.13  2.10   ! target: 3.93  lower: 1.80  upper: 6.03
 assign (resid  11 and name HB1 )  (resid  11 and name HD* )  2.93  1.13  1.09   ! target: 2.93  lower: 1.80  upper: 4.02
 assign (resid   8 and name HN  )  (resid   9 and name HN  )  3.14  1.34  1.30   ! target: 3.14  lower: 1.80  upper: 4.44
 assign (resid   7 and name HG1 )  (resid   8 and name HN  )  3.10  1.30  1.26   ! target: 3.10  lower: 1.80  upper: 4.37
 assign (resid   8 and name HN  )  (resid   8 and name HE* )  3.73  1.93  1.89   ! target: 3.73  lower: 1.80  upper: 5.62
 assign (resid   7 and name HD* )  (resid   8 and name HN  )  3.64  1.84  1.80   ! target: 3.64  lower: 1.80  upper: 5.44
 assign (resid   8 and name HN  )  (resid   8 and name HG1 )  3.86  2.06  2.02   ! target: 3.86  lower: 1.80  upper: 5.88
 assign (resid   7 and name HN  )  (resid   8 and name HN  )  3.51  1.71  1.67   ! target: 3.51  lower: 1.80  upper: 5.18
 assign (resid   8 and name HN  )  (resid   8 and name HG2 )  3.52  1.72  1.68   ! target: 3.52  lower: 1.80  upper: 5.20
 assign (resid   2 and name HD1*)  (resid   3 and name HD2 )  2.94  1.14  1.10   ! target: 2.94  lower: 1.80  upper: 4.04
 assign (resid   2 and name HG  )  (resid   3 and name HD2 )  3.49  1.69  1.66   ! target: 3.49  lower: 1.80  upper: 5.15
 assign (resid   2 and name HB* )  (resid   3 and name HD2 )  3.06  1.26  1.22   ! target: 3.06  lower: 1.80  upper: 4.28
 assign (resid   2 and name HA  )  (resid   3 and name HD2 )  2.74  0.94  0.91   ! target: 2.74  lower: 1.80  upper: 3.65
 assign (resid  13 and name HB* )  (resid  13 and name HD1*)  2.74  0.94  0.90   ! target: 2.74  lower: 1.80  upper: 3.64
 assign (resid   5 and name HG2*)  (resid   6 and name HN  )  3.07  1.27  1.23   ! target: 3.07  lower: 1.80  upper: 4.30
 assign (resid   7 and name HB1 )  (resid   8 and name HN  )  3.39  1.59  1.56   ! target: 3.39  lower: 1.80  upper: 4.95
 assign (resid   1 and name HA  )  (resid   2 and name HD1*)  3.43  1.63  1.59   ! target: 3.43  lower: 1.80  upper: 5.02
 assign (resid   2 and name HA  )  (resid   2 and name HD1*)  3.58  1.78  1.74   ! target: 3.58  lower: 1.80  upper: 5.31
 assign (resid   9 and name HN  )  (resid   9 and name HD1*)  3.15  1.35  1.31   ! target: 3.15  lower: 1.80  upper: 4.46
 assign (resid   6 and name HA  )  (resid   6 and name HD1*)  3.21  1.41  1.38   ! target: 3.21  lower: 1.80  upper: 4.59
 assign (resid   6 and name HN  )  (resid   6 and name HD1*)  3.15  1.35  1.32   ! target: 3.15  lower: 1.80  upper: 4.47
 assign (resid   4 and name HA  )  (resid   4 and name HD* )  3.37  1.57  1.53   ! target: 3.37  lower: 1.80  upper: 4.90
 assign (resid  13 and name HA  )  (resid  13 and name HD1*)  2.86  1.06  1.02   ! target: 2.86  lower: 1.80  upper: 3.88
 assign (resid  10 and name HN  )  (resid  10 and name HG1*)  2.81  1.01  0.97   ! target: 2.81  lower: 1.80  upper: 3.78
 assign (resid  10 and name HG1*)  (resid  11 and name HN  )  3.77  1.97  1.94   ! target: 3.77  lower: 1.80  upper: 5.71
 assign (resid   5 and name HG2*)  (resid   5 and name HG11)  2.79  0.99  0.96   ! target: 2.79  lower: 1.80  upper: 3.75
 assign (resid   7 and name HA  )  (resid   7 and name HG1 )  3.09  1.29  1.25   ! target: 3.09  lower: 1.80  upper: 4.34
 assign (resid   7 and name HA  )  (resid   7 and name HD* )  2.85  1.05  1.01   ! target: 2.85  lower: 1.80  upper: 3.87
 assign (resid  11 and name HB2 )  (resid  12 and name HN  )  3.49  1.69  1.65   ! target: 3.49  lower: 1.80  upper: 5.14
 assign (resid   6 and name HN  )  (resid   6 and name HG  )  3.36  1.56  1.52   ! target: 3.36  lower: 1.80  upper: 4.88
 assign (resid   6 and name HB* )  (resid   6 and name HG  )  2.14  0.34  0.31   ! target: 2.14  lower: 1.80  upper: 2.45
 assign (resid   8 and name HE* )  (resid   9 and name HN  )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid  10 and name HA  )  (resid  10 and name HG1*)  2.94  1.14  1.10   ! target: 2.94  lower: 1.80  upper: 4.04
 assign (resid  10 and name HA  )  (resid  10 and name HG2*)  2.69  0.89  0.85   ! target: 2.69  lower: 1.80  upper: 3.54
 assign (resid  10 and name HN  )  (resid  12 and name HN  )  3.33  1.53  1.49   ! target: 3.33  lower: 1.80  upper: 4.81
 assign (resid  12 and name HN  )  (resid  12 and name HB* )  2.93  1.13  1.10   ! target: 2.93  lower: 1.80  upper: 4.03
 assign (resid  12 and name HN  )  (resid  13 and name HN  )  3.32  1.52  1.48   ! target: 3.32  lower: 1.80  upper: 4.80
 assign (resid   1 and name HB* )  (resid   6 and name HD1*)  3.82  2.02  1.98   ! target: 3.82  lower: 1.80  upper: 5.80
 assign (resid   1 and name HB* )  (resid   2 and name HD2*)  3.70  1.90  1.86   ! target: 3.70  lower: 1.80  upper: 5.56
 assign (resid   1 and name HB* )  (resid   2 and name HB* )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   9 and name HA  )  (resid   9 and name HD1*)  2.75  0.95  0.91   ! target: 2.75  lower: 1.80  upper: 3.66
 assign (resid   9 and name HA  )  (resid   9 and name HG12)  3.01  1.21  1.18   ! target: 3.01  lower: 1.80  upper: 4.19
 assign (resid   9 and name HA  )  (resid   9 and name HG11)  2.99  1.19  1.16   ! target: 2.99  lower: 1.80  upper: 4.15
 assign (resid  10 and name HN  )  (resid  11 and name HN  )  3.09  1.29  1.25   ! target: 3.09  lower: 1.80  upper: 4.34
 assign (resid  11 and name HN  )  (resid  11 and name HG2 )  3.59  1.79  1.75   ! target: 3.59  lower: 1.80  upper: 5.34
 assign (resid  11 and name HN  )  (resid  11 and name HG1 )  3.38  1.58  1.54   ! target: 3.38  lower: 1.80  upper: 4.92
 assign (resid  10 and name HB  )  (resid  11 and name HN  )  3.45  1.65  1.61   ! target: 3.45  lower: 1.80  upper: 5.06
 assign (resid   5 and name HG11)  (resid   6 and name HN  )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   5 and name HB  )  (resid   6 and name HN  )  3.01  1.21  1.18   ! target: 3.01  lower: 1.80  upper: 4.19
 assign (resid   5 and name HN  )  (resid   6 and name HN  )  3.28  1.48  1.44   ! target: 3.28  lower: 1.80  upper: 4.72
 assign (resid   5 and name HG12)  (resid   6 and name HN  )  3.70  1.90  1.86   ! target: 3.70  lower: 1.80  upper: 5.56
 assign (resid   6 and name HN  )  (resid   7 and name HN  )  3.40  1.60  1.56   ! target: 3.40  lower: 1.80  upper: 4.96
 assign (resid   7 and name HN  )  (resid   7 and name HD* )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   4 and name HB2 )  (resid   5 and name HN  )  3.48  1.68  1.64   ! target: 3.48  lower: 1.80  upper: 5.12
 assign (resid   4 and name HA  )  (resid   5 and name HN  )  2.70  0.90  0.86   ! target: 2.70  lower: 1.80  upper: 3.56
 assign (resid   5 and name HN  )  (resid   5 and name HG2*)  2.91  1.11  1.07   ! target: 2.91  lower: 1.80  upper: 3.98
 assign (resid   5 and name HN  )  (resid   5 and name HG11)  3.24  1.44  1.41   ! target: 3.24  lower: 1.80  upper: 4.65
 assign (resid   4 and name HG2 )  (resid   5 and name HN  )  3.20  1.40  1.37   ! target: 3.20  lower: 1.80  upper: 4.57
 assign (resid   5 and name HN  )  (resid   5 and name HB  )  2.99  1.19  1.16   ! target: 2.99  lower: 1.80  upper: 4.15
 assign (resid   4 and name HN  )  (resid   5 and name HN  )  3.13  1.33  1.29   ! target: 3.13  lower: 1.80  upper: 4.42
 assign (resid   5 and name HN  )  (resid   5 and name HD1*)  3.17  1.37  1.33   ! target: 3.17  lower: 1.80  upper: 4.50
 assign (resid   3 and name HA  )  (resid   5 and name HN  )  3.44  1.64  1.60   ! target: 3.44  lower: 1.80  upper: 5.04
 assign (resid   4 and name HG1 )  (resid   5 and name HN  )  3.64  1.84  1.81   ! target: 3.64  lower: 1.80  upper: 5.45
 assign (resid   5 and name HN  )  (resid   7 and name HN  )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   8 and name HA  )  (resid   9 and name HN  )  2.70  0.90  0.86   ! target: 2.70  lower: 1.80  upper: 3.56
 assign (resid   8 and name HA  )  (resid   8 and name HE* )  3.37  1.57  1.54   ! target: 3.37  lower: 1.80  upper: 4.91
 assign (resid   1 and name HA  )  (resid   1 and name HE* )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   2 and name HD1*)  (resid   3 and name HD1 )  2.98  1.18  1.14   ! target: 2.98  lower: 1.80  upper: 4.12
 assign (resid   2 and name HG  )  (resid   3 and name HD1 )  3.52  1.72  1.68   ! target: 3.52  lower: 1.80  upper: 5.20
 assign (resid   1 and name HE* )  (resid   3 and name HD1 )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   2 and name HD2*)  (resid   3 and name HD1 )  3.19  1.39  1.36   ! target: 3.19  lower: 1.80  upper: 4.55
 assign (resid   2 and name HA  )  (resid   3 and name HD1 )  2.83  1.03  0.99   ! target: 2.83  lower: 1.80  upper: 3.81
 assign (resid   7 and name HG2 )  (resid   8 and name HN  )  3.46  1.66  1.62   ! target: 3.46  lower: 1.80  upper: 5.08
 assign (resid   7 and name HA  )  (resid   7 and name HG2 )  2.91  1.11  1.08   ! target: 2.91  lower: 1.80  upper: 3.99
 assign (resid   1 and name HA  )  (resid   2 and name HD2*)  3.42  1.62  1.58   ! target: 3.42  lower: 1.80  upper: 5.00
 assign (resid   2 and name HD2*)  (resid   3 and name HD2 )  3.08  1.28  1.24   ! target: 3.08  lower: 1.80  upper: 4.31
 assign (resid   2 and name HB* )  (resid   2 and name HD2*)  3.07  1.27  1.23   ! target: 3.07  lower: 1.80  upper: 4.30
 assign (resid   2 and name HA  )  (resid   2 and name HD2*)  3.22  1.42  1.39   ! target: 3.22  lower: 1.80  upper: 4.61
 assign (resid   4 and name HN  )  (resid   4 and name HB1 )  2.96  1.16  1.13   ! target: 2.96  lower: 1.80  upper: 4.09
 assign (resid   3 and name HG* )  (resid   4 and name HN  )  3.35  1.55  1.51   ! target: 3.35  lower: 1.80  upper: 4.86
 assign (resid   4 and name HN  )  (resid   4 and name HD* )  3.72  1.92  1.88   ! target: 3.72  lower: 1.80  upper: 5.60
 assign (resid   4 and name HN  )  (resid   4 and name HG2 )  3.19  1.39  1.35   ! target: 3.19  lower: 1.80  upper: 4.54
 assign (resid   4 and name HN  )  (resid   4 and name HE* )  3.81  2.01  1.98   ! target: 3.81  lower: 1.80  upper: 5.79
 assign (resid   9 and name HN  )  (resid   9 and name HG2*)  3.42  1.62  1.58   ! target: 3.42  lower: 1.80  upper: 5.00
 assign (resid   9 and name HA  )  (resid   9 and name HG2*)  2.81  1.01  0.97   ! target: 2.81  lower: 1.80  upper: 3.77
 assign (resid  11 and name HG1 )  (resid  12 and name HN  )  3.68  1.88  1.85   ! target: 3.68  lower: 1.80  upper: 5.53
 assign (resid  11 and name HB1 )  (resid  11 and name HG1 )  2.39  0.59  0.56   ! target: 2.39  lower: 1.80  upper: 2.95
 assign (resid   6 and name HA  )  (resid   6 and name HD2*)  2.85  1.05  1.01   ! target: 2.85  lower: 1.80  upper: 3.86
 assign (resid   6 and name HN  )  (resid   6 and name HD2*)  3.03  1.23  1.19   ! target: 3.03  lower: 1.80  upper: 4.22
 assign (resid   4 and name HA  )  (resid   4 and name HE* )  3.64  1.84  1.80   ! target: 3.64  lower: 1.80  upper: 5.44
 assign (resid  10 and name HN  )  (resid  10 and name HG2*)  3.00  1.20  1.17   ! target: 3.00  lower: 1.80  upper: 4.17
 assign (resid  10 and name HG2*)  (resid  11 and name HN  )  3.85  2.05  2.01   ! target: 3.85  lower: 1.80  upper: 5.86
 assign (resid  13 and name HA  )  (resid  13 and name HG  )  3.10  1.30  1.26   ! target: 3.10  lower: 1.80  upper: 4.36
 assign (resid   5 and name HD1*)  (resid   6 and name HN  )  3.15  1.35  1.32   ! target: 3.15  lower: 1.80  upper: 4.47
 assign (resid   7 and name HB2 )  (resid   8 and name HN  )  3.70  1.90  1.87   ! target: 3.70  lower: 1.80  upper: 5.57
 assign (resid   1 and name HA  )  (resid   2 and name HB* )  3.60  1.80  1.76   ! target: 3.60  lower: 1.80  upper: 5.37
 assign (resid   2 and name HB* )  (resid   2 and name HD1*)  2.73  0.93  0.89   ! target: 2.73  lower: 1.80  upper: 3.62
 assign (resid   2 and name HB* )  (resid   2 and name HG  )  2.28  0.48  0.45   ! target: 2.28  lower: 1.80  upper: 2.73
 assign (resid   2 and name HB* )  (resid   3 and name HD1 )  2.98  1.18  1.15   ! target: 2.98  lower: 1.80  upper: 4.13
 assign (resid   9 and name HG11)  (resid  10 and name HN  )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   9 and name HN  )  (resid   9 and name HG11)  3.43  1.63  1.60   ! target: 3.43  lower: 1.80  upper: 5.03
 assign (resid  11 and name HB1 )  (resid  12 and name HN  )  3.49  1.69  1.66   ! target: 3.49  lower: 1.80  upper: 5.15
 assign (resid   6 and name HB* )  (resid   6 and name HD2*)  2.85  1.05  1.01   ! target: 2.85  lower: 1.80  upper: 3.87
 assign (resid   3 and name HA  )  (resid   4 and name HN  )  2.73  0.93  0.90   ! target: 2.73  lower: 1.80  upper: 3.63
 assign (resid   4 and name HN  )  (resid   4 and name HG1 )  3.42  1.62  1.59   ! target: 3.42  lower: 1.80  upper: 5.01
 assign (resid  13 and name HN  )  (resid  13 and name HD2*)  3.00  1.20  1.16   ! target: 3.00  lower: 1.80  upper: 4.16
 assign (resid  13 and name HN  )  (resid  13 and name HB* )  2.97  1.17  1.14   ! target: 2.97  lower: 1.80  upper: 4.11
 assign (resid  12 and name HB* )  (resid  13 and name HN  )  2.99  1.19  1.16   ! target: 2.99  lower: 1.80  upper: 4.15
 assign (resid  13 and name HN  )  (resid  13 and name HG  )  2.99  1.19  1.15   ! target: 2.99  lower: 1.80  upper: 4.14
 assign (resid   5 and name HN  )  (resid   5 and name HG12)  3.59  1.79  1.75   ! target: 3.59  lower: 1.80  upper: 5.34
 assign (resid   7 and name HN  )  (resid   7 and name HG2 )  3.43  1.63  1.59   ! target: 3.43  lower: 1.80  upper: 5.02
 assign (resid   6 and name HB* )  (resid   7 and name HN  )  3.52  1.72  1.68   ! target: 3.52  lower: 1.80  upper: 5.20
 assign (resid   1 and name HA  )  (resid   1 and name HD* )  3.24  1.44  1.41   ! target: 3.24  lower: 1.80  upper: 4.65
 assign (resid   1 and name HD* )  (resid   3 and name HD2 )  3.90  2.10  2.07   ! target: 3.90  lower: 1.80  upper: 5.97
 assign (resid   1 and name HD* )  (resid   3 and name HD1 )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   1 and name HD* )  (resid   2 and name HB* )  3.82  2.02  1.98   ! target: 3.82  lower: 1.80  upper: 5.80
 assign (resid   1 and name HE* )  (resid   2 and name HB* )  3.94  2.14  2.11   ! target: 3.94  lower: 1.80  upper: 6.05
 assign (resid   1 and name HB* )  (resid   2 and name HA  )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   1 and name HE* )  (resid   3 and name HG* )  3.90  2.10  2.06   ! target: 3.90  lower: 1.80  upper: 5.96
 assign (resid   1 and name HD* )  (resid   3 and name HG* )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   3 and name HG* )  (resid   4 and name HG1 )  3.63  1.83  1.79   ! target: 3.63  lower: 1.80  upper: 5.42
 assign (resid   4 and name HA  )  (resid   7 and name HD* )  3.68  1.88  1.84   ! target: 3.68  lower: 1.80  upper: 5.52
 assign (resid  10 and name HA  )  (resid  12 and name HB* )  3.69  1.89  1.86   ! target: 3.69  lower: 1.80  upper: 5.55
 assign (resid   1 and name HD* )  (resid   6 and name HD1*)  3.24  1.44  1.41   ! target: 3.24  lower: 1.80  upper: 4.65
 assign (resid   1 and name HE* )  (resid   6 and name HD1*)  3.07  1.27  1.23   ! target: 3.07  lower: 1.80  upper: 4.29
 assign (resid   7 and name HB1 )  (resid  11 and name HN  )  3.80  2.00  1.96   ! target: 3.80  lower: 1.80  upper: 5.76
 assign (resid   7 and name HA  )  (resid  10 and name HG2*)  2.89  1.09  1.06   ! target: 2.89  lower: 1.80  upper: 3.95
 assign (resid   1 and name HB* )  (resid   5 and name HD1*)  3.45  1.65  1.61   ! target: 3.45  lower: 1.80  upper: 5.06
 assign (resid  10 and name HA  )  (resid  13 and name HG  )  3.50  1.70  1.66   ! target: 3.50  lower: 1.80  upper: 5.16
 assign (resid  10 and name HB  )  (resid  13 and name HB* )  3.51  1.71  1.67   ! target: 3.51  lower: 1.80  upper: 5.18
 assign (resid   1 and name HE* )  (resid   3 and name HA  )  3.58  1.78  1.74   ! target: 3.58  lower: 1.80  upper: 5.31
 assign (resid   1 and name HD* )  (resid   3 and name HA  )  3.52  1.72  1.68   ! target: 3.52  lower: 1.80  upper: 5.20
 assign (resid   1 and name HD* )  (resid   6 and name HD2*)  2.96  1.16  1.12   ! target: 2.96  lower: 1.80  upper: 4.08
 assign (resid   1 and name HE* )  (resid   6 and name HD2*)  3.01  1.21  1.18   ! target: 3.01  lower: 1.80  upper: 4.19
 assign (resid   1 and name HE* )  (resid   5 and name HG11)  3.96  2.16  2.12   ! target: 3.96  lower: 1.80  upper: 6.08
 assign (resid   1 and name HD* )  (resid   5 and name HG11)  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   1 and name HE* )  (resid   6 and name HG  )  3.64  1.84  1.80   ! target: 3.64  lower: 1.80  upper: 5.44
 assign (resid   1 and name HD* )  (resid   6 and name HG  )  3.91  2.11  2.08   ! target: 3.91  lower: 1.80  upper: 5.99
 assign (resid   3 and name HA  )  (resid   7 and name HD* )  3.44  1.64  1.60   ! target: 3.44  lower: 1.80  upper: 5.04
 assign (resid   3 and name HA  )  (resid   7 and name HN  )  3.36  1.56  1.52   ! target: 3.36  lower: 1.80  upper: 4.89
 assign (resid   6 and name HG  )  (resid   7 and name HN  )  3.56  1.76  1.72   ! target: 3.56  lower: 1.80  upper: 5.28
 assign (resid   5 and name HA  )  (resid   7 and name HN  )  3.93  2.13  2.10   ! target: 3.93  lower: 1.80  upper: 6.03
 assign (resid   7 and name HD* )  (resid   9 and name HN  )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
 assign (resid   6 and name HD1*)  (resid   7 and name HN  )  3.05  1.25  1.22   ! target: 3.05  lower: 1.80  upper: 4.27
 assign (resid   6 and name HD2*)  (resid   7 and name HN  )  3.01  1.21  1.17   ! target: 3.01  lower: 1.80  upper: 4.18
 assign (resid   1 and name HB* )  (resid   6 and name HD2*)  3.13  1.33  1.29   ! target: 3.13  lower: 1.80  upper: 4.42
 assign (resid   1 and name HB* )  (resid   6 and name HB* )  3.48  1.68  1.64   ! target: 3.48  lower: 1.80  upper: 5.12
 assign (resid   1 and name HD* )  (resid   2 and name HD2*)  3.90  2.10  2.07   ! target: 3.90  lower: 1.80  upper: 5.97
 assign (resid   2 and name HA  )  (resid   4 and name HN  )  3.98  2.18  2.14   ! target: 3.98  lower: 1.80  upper: 6.12
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           H        PHE   1   1.807   0.001   0.856
    2    HA   PHE   1           HA       PHE   1   2.039  -0.992  -1.663
    3    HB2  PHE   1          2HB       PHE   1   2.010   0.909  -3.179
    4    HB3  PHE   1          3HB       PHE   1   0.449   0.767  -2.378
    5    HD1  PHE   1           HD1      PHE   1   3.609   2.667  -2.454
    6    HD2  PHE   1           HD2      PHE   1  -0.394   2.502  -1.016
    7    HE1  PHE   1           HE1      PHE   1   3.780   5.008  -1.717
    8    HE2  PHE   1           HE2      PHE   1  -0.230   4.843  -0.279
    9    HZ   PHE   1           HZ       PHE   1   1.859   6.100  -0.629
   10    H    LEU   2           H        LEU   2   4.037  -0.139  -2.859
   11    HA   LEU   2           HA       LEU   2   6.019   0.703  -0.850
   12    HB2  LEU   2          2HB       LEU   2   6.156  -1.192  -3.155
   13    HB3  LEU   2          3HB       LEU   2   7.620  -0.390  -2.591
   14    HG   LEU   2           HG       LEU   2   7.418  -2.628  -1.653
   15   HD11  LEU   2          1HD1      LEU   2   6.963  -0.497   0.430
   16   HD12  LEU   2          2HD1      LEU   2   8.505  -0.853  -0.347
   17   HD13  LEU   2          3HD1      LEU   2   7.736  -2.063   0.679
   18   HD21  LEU   2          1HD2      LEU   2   4.971  -1.702  -0.177
   19   HD22  LEU   2          2HD2      LEU   2   5.628  -3.334  -0.305
   20   HD23  LEU   2          3HD2      LEU   2   4.874  -2.574  -1.707
   21    HA   PRO   3           HA       PRO   3   7.065   4.262  -3.193
   22    HB2  PRO   3          2HB       PRO   3   9.755   4.394  -2.852
   23    HB3  PRO   3          3HB       PRO   3   8.604   4.758  -1.561
   24    HG2  PRO   3          2HG       PRO   3  10.147   2.244  -2.068
   25    HG3  PRO   3          3HG       PRO   3   9.846   3.082  -0.535
   26    HD2  PRO   3          2HD       PRO   3   8.442   0.898  -1.301
   27    HD3  PRO   3          3HD       PRO   3   7.730   2.195  -0.320
   28    H    LYS   4           H        LYS   4   9.122   1.439  -3.815
   29    HA   LYS   4           HA       LYS   4  10.173   2.322  -6.276
   30    HB2  LYS   4          2HB       LYS   4  10.772   0.273  -4.687
   31    HB3  LYS   4          3HB       LYS   4   9.728  -0.588  -5.811
   32    HG2  LYS   4          2HG       LYS   4  11.188   0.431  -7.651
   33    HG3  LYS   4          3HG       LYS   4  12.325   0.803  -6.353
   34    HD2  LYS   4          2HD       LYS   4  11.221  -1.964  -6.700
   35    HD3  LYS   4          3HD       LYS   4  12.606  -1.412  -7.643
   36    HE2  LYS   4          2HE       LYS   4  13.840  -0.942  -5.613
   37    HE3  LYS   4          3HE       LYS   4  12.440  -1.372  -4.631
   38    HZ1  LYS   4          1HZ       LYS   4  13.813  -3.247  -4.612
   39    HZ2  LYS   4          2HZ       LYS   4  14.142  -3.153  -6.268
   40    HZ3  LYS   4          3HZ       LYS   4  12.608  -3.628  -5.737
   41    H    ILE   5           H        ILE   5   7.429   0.179  -5.543
   42    HA   ILE   5           HA       ILE   5   6.669  -0.150  -8.266
   43    HB   ILE   5           HB       ILE   5   4.566  -1.083  -7.359
   44   HG12  ILE   5          2HG1      ILE   5   4.835  -1.393  -4.704
   45   HG13  ILE   5          3HG1      ILE   5   5.623   0.171  -4.882
   46   HG21  ILE   5          1HG2      ILE   5   7.063  -2.081  -5.996
   47   HG22  ILE   5          2HG2      ILE   5   5.577  -2.999  -6.230
   48   HG23  ILE   5          3HG2      ILE   5   6.533  -2.500  -7.625
   49   HD11  ILE   5          1HD1      ILE   5   2.787  -0.573  -5.190
   50   HD12  ILE   5          2HD1      ILE   5   3.518   0.904  -4.560
   51   HD13  ILE   5          3HD1      ILE   5   3.414   0.644  -6.302
   52    H    LEU   6           H        LEU   6   5.793   2.106  -5.728
   53    HA   LEU   6           HA       LEU   6   3.537   3.223  -7.044
   54    HB2  LEU   6          2HB       LEU   6   3.945   3.406  -4.622
   55    HB3  LEU   6          3HB       LEU   6   5.326   4.450  -4.951
   56    HG   LEU   6           HG       LEU   6   3.169   5.570  -4.203
   57   HD11  LEU   6          1HD1      LEU   6   4.096   6.603  -6.854
   58   HD12  LEU   6          2HD1      LEU   6   5.183   6.581  -5.466
   59   HD13  LEU   6          3HD1      LEU   6   3.676   7.494  -5.391
   60   HD21  LEU   6          1HD2      LEU   6   1.647   4.255  -5.599
   61   HD22  LEU   6          2HD2      LEU   6   2.383   4.940  -7.047
   62   HD23  LEU   6          3HD2      LEU   6   1.502   5.982  -5.928
   63    H    ARG   7           H        ARG   7   6.883   4.386  -6.651
   64    HA   ARG   7           HA       ARG   7   6.706   6.707  -8.138
   65    HB2  ARG   7          2HB       ARG   7   8.687   5.684  -6.784
   66    HB3  ARG   7          3HB       ARG   7   9.143   4.969  -8.325
   67    HG2  ARG   7          2HG       ARG   7  10.378   6.952  -8.167
   68    HG3  ARG   7          3HG       ARG   7   9.054   7.318  -9.275
   69    HD2  ARG   7          2HD       ARG   7   7.831   8.425  -7.513
   70    HD3  ARG   7          3HD       ARG   7   9.052   7.959  -6.330
   71    HE   ARG   7           HE       ARG   7  10.166   9.479  -8.468
   72   HH11  ARG   7          1HH1      ARG   7   8.366   9.727  -5.499
   73   HH12  ARG   7          2HH1      ARG   7   8.889  11.344  -5.164
   74   HH21  ARG   7          1HH2      ARG   7  10.863  11.608  -8.038
   75   HH22  ARG   7          2HH2      ARG   7  10.309  12.414  -6.609
   76    H    LYS   8           H        LYS   8   7.459   3.428  -9.274
   77    HA   LYS   8           HA       LYS   8   7.986   3.942 -11.929
   78    HB2  LYS   8          2HB       LYS   8   6.792   1.617 -10.481
   79    HB3  LYS   8          3HB       LYS   8   6.776   1.613 -12.239
   80    HG2  LYS   8          2HG       LYS   8   9.274   2.062 -12.109
   81    HG3  LYS   8          3HG       LYS   8   9.144   1.649 -10.397
   82    HD2  LYS   8          2HD       LYS   8   8.076  -0.184 -12.518
   83    HD3  LYS   8          3HD       LYS   8   9.783  -0.207 -12.069
   84    HE2  LYS   8          2HE       LYS   8   7.550  -0.483 -10.070
   85    HE3  LYS   8          3HE       LYS   8   8.296  -1.864 -10.873
   86    HZ1  LYS   8          1HZ       LYS   8   9.659   0.106  -9.119
   87    HZ2  LYS   8          2HZ       LYS   8  10.446  -1.128  -9.966
   88    HZ3  LYS   8          3HZ       LYS   8   9.331  -1.513  -8.754
   89    H    ILE   9           H        ILE   9   4.835   3.522 -10.365
   90    HA   ILE   9           HA       ILE   9   3.271   3.654 -12.703
   91    HB   ILE   9           HB       ILE   9   2.511   4.460  -9.893
   92   HG12  ILE   9          2HG1      ILE   9   1.884   1.851 -11.262
   93   HG13  ILE   9          3HG1      ILE   9   3.368   2.074 -10.342
   94   HG21  ILE   9          1HG2      ILE   9   0.907   4.004 -12.385
   95   HG22  ILE   9          2HG2      ILE   9   0.194   3.822 -10.783
   96   HG23  ILE   9          3HG2      ILE   9   0.867   5.375 -11.277
   97   HD11  ILE   9          1HD1      ILE   9   0.778   2.748  -9.052
   98   HD12  ILE   9          2HD1      ILE   9   1.228   1.052  -9.239
   99   HD13  ILE   9          3HD1      ILE   9   2.276   2.149  -8.340
  100    H    VAL  10           H        VAL  10   4.387   6.156 -10.462
  101    HA   VAL  10           HA       VAL  10   2.959   8.316 -11.518
  102    HB   VAL  10           HB       VAL  10   5.721   8.416 -10.299
  103   HG11  VAL  10          1HG1      VAL  10   5.241  10.690  -9.763
  104   HG12  VAL  10          2HG1      VAL  10   4.902  10.467 -11.481
  105   HG13  VAL  10          3HG1      VAL  10   3.575  10.530 -10.321
  106   HG21  VAL  10          1HG2      VAL  10   4.394   8.952  -8.196
  107   HG22  VAL  10          2HG2      VAL  10   2.990   8.304  -9.045
  108   HG23  VAL  10          3HG2      VAL  10   4.385   7.272  -8.733
  109    H    ARG  11           H        ARG  11   6.273   7.230 -12.252
  110    HA   ARG  11           HA       ARG  11   6.927   9.130 -14.154
  111    HB2  ARG  11          2HB       ARG  11   8.302   7.150 -13.112
  112    HB3  ARG  11          3HB       ARG  11   7.769   6.285 -14.547
  113    HG2  ARG  11          2HG       ARG  11   9.847   7.141 -15.139
  114    HG3  ARG  11          3HG       ARG  11   8.701   8.271 -15.863
  115    HD2  ARG  11          2HD       ARG  11   8.973   9.676 -13.776
  116    HD3  ARG  11          3HD       ARG  11  10.327   8.627 -13.357
  117    HE   ARG  11           HE       ARG  11  10.924   9.434 -15.868
  118   HH11  ARG  11          1HH1      ARG  11  10.057  11.126 -12.952
  119   HH12  ARG  11          2HH1      ARG  11  10.972  12.543 -13.346
  120   HH21  ARG  11          1HH2      ARG  11  12.134  11.294 -16.399
  121   HH22  ARG  11          2HH2      ARG  11  12.152  12.638 -15.308
  122    H    ALA  12           H        ALA  12   5.486   5.919 -14.720
  123    HA   ALA  12           HA       ALA  12   5.175   6.166 -17.487
  124    HB1  ALA  12          1HB       ALA  12   3.219   4.626 -15.829
  125    HB2  ALA  12          2HB       ALA  12   3.915   4.226 -17.400
  126    HB3  ALA  12          3HB       ALA  12   4.900   4.106 -15.942
  127    H    LEU  13           H        LEU  13   2.887   6.883 -14.861
  128    HA   LEU  13           HA       LEU  13   0.706   7.633 -16.415
  129    HB2  LEU  13          2HB       LEU  13   1.634   8.236 -13.661
  130    HB3  LEU  13          3HB       LEU  13   0.350   9.242 -14.329
  131    HG   LEU  13           HG       LEU  13   0.173   6.239 -14.211
  132   HD11  LEU  13          1HD1      LEU  13  -0.927   6.352 -12.151
  133   HD12  LEU  13          2HD1      LEU  13  -1.096   8.105 -12.235
  134   HD13  LEU  13          3HD1      LEU  13   0.489   7.386 -11.951
  135   HD21  LEU  13          1HD2      LEU  13  -2.199   6.636 -14.480
  136   HD22  LEU  13          2HD2      LEU  13  -1.308   7.408 -15.792
  137   HD23  LEU  13          3HD2      LEU  13  -1.936   8.380 -14.460
  Start of MODEL    2
    1    H1   PHE   1           H        PHE   1   1.749  -0.184   1.126
    2    HA   PHE   1           HA       PHE   1   2.267  -1.257  -1.246
    3    HB2  PHE   1          2HB       PHE   1   2.032   0.421  -2.993
    4    HB3  PHE   1          3HB       PHE   1   0.468   0.114  -2.247
    5    HD1  PHE   1           HD1      PHE   1  -0.727   1.831  -1.151
    6    HD2  PHE   1           HD2      PHE   1   3.277   2.497  -2.434
    7    HE1  PHE   1           HE1      PHE   1  -0.989   4.237  -0.710
    8    HE2  PHE   1           HE2      PHE   1   3.021   4.904  -1.994
    9    HZ   PHE   1           HZ       PHE   1   0.886   5.777  -1.130
   10    H    LEU   2           H        LEU   2   4.181  -0.267  -2.454
   11    HA   LEU   2           HA       LEU   2   5.871   1.170  -0.515
   12    HB2  LEU   2          2HB       LEU   2   6.456  -1.023  -2.458
   13    HB3  LEU   2          3HB       LEU   2   7.739   0.082  -1.969
   14    HG   LEU   2           HG       LEU   2   7.808  -1.979  -0.676
   15   HD11  LEU   2          1HD1      LEU   2   6.877   0.349   0.998
   16   HD12  LEU   2          2HD1      LEU   2   8.508   0.138   0.362
   17   HD13  LEU   2          3HD1      LEU   2   7.866  -1.008   1.538
   18   HD21  LEU   2          1HD2      LEU   2   5.147  -1.240   0.506
   19   HD22  LEU   2          2HD2      LEU   2   6.049  -2.746   0.677
   20   HD23  LEU   2          3HD2      LEU   2   5.293  -2.341  -0.864
   21    HA   PRO   3           HA       PRO   3   6.525   4.432  -3.376
   22    HB2  PRO   3          2HB       PRO   3   9.123   5.069  -2.911
   23    HB3  PRO   3          3HB       PRO   3   7.824   5.438  -1.770
   24    HG2  PRO   3          2HG       PRO   3   9.780   3.171  -1.746
   25    HG3  PRO   3          3HG       PRO   3   9.223   4.183  -0.400
   26    HD2  PRO   3          2HD       PRO   3   8.248   1.698  -0.856
   27    HD3  PRO   3          3HD       PRO   3   7.261   2.998  -0.156
   28    H    LYS   4           H        LYS   4   8.934   1.846  -3.408
   29    HA   LYS   4           HA       LYS   4  10.182   2.477  -5.835
   30    HB2  LYS   4          2HB       LYS   4  10.679   0.652  -3.966
   31    HB3  LYS   4          3HB       LYS   4   9.804  -0.384  -5.085
   32    HG2  LYS   4          2HG       LYS   4  11.418   0.493  -6.866
   33    HG3  LYS   4          3HG       LYS   4  12.386   1.075  -5.509
   34    HD2  LYS   4          2HD       LYS   4  12.213  -1.316  -4.606
   35    HD3  LYS   4          3HD       LYS   4  11.660  -1.752  -6.225
   36    HE2  LYS   4          2HE       LYS   4  13.768  -0.571  -7.063
   37    HE3  LYS   4          3HE       LYS   4  14.317  -0.625  -5.388
   38    HZ1  LYS   4          1HZ       LYS   4  14.257  -2.980  -5.406
   39    HZ2  LYS   4          2HZ       LYS   4  15.076  -2.509  -6.809
   40    HZ3  LYS   4          3HZ       LYS   4  13.469  -3.030  -6.903
   41    H    ILE   5           H        ILE   5   7.425   0.339  -5.158
   42    HA   ILE   5           HA       ILE   5   7.004  -0.228  -7.950
   43    HB   ILE   5           HB       ILE   5   4.927  -1.362  -7.156
   44   HG12  ILE   5          2HG1      ILE   5   5.945  -0.795  -4.373
   45   HG13  ILE   5          3HG1      ILE   5   4.707   0.193  -5.141
   46   HG21  ILE   5          1HG2      ILE   5   7.389  -2.178  -5.622
   47   HG22  ILE   5          2HG2      ILE   5   6.062  -3.214  -6.146
   48   HG23  ILE   5          3HG2      ILE   5   7.139  -2.491  -7.340
   49   HD11  ILE   5          1HD1      ILE   5   4.559  -2.588  -4.122
   50   HD12  ILE   5          2HD1      ILE   5   3.404  -1.263  -3.979
   51   HD13  ILE   5          3HD1      ILE   5   3.552  -2.143  -5.499
   52    H    LEU   6           H        LEU   6   5.765   2.015  -5.584
   53    HA   LEU   6           HA       LEU   6   3.433   2.795  -6.999
   54    HB2  LEU   6          2HB       LEU   6   3.774   3.195  -4.596
   55    HB3  LEU   6          3HB       LEU   6   5.053   4.345  -4.982
   56    HG   LEU   6           HG       LEU   6   2.768   5.282  -4.343
   57   HD11  LEU   6          1HD1      LEU   6   3.683   6.249  -7.022
   58   HD12  LEU   6          2HD1      LEU   6   4.714   6.417  -5.602
   59   HD13  LEU   6          3HD1      LEU   6   3.122   7.176  -5.631
   60   HD21  LEU   6          1HD2      LEU   6   1.124   5.426  -6.128
   61   HD22  LEU   6          2HD2      LEU   6   1.432   3.742  -5.704
   62   HD23  LEU   6          3HD2      LEU   6   2.141   4.427  -7.167
   63    H    ARG   7           H        ARG   7   6.682   4.220  -6.752
   64    HA   ARG   7           HA       ARG   7   6.336   6.469  -8.301
   65    HB2  ARG   7          2HB       ARG   7   8.427   5.608  -7.040
   66    HB3  ARG   7          3HB       ARG   7   8.816   4.792  -8.548
   67    HG2  ARG   7          2HG       ARG   7  10.000   6.806  -8.618
   68    HG3  ARG   7          3HG       ARG   7   8.598   7.068  -9.656
   69    HD2  ARG   7          2HD       ARG   7   7.527   8.409  -8.067
   70    HD3  ARG   7          3HD       ARG   7   8.557   7.832  -6.757
   71    HE   ARG   7           HE       ARG   7   9.130   9.958  -8.610
   72   HH11  ARG   7          1HH1      ARG   7  10.480   7.608  -6.425
   73   HH12  ARG   7          2HH1      ARG   7  11.947   8.494  -6.172
   74   HH21  ARG   7          1HH2      ARG   7  11.058  11.133  -8.285
   75   HH22  ARG   7          2HH2      ARG   7  12.274  10.499  -7.230
   76    H    LYS   8           H        LYS   8   6.829   3.142  -9.339
   77    HA   LYS   8           HA       LYS   8   7.380   3.458 -12.013
   78    HB2  LYS   8          2HB       LYS   8   5.626   1.395 -10.673
   79    HB3  LYS   8          3HB       LYS   8   6.172   1.281 -12.341
   80    HG2  LYS   8          2HG       LYS   8   8.206   1.649 -10.204
   81    HG3  LYS   8          3HG       LYS   8   7.450   0.066 -10.398
   82    HD2  LYS   8          2HD       LYS   8   9.315  -0.084 -11.771
   83    HD3  LYS   8          3HD       LYS   8   8.035   0.360 -12.903
   84    HE2  LYS   8          2HE       LYS   8   8.794   2.552 -13.088
   85    HE3  LYS   8          3HE       LYS   8   9.704   2.466 -11.581
   86    HZ1  LYS   8          1HZ       LYS   8  10.435   0.805 -13.911
   87    HZ2  LYS   8          2HZ       LYS   8  11.388   1.238 -12.583
   88    HZ3  LYS   8          3HZ       LYS   8  10.999   2.393 -13.756
   89    H    ILE   9           H        ILE   9   4.187   3.445 -10.459
   90    HA   ILE   9           HA       ILE   9   2.714   3.806 -12.852
   91    HB   ILE   9           HB       ILE   9   1.950   4.458 -10.004
   92   HG12  ILE   9          2HG1      ILE   9   0.516   2.293 -10.558
   93   HG13  ILE   9          3HG1      ILE   9   1.826   2.003 -11.698
   94   HG21  ILE   9          1HG2      ILE   9   0.470   5.705 -11.309
   95   HG22  ILE   9          2HG2      ILE   9   0.379   4.464 -12.557
   96   HG23  ILE   9          3HG2      ILE   9  -0.401   4.204 -10.997
   97   HD11  ILE   9          1HD1      ILE   9   1.880   1.078  -9.228
   98   HD12  ILE   9          2HD1      ILE   9   3.344   1.605 -10.058
   99   HD13  ILE   9          3HD1      ILE   9   2.550   2.677  -8.905
  100    H    VAL  10           H        VAL  10   4.060   6.041 -10.477
  101    HA   VAL  10           HA       VAL  10   2.836   8.391 -11.427
  102    HB   VAL  10           HB       VAL  10   5.534   8.152 -10.089
  103   HG11  VAL  10          1HG1      VAL  10   4.847  10.465  -9.250
  104   HG12  VAL  10          2HG1      VAL  10   5.361  10.333 -10.933
  105   HG13  VAL  10          3HG1      VAL  10   3.645  10.442 -10.540
  106   HG21  VAL  10          1HG2      VAL  10   4.405   8.393  -7.991
  107   HG22  VAL  10          2HG2      VAL  10   2.849   8.601  -8.794
  108   HG23  VAL  10          3HG2      VAL  10   3.670   7.042  -8.855
  109    H    ARG  11           H        ARG  11   6.068   7.044 -12.093
  110    HA   ARG  11           HA       ARG  11   6.978   8.979 -13.848
  111    HB2  ARG  11          2HB       ARG  11   8.159   6.876 -12.876
  112    HB3  ARG  11          3HB       ARG  11   7.558   6.073 -14.321
  113    HG2  ARG  11          2HG       ARG  11   9.717   6.740 -14.882
  114    HG3  ARG  11          3HG       ARG  11   8.680   7.961 -15.623
  115    HD2  ARG  11          2HD       ARG  11   9.075   9.435 -13.690
  116    HD3  ARG  11          3HD       ARG  11  10.152   8.220 -13.002
  117    HE   ARG  11           HE       ARG  11  10.878   9.057 -15.658
  118   HH11  ARG  11          1HH1      ARG  11  11.192   9.709 -12.253
  119   HH12  ARG  11          2HH1      ARG  11  12.686  10.569 -12.422
  120   HH21  ARG  11          1HH2      ARG  11  12.845  10.188 -15.894
  121   HH22  ARG  11          2HH2      ARG  11  13.625  10.842 -14.494
  122    H    ALA  12           H        ALA  12   5.282   5.953 -14.666
  123    HA   ALA  12           HA       ALA  12   5.119   6.388 -17.424
  124    HB1  ALA  12          1HB       ALA  12   2.960   4.938 -15.948
  125    HB2  ALA  12          2HB       ALA  12   3.696   4.565 -17.508
  126    HB3  ALA  12          3HB       ALA  12   4.593   4.275 -16.017
  127    H    LEU  13           H        LEU  13   2.788   7.155 -14.850
  128    HA   LEU  13           HA       LEU  13   0.754   8.188 -16.441
  129    HB2  LEU  13          2HB       LEU  13   1.606   8.544 -13.620
  130    HB3  LEU  13          3HB       LEU  13   0.446   9.698 -14.274
  131    HG   LEU  13           HG       LEU  13   0.002   6.721 -14.350
  132   HD11  LEU  13          1HD1      LEU  13  -1.182   8.580 -12.313
  133   HD12  LEU  13          2HD1      LEU  13   0.314   7.696 -12.013
  134   HD13  LEU  13          3HD1      LEU  13  -1.180   6.816 -12.333
  135   HD21  LEU  13          1HD2      LEU  13  -1.307   8.074 -15.915
  136   HD22  LEU  13          2HD2      LEU  13  -1.876   9.072 -14.577
  137   HD23  LEU  13          3HD2      LEU  13  -2.324   7.367 -14.660
  Start of MODEL    3
    1    H1   PHE   1           H        PHE   1   1.262   0.499   0.618
    2    HA   PHE   1           HA       PHE   1   2.108  -1.309  -1.522
    3    HB2  PHE   1          2HB       PHE   1   2.056   0.464  -3.189
    4    HB3  PHE   1          3HB       PHE   1   0.450   0.243  -2.505
    5    HD1  PHE   1           HD1      PHE   1  -0.646   1.991  -1.355
    6    HD2  PHE   1           HD2      PHE   1   3.433   2.410  -2.495
    7    HE1  PHE   1           HE1      PHE   1  -0.741   4.386  -0.802
    8    HE2  PHE   1           HE2      PHE   1   3.345   4.806  -1.943
    9    HZ   PHE   1           HZ       PHE   1   1.256   5.797  -1.095
   10    H    LEU   2           H        LEU   2   4.140  -0.458  -2.602
   11    HA   LEU   2           HA       LEU   2   5.877   0.718  -0.538
   12    HB2  LEU   2          2HB       LEU   2   6.340  -1.315  -2.678
   13    HB3  LEU   2          3HB       LEU   2   7.690  -0.358  -2.073
   14    HG   LEU   2           HG       LEU   2   7.591  -2.532  -0.983
   15   HD11  LEU   2          1HD1      LEU   2   7.682  -1.782   1.314
   16   HD12  LEU   2          2HD1      LEU   2   6.798  -0.313   0.898
   17   HD13  LEU   2          3HD1      LEU   2   8.421  -0.576   0.259
   18   HD21  LEU   2          1HD2      LEU   2   5.760  -3.293   0.276
   19   HD22  LEU   2          2HD2      LEU   2   5.062  -2.696  -1.230
   20   HD23  LEU   2          3HD2      LEU   2   4.968  -1.718   0.235
   21    HA   PRO   3           HA       PRO   3   6.800   4.189  -3.061
   22    HB2  PRO   3          2HB       PRO   3   9.418   4.610  -2.480
   23    HB3  PRO   3          3HB       PRO   3   8.113   4.953  -1.338
   24    HG2  PRO   3          2HG       PRO   3   9.923   2.573  -1.487
   25    HG3  PRO   3          3HG       PRO   3   9.392   3.488  -0.063
   26    HD2  PRO   3          2HD       PRO   3   8.278   1.125  -0.774
   27    HD3  PRO   3          3HD       PRO   3   7.355   2.415   0.024
   28    H    LYS   4           H        LYS   4   9.085   1.493  -3.272
   29    HA   LYS   4           HA       LYS   4  10.425   2.258  -5.601
   30    HB2  LYS   4          2HB       LYS   4  10.750   0.235  -3.906
   31    HB3  LYS   4          3HB       LYS   4   9.846  -0.630  -5.142
   32    HG2  LYS   4          2HG       LYS   4  11.566   0.305  -6.789
   33    HG3  LYS   4          3HG       LYS   4  12.526   0.692  -5.359
   34    HD2  LYS   4          2HD       LYS   4  11.415  -2.062  -5.780
   35    HD3  LYS   4          3HD       LYS   4  12.928  -1.564  -6.541
   36    HE2  LYS   4          2HE       LYS   4  12.420  -1.300  -3.587
   37    HE3  LYS   4          3HE       LYS   4  13.122  -2.747  -4.308
   38    HZ1  LYS   4          1HZ       LYS   4  14.873  -1.283  -5.254
   39    HZ2  LYS   4          2HZ       LYS   4  14.887  -1.366  -3.565
   40    HZ3  LYS   4          3HZ       LYS   4  14.249  -0.004  -4.339
   41    H    ILE   5           H        ILE   5   7.522   0.246  -5.203
   42    HA   ILE   5           HA       ILE   5   7.152  -0.031  -8.044
   43    HB   ILE   5           HB       ILE   5   4.980  -1.084  -7.414
   44   HG12  ILE   5          2HG1      ILE   5   5.939  -0.829  -4.564
   45   HG13  ILE   5          3HG1      ILE   5   4.786   0.295  -5.276
   46   HG21  ILE   5          1HG2      ILE   5   6.068  -3.018  -6.163
   47   HG22  ILE   5          2HG2      ILE   5   6.780  -2.561  -7.709
   48   HG23  ILE   5          3HG2      ILE   5   7.548  -2.061  -6.202
   49   HD11  ILE   5          1HD1      ILE   5   4.442  -2.548  -4.507
   50   HD12  ILE   5          2HD1      ILE   5   3.363  -1.171  -4.282
   51   HD13  ILE   5          3HD1      ILE   5   3.509  -1.927  -5.868
   52    H    LEU   6           H        LEU   6   5.985   2.069  -5.515
   53    HA   LEU   6           HA       LEU   6   3.754   3.132  -6.896
   54    HB2  LEU   6          2HB       LEU   6   4.095   3.315  -4.462
   55    HB3  LEU   6          3HB       LEU   6   5.443   4.413  -4.752
   56    HG   LEU   6           HG       LEU   6   3.219   5.440  -4.054
   57   HD11  LEU   6          1HD1      LEU   6   3.687   7.394  -5.211
   58   HD12  LEU   6          2HD1      LEU   6   4.197   6.533  -6.663
   59   HD13  LEU   6          3HD1      LEU   6   5.231   6.543  -5.234
   60   HD21  LEU   6          1HD2      LEU   6   2.549   4.819  -6.929
   61   HD22  LEU   6          2HD2      LEU   6   1.592   5.807  -5.825
   62   HD23  LEU   6          3HD2      LEU   6   1.795   4.082  -5.515
   63    H    ARG   7           H        ARG   7   7.064   4.368  -6.445
   64    HA   ARG   7           HA       ARG   7   6.871   6.716  -7.873
   65    HB2  ARG   7          2HB       ARG   7   8.873   5.598  -6.578
   66    HB3  ARG   7          3HB       ARG   7   9.324   5.032  -8.181
   67    HG2  ARG   7          2HG       ARG   7  10.522   7.019  -7.857
   68    HG3  ARG   7          3HG       ARG   7   9.181   7.453  -8.919
   69    HD2  ARG   7          2HD       ARG   7   7.948   8.364  -7.046
   70    HD3  ARG   7          3HD       ARG   7   9.208   7.841  -5.929
   71    HE   ARG   7           HE       ARG   7  10.474   9.656  -6.546
   72   HH11  ARG   7          1HH1      ARG   7   7.825   9.268  -8.772
   73   HH12  ARG   7          2HH1      ARG   7   8.093  10.789  -9.558
   74   HH21  ARG   7          1HH2      ARG   7  10.837  11.660  -7.574
   75   HH22  ARG   7          2HH2      ARG   7   9.807  12.148  -8.877
   76    H    LYS   8           H        LYS   8   7.592   3.468  -9.108
   77    HA   LYS   8           HA       LYS   8   8.117   4.044 -11.749
   78    HB2  LYS   8          2HB       LYS   8   8.069   1.774 -10.478
   79    HB3  LYS   8          3HB       LYS   8   6.398   1.693 -11.020
   80    HG2  LYS   8          2HG       LYS   8   7.105   1.810 -13.330
   81    HG3  LYS   8          3HG       LYS   8   8.787   1.999 -12.828
   82    HD2  LYS   8          2HD       LYS   8   8.630  -0.266 -13.349
   83    HD3  LYS   8          3HD       LYS   8   8.442  -0.238 -11.594
   84    HE2  LYS   8          2HE       LYS   8   6.074  -0.486 -11.775
   85    HE3  LYS   8          3HE       LYS   8   6.126  -0.247 -13.521
   86    HZ1  LYS   8          1HZ       LYS   8   5.943  -2.623 -12.575
   87    HZ2  LYS   8          2HZ       LYS   8   7.605  -2.479 -12.299
   88    HZ3  LYS   8          3HZ       LYS   8   6.994  -2.336 -13.869
   89    H    ILE   9           H        ILE   9   4.961   3.631 -10.192
   90    HA   ILE   9           HA       ILE   9   3.395   3.859 -12.518
   91    HB   ILE   9           HB       ILE   9   2.613   4.667  -9.716
   92   HG12  ILE   9          2HG1      ILE   9   3.482   2.371  -9.775
   93   HG13  ILE   9          3HG1      ILE   9   1.745   2.380  -9.492
   94   HG21  ILE   9          1HG2      ILE   9   1.124   5.428 -11.561
   95   HG22  ILE   9          2HG2      ILE   9   0.880   3.738 -11.999
   96   HG23  ILE   9          3HG2      ILE   9   0.349   4.326 -10.424
   97   HD11  ILE   9          1HD1      ILE   9   1.326   1.763 -11.777
   98   HD12  ILE   9          2HD1      ILE   9   3.044   1.882 -12.158
   99   HD13  ILE   9          3HD1      ILE   9   2.470   0.629 -11.059
  100    H    VAL  10           H        VAL  10   4.562   6.280 -10.216
  101    HA   VAL  10           HA       VAL  10   3.174   8.495 -11.203
  102    HB   VAL  10           HB       VAL  10   5.951   8.507 -10.013
  103   HG11  VAL  10          1HG1      VAL  10   5.518  10.776  -9.411
  104   HG12  VAL  10          2HG1      VAL  10   5.167  10.605 -11.131
  105   HG13  VAL  10          3HG1      VAL  10   3.848  10.664  -9.962
  106   HG21  VAL  10          1HG2      VAL  10   4.615   7.352  -8.460
  107   HG22  VAL  10          2HG2      VAL  10   4.653   9.018  -7.882
  108   HG23  VAL  10          3HG2      VAL  10   3.233   8.412  -8.734
  109    H    ARG  11           H        ARG  11   6.456   7.361 -12.004
  110    HA   ARG  11           HA       ARG  11   7.129   9.297 -13.862
  111    HB2  ARG  11          2HB       ARG  11   8.613   7.474 -12.939
  112    HB3  ARG  11          3HB       ARG  11   7.866   6.379 -14.095
  113    HG2  ARG  11          2HG       ARG  11   9.838   7.043 -15.131
  114    HG3  ARG  11          3HG       ARG  11   8.603   8.057 -15.879
  115    HD2  ARG  11          2HD       ARG  11   9.203   9.776 -14.072
  116    HD3  ARG  11          3HD       ARG  11  10.647   8.799 -13.811
  117    HE   ARG  11           HE       ARG  11  10.633   9.244 -16.493
  118   HH11  ARG  11          1HH1      ARG  11  10.485  11.295 -13.684
  119   HH12  ARG  11          2HH1      ARG  11  11.281  12.628 -14.454
  120   HH21  ARG  11          1HH2      ARG  11  11.681  10.991 -17.518
  121   HH22  ARG  11          2HH2      ARG  11  11.960  12.454 -16.636
  122    H    ALA  12           H        ALA  12   5.613   6.133 -14.496
  123    HA   ALA  12           HA       ALA  12   5.276   6.462 -17.252
  124    HB1  ALA  12          1HB       ALA  12   5.035   4.330 -15.944
  125    HB2  ALA  12          2HB       ALA  12   3.433   4.891 -15.464
  126    HB3  ALA  12          3HB       ALA  12   3.794   4.608 -17.167
  127    H    LEU  13           H        LEU  13   3.034   7.154 -14.580
  128    HA   LEU  13           HA       LEU  13   0.850   7.989 -16.086
  129    HB2  LEU  13          2HB       LEU  13   1.825   8.504 -13.330
  130    HB3  LEU  13          3HB       LEU  13   0.552   9.550 -13.956
  131    HG   LEU  13           HG       LEU  13   0.319   6.549 -13.910
  132   HD11  LEU  13          1HD1      LEU  13   0.685   7.621 -11.627
  133   HD12  LEU  13          2HD1      LEU  13  -0.762   6.636 -11.835
  134   HD13  LEU  13          3HD1      LEU  13  -0.881   8.395 -11.871
  135   HD21  LEU  13          1HD2      LEU  13  -1.184   7.662 -15.439
  136   HD22  LEU  13          2HD2      LEU  13  -1.686   8.786 -14.176
  137   HD23  LEU  13          3HD2      LEU  13  -2.088   7.073 -14.044
  Start of MODEL    4
    1    H1   PHE   1           H        PHE   1   1.056  -0.196   0.609
    2    HA   PHE   1           HA       PHE   1   1.973  -1.596  -1.809
    3    HB2  PHE   1          2HB       PHE   1   1.796   0.453  -3.101
    4    HB3  PHE   1          3HB       PHE   1   0.229   0.065  -2.397
    5    HD1  PHE   1           HD1      PHE   1  -0.831   1.531  -0.875
    6    HD2  PHE   1           HD2      PHE   1   3.169   2.273  -2.128
    7    HE1  PHE   1           HE1      PHE   1  -0.938   3.777   0.125
    8    HE2  PHE   1           HE2      PHE   1   3.069   4.519  -1.128
    9    HZ   PHE   1           HZ       PHE   1   1.014   5.273   0.001
   10    H    LEU   2           H        LEU   2   3.919  -0.423  -2.787
   11    HA   LEU   2           HA       LEU   2   5.666   0.543  -0.619
   12    HB2  LEU   2          2HB       LEU   2   6.170  -1.422  -2.812
   13    HB3  LEU   2          3HB       LEU   2   7.505  -0.474  -2.159
   14    HG   LEU   2           HG       LEU   2   7.409  -2.679  -1.137
   15   HD11  LEU   2          1HD1      LEU   2   8.205  -0.762   0.180
   16   HD12  LEU   2          2HD1      LEU   2   7.453  -2.000   1.185
   17   HD13  LEU   2          3HD1      LEU   2   6.569  -0.524   0.796
   18   HD21  LEU   2          1HD2      LEU   2   5.571  -3.523   0.023
   19   HD22  LEU   2          2HD2      LEU   2   4.862  -2.811  -1.427
   20   HD23  LEU   2          3HD2      LEU   2   4.782  -1.948   0.110
   21    HA   PRO   3           HA       PRO   3   6.619   4.084  -3.028
   22    HB2  PRO   3          2HB       PRO   3   9.248   4.462  -2.464
   23    HB3  PRO   3          3HB       PRO   3   7.959   4.776  -1.295
   24    HG2  PRO   3          2HG       PRO   3   9.745   2.387  -1.549
   25    HG3  PRO   3          3HG       PRO   3   9.240   3.256  -0.088
   26    HD2  PRO   3          2HD       PRO   3   8.096   0.929  -0.869
   27    HD3  PRO   3          3HD       PRO   3   7.193   2.197  -0.015
   28    H    LYS   4           H        LYS   4   8.805   1.334  -3.386
   29    HA   LYS   4           HA       LYS   4  10.135   2.191  -5.709
   30    HB2  LYS   4          2HB       LYS   4   9.571  -0.560  -4.607
   31    HB3  LYS   4          3HB       LYS   4  10.541  -0.297  -6.050
   32    HG2  LYS   4          2HG       LYS   4  11.198   1.018  -3.435
   33    HG3  LYS   4          3HG       LYS   4  11.774  -0.599  -3.849
   34    HD2  LYS   4          2HD       LYS   4  12.195   1.718  -5.707
   35    HD3  LYS   4          3HD       LYS   4  13.295   1.421  -4.358
   36    HE2  LYS   4          2HE       LYS   4  13.967  -0.652  -5.220
   37    HE3  LYS   4          3HE       LYS   4  12.590  -0.742  -6.317
   38    HZ1  LYS   4          1HZ       LYS   4  13.522   0.951  -7.674
   39    HZ2  LYS   4          2HZ       LYS   4  14.741  -0.188  -7.399
   40    HZ3  LYS   4          3HZ       LYS   4  14.749   1.279  -6.556
   41    H    ILE   5           H        ILE   5   7.256   0.146  -5.299
   42    HA   ILE   5           HA       ILE   5   6.826  -0.098  -8.126
   43    HB   ILE   5           HB       ILE   5   4.647  -1.113  -7.469
   44   HG12  ILE   5          2HG1      ILE   5   5.634  -0.855  -4.629
   45   HG13  ILE   5          3HG1      ILE   5   4.492   0.281  -5.339
   46   HG21  ILE   5          1HG2      ILE   5   5.617  -3.118  -6.466
   47   HG22  ILE   5          2HG2      ILE   5   6.650  -2.478  -7.742
   48   HG23  ILE   5          3HG2      ILE   5   7.071  -2.211  -6.050
   49   HD11  ILE   5          1HD1      ILE   5   3.029  -1.140  -4.361
   50   HD12  ILE   5          2HD1      ILE   5   3.208  -1.968  -5.908
   51   HD13  ILE   5          3HD1      ILE   5   4.109  -2.528  -4.499
   52    H    LEU   6           H        LEU   6   5.735   2.029  -5.586
   53    HA   LEU   6           HA       LEU   6   3.527   3.141  -6.992
   54    HB2  LEU   6          2HB       LEU   6   3.450   3.424  -4.684
   55    HB3  LEU   6          3HB       LEU   6   5.129   3.953  -4.598
   56    HG   LEU   6           HG       LEU   6   4.508   6.099  -5.591
   57   HD11  LEU   6          1HD1      LEU   6   1.989   6.575  -5.659
   58   HD12  LEU   6          2HD1      LEU   6   1.799   4.823  -5.724
   59   HD13  LEU   6          3HD1      LEU   6   2.697   5.660  -6.990
   60   HD21  LEU   6          1HD2      LEU   6   4.514   6.141  -3.252
   61   HD22  LEU   6          2HD2      LEU   6   3.038   5.182  -3.140
   62   HD23  LEU   6          3HD2      LEU   6   2.963   6.854  -3.698
   63    H    ARG   7           H        ARG   7   6.823   4.343  -6.369
   64    HA   ARG   7           HA       ARG   7   6.703   6.723  -7.752
   65    HB2  ARG   7          2HB       ARG   7   8.638   5.589  -6.387
   66    HB3  ARG   7          3HB       ARG   7   9.159   5.026  -7.970
   67    HG2  ARG   7          2HG       ARG   7  10.357   7.000  -7.589
   68    HG3  ARG   7          3HG       ARG   7   9.064   7.454  -8.701
   69    HD2  ARG   7          2HD       ARG   7   7.765   8.362  -6.871
   70    HD3  ARG   7          3HD       ARG   7   8.977   7.821  -5.709
   71    HE   ARG   7           HE       ARG   7  10.034   9.579  -7.714
   72   HH11  ARG   7          1HH1      ARG   7   8.383   9.415  -4.653
   73   HH12  ARG   7          2HH1      ARG   7   8.910  10.984  -4.138
   74   HH21  ARG   7          1HH2      ARG   7  10.734  11.645  -7.047
   75   HH22  ARG   7          2HH2      ARG   7  10.246  12.251  -5.500
   76    H    LYS   8           H        LYS   8   7.435   3.494  -9.022
   77    HA   LYS   8           HA       LYS   8   8.107   4.111 -11.619
   78    HB2  LYS   8          2HB       LYS   8   8.046   1.825 -10.497
   79    HB3  LYS   8          3HB       LYS   8   6.332   1.783 -10.892
   80    HG2  LYS   8          2HG       LYS   8   6.874   1.982 -13.267
   81    HG3  LYS   8          3HG       LYS   8   8.594   2.018 -12.869
   82    HD2  LYS   8          2HD       LYS   8   6.845  -0.252 -11.983
   83    HD3  LYS   8          3HD       LYS   8   7.544  -0.220 -13.604
   84    HE2  LYS   8          2HE       LYS   8   9.188   0.101 -11.104
   85    HE3  LYS   8          3HE       LYS   8   8.859  -1.468 -11.837
   86    HZ1  LYS   8          1HZ       LYS   8  10.896  -0.823 -12.721
   87    HZ2  LYS   8          2HZ       LYS   8  10.419   0.784 -12.942
   88    HZ3  LYS   8          3HZ       LYS   8   9.799  -0.428 -13.946
   89    H    ILE   9           H        ILE   9   4.865   3.733 -10.240
   90    HA   ILE   9           HA       ILE   9   3.428   4.050 -12.637
   91    HB   ILE   9           HB       ILE   9   2.519   4.817  -9.861
   92   HG12  ILE   9          2HG1      ILE   9   3.339   2.504  -9.926
   93   HG13  ILE   9          3HG1      ILE   9   1.590   2.548  -9.732
   94   HG21  ILE   9          1HG2      ILE   9   0.884   3.973 -12.247
   95   HG22  ILE   9          2HG2      ILE   9   0.289   4.547 -10.690
   96   HG23  ILE   9          3HG2      ILE   9   1.146   5.649 -11.767
   97   HD11  ILE   9          1HD1      ILE   9   2.984   2.107 -12.359
   98   HD12  ILE   9          2HD1      ILE   9   2.400   0.817 -11.308
   99   HD13  ILE   9          3HD1      ILE   9   1.260   1.956 -12.022
  100    H    VAL  10           H        VAL  10   4.526   6.395 -10.223
  101    HA   VAL  10           HA       VAL  10   3.242   8.661 -11.232
  102    HB   VAL  10           HB       VAL  10   5.951   8.584  -9.898
  103   HG11  VAL  10          1HG1      VAL  10   3.897  10.787  -9.909
  104   HG12  VAL  10          2HG1      VAL  10   5.541  10.850  -9.271
  105   HG13  VAL  10          3HG1      VAL  10   5.272  10.722 -11.010
  106   HG21  VAL  10          1HG2      VAL  10   4.614   9.027  -7.815
  107   HG22  VAL  10          2HG2      VAL  10   3.172   8.601  -8.736
  108   HG23  VAL  10          3HG2      VAL  10   4.443   7.405  -8.486
  109    H    ARG  11           H        ARG  11   6.535   7.468 -11.885
  110    HA   ARG  11           HA       ARG  11   7.349   9.426 -13.662
  111    HB2  ARG  11          2HB       ARG  11   8.595   7.341 -12.666
  112    HB3  ARG  11          3HB       ARG  11   8.085   6.568 -14.161
  113    HG2  ARG  11          2HG       ARG  11   9.558   9.179 -14.161
  114    HG3  ARG  11          3HG       ARG  11  10.399   7.629 -14.103
  115    HD2  ARG  11          2HD       ARG  11   9.093   6.983 -16.164
  116    HD3  ARG  11          3HD       ARG  11   8.573   8.665 -16.259
  117    HE   ARG  11           HE       ARG  11  11.302   8.781 -16.102
  118   HH11  ARG  11          1HH1      ARG  11   9.001   7.247 -18.216
  119   HH12  ARG  11          2HH1      ARG  11  10.034   7.319 -19.606
  120   HH21  ARG  11          1HH2      ARG  11  12.671   8.881 -17.924
  121   HH22  ARG  11          2HH2      ARG  11  12.121   8.247 -19.438
  122    H    ALA  12           H        ALA  12   5.797   6.313 -14.444
  123    HA   ALA  12           HA       ALA  12   5.614   6.708 -17.207
  124    HB1  ALA  12          1HB       ALA  12   4.154   4.984 -15.255
  125    HB2  ALA  12          2HB       ALA  12   3.599   5.078 -16.926
  126    HB3  ALA  12          3HB       ALA  12   5.235   4.526 -16.571
  127    H    LEU  13           H        LEU  13   3.249   7.396 -14.641
  128    HA   LEU  13           HA       LEU  13   1.168   8.314 -16.239
  129    HB2  LEU  13          2HB       LEU  13   2.008   8.750 -13.426
  130    HB3  LEU  13          3HB       LEU  13   0.791   9.835 -14.094
  131    HG   LEU  13           HG       LEU  13   0.495   6.840 -14.125
  132   HD11  LEU  13          1HD1      LEU  13  -0.729   6.929 -12.115
  133   HD12  LEU  13          2HD1      LEU  13  -0.735   8.693 -12.104
  134   HD13  LEU  13          3HD1      LEU  13   0.764   7.815 -11.803
  135   HD21  LEU  13          1HD2      LEU  13  -1.838   7.331 -14.486
  136   HD22  LEU  13          2HD2      LEU  13  -0.871   8.164 -15.703
  137   HD23  LEU  13          3HD2      LEU  13  -1.533   9.061 -14.336
  Start of MODEL    5
    1    H1   PHE   1           H        PHE   1   1.082   0.571   0.712
    2    HA   PHE   1           HA       PHE   1   1.877  -1.126  -1.562
    3    HB2  PHE   1          2HB       PHE   1   1.797   0.825  -3.005
    4    HB3  PHE   1          3HB       PHE   1   0.240   0.621  -2.209
    5    HD1  PHE   1           HD1      PHE   1  -0.629   2.278  -0.762
    6    HD2  PHE   1           HD2      PHE   1   3.348   2.600  -2.244
    7    HE1  PHE   1           HE1      PHE   1  -0.514   4.595   0.059
    8    HE2  PHE   1           HE2      PHE   1   3.470   4.917  -1.426
    9    HZ   PHE   1           HZ       PHE   1   1.538   5.917  -0.272
   10    H    LEU   2           H        LEU   2   3.860  -0.189  -2.707
   11    HA   LEU   2           HA       LEU   2   5.777   0.780  -0.689
   12    HB2  LEU   2          2HB       LEU   2   6.023  -1.347  -2.773
   13    HB3  LEU   2          3HB       LEU   2   7.455  -0.467  -2.244
   14    HG   LEU   2           HG       LEU   2   7.247  -2.593  -1.080
   15   HD11  LEU   2          1HD1      LEU   2   8.250  -0.669   0.074
   16   HD12  LEU   2          2HD1      LEU   2   7.459  -1.780   1.190
   17   HD13  LEU   2          3HD1      LEU   2   6.671  -0.265   0.748
   18   HD21  LEU   2          1HD2      LEU   2   4.742  -1.577   0.223
   19   HD22  LEU   2          2HD2      LEU   2   5.412  -3.209   0.231
   20   HD23  LEU   2          3HD2      LEU   2   4.692  -2.559  -1.242
   21    HA   PRO   3           HA       PRO   3   6.871   4.085  -3.360
   22    HB2  PRO   3          2HB       PRO   3   9.545   4.291  -2.940
   23    HB3  PRO   3          3HB       PRO   3   8.344   4.774  -1.736
   24    HG2  PRO   3          2HG       PRO   3   9.931   2.242  -1.918
   25    HG3  PRO   3          3HG       PRO   3   9.566   3.233  -0.494
   26    HD2  PRO   3          2HD       PRO   3   8.213   0.960  -1.073
   27    HD3  PRO   3          3HD       PRO   3   7.452   2.344  -0.262
   28    H    LYS   4           H        LYS   4   8.867   1.179  -3.630
   29    HA   LYS   4           HA       LYS   4  10.128   1.781  -6.060
   30    HB2  LYS   4          2HB       LYS   4   9.415  -0.837  -4.746
   31    HB3  LYS   4          3HB       LYS   4  10.298  -0.759  -6.265
   32    HG2  LYS   4          2HG       LYS   4  11.249   0.684  -3.815
   33    HG3  LYS   4          3HG       LYS   4  11.647  -1.009  -4.118
   34    HD2  LYS   4          2HD       LYS   4  12.645  -0.374  -6.272
   35    HD3  LYS   4          3HD       LYS   4  12.267   1.318  -5.940
   36    HE2  LYS   4          2HE       LYS   4  13.713   1.270  -3.982
   37    HE3  LYS   4          3HE       LYS   4  14.055  -0.437  -4.257
   38    HZ1  LYS   4          1HZ       LYS   4  15.333   0.028  -6.101
   39    HZ2  LYS   4          2HZ       LYS   4  15.718   1.324  -5.085
   40    HZ3  LYS   4          3HZ       LYS   4  14.628   1.543  -6.361
   41    H    ILE   5           H        ILE   5   7.122   0.001  -5.406
   42    HA   ILE   5           HA       ILE   5   6.544  -0.334  -8.205
   43    HB   ILE   5           HB       ILE   5   4.349  -1.203  -7.402
   44   HG12  ILE   5          2HG1      ILE   5   5.508  -0.917  -4.630
   45   HG13  ILE   5          3HG1      ILE   5   4.385   0.254  -5.312
   46   HG21  ILE   5          1HG2      ILE   5   6.880  -2.344  -6.241
   47   HG22  ILE   5          2HG2      ILE   5   5.334  -3.191  -6.216
   48   HG23  ILE   5          3HG2      ILE   5   6.088  -2.779  -7.756
   49   HD11  ILE   5          1HD1      ILE   5   2.936  -1.906  -5.731
   50   HD12  ILE   5          2HD1      ILE   5   3.910  -2.523  -4.397
   51   HD13  ILE   5          3HD1      ILE   5   2.933  -1.072  -4.177
   52    H    LEU   6           H        LEU   6   5.690   1.919  -5.680
   53    HA   LEU   6           HA       LEU   6   3.469   3.107  -6.984
   54    HB2  LEU   6          2HB       LEU   6   3.583   3.498  -4.694
   55    HB3  LEU   6          3HB       LEU   6   5.290   3.930  -4.756
   56    HG   LEU   6           HG       LEU   6   4.719   6.063  -5.800
   57   HD11  LEU   6          1HD1      LEU   6   2.233   6.685  -5.723
   58   HD12  LEU   6          2HD1      LEU   6   1.940   4.946  -5.687
   59   HD13  LEU   6          3HD1      LEU   6   2.793   5.668  -7.051
   60   HD21  LEU   6          1HD2      LEU   6   2.946   5.773  -3.401
   61   HD22  LEU   6          2HD2      LEU   6   3.975   7.128  -3.867
   62   HD23  LEU   6          3HD2      LEU   6   4.699   5.636  -3.262
   63    H    ARG   7           H        ARG   7   6.867   4.136  -6.671
   64    HA   ARG   7           HA       ARG   7   6.778   6.459  -8.145
   65    HB2  ARG   7          2HB       ARG   7   8.748   5.236  -6.898
   66    HB3  ARG   7          3HB       ARG   7   9.101   4.610  -8.502
   67    HG2  ARG   7          2HG       ARG   7  10.439   6.516  -8.275
   68    HG3  ARG   7          3HG       ARG   7   9.084   7.024  -9.285
   69    HD2  ARG   7          2HD       ARG   7   8.000   8.042  -7.372
   70    HD3  ARG   7          3HD       ARG   7   9.279   7.458  -6.308
   71    HE   ARG   7           HE       ARG   7  10.574   8.957  -8.190
   72   HH11  ARG   7          1HH1      ARG   7   7.984   9.520  -5.933
   73   HH12  ARG   7          2HH1      ARG   7   8.352  11.201  -5.730
   74   HH21  ARG   7          1HH2      ARG   7  11.068  11.169  -7.932
   75   HH22  ARG   7          2HH2      ARG   7  10.105  12.138  -6.869
   76    H    LYS   8           H        LYS   8   7.231   3.147  -9.334
   77    HA   LYS   8           HA       LYS   8   7.701   3.632 -12.002
   78    HB2  LYS   8          2HB       LYS   8   6.127   1.419 -10.686
   79    HB3  LYS   8          3HB       LYS   8   6.522   1.423 -12.400
   80    HG2  LYS   8          2HG       LYS   8   8.640   1.657 -10.290
   81    HG3  LYS   8          3HG       LYS   8   8.033   0.094 -10.842
   82    HD2  LYS   8          2HD       LYS   8   9.010   2.151 -12.793
   83    HD3  LYS   8          3HD       LYS   8  10.136   1.069 -11.972
   84    HE2  LYS   8          2HE       LYS   8   8.913  -0.862 -12.843
   85    HE3  LYS   8          3HE       LYS   8   7.780   0.218 -13.654
   86    HZ1  LYS   8          1HZ       LYS   8   9.473  -0.609 -15.170
   87    HZ2  LYS   8          2HZ       LYS   8  10.694   0.053 -14.204
   88    HZ3  LYS   8          3HZ       LYS   8   9.596   1.069 -14.993
   89    H    ILE   9           H        ILE   9   4.580   3.479 -10.332
   90    HA   ILE   9           HA       ILE   9   2.955   3.776 -12.610
   91    HB   ILE   9           HB       ILE   9   2.332   4.686  -9.799
   92   HG12  ILE   9          2HG1      ILE   9   3.025   2.331  -9.847
   93   HG13  ILE   9          3HG1      ILE   9   1.305   2.476  -9.505
   94   HG21  ILE   9          1HG2      ILE   9   0.653   4.180 -12.232
   95   HG22  ILE   9          2HG2      ILE   9  -0.029   4.105 -10.609
   96   HG23  ILE   9          3HG2      ILE   9   0.696   5.603 -11.192
   97   HD11  ILE   9          1HD1      ILE   9   2.543   1.746 -12.147
   98   HD12  ILE   9          2HD1      ILE   9   1.707   0.660 -11.037
   99   HD13  ILE   9          3HD1      ILE   9   0.816   1.947 -11.850
  100    H    VAL  10           H        VAL  10   4.371   6.149 -10.399
  101    HA   VAL  10           HA       VAL  10   3.111   8.439 -11.392
  102    HB   VAL  10           HB       VAL  10   5.913   8.275 -10.276
  103   HG11  VAL  10          1HG1      VAL  10   5.260  10.401 -11.414
  104   HG12  VAL  10          2HG1      VAL  10   3.969  10.577 -10.225
  105   HG13  VAL  10          3HG1      VAL  10   5.655  10.582  -9.705
  106   HG21  VAL  10          1HG2      VAL  10   4.715   8.917  -8.124
  107   HG22  VAL  10          2HG2      VAL  10   3.231   8.402  -8.924
  108   HG23  VAL  10          3HG2      VAL  10   4.539   7.248  -8.665
  109    H    ARG  11           H        ARG  11   6.282   7.060 -12.253
  110    HA   ARG  11           HA       ARG  11   7.038   8.906 -14.170
  111    HB2  ARG  11          2HB       ARG  11   8.346   6.910 -13.211
  112    HB3  ARG  11          3HB       ARG  11   7.576   5.962 -14.476
  113    HG2  ARG  11          2HG       ARG  11   9.630   6.550 -15.385
  114    HG3  ARG  11          3HG       ARG  11   8.508   7.713 -16.094
  115    HD2  ARG  11          2HD       ARG  11   9.220   9.431 -14.630
  116    HD3  ARG  11          3HD       ARG  11  10.091   8.292 -13.604
  117    HE   ARG  11           HE       ARG  11  11.104   8.297 -16.264
  118   HH11  ARG  11          1HH1      ARG  11  11.143  10.058 -13.261
  119   HH12  ARG  11          2HH1      ARG  11  12.700  10.764 -13.544
  120   HH21  ARG  11          1HH2      ARG  11  13.155   9.220 -16.648
  121   HH22  ARG  11          2HH2      ARG  11  13.843  10.287 -15.471
  122    H    ALA  12           H        ALA  12   5.289   5.845 -14.696
  123    HA   ALA  12           HA       ALA  12   4.901   6.141 -17.449
  124    HB1  ALA  12          1HB       ALA  12   3.655   4.517 -15.306
  125    HB2  ALA  12          2HB       ALA  12   2.775   4.666 -16.828
  126    HB3  ALA  12          3HB       ALA  12   4.413   4.014 -16.817
  127    H    LEU  13           H        LEU  13   2.787   7.045 -14.736
  128    HA   LEU  13           HA       LEU  13   0.628   8.002 -16.205
  129    HB2  LEU  13          2HB       LEU  13   1.710   8.501 -13.487
  130    HB3  LEU  13          3HB       LEU  13   0.497   9.622 -14.102
  131    HG   LEU  13           HG       LEU  13   0.055   6.647 -13.986
  132   HD11  LEU  13          1HD1      LEU  13  -0.967   8.607 -11.958
  133   HD12  LEU  13          2HD1      LEU  13   0.557   7.748 -11.737
  134   HD13  LEU  13          3HD1      LEU  13  -0.950   6.844 -11.884
  135   HD21  LEU  13          1HD2      LEU  13  -1.721   9.046 -14.369
  136   HD22  LEU  13          2HD2      LEU  13  -2.340   7.442 -13.971
  137   HD23  LEU  13          3HD2      LEU  13  -1.455   7.699 -15.476
  Start of MODEL    6
    1    H1   PHE   1           H        PHE   1   1.243  -1.153   0.517
    2    HA   PHE   1           HA       PHE   1   1.922  -1.254  -1.782
    3    HB2  PHE   1          2HB       PHE   1   1.836   0.723  -3.189
    4    HB3  PHE   1          3HB       PHE   1   0.255   0.452  -2.461
    5    HD1  PHE   1           HD1      PHE   1  -0.723   2.049  -1.015
    6    HD2  PHE   1           HD2      PHE   1   3.295   2.532  -2.334
    7    HE1  PHE   1           HE1      PHE   1  -0.718   4.350  -0.145
    8    HE2  PHE   1           HE2      PHE   1   3.307   4.834  -1.466
    9    HZ   PHE   1           HZ       PHE   1   1.299   5.746  -0.369
   10    H    LEU   2           H        LEU   2   3.915  -0.220  -2.830
   11    HA   LEU   2           HA       LEU   2   5.717   0.767  -0.717
   12    HB2  LEU   2          2HB       LEU   2   6.117  -1.313  -2.826
   13    HB3  LEU   2          3HB       LEU   2   7.497  -0.397  -2.223
   14    HG   LEU   2           HG       LEU   2   7.312  -2.550  -1.105
   15   HD11  LEU   2          1HD1      LEU   2   8.204  -0.616   0.122
   16   HD12  LEU   2          2HD1      LEU   2   7.405  -1.772   1.186
   17   HD13  LEU   2          3HD1      LEU   2   6.587  -0.276   0.737
   18   HD21  LEU   2          1HD2      LEU   2   4.727  -1.643   0.118
   19   HD22  LEU   2          2HD2      LEU   2   5.447  -3.253   0.113
   20   HD23  LEU   2          3HD2      LEU   2   4.763  -2.587  -1.371
   21    HA   PRO   3           HA       PRO   3   6.809   4.154  -3.283
   22    HB2  PRO   3          2HB       PRO   3   9.456   4.438  -2.750
   23    HB3  PRO   3          3HB       PRO   3   8.191   4.859  -1.589
   24    HG2  PRO   3          2HG       PRO   3   9.867   2.384  -1.749
   25    HG3  PRO   3          3HG       PRO   3   9.412   3.336  -0.325
   26    HD2  PRO   3          2HD       PRO   3   8.160   1.032  -0.998
   27    HD3  PRO   3          3HD       PRO   3   7.321   2.375  -0.194
   28    H    LYS   4           H        LYS   4   8.909   1.319  -3.521
   29    HA   LYS   4           HA       LYS   4  10.248   2.005  -5.885
   30    HB2  LYS   4          2HB       LYS   4   9.542  -0.686  -4.713
   31    HB3  LYS   4          3HB       LYS   4  10.571  -0.488  -6.127
   32    HG2  LYS   4          2HG       LYS   4  11.190   0.850  -3.514
   33    HG3  LYS   4          3HG       LYS   4  11.714  -0.796  -3.878
   34    HD2  LYS   4          2HD       LYS   4  12.292   1.465  -5.762
   35    HD3  LYS   4          3HD       LYS   4  13.332   1.151  -4.370
   36    HE2  LYS   4          2HE       LYS   4  12.610  -0.991  -6.351
   37    HE3  LYS   4          3HE       LYS   4  13.990   0.079  -6.589
   38    HZ1  LYS   4          1HZ       LYS   4  14.809  -1.844  -5.540
   39    HZ2  LYS   4          2HZ       LYS   4  13.561  -1.868  -4.399
   40    HZ3  LYS   4          3HZ       LYS   4  14.749  -0.665  -4.328
   41    H    ILE   5           H        ILE   5   7.275   0.121  -5.390
   42    HA   ILE   5           HA       ILE   5   6.824  -0.172  -8.218
   43    HB   ILE   5           HB       ILE   5   4.629  -1.132  -7.522
   44   HG12  ILE   5          2HG1      ILE   5   5.668  -0.882  -4.701
   45   HG13  ILE   5          3HG1      ILE   5   4.541   0.277  -5.398
   46   HG21  ILE   5          1HG2      ILE   5   5.557  -3.160  -6.574
   47   HG22  ILE   5          2HG2      ILE   5   6.640  -2.517  -7.808
   48   HG23  ILE   5          3HG2      ILE   5   7.019  -2.295  -6.100
   49   HD11  ILE   5          1HD1      ILE   5   2.801  -1.182  -5.351
   50   HD12  ILE   5          2HD1      ILE   5   3.836  -2.599  -5.534
   51   HD13  ILE   5          3HD1      ILE   5   3.725  -1.782  -3.975
   52    H    LEU   6           H        LEU   6   5.797   1.995  -5.683
   53    HA   LEU   6           HA       LEU   6   3.587   3.135  -7.047
   54    HB2  LEU   6          2HB       LEU   6   3.600   3.483  -4.748
   55    HB3  LEU   6          3HB       LEU   6   5.294   3.970  -4.736
   56    HG   LEU   6           HG       LEU   6   4.693   6.106  -5.759
   57   HD11  LEU   6          1HD1      LEU   6   2.188   6.646  -5.765
   58   HD12  LEU   6          2HD1      LEU   6   1.949   4.899  -5.774
   59   HD13  LEU   6          3HD1      LEU   6   2.829   5.675  -7.090
   60   HD21  LEU   6          1HD2      LEU   6   2.838   5.715  -3.438
   61   HD22  LEU   6          2HD2      LEU   6   3.850   7.105  -3.834
   62   HD23  LEU   6          3HD2      LEU   6   4.587   5.619  -3.231
   63    H    ARG   7           H        ARG   7   6.934   4.267  -6.587
   64    HA   ARG   7           HA       ARG   7   6.823   6.618  -8.015
   65    HB2  ARG   7          2HB       ARG   7   8.786   5.430  -6.723
   66    HB3  ARG   7          3HB       ARG   7   9.217   4.854  -8.327
   67    HG2  ARG   7          2HG       ARG   7  10.481   6.796  -8.008
   68    HG3  ARG   7          3HG       ARG   7   9.148   7.284  -9.056
   69    HD2  ARG   7          2HD       ARG   7   7.963   8.221  -7.163
   70    HD3  ARG   7          3HD       ARG   7   9.220   7.654  -6.065
   71    HE   ARG   7           HE       ARG   7  10.195   9.394  -8.132
   72   HH11  ARG   7          1HH1      ARG   7   8.765   9.238  -4.962
   73   HH12  ARG   7          2HH1      ARG   7   9.368  10.786  -4.471
   74   HH21  ARG   7          1HH2      ARG   7  10.995  11.434  -7.497
   75   HH22  ARG   7          2HH2      ARG   7  10.635  12.035  -5.914
   76    H    LYS   8           H        LYS   8   7.428   3.349  -9.256
   77    HA   LYS   8           HA       LYS   8   7.977   3.908 -11.895
   78    HB2  LYS   8          2HB       LYS   8   7.762   1.636 -10.567
   79    HB3  LYS   8          3HB       LYS   8   6.148   1.627 -11.268
   80    HG2  LYS   8          2HG       LYS   8   7.032   1.642 -13.484
   81    HG3  LYS   8          3HG       LYS   8   8.671   1.907 -12.884
   82    HD2  LYS   8          2HD       LYS   8   7.094  -0.509 -12.066
   83    HD3  LYS   8          3HD       LYS   8   7.986  -0.477 -13.589
   84    HE2  LYS   8          2HE       LYS   8   9.996   0.246 -12.184
   85    HE3  LYS   8          3HE       LYS   8   9.047  -0.259 -10.786
   86    HZ1  LYS   8          1HZ       LYS   8   9.608  -2.039 -13.089
   87    HZ2  LYS   8          2HZ       LYS   8   8.978  -2.470 -11.580
   88    HZ3  LYS   8          3HZ       LYS   8  10.590  -1.974 -11.713
   89    H    ILE   9           H        ILE   9   4.805   3.618 -10.343
   90    HA   ILE   9           HA       ILE   9   3.252   3.910 -12.672
   91    HB   ILE   9           HB       ILE   9   2.498   4.743  -9.869
   92   HG12  ILE   9          2HG1      ILE   9   3.276   2.415  -9.932
   93   HG13  ILE   9          3HG1      ILE   9   1.540   2.493  -9.651
   94   HG21  ILE   9          1HG2      ILE   9   0.224   4.496 -10.579
   95   HG22  ILE   9          2HG2      ILE   9   1.044   5.567 -11.714
   96   HG23  ILE   9          3HG2      ILE   9   0.732   3.888 -12.155
   97   HD11  ILE   9          1HD1      ILE   9   1.082   1.858 -11.903
   98   HD12  ILE   9          2HD1      ILE   9   2.786   1.986 -12.339
   99   HD13  ILE   9          3HD1      ILE   9   2.251   0.720 -11.234
  100    H    VAL  10           H        VAL  10   4.511   6.280 -10.363
  101    HA   VAL  10           HA       VAL  10   3.212   8.550 -11.348
  102    HB   VAL  10           HB       VAL  10   5.986   8.450 -10.155
  103   HG11  VAL  10          1HG1      VAL  10   5.294  10.579 -11.268
  104   HG12  VAL  10          2HG1      VAL  10   3.968  10.688 -10.108
  105   HG13  VAL  10          3HG1      VAL  10   5.640  10.734  -9.546
  106   HG21  VAL  10          1HG2      VAL  10   4.797   8.924  -8.010
  107   HG22  VAL  10          2HG2      VAL  10   3.278   8.576  -8.836
  108   HG23  VAL  10          3HG2      VAL  10   4.497   7.314  -8.664
  109    H    ARG  11           H        ARG  11   6.448   7.289 -12.147
  110    HA   ARG  11           HA       ARG  11   7.200   9.199 -14.001
  111    HB2  ARG  11          2HB       ARG  11   8.577   7.272 -13.064
  112    HB3  ARG  11          3HB       ARG  11   7.826   6.265 -14.295
  113    HG2  ARG  11          2HG       ARG  11   9.856   6.894 -15.235
  114    HG3  ARG  11          3HG       ARG  11   8.689   7.994 -15.971
  115    HD2  ARG  11          2HD       ARG  11   9.289   9.689 -14.262
  116    HD3  ARG  11          3HD       ARG  11  10.533   8.593 -13.661
  117    HE   ARG  11           HE       ARG  11  11.852   9.161 -15.447
  118   HH11  ARG  11          1HH1      ARG  11   8.592  10.231 -16.037
  119   HH12  ARG  11          2HH1      ARG  11   9.007  11.137 -17.455
  120   HH21  ARG  11          1HH2      ARG  11  12.411  10.349 -17.312
  121   HH22  ARG  11          2HH2      ARG  11  11.179  11.202 -18.180
  122    H    ALA  12           H        ALA  12   5.559   6.100 -14.642
  123    HA   ALA  12           HA       ALA  12   5.238   6.448 -17.399
  124    HB1  ALA  12          1HB       ALA  12   3.158   4.991 -15.843
  125    HB2  ALA  12          2HB       ALA  12   3.951   4.552 -17.357
  126    HB3  ALA  12          3HB       ALA  12   4.815   4.385 -15.828
  127    H    LEU  13           H        LEU  13   3.022   7.222 -14.728
  128    HA   LEU  13           HA       LEU  13   0.876   8.148 -16.234
  129    HB2  LEU  13          2HB       LEU  13   1.867   8.619 -13.476
  130    HB3  LEU  13          3HB       LEU  13   0.635   9.713 -14.101
  131    HG   LEU  13           HG       LEU  13   0.289   6.723 -14.060
  132   HD11  LEU  13          1HD1      LEU  13  -0.780   6.843 -11.985
  133   HD12  LEU  13          2HD1      LEU  13  -0.852   8.605 -12.021
  134   HD13  LEU  13          3HD1      LEU  13   0.693   7.790 -11.775
  135   HD21  LEU  13          1HD2      LEU  13  -1.622   9.040 -14.337
  136   HD22  LEU  13          2HD2      LEU  13  -2.102   7.350 -14.183
  137   HD23  LEU  13          3HD2      LEU  13  -1.175   7.880 -15.588
  Start of MODEL    7
    1    H1   PHE   1           H        PHE   1   1.285  -0.087   0.489
    2    HA   PHE   1           HA       PHE   1   2.233  -1.624  -1.829
    3    HB2  PHE   1          2HB       PHE   1   2.034   0.323  -3.269
    4    HB3  PHE   1          3HB       PHE   1   0.465  -0.047  -2.561
    5    HD1  PHE   1           HD1      PHE   1   3.349   2.241  -2.422
    6    HD2  PHE   1           HD2      PHE   1  -0.645   1.498  -1.153
    7    HE1  PHE   1           HE1      PHE   1   3.188   4.551  -1.590
    8    HE2  PHE   1           HE2      PHE   1  -0.813   3.807  -0.319
    9    HZ   PHE   1           HZ       PHE   1   1.105   5.337  -0.538
   10    H    LEU   2           H        LEU   2   4.139  -0.382  -2.891
   11    HA   LEU   2           HA       LEU   2   5.872   0.647  -0.741
   12    HB2  LEU   2          2HB       LEU   2   6.415  -1.248  -2.986
   13    HB3  LEU   2          3HB       LEU   2   7.721  -0.259  -2.339
   14    HG   LEU   2           HG       LEU   2   7.734  -2.491  -1.365
   15   HD11  LEU   2          1HD1      LEU   2   6.864  -0.404   0.629
   16   HD12  LEU   2          2HD1      LEU   2   8.492  -0.576  -0.026
   17   HD13  LEU   2          3HD1      LEU   2   7.803  -1.857   0.971
   18   HD21  LEU   2          1HD2      LEU   2   5.953  -3.400  -0.135
   19   HD22  LEU   2          2HD2      LEU   2   5.213  -2.759  -1.602
   20   HD23  LEU   2          3HD2      LEU   2   5.088  -1.864  -0.087
   21    HA   PRO   3           HA       PRO   3   6.639   4.275  -3.085
   22    HB2  PRO   3          2HB       PRO   3   9.263   4.742  -2.569
   23    HB3  PRO   3          3HB       PRO   3   7.990   4.979  -1.365
   24    HG2  PRO   3          2HG       PRO   3   9.860   2.667  -1.715
   25    HG3  PRO   3          3HG       PRO   3   9.355   3.482  -0.223
   26    HD2  PRO   3          2HD       PRO   3   8.284   1.131  -1.034
   27    HD3  PRO   3          3HD       PRO   3   7.353   2.343  -0.131
   28    H    LYS   4           H        LYS   4   9.057   1.715  -3.511
   29    HA   LYS   4           HA       LYS   4  10.164   2.689  -5.912
   30    HB2  LYS   4          2HB       LYS   4  10.026  -0.095  -4.752
   31    HB3  LYS   4          3HB       LYS   4  10.920   0.295  -6.216
   32    HG2  LYS   4          2HG       LYS   4  11.435   1.729  -3.635
   33    HG3  LYS   4          3HG       LYS   4  12.211   0.190  -4.018
   34    HD2  LYS   4          2HD       LYS   4  12.304   2.492  -5.939
   35    HD3  LYS   4          3HD       LYS   4  13.450   2.376  -4.602
   36    HE2  LYS   4          2HE       LYS   4  14.242   0.249  -5.400
   37    HE3  LYS   4          3HE       LYS   4  12.995   0.206  -6.646
   38    HZ1  LYS   4          1HZ       LYS   4  15.124   0.875  -7.558
   39    HZ2  LYS   4          2HZ       LYS   4  15.211   2.177  -6.482
   40    HZ3  LYS   4          3HZ       LYS   4  14.012   2.144  -7.675
   41    H    ILE   5           H        ILE   5   7.647   0.244  -5.324
   42    HA   ILE   5           HA       ILE   5   7.123  -0.202  -8.086
   43    HB   ILE   5           HB       ILE   5   5.095  -1.379  -7.310
   44   HG12  ILE   5          2HG1      ILE   5   5.210  -1.615  -4.632
   45   HG13  ILE   5          3HG1      ILE   5   5.794   0.038  -4.797
   46   HG21  ILE   5          1HG2      ILE   5   7.685  -1.985  -5.903
   47   HG22  ILE   5          2HG2      ILE   5   6.299  -3.074  -5.891
   48   HG23  ILE   5          3HG2      ILE   5   7.085  -2.666  -7.416
   49   HD11  ILE   5          1HD1      ILE   5   3.582   0.460  -4.620
   50   HD12  ILE   5          2HD1      ILE   5   3.660   0.214  -6.365
   51   HD13  ILE   5          3HD1      ILE   5   3.114  -1.092  -5.313
   52    H    LEU   6           H        LEU   6   5.786   1.935  -5.642
   53    HA   LEU   6           HA       LEU   6   3.518   2.765  -7.133
   54    HB2  LEU   6          2HB       LEU   6   3.362   3.161  -4.852
   55    HB3  LEU   6          3HB       LEU   6   4.990   3.830  -4.758
   56    HG   LEU   6           HG       LEU   6   4.212   5.867  -5.880
   57   HD11  LEU   6          1HD1      LEU   6   1.664   6.134  -5.975
   58   HD12  LEU   6          2HD1      LEU   6   1.614   4.372  -5.941
   59   HD13  LEU   6          3HD1      LEU   6   2.448   5.204  -7.253
   60   HD21  LEU   6          1HD2      LEU   6   3.235   6.817  -4.006
   61   HD22  LEU   6          2HD2      LEU   6   4.064   5.411  -3.338
   62   HD23  LEU   6          3HD2      LEU   6   2.322   5.360  -3.615
   63    H    ARG   7           H        ARG   7   6.671   4.316  -6.539
   64    HA   ARG   7           HA       ARG   7   6.341   6.605  -8.032
   65    HB2  ARG   7          2HB       ARG   7   8.345   5.827  -6.599
   66    HB3  ARG   7          3HB       ARG   7   8.929   5.076  -8.077
   67    HG2  ARG   7          2HG       ARG   7   9.998   7.152  -7.983
   68    HG3  ARG   7          3HG       ARG   7   8.693   7.366  -9.152
   69    HD2  ARG   7          2HD       ARG   7   7.401   8.612  -7.657
   70    HD3  ARG   7          3HD       ARG   7   8.310   8.042  -6.257
   71    HE   ARG   7           HE       ARG   7   9.894   9.572  -8.097
   72   HH11  ARG   7          1HH1      ARG   7   7.695   9.740  -5.403
   73   HH12  ARG   7          2HH1      ARG   7   8.268  11.283  -4.864
   74   HH21  ARG   7          1HH2      ARG   7  10.657  11.604  -7.396
   75   HH22  ARG   7          2HH2      ARG   7   9.952  12.343  -5.999
   76    H    LYS   8           H        LYS   8   7.062   3.350  -9.133
   77    HA   LYS   8           HA       LYS   8   7.896   3.773 -11.715
   78    HB2  LYS   8          2HB       LYS   8   7.522   1.564 -10.439
   79    HB3  LYS   8          3HB       LYS   8   5.877   1.641 -11.056
   80    HG2  LYS   8          2HG       LYS   8   6.929   1.847 -13.366
   81    HG3  LYS   8          3HG       LYS   8   8.437   1.353 -12.593
   82    HD2  LYS   8          2HD       LYS   8   5.922  -0.245 -12.245
   83    HD3  LYS   8          3HD       LYS   8   6.948  -0.460 -13.665
   84    HE2  LYS   8          2HE       LYS   8   7.982  -0.630 -10.843
   85    HE3  LYS   8          3HE       LYS   8   7.384  -2.029 -11.734
   86    HZ1  LYS   8          1HZ       LYS   8   9.514  -0.293 -12.824
   87    HZ2  LYS   8          2HZ       LYS   8   9.110  -1.873 -13.274
   88    HZ3  LYS   8          3HZ       LYS   8   9.868  -1.585 -11.789
   89    H    ILE   9           H        ILE   9   4.543   3.617 -10.546
   90    HA   ILE   9           HA       ILE   9   3.400   4.139 -13.107
   91    HB   ILE   9           HB       ILE   9   2.172   4.411 -10.361
   92   HG12  ILE   9          2HG1      ILE   9   1.033   2.218 -11.330
   93   HG13  ILE   9          3HG1      ILE   9   2.520   2.140 -12.267
   94   HG21  ILE   9          1HG2      ILE   9   0.808   5.678 -11.770
   95   HG22  ILE   9          2HG2      ILE   9   1.015   4.566 -13.122
   96   HG23  ILE   9          3HG2      ILE   9   0.032   4.095 -11.736
   97   HD11  ILE   9          1HD1      ILE   9   2.292   0.963  -9.928
   98   HD12  ILE   9          2HD1      ILE   9   3.807   1.705 -10.443
   99   HD13  ILE   9          3HD1      ILE   9   2.733   2.566  -9.340
  100    H    VAL  10           H        VAL  10   4.318   6.118 -10.350
  101    HA   VAL  10           HA       VAL  10   3.042   8.503 -11.087
  102    HB   VAL  10           HB       VAL  10   5.675   8.245  -9.628
  103   HG11  VAL  10          1HG1      VAL  10   3.651  10.451  -9.874
  104   HG12  VAL  10          2HG1      VAL  10   4.802  10.378  -8.538
  105   HG13  VAL  10          3HG1      VAL  10   5.383  10.505 -10.199
  106   HG21  VAL  10          1HG2      VAL  10   2.835   7.984  -8.690
  107   HG22  VAL  10          2HG2      VAL  10   4.195   6.896  -8.413
  108   HG23  VAL  10          3HG2      VAL  10   4.134   8.456  -7.594
  109    H    ARG  11           H        ARG  11   6.378   7.421 -11.716
  110    HA   ARG  11           HA       ARG  11   7.272   9.612 -13.148
  111    HB2  ARG  11          2HB       ARG  11   8.478   7.406 -12.394
  112    HB3  ARG  11          3HB       ARG  11   8.058   6.856 -14.010
  113    HG2  ARG  11          2HG       ARG  11   9.168   9.029 -14.814
  114    HG3  ARG  11          3HG       ARG  11   9.875   9.089 -13.198
  115    HD2  ARG  11          2HD       ARG  11  11.456   7.998 -14.581
  116    HD3  ARG  11          3HD       ARG  11  10.701   6.742 -13.600
  117    HE   ARG  11           HE       ARG  11   9.241   6.833 -15.926
  118   HH11  ARG  11          1HH1      ARG  11  12.569   6.280 -15.067
  119   HH12  ARG  11          2HH1      ARG  11  12.878   5.231 -16.411
  120   HH21  ARG  11          1HH2      ARG  11   9.635   5.453 -17.699
  121   HH22  ARG  11          2HH2      ARG  11  11.208   4.762 -17.908
  122    H    ALA  12           H        ALA  12   5.785   6.645 -14.450
  123    HA   ALA  12           HA       ALA  12   5.755   7.419 -17.134
  124    HB1  ALA  12          1HB       ALA  12   3.765   5.776 -17.240
  125    HB2  ALA  12          2HB       ALA  12   5.351   5.163 -16.770
  126    HB3  ALA  12          3HB       ALA  12   4.128   5.478 -15.540
  127    H    LEU  13           H        LEU  13   3.250   7.772 -14.635
  128    HA   LEU  13           HA       LEU  13   1.264   8.919 -16.206
  129    HB2  LEU  13          2HB       LEU  13   1.944   8.956 -13.318
  130    HB3  LEU  13          3HB       LEU  13   0.774  10.140 -13.896
  131    HG   LEU  13           HG       LEU  13   0.462   7.181 -14.357
  132   HD11  LEU  13          1HD1      LEU  13  -0.848   6.994 -12.420
  133   HD12  LEU  13          2HD1      LEU  13  -0.896   8.740 -12.180
  134   HD13  LEU  13          3HD1      LEU  13   0.604   7.855 -11.907
  135   HD21  LEU  13          1HD2      LEU  13  -1.363   9.565 -14.564
  136   HD22  LEU  13          2HD2      LEU  13  -1.946   7.901 -14.551
  137   HD23  LEU  13          3HD2      LEU  13  -0.878   8.452 -15.842
  Start of MODEL    8
    1    H1   PHE   1           H        PHE   1   0.947   0.009   0.397
    2    HA   PHE   1           HA       PHE   1   1.893  -1.516  -1.940
    3    HB2  PHE   1          2HB       PHE   1   1.850   0.547  -3.219
    4    HB3  PHE   1          3HB       PHE   1   0.269   0.277  -2.492
    5    HD1  PHE   1           HD1      PHE   1  -0.648   1.807  -0.937
    6    HD2  PHE   1           HD2      PHE   1   3.369   2.256  -2.270
    7    HE1  PHE   1           HE1      PHE   1  -0.566   4.048   0.075
    8    HE2  PHE   1           HE2      PHE   1   3.458   4.498  -1.259
    9    HZ   PHE   1           HZ       PHE   1   1.489   5.396  -0.085
   10    H    LEU   2           H        LEU   2   3.894  -0.412  -2.949
   11    HA   LEU   2           HA       LEU   2   5.761   0.277  -0.775
   12    HB2  LEU   2          2HB       LEU   2   6.069  -1.462  -3.186
   13    HB3  LEU   2          3HB       LEU   2   7.479  -0.660  -2.497
   14    HG   LEU   2           HG       LEU   2   7.295  -2.958  -1.713
   15   HD11  LEU   2          1HD1      LEU   2   8.264  -1.246  -0.242
   16   HD12  LEU   2          2HD1      LEU   2   7.475  -2.536   0.665
   17   HD13  LEU   2          3HD1      LEU   2   6.674  -0.976   0.473
   18   HD21  LEU   2          1HD2      LEU   2   4.759  -2.203  -0.294
   19   HD22  LEU   2          2HD2      LEU   2   5.460  -3.804  -0.527
   20   HD23  LEU   2          3HD2      LEU   2   4.747  -2.946  -1.893
   21    HA   PRO   3           HA       PRO   3   6.827   4.004  -2.831
   22    HB2  PRO   3          2HB       PRO   3   9.494   4.174  -2.352
   23    HB3  PRO   3          3HB       PRO   3   8.274   4.427  -1.097
   24    HG2  PRO   3          2HG       PRO   3   9.905   1.987  -1.690
   25    HG3  PRO   3          3HG       PRO   3   9.511   2.715  -0.122
   26    HD2  PRO   3          2HD       PRO   3   8.201   0.554  -1.096
   27    HD3  PRO   3          3HD       PRO   3   7.410   1.768  -0.069
   28    H    LYS   4           H        LYS   4   9.015   1.294  -3.524
   29    HA   LYS   4           HA       LYS   4  10.142   2.358  -5.873
   30    HB2  LYS   4          2HB       LYS   4   9.780  -0.496  -4.953
   31    HB3  LYS   4          3HB       LYS   4  10.694  -0.049  -6.387
   32    HG2  LYS   4          2HG       LYS   4  11.342   1.080  -3.686
   33    HG3  LYS   4          3HG       LYS   4  11.994  -0.464  -4.239
   34    HD2  LYS   4          2HD       LYS   4  12.244   2.012  -5.913
   35    HD3  LYS   4          3HD       LYS   4  13.391   1.671  -4.615
   36    HE2  LYS   4          2HE       LYS   4  14.073  -0.362  -5.644
   37    HE3  LYS   4          3HE       LYS   4  12.750  -0.290  -6.808
   38    HZ1  LYS   4          1HZ       LYS   4  15.085   1.538  -6.669
   39    HZ2  LYS   4          2HZ       LYS   4  13.776   1.738  -7.721
   40    HZ3  LYS   4          3HZ       LYS   4  14.776   0.381  -7.864
   41    H    ILE   5           H        ILE   5   7.437   0.093  -5.413
   42    HA   ILE   5           HA       ILE   5   6.815  -0.083  -8.183
   43    HB   ILE   5           HB       ILE   5   4.706  -1.132  -7.446
   44   HG12  ILE   5          2HG1      ILE   5   4.834  -1.578  -4.799
   45   HG13  ILE   5          3HG1      ILE   5   5.578   0.016  -4.848
   46   HG21  ILE   5          1HG2      ILE   5   7.033  -2.201  -5.864
   47   HG22  ILE   5          2HG2      ILE   5   5.683  -3.105  -6.548
   48   HG23  ILE   5          3HG2      ILE   5   6.883  -2.373  -7.612
   49   HD11  ILE   5          1HD1      ILE   5   3.437   0.495  -6.369
   50   HD12  ILE   5          2HD1      ILE   5   2.791  -0.795  -5.353
   51   HD13  ILE   5          3HD1      ILE   5   3.437   0.670  -4.614
   52    H    LEU   6           H        LEU   6   5.753   1.987  -5.559
   53    HA   LEU   6           HA       LEU   6   3.529   3.123  -6.908
   54    HB2  LEU   6          2HB       LEU   6   3.488   3.366  -4.597
   55    HB3  LEU   6          3HB       LEU   6   5.169   3.892  -4.527
   56    HG   LEU   6           HG       LEU   6   4.526   6.057  -5.481
   57   HD11  LEU   6          1HD1      LEU   6   2.670   5.633  -6.827
   58   HD12  LEU   6          2HD1      LEU   6   2.010   6.538  -5.466
   59   HD13  LEU   6          3HD1      LEU   6   1.811   4.787  -5.540
   60   HD21  LEU   6          1HD2      LEU   6   4.423   5.445  -2.971
   61   HD22  LEU   6          2HD2      LEU   6   2.675   5.546  -3.183
   62   HD23  LEU   6          3HD2      LEU   6   3.687   6.953  -3.513
   63    H    ARG   7           H        ARG   7   6.814   4.367  -6.298
   64    HA   ARG   7           HA       ARG   7   6.633   6.755  -7.668
   65    HB2  ARG   7          2HB       ARG   7   8.588   5.695  -6.291
   66    HB3  ARG   7          3HB       ARG   7   9.130   5.110  -7.858
   67    HG2  ARG   7          2HG       ARG   7  10.286   7.116  -7.502
   68    HG3  ARG   7          3HG       ARG   7   9.000   7.516  -8.642
   69    HD2  ARG   7          2HD       ARG   7   7.677   8.498  -6.907
   70    HD3  ARG   7          3HD       ARG   7   8.786   7.920  -5.665
   71    HE   ARG   7           HE       ARG   7  10.343   9.486  -7.248
   72   HH11  ARG   7          1HH1      ARG   7   7.336   9.967  -5.562
   73   HH12  ARG   7          2HH1      ARG   7   7.601  11.659  -5.303
   74   HH21  ARG   7          1HH2      ARG   7  10.704  11.713  -6.913
   75   HH22  ARG   7          2HH2      ARG   7   9.517  12.651  -6.072
   76    H    LYS   8           H        LYS   8   7.413   3.542  -8.939
   77    HA   LYS   8           HA       LYS   8   8.110   4.167 -11.527
   78    HB2  LYS   8          2HB       LYS   8   6.746   1.821 -10.276
   79    HB3  LYS   8          3HB       LYS   8   6.840   1.906 -12.031
   80    HG2  LYS   8          2HG       LYS   8   9.225   1.939 -11.973
   81    HG3  LYS   8          3HG       LYS   8   9.231   2.108 -10.216
   82    HD2  LYS   8          2HD       LYS   8   9.675  -0.155 -10.543
   83    HD3  LYS   8          3HD       LYS   8   7.940  -0.124 -10.217
   84    HE2  LYS   8          2HE       LYS   8   7.610  -0.048 -12.726
   85    HE3  LYS   8          3HE       LYS   8   9.329  -0.414 -12.872
   86    HZ1  LYS   8          1HZ       LYS   8   7.309  -2.098 -11.492
   87    HZ2  LYS   8          2HZ       LYS   8   8.959  -2.449 -11.615
   88    HZ3  LYS   8          3HZ       LYS   8   7.995  -2.417 -13.005
   89    H    ILE   9           H        ILE   9   4.851   3.752 -10.192
   90    HA   ILE   9           HA       ILE   9   3.440   4.075 -12.600
   91    HB   ILE   9           HB       ILE   9   2.497   4.831  -9.833
   92   HG12  ILE   9          2HG1      ILE   9   3.330   2.522  -9.894
   93   HG13  ILE   9          3HG1      ILE   9   1.578   2.557  -9.720
   94   HG21  ILE   9          1HG2      ILE   9   0.894   3.984 -12.239
   95   HG22  ILE   9          2HG2      ILE   9   0.278   4.550 -10.688
   96   HG23  ILE   9          3HG2      ILE   9   1.141   5.661 -11.752
   97   HD11  ILE   9          1HD1      ILE   9   2.347   0.829 -11.278
   98   HD12  ILE   9          2HD1      ILE   9   1.305   2.020 -12.057
   99   HD13  ILE   9          3HD1      ILE   9   3.051   2.082 -12.300
  100    H    VAL  10           H        VAL  10   4.496   6.421 -10.168
  101    HA   VAL  10           HA       VAL  10   3.211   8.682 -11.189
  102    HB   VAL  10           HB       VAL  10   5.904   8.617  -9.822
  103   HG11  VAL  10          1HG1      VAL  10   3.837  10.808  -9.855
  104   HG12  VAL  10          2HG1      VAL  10   5.472  10.880  -9.195
  105   HG13  VAL  10          3HG1      VAL  10   5.228  10.753 -10.937
  106   HG21  VAL  10          1HG2      VAL  10   3.117   8.666  -8.675
  107   HG22  VAL  10          2HG2      VAL  10   4.341   7.414  -8.460
  108   HG23  VAL  10          3HG2      VAL  10   4.577   9.010  -7.747
  109    H    ARG  11           H        ARG  11   6.520   7.509 -11.802
  110    HA   ARG  11           HA       ARG  11   7.345   9.475 -13.565
  111    HB2  ARG  11          2HB       ARG  11   8.640   7.468 -12.562
  112    HB3  ARG  11          3HB       ARG  11   8.081   6.593 -13.981
  113    HG2  ARG  11          2HG       ARG  11   9.532   9.204 -14.221
  114    HG3  ARG  11          3HG       ARG  11  10.392   7.670 -14.072
  115    HD2  ARG  11          2HD       ARG  11   8.952   6.879 -16.028
  116    HD3  ARG  11          3HD       ARG  11   8.542   8.578 -16.257
  117    HE   ARG  11           HE       ARG  11  11.267   8.546 -16.172
  118   HH11  ARG  11          1HH1      ARG  11   8.851   6.909 -18.071
  119   HH12  ARG  11          2HH1      ARG  11   9.859   6.772 -19.473
  120   HH21  ARG  11          1HH2      ARG  11  12.603   8.372 -18.012
  121   HH22  ARG  11          2HH2      ARG  11  11.993   7.604 -19.438
  122    H    ALA  12           H        ALA  12   5.822   6.354 -14.373
  123    HA   ALA  12           HA       ALA  12   5.672   6.752 -17.137
  124    HB1  ALA  12          1HB       ALA  12   3.636   5.122 -16.853
  125    HB2  ALA  12          2HB       ALA  12   5.284   4.569 -16.551
  126    HB3  ALA  12          3HB       ALA  12   4.238   5.002 -15.199
  127    H    LEU  13           H        LEU  13   3.271   7.422 -14.600
  128    HA   LEU  13           HA       LEU  13   1.205   8.330 -16.224
  129    HB2  LEU  13          2HB       LEU  13   2.006   8.765 -13.399
  130    HB3  LEU  13          3HB       LEU  13   0.792   9.846 -14.081
  131    HG   LEU  13           HG       LEU  13   0.511   6.849 -14.122
  132   HD11  LEU  13          1HD1      LEU  13  -0.714   6.914 -12.123
  133   HD12  LEU  13          2HD1      LEU  13  -0.779   8.676 -12.119
  134   HD13  LEU  13          3HD1      LEU  13   0.745   7.850 -11.795
  135   HD21  LEU  13          1HD2      LEU  13  -1.443   9.122 -14.458
  136   HD22  LEU  13          2HD2      LEU  13  -1.872   7.412 -14.404
  137   HD23  LEU  13          3HD2      LEU  13  -0.871   8.029 -15.719
  Start of MODEL    9
    1    H1   PHE   1           H        PHE   1   0.394  -1.353  -0.097
    2    HA   PHE   1           HA       PHE   1   1.964  -1.489  -1.802
    3    HB2  PHE   1          2HB       PHE   1   1.907   0.543  -3.130
    4    HB3  PHE   1          3HB       PHE   1   0.321   0.266  -2.417
    5    HD1  PHE   1           HD1      PHE   1  -0.639   1.817  -0.911
    6    HD2  PHE   1           HD2      PHE   1   3.388   2.296  -2.202
    7    HE1  PHE   1           HE1      PHE   1  -0.604   4.083   0.049
    8    HE2  PHE   1           HE2      PHE   1   3.430   4.562  -1.244
    9    HZ   PHE   1           HZ       PHE   1   1.432   5.458  -0.116
   10    H    LEU   2           H        LEU   2   3.962  -0.378  -2.812
   11    HA   LEU   2           HA       LEU   2   5.790   0.389  -0.631
   12    HB2  LEU   2          2HB       LEU   2   6.154  -1.400  -2.996
   13    HB3  LEU   2          3HB       LEU   2   7.543  -0.561  -2.309
   14    HG   LEU   2           HG       LEU   2   7.383  -2.843  -1.473
   15   HD11  LEU   2          1HD1      LEU   2   8.308  -1.082  -0.031
   16   HD12  LEU   2          2HD1      LEU   2   7.526  -2.362   0.896
   17   HD13  LEU   2          3HD1      LEU   2   6.705  -0.820   0.657
   18   HD21  LEU   2          1HD2      LEU   2   5.546  -3.677  -0.267
   19   HD22  LEU   2          2HD2      LEU   2   4.850  -2.899  -1.689
   20   HD23  LEU   2          3HD2      LEU   2   4.808  -2.081  -0.126
   21    HA   PRO   3           HA       PRO   3   6.826   4.083  -2.761
   22    HB2  PRO   3          2HB       PRO   3   9.484   4.305  -2.252
   23    HB3  PRO   3          3HB       PRO   3   8.245   4.568  -1.019
   24    HG2  PRO   3          2HG       PRO   3   9.919   2.141  -1.534
   25    HG3  PRO   3          3HG       PRO   3   9.494   2.899   0.011
   26    HD2  PRO   3          2HD       PRO   3   8.229   0.696  -0.927
   27    HD3  PRO   3          3HD       PRO   3   7.407   1.921   0.061
   28    H    LYS   4           H        LYS   4   9.063   1.391  -3.362
   29    HA   LYS   4           HA       LYS   4  10.204   2.417  -5.721
   30    HB2  LYS   4          2HB       LYS   4   9.880  -0.411  -4.715
   31    HB3  LYS   4          3HB       LYS   4  10.777  -0.008  -6.173
   32    HG2  LYS   4          2HG       LYS   4  11.433   1.235  -3.524
   33    HG3  LYS   4          3HG       LYS   4  12.096  -0.325  -4.017
   34    HD2  LYS   4          2HD       LYS   4  12.312   2.080  -5.796
   35    HD3  LYS   4          3HD       LYS   4  13.470   1.804  -4.493
   36    HE2  LYS   4          2HE       LYS   4  12.842  -0.327  -6.509
   37    HE3  LYS   4          3HE       LYS   4  14.040   0.923  -6.839
   38    HZ1  LYS   4          1HZ       LYS   4  14.099  -1.183  -4.771
   39    HZ2  LYS   4          2HZ       LYS   4  15.044   0.212  -4.618
   40    HZ3  LYS   4          3HZ       LYS   4  15.263  -0.817  -5.943
   41    H    ILE   5           H        ILE   5   7.527   0.122  -5.241
   42    HA   ILE   5           HA       ILE   5   6.944  -0.129  -8.014
   43    HB   ILE   5           HB       ILE   5   4.842  -1.192  -7.279
   44   HG12  ILE   5          2HG1      ILE   5   4.942  -1.574  -4.622
   45   HG13  ILE   5          3HG1      ILE   5   5.662   0.030  -4.699
   46   HG21  ILE   5          1HG2      ILE   5   6.702  -2.634  -7.468
   47   HG22  ILE   5          2HG2      ILE   5   7.401  -2.051  -5.959
   48   HG23  ILE   5          3HG2      ILE   5   5.936  -3.032  -5.930
   49   HD11  ILE   5          1HD1      ILE   5   3.534   0.440  -6.257
   50   HD12  ILE   5          2HD1      ILE   5   2.895  -0.834  -5.219
   51   HD13  ILE   5          3HD1      ILE   5   3.510   0.657  -4.507
   52    H    LEU   6           H        LEU   6   5.818   1.987  -5.454
   53    HA   LEU   6           HA       LEU   6   3.594   3.057  -6.858
   54    HB2  LEU   6          2HB       LEU   6   3.519   3.353  -4.554
   55    HB3  LEU   6          3HB       LEU   6   5.191   3.905  -4.475
   56    HG   LEU   6           HG       LEU   6   4.529   6.037  -5.487
   57   HD11  LEU   6          1HD1      LEU   6   2.697   5.554  -6.847
   58   HD12  LEU   6          2HD1      LEU   6   2.006   6.481  -5.515
   59   HD13  LEU   6          3HD1      LEU   6   1.833   4.726  -5.551
   60   HD21  LEU   6          1HD2      LEU   6   2.656   5.552  -3.203
   61   HD22  LEU   6          2HD2      LEU   6   3.649   6.968  -3.553
   62   HD23  LEU   6          3HD2      LEU   6   4.402   5.485  -2.965
   63    H    ARG   7           H        ARG   7   6.853   4.365  -6.234
   64    HA   ARG   7           HA       ARG   7   6.654   6.717  -7.662
   65    HB2  ARG   7          2HB       ARG   7   8.605   5.719  -6.234
   66    HB3  ARG   7          3HB       ARG   7   9.178   5.107  -7.780
   67    HG2  ARG   7          2HG       ARG   7  10.298   7.139  -7.453
   68    HG3  ARG   7          3HG       ARG   7   9.023   7.492  -8.621
   69    HD2  ARG   7          2HD       ARG   7   7.654   8.481  -6.918
   70    HD3  ARG   7          3HD       ARG   7   8.774   7.968  -5.656
   71    HE   ARG   7           HE       ARG   7  10.002   9.661  -7.610
   72   HH11  ARG   7          1HH1      ARG   7   8.064   9.615  -4.719
   73   HH12  ARG   7          2HH1      ARG   7   8.542  11.203  -4.217
   74   HH21  ARG   7          1HH2      ARG   7  10.640  11.752  -6.959
   75   HH22  ARG   7          2HH2      ARG   7  10.007  12.418  -5.492
   76    H    LYS   8           H        LYS   8   7.500   3.488  -8.847
   77    HA   LYS   8           HA       LYS   8   8.224   4.062 -11.439
   78    HB2  LYS   8          2HB       LYS   8   7.928   1.783 -10.087
   79    HB3  LYS   8          3HB       LYS   8   6.433   1.722 -11.011
   80    HG2  LYS   8          2HG       LYS   8   9.049   2.219 -12.374
   81    HG3  LYS   8          3HG       LYS   8   8.537   0.581 -11.960
   82    HD2  LYS   8          2HD       LYS   8   6.722   2.437 -13.462
   83    HD3  LYS   8          3HD       LYS   8   7.961   1.500 -14.300
   84    HE2  LYS   8          2HE       LYS   8   5.930   0.258 -12.458
   85    HE3  LYS   8          3HE       LYS   8   5.654   0.464 -14.187
   86    HZ1  LYS   8          1HZ       LYS   8   7.890  -0.764 -14.406
   87    HZ2  LYS   8          2HZ       LYS   8   6.501  -1.660 -14.049
   88    HZ3  LYS   8          3HZ       LYS   8   7.598  -1.276 -12.820
   89    H    ILE   9           H        ILE   9   4.952   3.627 -10.141
   90    HA   ILE   9           HA       ILE   9   3.572   3.874 -12.575
   91    HB   ILE   9           HB       ILE   9   2.578   4.682  -9.841
   92   HG12  ILE   9          2HG1      ILE   9   3.445   2.386  -9.833
   93   HG13  ILE   9          3HG1      ILE   9   1.692   2.398  -9.684
   94   HG21  ILE   9          1HG2      ILE   9   0.375   4.351 -10.718
   95   HG22  ILE   9          2HG2      ILE   9   1.239   5.444 -11.798
   96   HG23  ILE   9          3HG2      ILE   9   1.021   3.753 -12.246
   97   HD11  ILE   9          1HD1      ILE   9   2.573   0.649 -11.198
   98   HD12  ILE   9          2HD1      ILE   9   1.436   1.754 -11.972
   99   HD13  ILE   9          3HD1      ILE   9   3.168   1.924 -12.260
  100    H    VAL  10           H        VAL  10   4.558   6.292 -10.185
  101    HA   VAL  10           HA       VAL  10   3.256   8.510 -11.278
  102    HB   VAL  10           HB       VAL  10   5.929   8.516  -9.870
  103   HG11  VAL  10          1HG1      VAL  10   3.831  10.676  -9.985
  104   HG12  VAL  10          2HG1      VAL  10   5.455  10.786  -9.303
  105   HG13  VAL  10          3HG1      VAL  10   5.239  10.616 -11.046
  106   HG21  VAL  10          1HG2      VAL  10   4.492   9.006  -7.843
  107   HG22  VAL  10          2HG2      VAL  10   3.116   8.459  -8.801
  108   HG23  VAL  10          3HG2      VAL  10   4.442   7.350  -8.448
  109    H    ARG  11           H        ARG  11   6.590   7.371 -11.814
  110    HA   ARG  11           HA       ARG  11   7.413   9.307 -13.611
  111    HB2  ARG  11          2HB       ARG  11   8.692   7.300 -12.536
  112    HB3  ARG  11          3HB       ARG  11   8.212   6.444 -13.996
  113    HG2  ARG  11          2HG       ARG  11   9.642   9.078 -14.100
  114    HG3  ARG  11          3HG       ARG  11  10.503   7.543 -13.980
  115    HD2  ARG  11          2HD       ARG  11   9.313   6.784 -16.025
  116    HD3  ARG  11          3HD       ARG  11   8.609   8.394 -16.165
  117    HE   ARG  11           HE       ARG  11  11.458   8.471 -16.007
  118   HH11  ARG  11          1HH1      ARG  11   8.775   7.921 -18.156
  119   HH12  ARG  11          2HH1      ARG  11   9.653   8.374 -19.579
  120   HH21  ARG  11          1HH2      ARG  11  12.625   9.069 -17.873
  121   HH22  ARG  11          2HH2      ARG  11  11.844   9.026 -19.417
  122    H    ALA  12           H        ALA  12   5.949   6.146 -14.366
  123    HA   ALA  12           HA       ALA  12   5.834   6.476 -17.140
  124    HB1  ALA  12          1HB       ALA  12   4.357   4.621 -17.178
  125    HB2  ALA  12          2HB       ALA  12   5.484   4.345 -15.849
  126    HB3  ALA  12          3HB       ALA  12   3.847   4.908 -15.514
  127    H    LEU  13           H        LEU  13   3.386   7.169 -14.656
  128    HA   LEU  13           HA       LEU  13   1.331   8.007 -16.332
  129    HB2  LEU  13          2HB       LEU  13   2.083   8.520 -13.506
  130    HB3  LEU  13          3HB       LEU  13   0.865   9.567 -14.231
  131    HG   LEU  13           HG       LEU  13   0.626   6.566 -14.207
  132   HD11  LEU  13          1HD1      LEU  13  -0.736   8.409 -12.270
  133   HD12  LEU  13          2HD1      LEU  13   0.809   7.644 -11.901
  134   HD13  LEU  13          3HD1      LEU  13  -0.612   6.650 -12.223
  135   HD21  LEU  13          1HD2      LEU  13  -1.436   8.745 -14.522
  136   HD22  LEU  13          2HD2      LEU  13  -1.707   7.006 -14.641
  137   HD23  LEU  13          3HD2      LEU  13  -0.720   7.830 -15.849
  Start of MODEL   10
    1    H1   PHE   1           H        PHE   1   1.329  -0.789   0.804
    2    HA   PHE   1           HA       PHE   1   2.019  -1.054  -1.448
    3    HB2  PHE   1          2HB       PHE   1   1.970   0.810  -3.010
    4    HB3  PHE   1          3HB       PHE   1   0.395   0.639  -2.243
    5    HD1  PHE   1           HD1      PHE   1  -0.532   2.378  -0.944
    6    HD2  PHE   1           HD2      PHE   1   3.497   2.633  -2.292
    7    HE1  PHE   1           HE1      PHE   1  -0.456   4.740  -0.259
    8    HE2  PHE   1           HE2      PHE   1   3.581   4.995  -1.609
    9    HZ   PHE   1           HZ       PHE   1   1.603   6.052  -0.590
   10    H    LEU   2           H        LEU   2   4.018  -0.173  -2.619
   11    HA   LEU   2           HA       LEU   2   5.929   0.772  -0.587
   12    HB2  LEU   2          2HB       LEU   2   6.172  -1.163  -2.851
   13    HB3  LEU   2          3HB       LEU   2   7.600  -0.307  -2.272
   14    HG   LEU   2           HG       LEU   2   7.443  -2.531  -1.293
   15   HD11  LEU   2          1HD1      LEU   2   8.447  -0.697   0.000
   16   HD12  LEU   2          2HD1      LEU   2   7.693  -1.911   1.033
   17   HD13  LEU   2          3HD1      LEU   2   6.878  -0.375   0.737
   18   HD21  LEU   2          1HD2      LEU   2   4.932  -1.645   0.101
   19   HD22  LEU   2          2HD2      LEU   2   5.646  -3.257   0.041
   20   HD23  LEU   2          3HD2      LEU   2   4.906  -2.566  -1.403
   21    HA   PRO   3           HA       PRO   3   6.917   4.316  -2.980
   22    HB2  PRO   3          2HB       PRO   3   9.592   4.540  -2.576
   23    HB3  PRO   3          3HB       PRO   3   8.398   4.894  -1.321
   24    HG2  PRO   3          2HG       PRO   3  10.032   2.420  -1.738
   25    HG3  PRO   3          3HG       PRO   3   9.667   3.279  -0.230
   26    HD2  PRO   3          2HD       PRO   3   8.351   1.036  -0.984
   27    HD3  PRO   3          3HD       PRO   3   7.575   2.329  -0.048
   28    H    LYS   4           H        LYS   4   9.073   1.545  -3.493
   29    HA   LYS   4           HA       LYS   4  10.160   2.410  -5.944
   30    HB2  LYS   4          2HB       LYS   4  10.777   0.411  -4.300
   31    HB3  LYS   4          3HB       LYS   4   9.786  -0.502  -5.431
   32    HG2  LYS   4          2HG       LYS   4  11.261   0.523  -7.256
   33    HG3  LYS   4          3HG       LYS   4  12.355   0.952  -5.939
   34    HD2  LYS   4          2HD       LYS   4  13.161  -1.111  -6.658
   35    HD3  LYS   4          3HD       LYS   4  12.163  -1.528  -5.263
   36    HE2  LYS   4          2HE       LYS   4  10.285  -1.976  -6.866
   37    HE3  LYS   4          3HE       LYS   4  11.444  -1.775  -8.179
   38    HZ1  LYS   4          1HZ       LYS   4  12.775  -3.561  -6.972
   39    HZ2  LYS   4          2HZ       LYS   4  11.385  -4.054  -7.800
   40    HZ3  LYS   4          3HZ       LYS   4  11.352  -3.887  -6.116
   41    H    ILE   5           H        ILE   5   7.458   0.207  -5.237
   42    HA   ILE   5           HA       ILE   5   6.778  -0.192  -7.973
   43    HB   ILE   5           HB       ILE   5   4.684  -1.178  -7.102
   44   HG12  ILE   5          2HG1      ILE   5   4.901  -1.439  -4.436
   45   HG13  ILE   5          3HG1      ILE   5   5.640   0.148  -4.621
   46   HG21  ILE   5          1HG2      ILE   5   5.683  -3.096  -6.174
   47   HG22  ILE   5          2HG2      ILE   5   6.908  -2.393  -7.229
   48   HG23  ILE   5          3HG2      ILE   5   7.013  -2.167  -5.483
   49   HD11  ILE   5          1HD1      ILE   5   3.454   0.531  -6.094
   50   HD12  ILE   5          2HD1      ILE   5   2.839  -0.697  -4.987
   51   HD13  ILE   5          3HD1      ILE   5   3.503   0.809  -4.354
   52    H    LEU   6           H        LEU   6   5.767   2.069  -5.490
   53    HA   LEU   6           HA       LEU   6   3.509   3.095  -6.876
   54    HB2  LEU   6          2HB       LEU   6   3.854   3.332  -4.450
   55    HB3  LEU   6          3HB       LEU   6   5.214   4.409  -4.763
   56    HG   LEU   6           HG       LEU   6   3.007   5.478  -4.086
   57   HD11  LEU   6          1HD1      LEU   6   5.025   6.526  -5.309
   58   HD12  LEU   6          2HD1      LEU   6   3.493   7.398  -5.287
   59   HD13  LEU   6          3HD1      LEU   6   3.975   6.500  -6.726
   60   HD21  LEU   6          1HD2      LEU   6   1.376   5.820  -5.859
   61   HD22  LEU   6          2HD2      LEU   6   1.558   4.102  -5.502
   62   HD23  LEU   6          3HD2      LEU   6   2.314   4.790  -6.940
   63    H    ARG   7           H        ARG   7   6.816   4.351  -6.445
   64    HA   ARG   7           HA       ARG   7   6.617   6.654  -7.947
   65    HB2  ARG   7          2HB       ARG   7   8.607   5.691  -6.585
   66    HB3  ARG   7          3HB       ARG   7   9.070   4.928  -8.101
   67    HG2  ARG   7          2HG       ARG   7  10.295   6.923  -7.998
   68    HG3  ARG   7          3HG       ARG   7   8.979   7.242  -9.129
   69    HD2  ARG   7          2HD       ARG   7   7.808   8.544  -7.574
   70    HD3  ARG   7          3HD       ARG   7   8.737   7.913  -6.215
   71    HE   ARG   7           HE       ARG   7  10.356   9.341  -8.093
   72   HH11  ARG   7          1HH1      ARG   7   8.201   9.682  -5.380
   73   HH12  ARG   7          2HH1      ARG   7   8.868  11.199  -4.874
   74   HH21  ARG   7          1HH2      ARG   7  11.242  11.338  -7.438
   75   HH22  ARG   7          2HH2      ARG   7  10.597  12.141  -6.046
   76    H    LYS   8           H        LYS   8   7.334   3.367  -9.065
   77    HA   LYS   8           HA       LYS   8   7.909   3.849 -11.714
   78    HB2  LYS   8          2HB       LYS   8   6.438   1.560 -10.415
   79    HB3  LYS   8          3HB       LYS   8   6.852   1.565 -12.124
   80    HG2  LYS   8          2HG       LYS   8   8.916   1.941  -9.979
   81    HG3  LYS   8          3HG       LYS   8   8.427   0.347 -10.557
   82    HD2  LYS   8          2HD       LYS   8   9.306   0.704 -12.673
   83    HD3  LYS   8          3HD       LYS   8   9.264   2.461 -12.503
   84    HE2  LYS   8          2HE       LYS   8  11.525   1.966 -12.312
   85    HE3  LYS   8          3HE       LYS   8  11.003   2.095 -10.633
   86    HZ1  LYS   8          1HZ       LYS   8  12.447   0.123 -11.252
   87    HZ2  LYS   8          2HZ       LYS   8  11.089  -0.505 -12.040
   88    HZ3  LYS   8          3HZ       LYS   8  11.040  -0.212 -10.374
   89    H    ILE   9           H        ILE   9   4.721   3.499 -10.204
   90    HA   ILE   9           HA       ILE   9   3.196   3.674 -12.558
   91    HB   ILE   9           HB       ILE   9   2.377   4.582  -9.797
   92   HG12  ILE   9          2HG1      ILE   9   3.224   2.278  -9.766
   93   HG13  ILE   9          3HG1      ILE   9   1.483   2.314  -9.511
   94   HG21  ILE   9          1HG2      ILE   9   0.122   4.243 -10.528
   95   HG22  ILE   9          2HG2      ILE   9   0.927   5.295 -11.691
   96   HG23  ILE   9          3HG2      ILE   9   0.670   3.593 -12.073
   97   HD11  ILE   9          1HD1      ILE   9   2.247   0.506 -11.015
   98   HD12  ILE   9          2HD1      ILE   9   1.084   1.603 -11.762
   99   HD13  ILE   9          3HD1      ILE   9   2.799   1.736 -12.152
  100    H    VAL  10           H        VAL  10   4.346   6.160 -10.316
  101    HA   VAL  10           HA       VAL  10   2.998   8.353 -11.402
  102    HB   VAL  10           HB       VAL  10   5.752   8.380 -10.162
  103   HG11  VAL  10          1HG1      VAL  10   3.669  10.556 -10.221
  104   HG12  VAL  10          2HG1      VAL  10   5.333  10.672  -9.645
  105   HG13  VAL  10          3HG1      VAL  10   5.008  10.445 -11.364
  106   HG21  VAL  10          1HG2      VAL  10   3.019   8.458  -8.897
  107   HG22  VAL  10          2HG2      VAL  10   4.284   7.255  -8.650
  108   HG23  VAL  10          3HG2      VAL  10   4.504   8.900  -8.055
  109    H    ARG  11           H        ARG  11   6.283   7.164 -12.103
  110    HA   ARG  11           HA       ARG  11   7.009   9.030 -14.012
  111    HB2  ARG  11          2HB       ARG  11   8.335   7.045 -12.951
  112    HB3  ARG  11          3HB       ARG  11   7.759   6.147 -14.349
  113    HG2  ARG  11          2HG       ARG  11   9.867   6.924 -14.972
  114    HG3  ARG  11          3HG       ARG  11   8.740   8.034 -15.754
  115    HD2  ARG  11          2HD       ARG  11   9.088   9.670 -14.003
  116    HD3  ARG  11          3HD       ARG  11  10.129   8.548 -13.127
  117    HE   ARG  11           HE       ARG  11  11.848   9.067 -14.559
  118   HH11  ARG  11          1HH1      ARG  11   8.853  10.293 -15.841
  119   HH12  ARG  11          2HH1      ARG  11   9.616  11.213 -17.096
  120   HH21  ARG  11          1HH2      ARG  11  12.864  10.273 -16.207
  121   HH22  ARG  11          2HH2      ARG  11  11.897  11.200 -17.304
  122    H    ALA  12           H        ALA  12   5.474   5.861 -14.568
  123    HA   ALA  12           HA       ALA  12   5.191   6.100 -17.340
  124    HB1  ALA  12          1HB       ALA  12   4.897   4.023 -15.931
  125    HB2  ALA  12          2HB       ALA  12   3.276   4.611 -15.562
  126    HB3  ALA  12          3HB       ALA  12   3.725   4.250 -17.229
  127    H    LEU  13           H        LEU  13   2.907   6.901 -14.735
  128    HA   LEU  13           HA       LEU  13   0.760   7.705 -16.308
  129    HB2  LEU  13          2HB       LEU  13   1.689   8.304 -13.553
  130    HB3  LEU  13          3HB       LEU  13   0.437   9.338 -14.237
  131    HG   LEU  13           HG       LEU  13   0.177   6.342 -14.095
  132   HD11  LEU  13          1HD1      LEU  13  -0.933   6.505 -12.043
  133   HD12  LEU  13          2HD1      LEU  13  -1.051   8.262 -12.143
  134   HD13  LEU  13          3HD1      LEU  13   0.511   7.499 -11.843
  135   HD21  LEU  13          1HD2      LEU  13  -2.092   6.694 -14.565
  136   HD22  LEU  13          2HD2      LEU  13  -1.235   7.767 -15.672
  137   HD23  LEU  13          3HD2      LEU  13  -1.988   8.420 -14.216