*HEADER    ANTIMICROBIAL PROTEIN                   13-JUN-18   6GS5              
*TITLE     NMR STRUCTURE OF TEMPORIN L IN SDS MICELLES                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TEMPORIN-L;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: TEMPORINL IS AN ANTIMICROBIAL PEPTIDE FOUND IN RANA   
*COMPND   6 TEMPORARIA.                                                          
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: RANA TEMPORARIA;                                
*SOURCE   4 ORGANISM_COMMON: EUROPEAN COMMON FROG;                               
*SOURCE   5 ORGANISM_TAXID: 8407                                                 
*KEYWDS    AMP, TEMPORIN L, ANTIMICROBIAL PROTEIN, SDS MICELLE                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.MANZO,J.A.MASON                                                     
*REVDAT   1   18-JUL-18 6GS5    0                                                
# Restraints file 1: Cycle7_1_2rr.upl
! Distance constraint file from UNIO
! UNIO version 2.0.3
! File format   : cns
! File generated: 2018 June 11th, 20:08:57

assign  ((resid    3 and name HN   )) ((resid    6 and name HN   ))   5.50  3.70  0.00 ! #SUP  7.32
assign  ((resid    3 and name HN   )) ((resid    4 and name HN   ))   3.45  1.65  0.00 ! #SUP  9.95
assign  ((resid    3 and name HN   )) ((resid    5 and name HN   ))   4.99  3.19  0.00 ! #SUP  7.94
assign  ((resid    3 and name HN   )) ((resid    4 and name HA   ))   4.97  3.17  0.00 ! #SUP  6.41
assign  ((resid    3 and name HN   )) ((resid    3 and name HA   ))   3.12  1.32  0.00 ! #SUP  6.17
assign  ((resid    2 and name HA   )) ((resid    3 and name HN   ))   2.83  1.03  0.00 ! #SUP  8.49
assign  ((resid    3 and name HN   )) ((resid    4 and name HB2  ))   4.61  2.81  0.00 ! #SUP  8.15
assign  ((resid    3 and name HN   )) ((resid    4 and name HB1  ))   5.23  3.43  0.00 ! #SUP  7.02
assign  ((resid    3 and name HN   )) ((resid    3 and name HG*  ))   3.43  1.63  0.00 ! #SUP  8.06
assign  ((resid    3 and name HN   )) ((resid    3 and name HB*  ))   2.91  1.11  0.00 ! #SUP  8.06
assign  ((resid    2 and name HG*  )) ((resid    3 and name HN   ))   3.55  1.75  0.00 ! #SUP  8.91
assign  ((resid    9 and name HN   )) ((resid   10 and name HN   ))   3.40  1.60  0.00 ! #SUP  8.71
assign  ((resid    8 and name HN   )) ((resid    9 and name HN   ))   3.40  1.60  0.00 ! #SUP  9.57
assign  ((resid    8 and name HA   )) ((resid    9 and name HN   ))   3.94  2.14  0.00 ! #SUP  6.16
assign  ((resid    5 and name HA   )) ((resid    9 and name HN   ))   4.55  2.75  0.00 ! #SUP  2.13
assign  ((resid    6 and name HA   )) ((resid    9 and name HN   ))   3.77  1.97  0.00 ! #SUP  6.84
assign  ((resid    9 and name HN   )) ((resid    9 and name HA   ))   3.24  1.44  0.00 ! #SUP  8.66
assign  ((resid    8 and name HB2  )) ((resid    9 and name HN   ))   3.47  1.67  0.00 ! #SUP  8.18
assign  ((resid    8 and name HB1  )) ((resid    9 and name HN   ))   3.56  1.76  0.00 ! #SUP  9.19
assign  ((resid    7 and name HB*  )) ((resid    9 and name HN   ))   5.20  3.40  0.00 ! #SUP  5.11
assign  ((resid    9 and name HN   )) ((resid    9 and name HB2  ))   3.02  1.22  0.00 ! #SUP  8.13
assign  ((resid    9 and name HN   )) ((resid    9 and name HG   ))   3.53  1.73  0.00 ! #SUP  7.06
assign  ((resid    9 and name HN   )) ((resid   12 and name HG11 ))   5.50  3.70  0.00 ! #SUP  4.24
assign  ((resid    9 and name HN   )) ((resid   13 and name HD*  ))   5.42  3.62  0.00 ! #SUP  3.87
assign  ((resid    9 and name HN   )) ((resid    9 and name HD*  ))   3.79  1.99  0.00 ! #SUP  9.02
assign  ((resid    9 and name HN   )) ((resid   12 and name HD1* ))   5.50  3.70  0.00 ! #SUP  5.98
assign  ((resid    3 and name HN   )) ((resid    6 and name HN   ))   5.50  3.70  0.00 ! #SUP  7.32
assign  ((resid    4 and name HA   )) ((resid    6 and name HN   ))   4.64  2.84  0.00 ! #SUP 10.00
assign  ((resid    6 and name HN   )) ((resid    6 and name HB*  ))   2.86  1.06  0.00 ! #SUP  5.08
assign  ((resid    5 and name HB1  )) ((resid    6 and name HN   ))   3.55  1.75  0.00 ! #SUP  8.59
assign  ((resid    3 and name HG*  )) ((resid    6 and name HN   ))   5.45  3.65  0.00 ! #SUP  7.57
assign  ((resid    3 and name HB*  )) ((resid    6 and name HN   ))   5.01  3.21  0.00 ! #SUP  9.16
assign  ((resid    6 and name HN   )) ((resid    7 and name HB*  ))   4.74  2.94  0.00 ! #SUP  4.81
assign  ((resid    6 and name HN   )) ((resid    7 and name HN   ))   3.47  1.67  0.00 ! #SUP  7.50
assign  ((resid    5 and name HN   )) ((resid    6 and name HN   ))   3.30  1.50  0.00 ! #SUP  8.55
assign  ((resid    3 and name HA   )) ((resid    6 and name HN   ))   3.72  1.92  0.00 ! #SUP  6.44
assign  ((resid    4 and name HB2  )) ((resid    6 and name HN   ))   5.14  3.34  0.00 ! #SUP  8.24
assign  ((resid    4 and name HB1  )) ((resid    6 and name HN   ))   5.50  3.70  0.00 ! #SUP 10.00
assign  ((resid    5 and name HB2  )) ((resid    6 and name HN   ))   3.86  2.06  0.00 ! #SUP  6.16
assign  ((resid    6 and name HA   )) ((resid   10 and name HN   ))   3.85  2.05  0.00 ! #SUP  7.81
assign  ((resid   10 and name HN   )) ((resid   10 and name HA1  ))   2.91  1.11  0.00 ! #SUP  4.73
assign  ((resid   10 and name HN   )) ((resid   10 and name HA2  ))   2.90  1.10  0.00 ! #SUP  4.62
assign  ((resid    7 and name HB*  )) ((resid   10 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.77
assign  ((resid    9 and name HB2  )) ((resid   10 and name HN   ))   3.55  1.75  0.00 ! #SUP  7.36
assign  ((resid    9 and name HG   )) ((resid   10 and name HN   ))   3.85  2.05  0.00 ! #SUP  7.30
assign  ((resid   10 and name HN   )) ((resid   11 and name HB*  ))   4.79  2.99  0.00 ! #SUP  3.91
assign  ((resid   12 and name HN   )) ((resid   13 and name HN   ))   3.10  1.30  0.00 ! #SUP 10.00
assign  ((resid   13 and name HN   )) ((resid   13 and name HA   ))   3.39  1.59  0.00 ! #SUP  8.01
assign  ((resid   11 and name HA   )) ((resid   13 and name HN   ))   4.93  3.13  0.00 ! #SUP  4.06
assign  ((resid   12 and name HA   )) ((resid   13 and name HN   ))   3.76  1.96  0.00 ! #SUP  9.51
assign  ((resid    7 and name HB*  )) ((resid   10 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.77
assign  ((resid   13 and name HN   )) ((resid   13 and name HB1  ))   2.99  1.19  0.00 ! #SUP  7.31
assign  ((resid   13 and name HN   )) ((resid   13 and name HG   ))   4.46  2.66  0.00 ! #SUP  7.25
assign  ((resid   12 and name HG11 )) ((resid   13 and name HN   ))   3.99  2.19  0.00 ! #SUP  9.10
assign  ((resid   12 and name HG12 )) ((resid   13 and name HN   ))   4.32  2.52  0.00 ! #SUP  9.92
assign  ((resid   13 and name HN   )) ((resid   13 and name HD*  ))   3.88  2.08  0.00 ! #SUP  8.58
assign  ((resid   12 and name HD1* )) ((resid   13 and name HN   ))   4.98  3.18  0.00 ! #SUP  9.46
assign  ((resid    8 and name HN   )) ((resid   10 and name HN   ))   4.13  2.33  0.00 ! #SUP 10.00
assign  ((resid    7 and name HN   )) ((resid    8 and name HN   ))   3.47  1.67  0.00 ! #SUP 10.00
assign  ((resid    8 and name HN   )) ((resid   11 and name HN   ))   5.14  3.34  0.00 ! #SUP  8.11
assign  ((resid    8 and name HN   )) ((resid    8 and name HA   ))   3.35  1.55  0.00 ! #SUP  7.19
assign  ((resid    5 and name HA   )) ((resid    8 and name HN   ))   4.10  2.30  0.00 ! #SUP  4.23
assign  ((resid    7 and name HA   )) ((resid    8 and name HN   ))   3.73  1.93  0.00 ! #SUP  6.43
assign  ((resid    6 and name HB*  )) ((resid    8 and name HN   ))   5.16  3.36  0.00 ! #SUP  6.03
assign  ((resid    8 and name HN   )) ((resid    9 and name HA   ))   4.90  3.10  0.00 ! #SUP  7.91
assign  ((resid    8 and name HN   )) ((resid   11 and name HD2  ))   5.50  3.70  0.00 ! #SUP  3.40
assign  ((resid    8 and name HN   )) ((resid    8 and name HB2  ))   3.15  1.35  0.00 ! #SUP  8.81
assign  ((resid    8 and name HN   )) ((resid    8 and name HB1  ))   3.09  1.29  0.00 ! #SUP  9.86
assign  ((resid    7 and name HB*  )) ((resid    8 and name HN   ))   3.38  1.58  0.00 ! #SUP 10.00
assign  ((resid    8 and name HN   )) ((resid    9 and name HB2  ))   4.41  2.61  0.00 ! #SUP  8.05
assign  ((resid    7 and name HG2  )) ((resid    8 and name HN   ))   4.89  3.09  0.00 ! #SUP  7.23
assign  ((resid    7 and name HG1  )) ((resid    8 and name HN   ))   5.34  3.54  0.00 ! #SUP  7.05
assign  ((resid    8 and name HN   )) ((resid    9 and name HD*  ))   5.40  3.60  0.00 ! #SUP  9.26
assign  ((resid    2 and name HN   )) ((resid    3 and name HN   ))   4.21  2.41  0.00 ! #SUP  4.75
assign  ((resid    1 and name HA   )) ((resid    2 and name HN   ))   3.63  1.83  0.00 ! #SUP  2.24
assign  ((resid    2 and name HN   )) ((resid    2 and name HA   ))   3.81  2.01  0.00 ! #SUP  5.28
assign  ((resid    1 and name HB*  )) ((resid    2 and name HN   ))   3.83  2.03  0.00 ! #SUP  3.92
assign  ((resid    2 and name HN   )) ((resid    2 and name HB   ))   3.79  1.99  0.00 ! #SUP  3.87
assign  ((resid    2 and name HN   )) ((resid    2 and name HG*  ))   3.59  1.79  0.00 ! #SUP  5.39
assign  ((resid    7 and name HN   )) ((resid    9 and name HD*  ))   5.50  3.70  0.00 ! #SUP  4.22
assign  ((resid    6 and name HN   )) ((resid    7 and name HN   ))   3.45  1.65  0.00 ! #SUP  7.50
assign  ((resid    7 and name HN   )) ((resid    8 and name HN   ))   3.43  1.63  0.00 ! #SUP 10.00
assign  ((resid    5 and name HN   )) ((resid    7 and name HN   ))   4.87  3.07  0.00 ! #SUP  4.30
assign  ((resid    4 and name HA   )) ((resid    7 and name HN   ))   4.12  2.32  0.00 ! #SUP  7.62
assign  ((resid    5 and name HA   )) ((resid    7 and name HN   ))   4.67  2.87  0.00 ! #SUP  5.94
assign  ((resid    7 and name HN   )) ((resid    7 and name HA   ))   3.22  1.42  0.00 ! #SUP  7.45
assign  ((resid    6 and name HB*  )) ((resid    7 and name HN   ))   3.57  1.77  0.00 ! #SUP  7.81
assign  ((resid    5 and name HB1  )) ((resid    7 and name HN   ))   5.31  3.51  0.00 ! #SUP  5.19
assign  ((resid    3 and name HB*  )) ((resid    7 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.18
assign  ((resid    7 and name HN   )) ((resid    7 and name HB*  ))   3.11  1.31  0.00 ! #SUP 10.00
assign  ((resid    7 and name HN   )) ((resid    7 and name HD*  ))   4.67  2.87  0.00 ! #SUP  7.43
assign  ((resid    7 and name HN   )) ((resid    7 and name HG2  ))   3.80  2.00  0.00 ! #SUP  8.18
assign  ((resid    3 and name HN   )) ((resid    4 and name HN   ))   3.60  1.80  0.00 ! #SUP  9.95
assign  ((resid    4 and name HN   )) ((resid    6 and name HN   ))   5.21  3.41  0.00 ! #SUP  9.56
assign  ((resid    4 and name HN   )) ((resid    5 and name HN   ))   3.53  1.73  0.00 ! #SUP  9.24
assign  ((resid    4 and name HN   )) ((resid    4 and name HA   ))   3.47  1.67  0.00 ! #SUP  7.18
assign  ((resid    3 and name HA   )) ((resid    4 and name HN   ))   3.60  1.80  0.00 ! #SUP  5.89
assign  ((resid    2 and name HA   )) ((resid    4 and name HN   ))   4.57  2.77  0.00 ! #SUP  9.11
assign  ((resid    4 and name HN   )) ((resid    4 and name HB2  ))   3.41  1.61  0.00 ! #SUP  7.86
assign  ((resid    4 and name HN   )) ((resid    4 and name HB1  ))   3.42  1.62  0.00 ! #SUP  6.96
assign  ((resid    4 and name HN   )) ((resid    5 and name HB1  ))   5.50  3.70  0.00 ! #SUP  5.28
assign  ((resid    4 and name HN   )) ((resid    5 and name HB2  ))   5.45  3.65  0.00 ! #SUP  5.29
assign  ((resid    3 and name HG*  )) ((resid    4 and name HN   ))   4.30  2.50  0.00 ! #SUP  8.72
assign  ((resid    3 and name HB*  )) ((resid    4 and name HN   ))   3.68  1.88  0.00 ! #SUP  8.72
assign  ((resid    2 and name HB   )) ((resid    4 and name HN   ))   4.68  2.88  0.00 ! #SUP  6.31
assign  ((resid    2 and name HG*  )) ((resid    4 and name HN   ))   4.13  2.33  0.00 ! #SUP 10.00
assign  ((resid   12 and name HN   )) ((resid   13 and name HN   ))   3.00  1.20  0.00 ! #SUP 10.00
assign  ((resid    6 and name HA   )) ((resid   11 and name HN   ))   5.13  3.33  0.00 ! #SUP  3.55
assign  ((resid   12 and name HN   )) ((resid   12 and name HA   ))   3.34  1.54  0.00 ! #SUP  9.04
assign  ((resid   11 and name HN   )) ((resid   11 and name HB*  ))   2.86  1.06  0.00 ! #SUP  5.92
assign  ((resid   12 and name HN   )) ((resid   12 and name HB   ))   3.13  1.33  0.00 ! #SUP  7.59
assign  ((resid   11 and name HN   )) ((resid   11 and name HG2  ))   3.63  1.83  0.00 ! #SUP  6.77
assign  ((resid   11 and name HN   )) ((resid   11 and name HG1  ))   4.99  3.19  0.00 ! #SUP  6.07
assign  ((resid   12 and name HN   )) ((resid   12 and name HG11 ))   3.52  1.72  0.00 ! #SUP  8.52
assign  ((resid   12 and name HN   )) ((resid   12 and name HG12 ))   3.42  1.62  0.00 ! #SUP 10.00
assign  ((resid   12 and name HN   )) ((resid   13 and name HD*  ))   5.07  3.27  0.00 ! #SUP  7.50
assign  ((resid   12 and name HN   )) ((resid   12 and name HG2* ))   3.80  2.00  0.00 ! #SUP  8.70
assign  ((resid   12 and name HN   )) ((resid   12 and name HD1* ))   4.32  2.52  0.00 ! #SUP  9.06
assign  ((resid    8 and name HA   )) ((resid   11 and name HN   ))   4.23  2.43  0.00 ! #SUP  5.57
assign  ((resid   11 and name HN   )) ((resid   11 and name HA   ))   3.10  1.30  0.00 ! #SUP  5.18
assign  ((resid    4 and name HA   )) ((resid    5 and name HN   ))   3.93  2.13  0.00 ! #SUP  8.05
assign  ((resid    3 and name HG*  )) ((resid    5 and name HN   ))   5.50  3.70  0.00 ! #SUP  7.34
assign  ((resid    3 and name HN   )) ((resid    5 and name HN   ))   5.08  3.28  0.00 ! #SUP  7.94
assign  ((resid    5 and name HN   )) ((resid    6 and name HN   ))   3.35  1.55  0.00 ! #SUP  8.55
assign  ((resid    4 and name HN   )) ((resid    5 and name HN   ))   3.48  1.68  0.00 ! #SUP  9.24
assign  ((resid    4 and name HB2  )) ((resid    5 and name HN   ))   4.08  2.28  0.00 ! #SUP  8.58
assign  ((resid    4 and name HB1  )) ((resid    5 and name HN   ))   3.95  2.15  0.00 ! #SUP  8.37
assign  ((resid    5 and name HN   )) ((resid    5 and name HB1  ))   3.46  1.66  0.00 ! #SUP  6.14
assign  ((resid    5 and name HN   )) ((resid    5 and name HB2  ))   3.40  1.60  0.00 ! #SUP  5.85
assign  ((resid    3 and name HB*  )) ((resid    5 and name HN   ))   5.24  3.44  0.00 ! #SUP  7.76
assign  ((resid    2 and name HG*  )) ((resid    5 and name HN   ))   4.09  2.29  0.00 ! #SUP  7.78
assign  ((resid    1 and name HA   )) ((resid    2 and name HN   ))   5.31  3.51  0.00 ! #SUP  2.24
assign  ((resid    1 and name HA   )) ((resid    1 and name HB*  ))   3.91  2.11  0.00 ! #SUP  1.61
assign  ((resid    4 and name HN   )) ((resid    4 and name HA   ))   4.56  2.76  0.00 ! #SUP  7.18
assign  ((resid    4 and name HA   )) ((resid    5 and name HN   ))   4.88  3.08  0.00 ! #SUP  8.05
assign  ((resid    4 and name HA   )) ((resid    4 and name HB2  ))   3.98  2.18  0.00 ! #SUP  6.23
assign  ((resid    4 and name HA   )) ((resid    4 and name HB1  ))   3.95  2.15  0.00 ! #SUP  5.24
assign  ((resid    4 and name HA   )) ((resid    7 and name HB*  ))   4.85  3.05  0.00 ! #SUP  5.62
assign  ((resid    8 and name HA   )) ((resid    9 and name HN   ))   5.18  3.38  0.00 ! #SUP  6.16
assign  ((resid    8 and name HN   )) ((resid    8 and name HA   ))   4.56  2.76  0.00 ! #SUP  7.19
assign  ((resid    8 and name HA   )) ((resid    8 and name HB2  ))   4.23  2.43  0.00 ! #SUP  5.21
assign  ((resid    8 and name HA   )) ((resid    8 and name HB1  ))   4.03  2.23  0.00 ! #SUP  5.64
assign  ((resid    8 and name HA   )) ((resid   11 and name HB*  ))   5.07  3.27  0.00 ! #SUP  5.61
assign  ((resid   13 and name HN   )) ((resid   13 and name HA   ))   4.65  2.85  0.00 ! #SUP  8.01
assign  ((resid   13 and name HA   )) ((resid   13 and name HB2  ))   4.28  2.48  0.00 ! #SUP  4.79
assign  ((resid   13 and name HA   )) ((resid   13 and name HG   ))   4.36  2.56  0.00 ! #SUP  4.95
assign  ((resid   13 and name HA   )) ((resid   13 and name HD*  ))   4.07  2.27  0.00 ! #SUP  6.16
assign  ((resid    3 and name HN   )) ((resid    3 and name HA   ))   4.19  2.39  0.00 ! #SUP  6.17
assign  ((resid    3 and name HA   )) ((resid    6 and name HN   ))   5.12  3.32  0.00 ! #SUP  6.44
assign  ((resid    3 and name HA   )) ((resid    4 and name HN   ))   4.73  2.93  0.00 ! #SUP  5.89
assign  ((resid    3 and name HA   )) ((resid    3 and name HG*  ))   4.34  2.54  0.00 ! #SUP  5.05
assign  ((resid    3 and name HA   )) ((resid    3 and name HB*  ))   3.78  1.98  0.00 ! #SUP  4.98
assign  ((resid    2 and name HG*  )) ((resid    3 and name HA   ))   5.50  3.70  0.00 ! #SUP  5.61
assign  ((resid    5 and name HA   )) ((resid    8 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.23
assign  ((resid    5 and name HA   )) ((resid    5 and name HB1  ))   4.93  3.13  0.00 ! #SUP  4.63
assign  ((resid    5 and name HA   )) ((resid    5 and name HB2  ))   4.75  2.95  0.00 ! #SUP  3.96
assign  ((resid    5 and name HA   )) ((resid    7 and name HN   ))   5.50  3.70  0.00 ! #SUP  5.94
assign  ((resid   11 and name HN   )) ((resid   11 and name HA   ))   3.87  2.07  0.00 ! #SUP  5.18
assign  ((resid   11 and name HA   )) ((resid   11 and name HD2  ))   4.85  3.05  0.00 ! #SUP  4.82
assign  ((resid    4 and name HB1  )) ((resid    5 and name HA   ))   5.34  3.54  0.00 ! #SUP  4.65
assign  ((resid   11 and name HA   )) ((resid   11 and name HG2  ))   4.79  2.99  0.00 ! #SUP  7.58
assign  ((resid   11 and name HA   )) ((resid   11 and name HG1  ))   4.76  2.96  0.00 ! #SUP  6.81
assign  ((resid   11 and name HA   )) ((resid   11 and name HB*  ))   3.75  1.95  0.00 ! #SUP  6.90
assign  ((resid    6 and name HA   )) ((resid   10 and name HN   ))   5.06  3.26  0.00 ! #SUP  7.81
assign  ((resid    7 and name HA   )) ((resid    8 and name HN   ))   4.77  2.97  0.00 ! #SUP  6.43
assign  ((resid    7 and name HN   )) ((resid    7 and name HA   ))   3.93  2.13  0.00 ! #SUP  7.45
assign  ((resid    6 and name HA   )) ((resid   10 and name HA1  ))   5.50  3.70  0.00 ! #SUP  5.72
assign  ((resid    6 and name HA   )) ((resid   10 and name HA2  ))   5.50  3.70  0.00 ! #SUP  5.68
assign  ((resid    7 and name HA   )) ((resid    7 and name HB*  ))   3.53  1.73  0.00 ! #SUP  7.49
assign  ((resid    7 and name HA   )) ((resid    7 and name HG2  ))   4.57  2.77  0.00 ! #SUP  5.81
assign  ((resid    7 and name HA   )) ((resid    7 and name HG1  ))   4.33  2.53  0.00 ! #SUP  5.84
assign  ((resid    6 and name HN   )) ((resid    6 and name HA   ))   3.78  1.98  0.00 ! #SUP  4.44
assign  ((resid    6 and name HA   )) ((resid    9 and name HB2  ))   4.17  2.37  0.00 ! #SUP  7.66
assign  ((resid    6 and name HA   )) ((resid    9 and name HG   ))   4.75  2.95  0.00 ! #SUP  4.37
assign  ((resid    6 and name HA   )) ((resid    9 and name HD*  ))   4.57  2.77  0.00 ! #SUP  6.37
assign  ((resid    6 and name HN   )) ((resid    6 and name HB*  ))   3.35  1.55  0.00 ! #SUP  5.08
assign  ((resid    6 and name HB*  )) ((resid    7 and name HN   ))   4.08  2.28  0.00 ! #SUP  7.81
assign  ((resid    3 and name HA   )) ((resid    6 and name HB*  ))   4.46  2.66  0.00 ! #SUP  2.76
assign  ((resid    6 and name HB*  )) ((resid   10 and name HA1  ))   4.40  2.60  0.00 ! #SUP  2.47
assign  ((resid    3 and name HB*  )) ((resid    6 and name HB*  ))   5.09  3.29  0.00 ! #SUP  3.44
assign  ((resid   12 and name HA   )) ((resid   13 and name HN   ))   4.36  2.56  0.00 ! #SUP  9.51
assign  ((resid   12 and name HN   )) ((resid   12 and name HA   ))   3.78  1.98  0.00 ! #SUP  9.04
assign  ((resid   12 and name HA   )) ((resid   12 and name HB   ))   3.56  1.76  0.00 ! #SUP  7.31
assign  ((resid   12 and name HA   )) ((resid   12 and name HG11 ))   4.54  2.74  0.00 ! #SUP  8.14
assign  ((resid   12 and name HA   )) ((resid   12 and name HG12 ))   4.20  2.40  0.00 ! #SUP  9.82
assign  ((resid   12 and name HA   )) ((resid   13 and name HD*  ))   5.50  3.70  0.00 ! #SUP  7.25
assign  ((resid   12 and name HA   )) ((resid   12 and name HD1* ))   4.47  2.67  0.00 ! #SUP  8.76
assign  ((resid    2 and name HN   )) ((resid    2 and name HA   ))   4.12  2.32  0.00 ! #SUP  5.28
assign  ((resid    2 and name HA   )) ((resid    5 and name HB1  ))   4.88  3.08  0.00 ! #SUP  4.66
assign  ((resid    2 and name HA   )) ((resid    5 and name HB2  ))   5.37  3.57  0.00 ! #SUP  4.92
assign  ((resid    2 and name HA   )) ((resid    2 and name HB   ))   3.62  1.82  0.00 ! #SUP  4.16
assign  ((resid    2 and name HA   )) ((resid    2 and name HG*  ))   3.47  1.67  0.00 ! #SUP  6.31
assign  ((resid    2 and name HA   )) ((resid    3 and name HN   ))   3.35  1.55  0.00 ! #SUP  8.49
assign  ((resid    2 and name HA   )) ((resid    4 and name HN   ))   5.35  3.55  0.00 ! #SUP  9.11
assign  ((resid    1 and name HB*  )) ((resid    2 and name HA   ))   5.45  3.65  0.00 ! #SUP  3.74
assign  ((resid    2 and name HA   )) ((resid    3 and name HG*  ))   5.49  3.69  0.00 ! #SUP  6.17
assign  ((resid    2 and name HA   )) ((resid    3 and name HB*  ))   4.79  2.99  0.00 ! #SUP  6.60
assign  ((resid   10 and name HA1  )) ((resid   13 and name HD*  ))   5.50  3.70  0.00 ! #SUP  4.77
assign  ((resid    9 and name HN   )) ((resid   10 and name HA1  ))   5.47  3.67  0.00 ! #SUP  3.28
assign  ((resid   10 and name HN   )) ((resid   10 and name HA1  ))   3.41  1.61  0.00 ! #SUP  4.73
assign  ((resid   10 and name HA1  )) ((resid   11 and name HN   ))   4.17  2.37  0.00 ! #SUP  3.98
assign  ((resid   10 and name HA2  )) ((resid   10 and name HA1  ))   2.86  1.06  0.00 ! #SUP  2.88
assign  ((resid   10 and name HA1  )) ((resid   13 and name HB1  ))   5.30  3.50  0.00 ! #SUP  2.92
assign  ((resid    8 and name HB1  )) ((resid    9 and name HA   ))   5.50  3.70  0.00 ! #SUP  7.47
assign  ((resid    9 and name HN   )) ((resid    9 and name HA   ))   3.81  2.01  0.00 ! #SUP  8.66
assign  ((resid   10 and name HN   )) ((resid   10 and name HA2  ))   3.31  1.51  0.00 ! #SUP  4.62
assign  ((resid    9 and name HA   )) ((resid   12 and name HB   ))   4.21  2.41  0.00 ! #SUP  4.55
assign  ((resid   10 and name HA2  )) ((resid   13 and name HB1  ))   4.39  2.59  0.00 ! #SUP  3.14
assign  ((resid    9 and name HA   )) ((resid    9 and name HB2  ))   3.72  1.92  0.00 ! #SUP  7.28
assign  ((resid    9 and name HA   )) ((resid    9 and name HG   ))   3.74  1.94  0.00 ! #SUP  6.23
assign  ((resid    9 and name HA   )) ((resid   12 and name HG11 ))   4.64  2.84  0.00 ! #SUP  8.57
assign  ((resid    9 and name HA   )) ((resid   12 and name HG12 ))   4.31  2.51  0.00 ! #SUP  5.94
assign  ((resid    9 and name HA   )) ((resid   13 and name HD*  ))   4.79  2.99  0.00 ! #SUP  7.41
assign  ((resid    9 and name HA   )) ((resid    9 and name HD*  ))   3.47  1.67  0.00 ! #SUP  7.89
assign  ((resid    9 and name HA   )) ((resid   12 and name HD1* ))   4.73  2.93  0.00 ! #SUP 10.00
assign  ((resid    3 and name HB*  )) ((resid    4 and name HB2  ))   5.05  3.25  0.00 ! #SUP  7.25
assign  ((resid    1 and name HB*  )) ((resid    2 and name HN   ))   3.90  2.10  0.00 ! #SUP  3.92
assign  ((resid    4 and name HN   )) ((resid    4 and name HB2  ))   3.62  1.82  0.00 ! #SUP  7.86
assign  ((resid    4 and name HB2  )) ((resid    5 and name HN   ))   4.44  2.64  0.00 ! #SUP  8.58
assign  ((resid    1 and name HA   )) ((resid    1 and name HB*  ))   3.24  1.44  0.00 ! #SUP  1.61
assign  ((resid    1 and name HB*  )) ((resid    2 and name HA   ))   4.78  2.98  0.00 ! #SUP  3.74
assign  ((resid    1 and name HB*  )) ((resid    2 and name HG*  ))   4.27  2.47  0.00 ! #SUP  3.74
assign  ((resid    3 and name HN   )) ((resid    4 and name HB2  ))   4.84  3.04  0.00 ! #SUP  8.15
assign  ((resid    4 and name HB2  )) ((resid    6 and name HN   ))   5.50  3.70  0.00 ! #SUP  8.24
assign  ((resid    4 and name HA   )) ((resid    4 and name HB2  ))   3.29  1.49  0.00 ! #SUP  6.23
assign  ((resid    4 and name HB2  )) ((resid    5 and name HB2  ))   5.50  3.70  0.00 ! #SUP  4.64
assign  ((resid    3 and name HG*  )) ((resid    4 and name HB2  ))   5.50  3.70  0.00 ! #SUP  7.26
assign  ((resid   11 and name HD1  )) ((resid   11 and name HD2  ))   2.72  0.92  0.00 ! #SUP  4.37
assign  ((resid   11 and name HG1  )) ((resid   11 and name HD2  ))   4.09  2.29  0.00 ! #SUP  5.64
assign  ((resid   11 and name HA   )) ((resid   11 and name HD2  ))   4.26  2.46  0.00 ! #SUP  4.82
assign  ((resid   11 and name HB*  )) ((resid   11 and name HD2  ))   4.20  2.40  0.00 ! #SUP  5.55
assign  ((resid   11 and name HG2  )) ((resid   11 and name HD2  ))   4.11  2.31  0.00 ! #SUP  6.25
assign  ((resid    3 and name HN   )) ((resid    4 and name HB1  ))   5.50  3.70  0.00 ! #SUP  7.02
assign  ((resid    4 and name HN   )) ((resid    4 and name HB1  ))   3.58  1.78  0.00 ! #SUP  6.96
assign  ((resid    4 and name HB1  )) ((resid    5 and name HN   ))   4.17  2.37  0.00 ! #SUP  8.37
assign  ((resid    4 and name HA   )) ((resid    4 and name HB1  ))   3.24  1.44  0.00 ! #SUP  5.24
assign  ((resid   11 and name HD2  )) ((resid   11 and name HD1  ))   2.62  0.82  0.00 ! #SUP  4.37
assign  ((resid   11 and name HG2  )) ((resid   11 and name HD1  ))   4.11  2.31  0.00 ! #SUP  6.72
assign  ((resid   11 and name HG1  )) ((resid   11 and name HD1  ))   4.03  2.23  0.00 ! #SUP  5.98
assign  ((resid    2 and name HG*  )) ((resid    4 and name HB1  ))   5.06  3.26  0.00 ! #SUP  5.87
assign  ((resid    4 and name HB1  )) ((resid    5 and name HA   ))   4.31  2.51  0.00 ! #SUP  4.65
assign  ((resid   11 and name HB*  )) ((resid   11 and name HD1  ))   4.19  2.39  0.00 ! #SUP  5.95
assign  ((resid    8 and name HB2  )) ((resid    9 and name HA   ))   5.33  3.53  0.00 ! #SUP  6.55
assign  ((resid    8 and name HB2  )) ((resid    9 and name HN   ))   3.73  1.93  0.00 ! #SUP  8.18
assign  ((resid    8 and name HN   )) ((resid    8 and name HB2  ))   3.36  1.56  0.00 ! #SUP  8.81
assign  ((resid    7 and name HN   )) ((resid    8 and name HB2  ))   5.25  3.45  0.00 ! #SUP  6.06
assign  ((resid    8 and name HA   )) ((resid    8 and name HB2  ))   3.51  1.71  0.00 ! #SUP  5.21
assign  ((resid    5 and name HA   )) ((resid    8 and name HB2  ))   4.06  2.26  0.00 ! #SUP  2.25
assign  ((resid    8 and name HB1  )) ((resid    8 and name HB2  ))   2.83  1.03  0.00 ! #SUP  7.20
assign  ((resid    7 and name HB*  )) ((resid    8 and name HB2  ))   5.50  3.70  0.00 ! #SUP  6.74
assign  ((resid    8 and name HB2  )) ((resid    9 and name HD*  ))   5.50  3.70  0.00 ! #SUP  7.34
assign  ((resid    8 and name HB2  )) ((resid   10 and name HN   ))   5.50  3.70  0.00 ! #SUP  6.37
assign  ((resid    5 and name HB2  )) ((resid    5 and name HB1  ))   2.95  1.15  0.00 ! #SUP  4.86
assign  ((resid    4 and name HN   )) ((resid    5 and name HB1  ))   5.50  3.70  0.00 ! #SUP  5.28
assign  ((resid    5 and name HN   )) ((resid    5 and name HB1  ))   3.68  1.88  0.00 ! #SUP  6.14
assign  ((resid    5 and name HA   )) ((resid    5 and name HB1  ))   3.59  1.79  0.00 ! #SUP  4.63
assign  ((resid    2 and name HA   )) ((resid    5 and name HB1  ))   4.52  2.72  0.00 ! #SUP  4.66
assign  ((resid    8 and name HB1  )) ((resid    9 and name HA   ))   5.50  3.70  0.00 ! #SUP  7.47
assign  ((resid    2 and name HB   )) ((resid    5 and name HB1  ))   5.15  3.35  0.00 ! #SUP  4.74
assign  ((resid    2 and name HG*  )) ((resid    5 and name HB1  ))   4.41  2.61  0.00 ! #SUP  6.41
assign  ((resid    8 and name HB1  )) ((resid    9 and name HN   ))   3.60  1.80  0.00 ! #SUP  9.19
assign  ((resid    8 and name HB1  )) ((resid   10 and name HN   ))   5.50  3.70  0.00 ! #SUP  7.42
assign  ((resid    8 and name HN   )) ((resid    8 and name HB1  ))   3.27  1.47  0.00 ! #SUP  9.86
assign  ((resid    5 and name HB1  )) ((resid    7 and name HN   ))   5.09  3.29  0.00 ! #SUP  5.19
assign  ((resid    8 and name HA   )) ((resid    8 and name HB1  ))   3.30  1.50  0.00 ! #SUP  5.64
assign  ((resid    5 and name HB1  )) ((resid    6 and name HA   ))   4.93  3.13  0.00 ! #SUP  3.22
assign  ((resid    4 and name HB1  )) ((resid    5 and name HB1  ))   5.50  3.70  0.00 ! #SUP  5.25
assign  ((resid    7 and name HB*  )) ((resid    8 and name HB1  ))   5.44  3.64  0.00 ! #SUP  6.90
assign  ((resid    8 and name HB1  )) ((resid    9 and name HB2  ))   4.94  3.14  0.00 ! #SUP  7.16
assign  ((resid    8 and name HB1  )) ((resid   12 and name HG11 ))   5.50  3.70  0.00 ! #SUP  3.88
assign  ((resid    8 and name HB1  )) ((resid   12 and name HD1* ))   5.50  3.70  0.00 ! #SUP  5.51
assign  ((resid    7 and name HN   )) ((resid    7 and name HE*  ))   5.50  3.70  0.00 ! #SUP  7.17
assign  ((resid    7 and name HA   )) ((resid    7 and name HE*  ))   5.50  3.70  0.00 ! #SUP  5.12
assign  ((resid    7 and name HB*  )) ((resid    7 and name HE*  ))   5.25  3.45  0.00 ! #SUP  7.16
assign  ((resid    7 and name HD*  )) ((resid    7 and name HE*  ))   3.65  1.85  0.00 ! #SUP  4.84
assign  ((resid    7 and name HG2  )) ((resid    7 and name HE*  ))   4.56  2.76  0.00 ! #SUP  5.73
assign  ((resid    7 and name HG1  )) ((resid    7 and name HE*  ))   4.50  2.70  0.00 ! #SUP  5.41
assign  ((resid    5 and name HB1  )) ((resid    5 and name HB2  ))   3.00  1.20  0.00 ! #SUP  4.86
assign  ((resid    5 and name HB2  )) ((resid    6 and name HN   ))   4.27  2.47  0.00 ! #SUP  6.16
assign  ((resid    5 and name HN   )) ((resid    5 and name HB2  ))   3.71  1.91  0.00 ! #SUP  5.85
assign  ((resid    5 and name HA   )) ((resid    5 and name HB2  ))   3.87  2.07  0.00 ! #SUP  3.96
assign  ((resid    2 and name HG*  )) ((resid    5 and name HB2  ))   4.84  3.04  0.00 ! #SUP  5.94
assign  ((resid    2 and name HA   )) ((resid    5 and name HB2  ))   5.01  3.21  0.00 ! #SUP  4.92
assign  ((resid    2 and name HB   )) ((resid    5 and name HB2  ))   5.50  3.70  0.00 ! #SUP  4.27
assign  ((resid    3 and name HN   )) ((resid    3 and name HG*  ))   3.64  1.84  0.00 ! #SUP  8.06
assign  ((resid    3 and name HG*  )) ((resid    4 and name HN   ))   4.35  2.55  0.00 ! #SUP  8.72
assign  ((resid    3 and name HG*  )) ((resid    5 and name HN   ))   5.50  3.70  0.00 ! #SUP  7.34
assign  ((resid    3 and name HA   )) ((resid    3 and name HG*  ))   3.42  1.62  0.00 ! #SUP  5.05
assign  ((resid    2 and name HA   )) ((resid    3 and name HG*  ))   4.59  2.79  0.00 ! #SUP  6.17
assign  ((resid    3 and name HB*  )) ((resid    3 and name HG*  ))   2.85  1.05  0.00 ! #SUP  6.93
assign  ((resid    3 and name HG*  )) ((resid    7 and name HD*  ))   5.50  3.70  0.00 ! #SUP  1.90
assign  ((resid    2 and name HG*  )) ((resid    3 and name HG*  ))   5.01  3.21  0.00 ! #SUP  6.64
assign  ((resid    3 and name HG*  )) ((resid    4 and name HA   ))   5.04  3.24  0.00 ! #SUP  5.78
assign  ((resid    3 and name HG*  )) ((resid    7 and name HE*  ))   5.50  3.70  0.00 ! #SUP  0.99
assign  ((resid    3 and name HN   )) ((resid    3 and name HB*  ))   3.36  1.56  0.00 ! #SUP  8.06
assign  ((resid    3 and name HB*  )) ((resid    4 and name HN   ))   4.09  2.29  0.00 ! #SUP  8.72
assign  ((resid    3 and name HB*  )) ((resid    4 and name HA   ))   5.50  3.70  0.00 ! #SUP  5.78
assign  ((resid    3 and name HA   )) ((resid    3 and name HB*  ))   3.20  1.40  0.00 ! #SUP  4.98
assign  ((resid    2 and name HA   )) ((resid    3 and name HB*  ))   4.60  2.80  0.00 ! #SUP  6.60
assign  ((resid    3 and name HB*  )) ((resid    3 and name HG*  ))   3.08  1.28  0.00 ! #SUP  6.93
assign  ((resid    3 and name HB*  )) ((resid    6 and name HN   ))   5.50  3.70  0.00 ! #SUP  9.16
assign  ((resid    2 and name HG*  )) ((resid    3 and name HB*  ))   5.50  3.70  0.00 ! #SUP  6.97
assign  ((resid    2 and name HB   )) ((resid    3 and name HN   ))   3.90  2.10  0.00 ! #SUP  5.45
assign  ((resid   10 and name HN   )) ((resid   11 and name HB*  ))   5.06  3.26  0.00 ! #SUP  3.91
assign  ((resid    2 and name HN   )) ((resid    2 and name HB   ))   3.78  1.98  0.00 ! #SUP  3.87
assign  ((resid    2 and name HA   )) ((resid    2 and name HB   ))   3.32  1.52  0.00 ! #SUP  4.16
assign  ((resid   11 and name HB*  )) ((resid   11 and name HG2  ))   3.79  1.99  0.00 ! #SUP  8.72
assign  ((resid   11 and name HB*  )) ((resid   13 and name HD*  ))   5.17  3.37  0.00 ! #SUP  4.31
assign  ((resid    2 and name HG*  )) ((resid    2 and name HB   ))   3.07  1.27  0.00 ! #SUP  4.18
assign  ((resid   11 and name HN   )) ((resid   11 and name HB*  ))   3.20  1.40  0.00 ! #SUP  5.92
assign  ((resid    8 and name HA   )) ((resid   11 and name HB*  ))   4.13  2.33  0.00 ! #SUP  5.61
assign  ((resid   11 and name HA   )) ((resid   11 and name HB*  ))   3.32  1.52  0.00 ! #SUP  6.90
assign  ((resid   11 and name HB*  )) ((resid   11 and name HD1  ))   4.10  2.30  0.00 ! #SUP  5.95
assign  ((resid   11 and name HB*  )) ((resid   12 and name HG11 ))   5.12  3.32  0.00 ! #SUP  7.84
assign  ((resid    2 and name HB   )) ((resid    6 and name HA   ))   4.93  3.13  0.00 ! #SUP  1.78
assign  ((resid    8 and name HN   )) ((resid   11 and name HB*  ))   5.50  3.70  0.00 ! #SUP  6.52
assign  ((resid   11 and name HB*  )) ((resid   11 and name HG1  ))   3.63  1.83  0.00 ! #SUP  7.71
assign  ((resid    4 and name HB1  )) ((resid    7 and name HB*  ))   5.17  3.37  0.00 ! #SUP  3.74
assign  ((resid    7 and name HB*  )) ((resid    8 and name HB2  ))   5.10  3.30  0.00 ! #SUP  6.74
assign  ((resid    6 and name HN   )) ((resid    7 and name HB*  ))   5.25  3.45  0.00 ! #SUP  4.81
assign  ((resid    7 and name HN   )) ((resid    7 and name HB*  ))   3.45  1.65  0.00 ! #SUP 10.00
assign  ((resid    4 and name HA   )) ((resid    7 and name HB*  ))   3.95  2.15  0.00 ! #SUP  5.62
assign  ((resid    6 and name HB*  )) ((resid    7 and name HB*  ))   5.39  3.59  0.00 ! #SUP  6.15
assign  ((resid    7 and name HB*  )) ((resid    7 and name HG2  ))   3.75  1.95  0.00 ! #SUP  8.30
assign  ((resid    7 and name HB*  )) ((resid    8 and name HN   ))   3.85  2.05  0.00 ! #SUP 10.00
assign  ((resid    7 and name HB*  )) ((resid    8 and name HB1  ))   5.04  3.24  0.00 ! #SUP  6.90
assign  ((resid    7 and name HB*  )) ((resid    7 and name HE*  ))   4.76  2.96  0.00 ! #SUP  7.16
assign  ((resid    7 and name HB*  )) ((resid    7 and name HD*  ))   3.96  2.16  0.00 ! #SUP  7.38
assign  ((resid    7 and name HB*  )) ((resid   10 and name HN   ))   5.50  3.70  0.00 ! #SUP  4.77
assign  ((resid    7 and name HA   )) ((resid    7 and name HB*  ))   3.24  1.44  0.00 ! #SUP  7.49
assign  ((resid    7 and name HB*  )) ((resid    7 and name HG1  ))   4.02  2.22  0.00 ! #SUP  7.80
assign  ((resid   12 and name HB   )) ((resid   12 and name HG12 ))   4.01  2.21  0.00 ! #SUP  7.74
assign  ((resid   12 and name HN   )) ((resid   12 and name HB   ))   3.34  1.54  0.00 ! #SUP  7.59
assign  ((resid   12 and name HA   )) ((resid   12 and name HB   ))   3.30  1.50  0.00 ! #SUP  7.31
assign  ((resid    9 and name HA   )) ((resid   12 and name HB   ))   3.92  2.12  0.00 ! #SUP  4.55
assign  ((resid   12 and name HB   )) ((resid   12 and name HG11 ))   3.72  1.92  0.00 ! #SUP  6.72
assign  ((resid   12 and name HG2* )) ((resid   12 and name HB   ))   3.42  1.62  0.00 ! #SUP  6.81
assign  ((resid   12 and name HB   )) ((resid   12 and name HD1* ))   3.83  2.03  0.00 ! #SUP  7.27
assign  ((resid   12 and name HB   )) ((resid   13 and name HN   ))   3.43  1.63  0.00 ! #SUP  8.52
assign  ((resid   13 and name HN   )) ((resid   13 and name HB1  ))   3.35  1.55  0.00 ! #SUP  7.31
assign  ((resid   13 and name HA   )) ((resid   13 and name HB2  ))   3.53  1.73  0.00 ! #SUP  4.79
assign  ((resid   13 and name HB2  )) ((resid   13 and name HG   ))   2.83  1.03  0.00 ! #SUP  4.32
assign  ((resid   13 and name HN   )) ((resid   13 and name HB1  ))   3.30  1.50  0.00 ! #SUP  7.31
assign  ((resid    8 and name HN   )) ((resid   11 and name HG2  ))   5.50  3.70  0.00 ! #SUP  6.26
assign  ((resid   13 and name HA   )) ((resid   13 and name HB2  ))   3.56  1.76  0.00 ! #SUP  4.79
assign  ((resid   13 and name HB1  )) ((resid   13 and name HD*  ))   3.15  1.35  0.00 ! #SUP  5.96
assign  ((resid   11 and name HN   )) ((resid   11 and name HG2  ))   3.96  2.16  0.00 ! #SUP  6.77
assign  ((resid   11 and name HA   )) ((resid   11 and name HG2  ))   4.05  2.25  0.00 ! #SUP  7.58
assign  ((resid   11 and name HG2  )) ((resid   12 and name HG12 ))   5.17  3.37  0.00 ! #SUP  9.10
assign  ((resid   11 and name HG2  )) ((resid   11 and name HD2  ))   4.00  2.20  0.00 ! #SUP  6.25
assign  ((resid   11 and name HG2  )) ((resid   11 and name HD1  ))   4.01  2.21  0.00 ! #SUP  6.72
assign  ((resid   11 and name HB*  )) ((resid   11 and name HG2  ))   3.54  1.74  0.00 ! #SUP  8.72
assign  ((resid   11 and name HG2  )) ((resid   12 and name HG11 ))   4.64  2.84  0.00 ! #SUP  7.95
assign  ((resid   11 and name HG2  )) ((resid   12 and name HD1* ))   5.30  3.50  0.00 ! #SUP  8.89
assign  ((resid   10 and name HA2  )) ((resid   13 and name HB1  ))   4.35  2.55  0.00 ! #SUP  3.14
assign  ((resid    7 and name HN   )) ((resid    7 and name HD*  ))   5.23  3.43  0.00 ! #SUP  7.43
assign  ((resid    7 and name HD*  )) ((resid    7 and name HE*  ))   3.81  2.01  0.00 ! #SUP  4.84
assign  ((resid    7 and name HB*  )) ((resid    7 and name HD*  ))   3.98  2.18  0.00 ! #SUP  7.38
assign  ((resid    7 and name HG1  )) ((resid    7 and name HD*  ))   3.89  2.09  0.00 ! #SUP  4.43
assign  ((resid    9 and name HN   )) ((resid    9 and name HB2  ))   3.41  1.61  0.00 ! #SUP  8.13
assign  ((resid    9 and name HB2  )) ((resid   10 and name HN   ))   3.88  2.08  0.00 ! #SUP  7.36
assign  ((resid    8 and name HN   )) ((resid    9 and name HB2  ))   4.98  3.18  0.00 ! #SUP  8.05
assign  ((resid   11 and name HN   )) ((resid   11 and name HG1  ))   4.11  2.31  0.00 ! #SUP  6.07
assign  ((resid   11 and name HA   )) ((resid   11 and name HG1  ))   4.08  2.28  0.00 ! #SUP  6.81
assign  ((resid    6 and name HA   )) ((resid    9 and name HB2  ))   3.93  2.13  0.00 ! #SUP  7.66
assign  ((resid   11 and name HG1  )) ((resid   11 and name HD2  ))   4.04  2.24  0.00 ! #SUP  5.64
assign  ((resid   11 and name HG1  )) ((resid   11 and name HD1  ))   3.96  2.16  0.00 ! #SUP  5.98
assign  ((resid   11 and name HB*  )) ((resid   11 and name HG1  ))   3.60  1.80  0.00 ! #SUP  7.71
assign  ((resid    9 and name HB2  )) ((resid    9 and name HG   ))   2.88  1.08  0.00 ! #SUP  5.03
assign  ((resid    9 and name HA   )) ((resid    9 and name HB2  ))   3.48  1.68  0.00 ! #SUP  7.28
assign  ((resid   11 and name HG1  )) ((resid   12 and name HG12 ))   5.50  3.70  0.00 ! #SUP  7.53
assign  ((resid    9 and name HB2  )) ((resid    9 and name HD*  ))   3.48  1.68  0.00 ! #SUP  7.41
assign  ((resid    8 and name HB1  )) ((resid    9 and name HB2  ))   5.23  3.43  0.00 ! #SUP  7.16
assign  ((resid    9 and name HN   )) ((resid    9 and name HB1  ))   3.54  1.74  0.00 ! #SUP  7.55
assign  ((resid    8 and name HN   )) ((resid    9 and name HB1  ))   5.50  3.70  0.00 ! #SUP  6.32
assign  ((resid    8 and name HB1  )) ((resid    9 and name HB1  ))   5.50  3.70  0.00 ! #SUP  5.98
assign  ((resid    9 and name HB1  )) ((resid    9 and name HD*  ))   3.52  1.72  0.00 ! #SUP  6.61
assign  ((resid   13 and name HN   )) ((resid   13 and name HG   ))   3.77  1.97  0.00 ! #SUP  7.25
assign  ((resid   13 and name HA   )) ((resid   13 and name HG   ))   3.42  1.62  0.00 ! #SUP  4.95
assign  ((resid    9 and name HA   )) ((resid    9 and name HB1  ))   3.81  2.01  0.00 ! #SUP  6.65
assign  ((resid   13 and name HB2  )) ((resid   13 and name HG   ))   2.83  1.03  0.00 ! #SUP  4.32
assign  ((resid   13 and name HD*  )) ((resid   13 and name HG   ))   3.38  1.58  0.00 ! #SUP  5.56
assign  ((resid    9 and name HN   )) ((resid    9 and name HG   ))   3.87  2.07  0.00 ! #SUP  7.06
assign  ((resid    9 and name HG   )) ((resid   10 and name HN   ))   4.19  2.39  0.00 ! #SUP  7.30
assign  ((resid    9 and name HG   )) ((resid   11 and name HN   ))   5.50  3.70  0.00 ! #SUP  3.68
assign  ((resid    6 and name HA   )) ((resid    9 and name HG   ))   4.34  2.54  0.00 ! #SUP  4.37
assign  ((resid    9 and name HA   )) ((resid    9 and name HG   ))   3.53  1.73  0.00 ! #SUP  6.23
assign  ((resid    9 and name HB2  )) ((resid    9 and name HG   ))   2.83  1.03  0.00 ! #SUP  5.03
assign  ((resid    9 and name HD*  )) ((resid    9 and name HG   ))   3.79  1.99  0.00 ! #SUP  6.40
assign  ((resid    7 and name HG2  )) ((resid    8 and name HN   ))   5.50  3.70  0.00 ! #SUP  7.23
assign  ((resid    7 and name HN   )) ((resid    7 and name HG2  ))   4.21  2.41  0.00 ! #SUP  8.18
assign  ((resid    7 and name HA   )) ((resid    7 and name HG2  ))   4.12  2.32  0.00 ! #SUP  5.81
assign  ((resid    7 and name HG2  )) ((resid    7 and name HE*  ))   4.46  2.66  0.00 ! #SUP  5.73
assign  ((resid    4 and name HA   )) ((resid    7 and name HG2  ))   5.50  3.70  0.00 ! #SUP  2.92
assign  ((resid    6 and name HB*  )) ((resid    7 and name HG2  ))   5.50  3.70  0.00 ! #SUP  5.19
assign  ((resid    7 and name HB*  )) ((resid    7 and name HG2  ))   3.87  2.07  0.00 ! #SUP  8.30
assign  ((resid    7 and name HG1  )) ((resid    7 and name HE*  ))   4.38  2.58  0.00 ! #SUP  5.41
assign  ((resid   12 and name HG11 )) ((resid   13 and name HN   ))   4.46  2.66  0.00 ! #SUP  9.10
assign  ((resid    7 and name HN   )) ((resid    7 and name HG1  ))   4.38  2.58  0.00 ! #SUP  7.85
assign  ((resid   12 and name HN   )) ((resid   12 and name HG11 ))   3.84  2.04  0.00 ! #SUP  8.52
assign  ((resid    4 and name HA   )) ((resid    7 and name HG1  ))   4.88  3.08  0.00 ! #SUP  3.09
assign  ((resid    7 and name HA   )) ((resid    7 and name HG1  ))   4.05  2.25  0.00 ! #SUP  5.84
assign  ((resid   12 and name HA   )) ((resid   12 and name HG11 ))   4.33  2.53  0.00 ! #SUP  8.14
assign  ((resid    9 and name HA   )) ((resid   12 and name HG11 ))   4.31  2.51  0.00 ! #SUP  8.57
assign  ((resid    7 and name HG1  )) ((resid    7 and name HD*  ))   3.81  2.01  0.00 ! #SUP  4.43
assign  ((resid   12 and name HG12 )) ((resid   12 and name HG11 ))   3.08  1.28  0.00 ! #SUP  9.17
assign  ((resid   12 and name HD1* )) ((resid   12 and name HG11 ))   4.11  2.31  0.00 ! #SUP  8.18
assign  ((resid   12 and name HD1* )) ((resid   12 and name HG12 ))   4.29  2.49  0.00 ! #SUP  9.43
assign  ((resid   11 and name HG1  )) ((resid   12 and name HG12 ))   5.50  3.70  0.00 ! #SUP  7.53
assign  ((resid   12 and name HG12 )) ((resid   13 and name HN   ))   4.68  2.88  0.00 ! #SUP  9.92
assign  ((resid   12 and name HN   )) ((resid   12 and name HG12 ))   3.76  1.96  0.00 ! #SUP 10.00
assign  ((resid   12 and name HA   )) ((resid   12 and name HG12 ))   4.08  2.28  0.00 ! #SUP  9.82
assign  ((resid    9 and name HA   )) ((resid   12 and name HG12 ))   4.15  2.35  0.00 ! #SUP  5.94
assign  ((resid   11 and name HB*  )) ((resid   12 and name HG12 ))   5.37  3.57  0.00 ! #SUP  9.10
assign  ((resid   11 and name HG2  )) ((resid   12 and name HG12 ))   5.21  3.41  0.00 ! #SUP  9.10
assign  ((resid   12 and name HG11 )) ((resid   12 and name HG12 ))   3.22  1.42  0.00 ! #SUP  9.17
assign  ((resid    8 and name HA   )) ((resid   12 and name HG12 ))   5.50  3.70  0.00 ! #SUP  4.34
assign  ((resid   11 and name HB*  )) ((resid   13 and name HD*  ))   5.50  3.70  0.00 ! #SUP  4.31
assign  ((resid    9 and name HA   )) ((resid   13 and name HD*  ))   4.54  2.74  0.00 ! #SUP  7.41
assign  ((resid   13 and name HB1  )) ((resid   13 and name HD*  ))   3.13  1.33  0.00 ! #SUP  5.96
assign  ((resid   13 and name HG   )) ((resid   13 and name HD*  ))   3.39  1.59  0.00 ! #SUP  5.56
assign  ((resid   12 and name HG12 )) ((resid   13 and name HD*  ))   4.23  2.43  0.00 ! #SUP  7.69
assign  ((resid   13 and name HB1  )) ((resid   13 and name HD*  ))   3.10  1.30  0.00 ! #SUP  5.96
assign  ((resid   13 and name HN   )) ((resid   13 and name HD*  ))   4.19  2.39  0.00 ! #SUP  8.58
assign  ((resid   12 and name HN   )) ((resid   13 and name HD*  ))   5.23  3.43  0.00 ! #SUP  7.50
assign  ((resid   13 and name HA   )) ((resid   13 and name HD*  ))   2.99  1.19  0.00 ! #SUP  6.16
assign  ((resid   12 and name HA   )) ((resid   13 and name HD*  ))   5.24  3.44  0.00 ! #SUP  7.25
assign  ((resid    9 and name HD*  )) ((resid   13 and name HD*  ))   3.01  1.21  0.00 ! #SUP  6.88
assign  ((resid    2 and name HG*  )) ((resid    3 and name HN   ))   4.11  2.31  0.00 ! #SUP  8.91
assign  ((resid    2 and name HN   )) ((resid    2 and name HG*  ))   4.13  2.33  0.00 ! #SUP  5.39
assign  ((resid    2 and name HG*  )) ((resid    5 and name HB1  ))   3.48  1.68  0.00 ! #SUP  6.41
assign  ((resid    2 and name HB   )) ((resid    2 and name HG*  ))   3.09  1.29  0.00 ! #SUP  4.18
assign  ((resid    9 and name HN   )) ((resid    9 and name HD*  ))   4.41  2.61  0.00 ! #SUP  9.02
assign  ((resid    6 and name HA   )) ((resid    9 and name HD*  ))   4.12  2.32  0.00 ! #SUP  6.37
assign  ((resid    9 and name HA   )) ((resid    9 and name HD*  ))   3.23  1.43  0.00 ! #SUP  7.89
assign  ((resid    9 and name HG   )) ((resid    9 and name HD*  ))   3.43  1.63  0.00 ! #SUP  6.40
assign  ((resid    9 and name HD*  )) ((resid   13 and name HD*  ))   2.70  0.90  0.00 ! #SUP  6.88
assign  ((resid    2 and name HG*  )) ((resid    4 and name HB1  ))   5.17  3.37  0.00 ! #SUP  5.87
assign  ((resid    9 and name HB1  )) ((resid    9 and name HD*  ))   3.31  1.51  0.00 ! #SUP  6.61
assign  ((resid    2 and name HG*  )) ((resid    4 and name HN   ))   4.58  2.78  0.00 ! #SUP 10.00
assign  ((resid   12 and name HA   )) ((resid   12 and name HG2* ))   3.08  1.28  0.00 ! #SUP  8.44
assign  ((resid   12 and name HG2* )) ((resid   12 and name HG12 ))   4.02  2.22  0.00 ! #SUP  9.04
assign  ((resid   12 and name HG2* )) ((resid   12 and name HD1* ))   3.32  1.52  0.00 ! #SUP  8.47
assign  ((resid   12 and name HN   )) ((resid   12 and name HG2* ))   3.73  1.93  0.00 ! #SUP  8.70
assign  ((resid   12 and name HB   )) ((resid   12 and name HG2* ))   3.32  1.52  0.00 ! #SUP  6.81
assign  ((resid   12 and name HG2* )) ((resid   12 and name HG11 ))   4.07  2.27  0.00 ! #SUP  7.92
assign  ((resid   12 and name HD1* )) ((resid   13 and name HN   ))   5.21  3.41  0.00 ! #SUP  9.46
assign  ((resid   12 and name HN   )) ((resid   12 and name HD1* ))   4.55  2.75  0.00 ! #SUP  9.06
assign  ((resid    8 and name HA   )) ((resid   12 and name HD1* ))   5.48  3.68  0.00 ! #SUP  6.48
assign  ((resid   12 and name HA   )) ((resid   12 and name HD1* ))   4.11  2.31  0.00 ! #SUP  8.76
assign  ((resid    9 and name HA   )) ((resid   12 and name HD1* ))   4.33  2.53  0.00 ! #SUP 10.00
assign  ((resid   12 and name HB   )) ((resid   12 and name HD1* ))   3.89  2.09  0.00 ! #SUP  7.27
assign  ((resid   12 and name HG11 )) ((resid   12 and name HD1* ))   3.68  1.88  0.00 ! #SUP  8.18
assign  ((resid   12 and name HG12 )) ((resid   12 and name HD1* ))   3.71  1.91  0.00 ! #SUP  9.43
assign  ((resid   12 and name HG2* )) ((resid   12 and name HD1* ))   3.55  1.75  0.00 ! #SUP  8.47
assign  ((resid   12 and name HD1* )) ((resid   13 and name HG   ))   5.50  3.70  0.00 ! #SUP  5.39
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           HT1      PHE   1  13.137  11.856   0.315
    2    H2   PHE   1           HT2      PHE   1  12.012  11.482   1.532
    3    H3   PHE   1           HT3      PHE   1  11.689  12.731   0.427
    4    HA   PHE   1           HA       PHE   1  10.513  10.510   0.040
    5    HB2  PHE   1           HB2      PHE   1  11.235  12.638  -1.477
    6    HB3  PHE   1           HB1      PHE   1  12.062  11.351  -2.355
    7    HD1  PHE   1           HD1      PHE   1   8.834  12.800  -1.453
    8    HD2  PHE   1           HD2      PHE   1  10.773   9.422  -3.265
    9    HE1  PHE   1           HE1      PHE   1   6.680  12.109  -2.468
   10    HE2  PHE   1           HE2      PHE   1   8.619   8.731  -4.280
   11    HZ   PHE   1           HZ       PHE   1   6.572  10.074  -3.882
   12    H    VAL   2           HN       VAL   2  10.892   8.334  -0.207
   13    HA   VAL   2           HA       VAL   2  13.581   7.447  -1.173
   14    HB   VAL   2           HB       VAL   2  12.725   5.667   0.853
   15   HG11  VAL   2          HG11      VAL   2  14.745   7.908   1.118
   16   HG12  VAL   2          HG12      VAL   2  15.053   6.440   0.191
   17   HG13  VAL   2          HG13      VAL   2  14.766   6.342   1.928
   18   HG21  VAL   2          HG21      VAL   2  12.399   7.138   2.777
   19   HG22  VAL   2          HG22      VAL   2  11.166   7.483   1.563
   20   HG23  VAL   2          HG23      VAL   2  12.550   8.561   1.746
   21    H    GLN   3           HN       GLN   3  13.213   6.094  -2.888
   22    HA   GLN   3           HA       GLN   3  10.654   4.534  -2.941
   23    HB2  GLN   3           HB2      GLN   3  10.684   4.841  -5.261
   24    HB3  GLN   3           HB1      GLN   3  11.411   6.344  -4.697
   25    HG2  GLN   3           HG2      GLN   3  13.670   5.298  -4.995
   26    HG3  GLN   3           HG1      GLN   3  12.881   3.885  -5.696
   27   HE21  GLN   3          HE21      GLN   3  14.246   4.592  -7.674
   28   HE22  GLN   3          HE22      GLN   3  13.566   5.748  -8.715
   29    H    TRP   4           HN       TRP   4  14.169   4.341  -3.394
   30    HA   TRP   4           HA       TRP   4  14.113   1.475  -4.024
   31    HB2  TRP   4           HB2      TRP   4  15.881   3.690  -4.215
   32    HB3  TRP   4           HB1      TRP   4  16.674   2.501  -3.182
   33    HD1  TRP   4           HD1      TRP   4  15.701   3.175  -6.743
   34    HE1  TRP   4           HE1      TRP   4  16.478   1.225  -8.240
   35    HE3  TRP   4           HE3      TRP   4  17.059  -0.200  -3.159
   36    HZ2  TRP   4           HZ2      TRP   4  17.538  -1.418  -7.953
   37    HZ3  TRP   4           HZ3      TRP   4  17.949  -2.422  -3.797
   38    HH2  TRP   4           HH2      TRP   4  18.190  -3.036  -6.187
   39    H    PHE   5           HN       PHE   5  14.741   3.536  -1.215
   40    HA   PHE   5           HA       PHE   5  15.653   1.370   0.508
   41    HB2  PHE   5           HB2      PHE   5  15.975   3.993   0.551
   42    HB3  PHE   5           HB1      PHE   5  14.462   3.965   1.456
   43    HD1  PHE   5           HD1      PHE   5  14.711   3.966   3.766
   44    HD2  PHE   5           HD2      PHE   5  17.625   1.933   1.352
   45    HE1  PHE   5           HE1      PHE   5  15.951   3.313   5.812
   46    HE2  PHE   5           HE2      PHE   5  18.865   1.280   3.398
   47    HZ   PHE   5           HZ       PHE   5  18.027   1.970   5.628
   48    H    SER   6           HN       SER   6  12.554   2.709  -0.415
   49    HA   SER   6           HA       SER   6  11.141   1.409   1.842
   50    HB2  SER   6           HB2      SER   6  10.696   3.508  -0.135
   51    HB3  SER   6           HB1      SER   6   9.312   2.420  -0.022
   52    HG   SER   6           HG       SER   6   9.286   4.180   1.498
   53    H    LYS   7           HN       LYS   7  11.857   0.884  -1.546
   54    HA   LYS   7           HA       LYS   7   9.801  -0.998  -2.195
   55    HB2  LYS   7           HB2      LYS   7  12.513  -0.213  -3.159
   56    HB3  LYS   7           HB1      LYS   7  11.867  -1.745  -3.746
   57    HG2  LYS   7           HG2      LYS   7   9.872   0.390  -3.804
   58    HG3  LYS   7           HG1      LYS   7  11.287   0.772  -4.784
   59    HD2  LYS   7           HD2      LYS   7  10.581  -1.987  -5.189
   60    HD3  LYS   7           HD1      LYS   7   9.152  -0.984  -5.437
   61    HE2  LYS   7           HE2      LYS   7  11.847  -0.403  -6.717
   62    HE3  LYS   7           HE1      LYS   7  10.533  -1.276  -7.529
   63    HZ1  LYS   7           HZ1      LYS   7   9.194   0.784  -6.532
   64    HZ2  LYS   7           HZ2      LYS   7   9.908   0.824  -8.073
   65    HZ3  LYS   7           HZ3      LYS   7  10.700   1.534  -6.749
   66    H    PHE   8           HN       PHE   8  12.692  -1.277  -0.263
   67    HA   PHE   8           HA       PHE   8  12.393  -4.257  -0.203
   68    HB2  PHE   8           HB2      PHE   8  14.572  -2.452  -0.542
   69    HB3  PHE   8           HB1      PHE   8  14.794  -3.252   1.011
   70    HD1  PHE   8           HD1      PHE   8  14.939  -3.609  -2.583
   71    HD2  PHE   8           HD2      PHE   8  14.697  -5.798   1.105
   72    HE1  PHE   8           HE1      PHE   8  15.696  -5.661  -3.751
   73    HE2  PHE   8           HE2      PHE   8  15.454  -7.850  -0.063
   74    HZ   PHE   8           HZ       PHE   8  15.953  -7.782  -2.492
   75    H    LEU   9           HN       LEU   9  12.606  -1.316   1.746
   76    HA   LEU   9           HA       LEU   9  12.378  -2.839   4.277
   77    HB2  LEU   9           HB2      LEU   9  12.444   0.143   3.725
   78    HB3  LEU   9           HB1      LEU   9  12.775  -0.654   5.260
   79    HG   LEU   9           HG       LEU   9  14.386  -1.036   2.723
   80   HD11  LEU   9          HD11      LEU   9  15.294   0.329   5.258
   81   HD12  LEU   9          HD12      LEU   9  14.504   1.233   3.965
   82   HD13  LEU   9          HD13      LEU   9  16.025   0.395   3.654
   83   HD21  LEU   9          HD21      LEU   9  15.976  -1.972   4.633
   84   HD22  LEU   9          HD22      LEU   9  14.740  -3.000   3.909
   85   HD23  LEU   9          HD23      LEU   9  14.446  -2.233   5.470
   86    H    GLY  10           HN       GLY  10  10.559  -0.338   2.473
   87    HA2  GLY  10           HA2      GLY  10   8.345  -0.065   4.167
   88    HA3  GLY  10           HA1      GLY  10   8.242   0.078   2.412
   89    H    ARG  11           HN       ARG  11   9.235  -2.744   2.119
   90    HA   ARG  11           HA       ARG  11   6.656  -4.061   2.099
   91    HB2  ARG  11           HB2      ARG  11   7.798  -5.629   0.859
   92    HB3  ARG  11           HB1      ARG  11   8.902  -4.266   0.690
   93    HG2  ARG  11           HG2      ARG  11  10.171  -5.115   2.668
   94    HG3  ARG  11           HG1      ARG  11   9.126  -6.538   2.680
   95    HD2  ARG  11           HD2      ARG  11  10.066  -6.094   0.005
   96    HD3  ARG  11           HD1      ARG  11  11.458  -6.135   1.106
   97    HE   ARG  11           HE       ARG  11   9.657  -8.368   0.534
   98   HH11  ARG  11          HH11      ARG  11  10.088 -10.294   1.606
   99   HH12  ARG  11          HH12      ARG  11  11.144 -10.297   2.980
  100   HH21  ARG  11          HH21      ARG  11  11.759  -6.892   2.876
  101   HH22  ARG  11          HH22      ARG  11  12.082  -8.382   3.691
  102    H    ILE  12           HN       ILE  12   9.301  -3.878   4.371
  103    HA   ILE  12           HA       ILE  12   8.195  -6.142   5.976
  104    HB   ILE  12           HB       ILE  12  10.625  -4.574   6.743
  105   HG12  ILE  12          HG12      ILE  12  10.384  -6.298   4.278
  106   HG13  ILE  12          HG11      ILE  12  11.063  -4.677   4.410
  107   HG21  ILE  12          HG21      ILE  12   9.693  -6.645   7.922
  108   HG22  ILE  12          HG22      ILE  12  11.401  -6.702   7.490
  109   HG23  ILE  12          HG23      ILE  12  10.214  -7.560   6.508
  110   HD11  ILE  12          HD11      ILE  12  12.925  -6.185   4.277
  111   HD12  ILE  12          HD12      ILE  12  12.221  -7.257   5.488
  112   HD13  ILE  12          HD13      ILE  12  12.820  -5.666   5.959
  113    H    LEU  13           HN       LEU  13   8.740  -2.666   5.981
  114    HA   LEU  13           HA       LEU  13   8.002  -2.262   8.764
  115    HB2  LEU  13           HB2      LEU  13   8.652  -0.664   6.308
  116    HB3  LEU  13           HB1      LEU  13   8.032   0.143   7.733
  117    HG   LEU  13           HG       LEU  13   9.902  -1.356   8.912
  118   HD11  LEU  13          HD11      LEU  13  11.891  -1.522   7.475
  119   HD12  LEU  13          HD12      LEU  13  10.978  -0.858   6.121
  120   HD13  LEU  13          HD13      LEU  13  10.553  -2.438   6.779
  121   HD21  LEU  13          HD21      LEU  13  11.369   0.588   8.850
  122   HD22  LEU  13          HD22      LEU  13   9.696   1.142   8.928
  123   HD23  LEU  13          HD23      LEU  13  10.568   1.183   7.396
  Start of MODEL    2
    1    H1   PHE   1           HT1      PHE   1  12.203  10.728   1.304
    2    H2   PHE   1           HT2      PHE   1  11.174  12.028   0.930
    3    H3   PHE   1           HT3      PHE   1  12.776  12.018   0.364
    4    HA   PHE   1           HA       PHE   1  10.481  10.398  -0.566
    5    HB2  PHE   1           HB2      PHE   1  12.229  12.591  -1.427
    6    HB3  PHE   1           HB1      PHE   1  12.092  11.314  -2.637
    7    HD1  PHE   1           HD1      PHE   1   9.572  12.415  -0.108
    8    HD2  PHE   1           HD2      PHE   1  10.639  12.222  -4.264
    9    HE1  PHE   1           HE1      PHE   1   7.317  13.241  -0.725
   10    HE2  PHE   1           HE2      PHE   1   8.384  13.047  -4.882
   11    HZ   PHE   1           HZ       PHE   1   6.723  13.556  -3.113
   12    H    VAL   2           HN       VAL   2  11.122   8.244  -0.166
   13    HA   VAL   2           HA       VAL   2  13.672   7.397  -1.495
   14    HB   VAL   2           HB       VAL   2  13.144   5.685   0.696
   15   HG11  VAL   2          HG11      VAL   2  15.380   6.110   0.088
   16   HG12  VAL   2          HG12      VAL   2  15.207   6.984   1.610
   17   HG13  VAL   2          HG13      VAL   2  15.141   7.857   0.078
   18   HG21  VAL   2          HG21      VAL   2  12.965   8.615   1.465
   19   HG22  VAL   2          HG22      VAL   2  13.041   7.252   2.581
   20   HG23  VAL   2          HG23      VAL   2  11.631   7.465   1.544
   21    H    GLN   3           HN       GLN   3  13.034   6.086  -3.163
   22    HA   GLN   3           HA       GLN   3  10.567   4.436  -2.844
   23    HB2  GLN   3           HB2      GLN   3  10.473   4.505  -5.204
   24    HB3  GLN   3           HB1      GLN   3  11.104   6.095  -4.775
   25    HG2  GLN   3           HG2      GLN   3  13.430   5.155  -5.082
   26    HG3  GLN   3           HG1      GLN   3  12.687   3.690  -5.723
   27   HE21  GLN   3          HE21      GLN   3  10.468   5.185  -7.052
   28   HE22  GLN   3          HE22      GLN   3  11.166   5.955  -8.394
   29    H    TRP   4           HN       TRP   4  14.041   4.221  -3.492
   30    HA   TRP   4           HA       TRP   4  13.980   1.324  -3.947
   31    HB2  TRP   4           HB2      TRP   4  15.787   3.582  -4.177
   32    HB3  TRP   4           HB1      TRP   4  16.590   2.230  -3.376
   33    HD1  TRP   4           HD1      TRP   4  15.865   3.497  -6.706
   34    HE1  TRP   4           HE1      TRP   4  16.130   1.656  -8.492
   35    HE3  TRP   4           HE3      TRP   4  16.006  -0.630  -3.702
   36    HZ2  TRP   4           HZ2      TRP   4  16.371  -1.192  -8.627
   37    HZ3  TRP   4           HZ3      TRP   4  16.254  -2.891  -4.684
   38    HH2  TRP   4           HH2      TRP   4  16.436  -3.177  -7.139
   39    H    PHE   5           HN       PHE   5  14.718   3.542  -1.285
   40    HA   PHE   5           HA       PHE   5  15.737   1.465   0.493
   41    HB2  PHE   5           HB2      PHE   5  16.101   4.066   0.393
   42    HB3  PHE   5           HB1      PHE   5  14.617   4.128   1.345
   43    HD1  PHE   5           HD1      PHE   5  17.870   2.252   1.238
   44    HD2  PHE   5           HD2      PHE   5  14.801   4.025   3.664
   45    HE1  PHE   5           HE1      PHE   5  19.159   1.686   3.280
   46    HE2  PHE   5           HE2      PHE   5  16.090   3.459   5.707
   47    HZ   PHE   5           HZ       PHE   5  18.268   2.290   5.514
   48    H    SER   6           HN       SER   6  12.598   2.769  -0.324
   49    HA   SER   6           HA       SER   6  11.316   1.564   2.068
   50    HB2  SER   6           HB2      SER   6  10.861   3.868   0.886
   51    HB3  SER   6           HB1      SER   6   9.918   2.894  -0.242
   52    HG   SER   6           HG       SER   6   8.481   3.346   1.290
   53    H    LYS   7           HN       LYS   7  11.722   1.020  -1.379
   54    HA   LYS   7           HA       LYS   7   9.605  -0.836  -1.842
   55    HB2  LYS   7           HB2      LYS   7  12.150   0.035  -3.043
   56    HB3  LYS   7           HB1      LYS   7  11.694  -1.615  -3.462
   57    HG2  LYS   7           HG2      LYS   7   9.459   0.300  -3.568
   58    HG3  LYS   7           HG1      LYS   7  10.746   0.643  -4.723
   59    HD2  LYS   7           HD2      LYS   7  10.544  -2.045  -5.031
   60    HD3  LYS   7           HD1      LYS   7   8.877  -1.659  -4.599
   61    HE2  LYS   7           HE2      LYS   7   8.795   0.032  -6.405
   62    HE3  LYS   7           HE1      LYS   7  10.471  -0.354  -6.839
   63    HZ1  LYS   7           HZ1      LYS   7   9.181  -2.776  -6.606
   64    HZ2  LYS   7           HZ2      LYS   7   9.653  -2.020  -8.053
   65    HZ3  LYS   7           HZ3      LYS   7   8.084  -1.792  -7.445
   66    H    PHE   8           HN       PHE   8  12.697  -1.172  -0.228
   67    HA   PHE   8           HA       PHE   8  12.370  -4.140  -0.114
   68    HB2  PHE   8           HB2      PHE   8  14.521  -2.286  -0.473
   69    HB3  PHE   8           HB1      PHE   8  14.800  -3.159   1.030
   70    HD1  PHE   8           HD1      PHE   8  14.984  -3.299  -2.541
   71    HD2  PHE   8           HD2      PHE   8  14.559  -5.744   0.965
   72    HE1  PHE   8           HE1      PHE   8  15.705  -5.284  -3.839
   73    HE2  PHE   8           HE2      PHE   8  15.280  -7.730  -0.334
   74    HZ   PHE   8           HZ       PHE   8  15.853  -7.500  -2.736
   75    H    LEU   9           HN       LEU   9  12.580  -1.204   1.817
   76    HA   LEU   9           HA       LEU   9  12.461  -2.715   4.365
   77    HB2  LEU   9           HB2      LEU   9  12.474   0.258   3.746
   78    HB3  LEU   9           HB1      LEU   9  12.791  -0.483   5.312
   79    HG   LEU   9           HG       LEU   9  14.447  -0.852   2.803
   80   HD11  LEU   9          HD11      LEU   9  14.549   0.994   5.094
   81   HD12  LEU   9          HD12      LEU   9  15.324   1.119   3.514
   82   HD13  LEU   9          HD13      LEU   9  16.070   0.153   4.788
   83   HD21  LEU   9          HD21      LEU   9  14.446  -2.891   4.131
   84   HD22  LEU   9          HD22      LEU   9  14.733  -1.971   5.608
   85   HD23  LEU   9          HD23      LEU   9  15.987  -2.067   4.370
   86    H    GLY  10           HN       GLY  10  10.601  -0.105   2.762
   87    HA2  GLY  10           HA2      GLY  10   8.387  -0.077   4.498
   88    HA3  GLY  10           HA1      GLY  10   8.287   0.331   2.784
   89    H    ARG  11           HN       ARG  11   9.302  -2.435   2.102
   90    HA   ARG  11           HA       ARG  11   6.721  -3.719   1.847
   91    HB2  ARG  11           HB2      ARG  11   7.869  -5.047   0.380
   92    HB3  ARG  11           HB1      ARG  11   9.047  -3.743   0.506
   93    HG2  ARG  11           HG2      ARG  11  10.215  -4.990   2.295
   94    HG3  ARG  11           HG1      ARG  11   9.058  -6.312   2.114
   95    HD2  ARG  11           HD2      ARG  11  10.047  -5.608  -0.479
   96    HD3  ARG  11           HD1      ARG  11  11.430  -5.879   0.602
   97    HE   ARG  11           HE       ARG  11   9.517  -7.903  -0.255
   98   HH11  ARG  11          HH11      ARG  11   9.747  -9.961   0.620
   99   HH12  ARG  11          HH12      ARG  11  10.723 -10.188   2.033
  100   HH21  ARG  11          HH21      ARG  11  11.588  -6.849   2.328
  101   HH22  ARG  11          HH22      ARG  11  11.758  -8.438   2.991
  102    H    ILE  12           HN       ILE  12   9.243  -3.810   4.240
  103    HA   ILE  12           HA       ILE  12   8.063  -6.270   5.475
  104    HB   ILE  12           HB       ILE  12  10.541  -4.991   6.523
  105   HG12  ILE  12          HG12      ILE  12  10.349  -6.244   3.779
  106   HG13  ILE  12          HG11      ILE  12  10.974  -4.648   4.185
  107   HG21  ILE  12          HG21      ILE  12   9.915  -7.841   5.709
  108   HG22  ILE  12          HG22      ILE  12   9.568  -7.177   7.306
  109   HG23  ILE  12          HG23      ILE  12  11.235  -7.297   6.744
  110   HD11  ILE  12          HD11      ILE  12  12.582  -6.118   5.750
  111   HD12  ILE  12          HD12      ILE  12  12.977  -5.776   4.066
  112   HD13  ILE  12          HD13      ILE  12  12.251  -7.322   4.505
  113    H    LEU  13           HN       LEU  13   8.731  -2.853   5.943
  114    HA   LEU  13           HA       LEU  13   8.007  -2.808   8.761
  115    HB2  LEU  13           HB2      LEU  13   8.739  -0.913   6.551
  116    HB3  LEU  13           HB1      LEU  13   8.134  -0.285   8.069
  117    HG   LEU  13           HG       LEU  13   9.940  -2.035   9.016
  118   HD11  LEU  13          HD11      LEU  13  10.634  -2.769   6.775
  119   HD12  LEU  13          HD12      LEU  13  11.962  -1.933   7.581
  120   HD13  LEU  13          HD13      LEU  13  11.023  -1.103   6.341
  121   HD21  LEU  13          HD21      LEU  13   9.674   0.624   9.094
  122   HD22  LEU  13          HD22      LEU  13  11.078   0.542   8.030
  123   HD23  LEU  13          HD23      LEU  13  11.151  -0.172   9.641
  Start of MODEL    3
    1    H1   PHE   1           HT1      PHE   1  10.037  11.358  -0.449
    2    H2   PHE   1           HT2      PHE   1  10.741  10.122  -1.379
    3    H3   PHE   1           HT3      PHE   1  11.298  11.720  -1.524
    4    HA   PHE   1           HA       PHE   1  12.532  11.632   0.373
    5    HB2  PHE   1           HB2      PHE   1  10.075  10.225   1.174
    6    HB3  PHE   1           HB1      PHE   1  11.518   9.646   2.006
    7    HD1  PHE   1           HD1      PHE   1   9.506  12.677   1.235
    8    HD2  PHE   1           HD2      PHE   1  12.621  10.978   3.654
    9    HE1  PHE   1           HE1      PHE   1   9.472  14.685   2.690
   10    HE2  PHE   1           HE2      PHE   1  12.589  12.986   5.108
   11    HZ   PHE   1           HZ       PHE   1  11.013  14.840   4.627
   12    H    VAL   2           HN       VAL   2  11.269   8.292   0.095
   13    HA   VAL   2           HA       VAL   2  13.892   7.424  -1.030
   14    HB   VAL   2           HB       VAL   2  13.277   5.507   0.885
   15   HG11  VAL   2          HG11      VAL   2  15.485   5.963   1.046
   16   HG12  VAL   2          HG12      VAL   2  15.035   7.272   2.139
   17   HG13  VAL   2          HG13      VAL   2  15.261   7.598   0.420
   18   HG21  VAL   2          HG21      VAL   2  12.884   8.237   2.135
   19   HG22  VAL   2          HG22      VAL   2  12.743   6.665   2.922
   20   HG23  VAL   2          HG23      VAL   2  11.545   7.164   1.728
   21    H    GLN   3           HN       GLN   3  13.193   6.441  -2.904
   22    HA   GLN   3           HA       GLN   3  10.677   4.845  -2.860
   23    HB2  GLN   3           HB2      GLN   3  10.591   5.325  -5.125
   24    HB3  GLN   3           HB1      GLN   3  11.557   6.695  -4.582
   25    HG2  GLN   3           HG2      GLN   3  13.621   5.324  -5.052
   26    HG3  GLN   3           HG1      GLN   3  12.575   4.103  -5.777
   27   HE21  GLN   3          HE21      GLN   3  14.624   6.312  -6.835
   28   HE22  GLN   3          HE22      GLN   3  13.793   6.950  -8.170
   29    H    TRP   4           HN       TRP   4  14.164   4.550  -3.356
   30    HA   TRP   4           HA       TRP   4  14.026   1.726  -4.148
   31    HB2  TRP   4           HB2      TRP   4  15.844   3.891  -4.244
   32    HB3  TRP   4           HB1      TRP   4  16.604   2.669  -3.223
   33    HD1  TRP   4           HD1      TRP   4  15.473   3.331  -6.780
   34    HE1  TRP   4           HE1      TRP   4  16.338   1.442  -8.307
   35    HE3  TRP   4           HE3      TRP   4  17.269   0.101  -3.256
   36    HZ2  TRP   4           HZ2      TRP   4  17.619  -1.104  -8.064
   37    HZ3  TRP   4           HZ3      TRP   4  18.305  -2.047  -3.931
   38    HH2  TRP   4           HH2      TRP   4  18.483  -2.653  -6.329
   39    H    PHE   5           HN       PHE   5  14.616   3.612  -1.226
   40    HA   PHE   5           HA       PHE   5  15.505   1.345   0.384
   41    HB2  PHE   5           HB2      PHE   5  15.699   4.057   0.506
   42    HB3  PHE   5           HB1      PHE   5  14.368   3.787   1.632
   43    HD1  PHE   5           HD1      PHE   5  15.140   3.806   3.833
   44    HD2  PHE   5           HD2      PHE   5  17.484   1.864   0.802
   45    HE1  PHE   5           HE1      PHE   5  16.760   3.065   5.560
   46    HE2  PHE   5           HE2      PHE   5  19.103   1.123   2.528
   47    HZ   PHE   5           HZ       PHE   5  18.741   1.724   4.907
   48    H    SER   6           HN       SER   6  12.438   2.721  -0.534
   49    HA   SER   6           HA       SER   6  10.970   1.466   1.701
   50    HB2  SER   6           HB2      SER   6  10.463   3.322  -0.574
   51    HB3  SER   6           HB1      SER   6   9.085   2.380  -0.003
   52    HG   SER   6           HG       SER   6  10.766   3.715   1.812
   53    H    LYS   7           HN       LYS   7  11.834   0.777  -1.612
   54    HA   LYS   7           HA       LYS   7   9.787  -1.155  -2.217
   55    HB2  LYS   7           HB2      LYS   7  12.591  -0.572  -3.179
   56    HB3  LYS   7           HB1      LYS   7  11.627  -1.871  -3.883
   57    HG2  LYS   7           HG2      LYS   7  10.211   0.708  -3.615
   58    HG3  LYS   7           HG1      LYS   7  11.564   0.725  -4.747
   59    HD2  LYS   7           HD2      LYS   7  10.482  -0.608  -6.233
   60    HD3  LYS   7           HD1      LYS   7   9.863  -1.668  -4.966
   61    HE2  LYS   7           HE2      LYS   7   8.112   0.001  -4.423
   62    HE3  LYS   7           HE1      LYS   7   8.731   1.057  -5.707
   63    HZ1  LYS   7           HZ1      LYS   7   8.304  -1.709  -6.468
   64    HZ2  LYS   7           HZ2      LYS   7   7.928  -0.283  -7.312
   65    HZ3  LYS   7           HZ3      LYS   7   6.885  -0.856  -6.100
   66    H    PHE   8           HN       PHE   8  12.501  -1.282  -0.095
   67    HA   PHE   8           HA       PHE   8  12.343  -4.276  -0.028
   68    HB2  PHE   8           HB2      PHE   8  14.485  -2.505  -0.474
   69    HB3  PHE   8           HB1      PHE   8  14.703  -3.087   1.175
   70    HD1  PHE   8           HD1      PHE   8  15.795  -3.723  -1.966
   71    HD2  PHE   8           HD2      PHE   8  13.799  -5.779   1.234
   72    HE1  PHE   8           HE1      PHE   8  16.623  -5.890  -2.843
   73    HE2  PHE   8           HE2      PHE   8  14.626  -7.946   0.357
   74    HZ   PHE   8           HZ       PHE   8  16.038  -8.002  -1.682
   75    H    LEU   9           HN       LEU   9  12.807  -1.330   1.925
   76    HA   LEU   9           HA       LEU   9  12.437  -2.775   4.457
   77    HB2  LEU   9           HB2      LEU   9  12.475   0.198   3.851
   78    HB3  LEU   9           HB1      LEU   9  12.828  -0.574   5.394
   79    HG   LEU   9           HG       LEU   9  14.441  -0.823   2.841
   80   HD11  LEU   9          HD11      LEU   9  14.494   1.181   4.692
   81   HD12  LEU   9          HD12      LEU   9  15.900   0.674   3.756
   82   HD13  LEU   9          HD13      LEU   9  15.659   0.056   5.391
   83   HD21  LEU   9          HD21      LEU   9  15.998  -2.054   4.559
   84   HD22  LEU   9          HD22      LEU   9  14.666  -2.940   3.817
   85   HD23  LEU   9          HD23      LEU   9  14.501  -2.309   5.455
   86    H    GLY  10           HN       GLY  10  10.587  -0.478   2.446
   87    HA2  GLY  10           HA2      GLY  10   8.343  -0.206   4.179
   88    HA3  GLY  10           HA1      GLY  10   8.291   0.019   2.431
   89    H    ARG  11           HN       ARG  11   9.385  -2.830   2.167
   90    HA   ARG  11           HA       ARG  11   6.828  -4.163   1.878
   91    HB2  ARG  11           HB2      ARG  11   9.647  -5.289   1.875
   92    HB3  ARG  11           HB1      ARG  11   8.232  -5.997   1.099
   93    HG2  ARG  11           HG2      ARG  11   9.630  -3.411   0.362
   94    HG3  ARG  11           HG1      ARG  11   9.496  -4.871  -0.614
   95    HD2  ARG  11           HD2      ARG  11   7.736  -3.712  -1.551
   96    HD3  ARG  11           HD1      ARG  11   6.858  -4.364  -0.154
   97    HE   ARG  11           HE       ARG  11   8.296  -1.906   0.471
   98   HH11  ARG  11          HH11      ARG  11   7.049  -0.085   0.901
   99   HH12  ARG  11          HH12      ARG  11   5.375  -0.063   0.455
  100   HH21  ARG  11          HH21      ARG  11   5.394  -3.257  -0.886
  101   HH22  ARG  11          HH22      ARG  11   4.447  -1.850  -0.550
  102    H    ILE  12           HN       ILE  12   9.133  -3.865   4.455
  103    HA   ILE  12           HA       ILE  12   7.796  -6.093   5.955
  104    HB   ILE  12           HB       ILE  12  10.347  -5.029   6.958
  105   HG12  ILE  12          HG12      ILE  12  10.141  -6.121   4.147
  106   HG13  ILE  12          HG11      ILE  12  10.903  -4.620   4.671
  107   HG21  ILE  12          HG21      ILE  12   9.204  -7.178   7.620
  108   HG22  ILE  12          HG22      ILE  12  10.881  -7.383   7.113
  109   HG23  ILE  12          HG23      ILE  12   9.568  -7.801   6.010
  110   HD11  ILE  12          HD11      ILE  12  12.763  -6.002   4.450
  111   HD12  ILE  12          HD12      ILE  12  11.879  -7.443   4.953
  112   HD13  ILE  12          HD13      ILE  12  12.368  -6.244   6.152
  113    H    LEU  13           HN       LEU  13   8.834  -2.728   6.006
  114    HA   LEU  13           HA       LEU  13   8.058  -2.303   8.793
  115    HB2  LEU  13           HB2      LEU  13   9.306  -0.880   6.499
  116    HB3  LEU  13           HB1      LEU  13   8.569   0.111   7.741
  117    HG   LEU  13           HG       LEU  13   9.931  -1.698   9.257
  118   HD11  LEU  13          HD11      LEU  13  10.878  -2.643   7.101
  119   HD12  LEU  13          HD12      LEU  13  12.086  -2.128   8.280
  120   HD13  LEU  13          HD13      LEU  13  11.720  -1.108   6.891
  121   HD21  LEU  13          HD21      LEU  13  10.770   0.971   8.119
  122   HD22  LEU  13          HD22      LEU  13  11.747   0.126   9.320
  123   HD23  LEU  13          HD23      LEU  13  10.103   0.628   9.715
  Start of MODEL    4
    1    H1   PHE   1           HT1      PHE   1  11.383  12.189  -1.318
    2    H2   PHE   1           HT2      PHE   1  12.878  11.793  -0.616
    3    H3   PHE   1           HT3      PHE   1  11.726  12.674   0.270
    4    HA   PHE   1           HA       PHE   1  11.112  10.713   1.142
    5    HB2  PHE   1           HB2      PHE   1   9.602  11.459  -0.978
    6    HB3  PHE   1           HB1      PHE   1  10.091   9.853  -1.518
    7    HD1  PHE   1           HD1      PHE   1   8.750   8.061  -0.883
    8    HD2  PHE   1           HD2      PHE   1   8.906  11.547   1.620
    9    HE1  PHE   1           HE1      PHE   1   7.080   7.041   0.642
   10    HE2  PHE   1           HE2      PHE   1   7.237  10.528   3.145
   11    HZ   PHE   1           HZ       PHE   1   6.323   8.275   2.656
   12    H    VAL   2           HN       VAL   2  10.813   8.139   0.190
   13    HA   VAL   2           HA       VAL   2  13.452   7.382  -0.994
   14    HB   VAL   2           HB       VAL   2  12.970   5.505   0.996
   15   HG11  VAL   2          HG11      VAL   2  14.806   6.753   2.201
   16   HG12  VAL   2          HG12      VAL   2  14.642   8.032   0.998
   17   HG13  VAL   2          HG13      VAL   2  15.153   6.418   0.505
   18   HG21  VAL   2          HG21      VAL   2  12.391   8.261   2.118
   19   HG22  VAL   2          HG22      VAL   2  12.427   6.738   3.007
   20   HG23  VAL   2          HG23      VAL   2  11.151   7.041   1.827
   21    H    GLN   3           HN       GLN   3  12.900   6.178  -2.768
   22    HA   GLN   3           HA       GLN   3  10.478   4.422  -2.605
   23    HB2  GLN   3           HB2      GLN   3  10.360   4.711  -4.990
   24    HB3  GLN   3           HB1      GLN   3  10.695   6.305  -4.314
   25    HG2  GLN   3           HG2      GLN   3  13.176   5.769  -4.680
   26    HG3  GLN   3           HG1      GLN   3  12.629   4.409  -5.660
   27   HE21  GLN   3          HE21      GLN   3  11.437   7.806  -5.356
   28   HE22  GLN   3          HE22      GLN   3  11.520   8.139  -7.019
   29    H    TRP   4           HN       TRP   4  13.926   4.511  -3.409
   30    HA   TRP   4           HA       TRP   4  14.021   1.715  -4.271
   31    HB2  TRP   4           HB2      TRP   4  15.580   4.020  -4.488
   32    HB3  TRP   4           HB1      TRP   4  16.523   2.973  -3.428
   33    HD1  TRP   4           HD1      TRP   4  16.504   0.252  -4.425
   34    HE1  TRP   4           HE1      TRP   4  17.104  -0.460  -6.829
   35    HE3  TRP   4           HE3      TRP   4  15.771   4.678  -6.865
   36    HZ2  TRP   4           HZ2      TRP   4  17.253   0.695  -9.442
   37    HZ3  TRP   4           HZ3      TRP   4  16.148   4.844  -9.307
   38    HH2  TRP   4           HH2      TRP   4  16.888   2.860 -10.599
   39    H    PHE   5           HN       PHE   5  14.871   3.556  -1.346
   40    HA   PHE   5           HA       PHE   5  15.908   1.246   0.094
   41    HB2  PHE   5           HB2      PHE   5  16.278   3.851   0.327
   42    HB3  PHE   5           HB1      PHE   5  14.852   3.764   1.361
   43    HD1  PHE   5           HD1      PHE   5  15.492   3.814   3.605
   44    HD2  PHE   5           HD2      PHE   5  17.770   1.466   0.821
   45    HE1  PHE   5           HE1      PHE   5  16.899   2.971   5.466
   46    HE2  PHE   5           HE2      PHE   5  19.176   0.624   2.682
   47    HZ   PHE   5           HZ       PHE   5  18.741   1.376   5.004
   48    H    SER   6           HN       SER   6  12.762   2.713  -0.375
   49    HA   SER   6           HA       SER   6  11.527   1.311   1.900
   50    HB2  SER   6           HB2      SER   6   9.548   2.487   1.154
   51    HB3  SER   6           HB1      SER   6  10.909   3.599   0.997
   52    HG   SER   6           HG       SER   6   9.348   3.248  -0.859
   53    H    LYS   7           HN       LYS   7  12.082   0.773  -1.502
   54    HA   LYS   7           HA       LYS   7   9.999  -1.070  -2.119
   55    HB2  LYS   7           HB2      LYS   7  12.707  -0.330  -3.083
   56    HB3  LYS   7           HB1      LYS   7  12.114  -1.908  -3.601
   57    HG2  LYS   7           HG2      LYS   7  10.058   0.161  -3.800
   58    HG3  LYS   7           HG1      LYS   7  11.480   0.540  -4.773
   59    HD2  LYS   7           HD2      LYS   7  10.120  -2.165  -4.831
   60    HD3  LYS   7           HD1      LYS   7   9.707  -0.860  -5.943
   61    HE2  LYS   7           HE2      LYS   7  12.502  -0.971  -6.046
   62    HE3  LYS   7           HE1      LYS   7  11.993  -2.670  -6.015
   63    HZ1  LYS   7           HZ1      LYS   7  10.235  -1.959  -7.677
   64    HZ2  LYS   7           HZ2      LYS   7  11.830  -2.016  -8.258
   65    HZ3  LYS   7           HZ3      LYS   7  11.118  -0.523  -7.867
   66    H    PHE   8           HN       PHE   8  12.817  -1.404  -0.111
   67    HA   PHE   8           HA       PHE   8  12.474  -4.378  -0.050
   68    HB2  PHE   8           HB2      PHE   8  14.688  -2.644  -0.339
   69    HB3  PHE   8           HB1      PHE   8  14.818  -3.321   1.282
   70    HD1  PHE   8           HD1      PHE   8  16.215  -3.824  -1.680
   71    HD2  PHE   8           HD2      PHE   8  13.638  -5.982   0.994
   72    HE1  PHE   8           HE1      PHE   8  17.016  -5.967  -2.639
   73    HE2  PHE   8           HE2      PHE   8  14.437  -8.125   0.034
   74    HZ   PHE   8           HZ       PHE   8  16.125  -8.118  -1.782
   75    H    LEU   9           HN       LEU   9  12.715  -1.440   1.908
   76    HA   LEU   9           HA       LEU   9  12.256  -2.947   4.414
   77    HB2  LEU   9           HB2      LEU   9  12.522   0.028   3.882
   78    HB3  LEU   9           HB1      LEU   9  12.737  -0.795   5.424
   79    HG   LEU   9           HG       LEU   9  14.444  -1.228   2.958
   80   HD11  LEU   9          HD11      LEU   9  14.649   0.558   5.328
   81   HD12  LEU   9          HD12      LEU   9  15.297   0.768   3.701
   82   HD13  LEU   9          HD13      LEU   9  16.126  -0.281   4.851
   83   HD21  LEU   9          HD21      LEU   9  15.746  -2.201   5.224
   84   HD22  LEU   9          HD22      LEU   9  14.948  -3.176   3.991
   85   HD23  LEU   9          HD23      LEU   9  14.073  -2.709   5.448
   86    H    GLY  10           HN       GLY  10  10.689  -0.309   2.559
   87    HA2  GLY  10           HA2      GLY  10   8.391   0.022   4.133
   88    HA3  GLY  10           HA1      GLY  10   8.408   0.246   2.385
   89    H    ARG  11           HN       ARG  11   9.276  -2.633   2.060
   90    HA   ARG  11           HA       ARG  11   6.628  -3.778   1.801
   91    HB2  ARG  11           HB2      ARG  11   7.749  -5.267   0.487
   92    HB3  ARG  11           HB1      ARG  11   9.015  -4.046   0.588
   93    HG2  ARG  11           HG2      ARG  11  10.018  -5.238   2.487
   94    HG3  ARG  11           HG1      ARG  11   8.762  -6.474   2.382
   95    HD2  ARG  11           HD2      ARG  11   9.869  -6.081  -0.228
   96    HD3  ARG  11           HD1      ARG  11  11.201  -6.352   0.914
   97    HE   ARG  11           HE       ARG  11   9.247  -8.211   1.640
   98   HH11  ARG  11          HH11      ARG  11   9.211 -10.313   0.844
   99   HH12  ARG  11          HH12      ARG  11   9.966 -10.671  -0.674
  100   HH21  ARG  11          HH21      ARG  11  11.015  -7.421  -1.246
  101   HH22  ARG  11          HH22      ARG  11  10.981  -9.042  -1.846
  102    H    ILE  12           HN       ILE  12   8.982  -3.739   4.343
  103    HA   ILE  12           HA       ILE  12   7.503  -5.939   5.755
  104    HB   ILE  12           HB       ILE  12  10.140  -5.158   6.801
  105   HG12  ILE  12          HG12      ILE  12   9.991  -6.424   4.054
  106   HG13  ILE  12          HG11      ILE  12  10.560  -4.787   4.378
  107   HG21  ILE  12          HG21      ILE  12   8.770  -7.180   7.410
  108   HG22  ILE  12          HG22      ILE  12  10.424  -7.551   6.921
  109   HG23  ILE  12          HG23      ILE  12   9.091  -7.813   5.795
  110   HD11  ILE  12          HD11      ILE  12  12.221  -5.873   6.014
  111   HD12  ILE  12          HD12      ILE  12  12.536  -6.088   4.292
  112   HD13  ILE  12          HD13      ILE  12  11.812  -7.397   5.226
  113    H    LEU  13           HN       LEU  13   8.837  -2.687   5.942
  114    HA   LEU  13           HA       LEU  13   8.324  -2.255   8.742
  115    HB2  LEU  13           HB2      LEU  13   9.090  -0.750   6.281
  116    HB3  LEU  13           HB1      LEU  13   8.578   0.167   7.686
  117    HG   LEU  13           HG       LEU  13  11.023  -0.184   7.691
  118   HD11  LEU  13          HD11      LEU  13   9.951  -1.970   9.851
  119   HD12  LEU  13          HD12      LEU  13   9.478  -0.271   9.813
  120   HD13  LEU  13          HD13      LEU  13  11.180  -0.710   9.959
  121   HD21  LEU  13          HD21      LEU  13  11.929  -2.451   7.941
  122   HD22  LEU  13          HD22      LEU  13  11.004  -2.328   6.446
  123   HD23  LEU  13          HD23      LEU  13  10.301  -3.123   7.853
  Start of MODEL    5
    1    H1   PHE   1           HT1      PHE   1  10.129   9.707  -0.600
    2    H2   PHE   1           HT2      PHE   1   9.550  10.957   0.394
    3    H3   PHE   1           HT3      PHE   1   9.677   9.374   1.000
    4    HA   PHE   1           HA       PHE   1  11.832  11.319   0.444
    5    HB2  PHE   1           HB2      PHE   1  10.435  10.103   2.667
    6    HB3  PHE   1           HB1      PHE   1  12.157   9.740   2.768
    7    HD1  PHE   1           HD1      PHE   1   9.724  12.078   3.667
    8    HD2  PHE   1           HD2      PHE   1  13.713  11.852   2.089
    9    HE1  PHE   1           HE1      PHE   1  10.166  14.389   4.454
   10    HE2  PHE   1           HE2      PHE   1  14.154  14.163   2.874
   11    HZ   PHE   1           HZ       PHE   1  12.382  15.431   4.057
   12    H    VAL   2           HN       VAL   2  10.961   7.936   0.244
   13    HA   VAL   2           HA       VAL   2  13.649   7.326  -0.857
   14    HB   VAL   2           HB       VAL   2  13.157   5.201   0.872
   15   HG11  VAL   2          HG11      VAL   2  15.333   6.251   0.443
   16   HG12  VAL   2          HG12      VAL   2  15.029   6.181   2.179
   17   HG13  VAL   2          HG13      VAL   2  14.821   7.701   1.308
   18   HG21  VAL   2          HG21      VAL   2  12.578   6.139   3.008
   19   HG22  VAL   2          HG22      VAL   2  11.344   6.676   1.868
   20   HG23  VAL   2          HG23      VAL   2  12.626   7.780   2.366
   21    H    GLN   3           HN       GLN   3  13.142   6.327  -2.769
   22    HA   GLN   3           HA       GLN   3  10.656   4.684  -2.928
   23    HB2  GLN   3           HB2      GLN   3  10.786   5.121  -5.269
   24    HB3  GLN   3           HB1      GLN   3  11.267   6.632  -4.496
   25    HG2  GLN   3           HG2      GLN   3  13.653   5.970  -4.752
   26    HG3  GLN   3           HG1      GLN   3  13.137   4.510  -5.595
   27   HE21  GLN   3          HE21      GLN   3  12.147   7.983  -5.822
   28   HE22  GLN   3          HE22      GLN   3  12.343   8.075  -7.507
   29    H    TRP   4           HN       TRP   4  14.166   4.532  -3.494
   30    HA   TRP   4           HA       TRP   4  14.090   1.735  -4.367
   31    HB2  TRP   4           HB2      TRP   4  15.868   3.963  -4.363
   32    HB3  TRP   4           HB1      TRP   4  16.676   2.650  -3.506
   33    HD1  TRP   4           HD1      TRP   4  16.822   0.260  -4.840
   34    HE1  TRP   4           HE1      TRP   4  17.074  -0.192  -7.366
   35    HE3  TRP   4           HE3      TRP   4  15.345   4.781  -6.699
   36    HZ2  TRP   4           HZ2      TRP   4  16.698   1.182  -9.848
   37    HZ3  TRP   4           HZ3      TRP   4  15.302   5.182  -9.145
   38    HH2  TRP   4           HH2      TRP   4  15.975   3.390 -10.719
   39    H    PHE   5           HN       PHE   5  14.846   3.516  -1.391
   40    HA   PHE   5           HA       PHE   5  15.756   1.169   0.080
   41    HB2  PHE   5           HB2      PHE   5  16.012   3.858   0.327
   42    HB3  PHE   5           HB1      PHE   5  14.691   3.584   1.462
   43    HD1  PHE   5           HD1      PHE   5  15.572   3.625   3.629
   44    HD2  PHE   5           HD2      PHE   5  17.666   1.489   0.546
   45    HE1  PHE   5           HE1      PHE   5  17.192   2.785   5.310
   46    HE2  PHE   5           HE2      PHE   5  19.284   0.648   2.228
   47    HZ   PHE   5           HZ       PHE   5  19.047   1.297   4.609
   48    H    SER   6           HN       SER   6  12.670   2.651  -0.609
   49    HA   SER   6           HA       SER   6  11.266   1.324   1.612
   50    HB2  SER   6           HB2      SER   6  10.446   2.948  -0.812
   51    HB3  SER   6           HB1      SER   6   9.287   2.328   0.364
   52    HG   SER   6           HG       SER   6  10.463   3.465   1.976
   53    H    LYS   7           HN       LYS   7  12.054   0.674  -1.727
   54    HA   LYS   7           HA       LYS   7  10.013  -1.201  -2.399
   55    HB2  LYS   7           HB2      LYS   7  12.805  -0.540  -3.232
   56    HB3  LYS   7           HB1      LYS   7  12.129  -2.064  -3.804
   57    HG2  LYS   7           HG2      LYS   7  10.076  -0.172  -4.149
   58    HG3  LYS   7           HG1      LYS   7  11.548   0.637  -4.689
   59    HD2  LYS   7           HD2      LYS   7  11.954  -0.938  -6.366
   60    HD3  LYS   7           HD1      LYS   7  11.007  -2.188  -5.559
   61    HE2  LYS   7           HE2      LYS   7   8.924  -1.002  -6.096
   62    HE3  LYS   7           HE1      LYS   7   9.849   0.318  -6.838
   63    HZ1  LYS   7           HZ1      LYS   7   9.162  -1.285  -8.517
   64    HZ2  LYS   7           HZ2      LYS   7   9.911  -2.545  -7.657
   65    HZ3  LYS   7           HZ3      LYS   7  10.849  -1.308  -8.347
   66    H    PHE   8           HN       PHE   8  12.691  -1.446  -0.205
   67    HA   PHE   8           HA       PHE   8  12.312  -4.415  -0.043
   68    HB2  PHE   8           HB2      PHE   8  14.579  -2.715  -0.384
   69    HB3  PHE   8           HB1      PHE   8  14.706  -3.450   1.211
   70    HD1  PHE   8           HD1      PHE   8  13.550  -6.070   0.953
   71    HD2  PHE   8           HD2      PHE   8  15.919  -3.890  -1.891
   72    HE1  PHE   8           HE1      PHE   8  14.256  -8.204  -0.096
   73    HE2  PHE   8           HE2      PHE   8  16.625  -6.024  -2.939
   74    HZ   PHE   8           HZ       PHE   8  15.793  -8.181  -2.042
   75    H    LEU   9           HN       LEU   9  12.903  -1.442   1.838
   76    HA   LEU   9           HA       LEU   9  12.379  -2.769   4.406
   77    HB2  LEU   9           HB2      LEU   9  12.571   0.176   3.696
   78    HB3  LEU   9           HB1      LEU   9  12.844  -0.554   5.277
   79    HG   LEU   9           HG       LEU   9  14.523  -0.937   2.784
   80   HD11  LEU   9          HD11      LEU   9  15.978   0.539   3.705
   81   HD12  LEU   9          HD12      LEU   9  15.760  -0.122   5.326
   82   HD13  LEU   9          HD13      LEU   9  14.608   1.052   4.689
   83   HD21  LEU   9          HD21      LEU   9  14.691  -2.264   5.507
   84   HD22  LEU   9          HD22      LEU   9  15.944  -2.363   4.270
   85   HD23  LEU   9          HD23      LEU   9  14.352  -3.061   3.971
   86    H    GLY  10           HN       GLY  10  10.711  -0.421   2.292
   87    HA2  GLY  10           HA2      GLY  10   8.430   0.032   3.904
   88    HA3  GLY  10           HA1      GLY  10   8.432   0.128   2.142
   89    H    ARG  11           HN       ARG  11   9.404  -2.776   2.119
   90    HA   ARG  11           HA       ARG  11   6.792  -4.023   1.881
   91    HB2  ARG  11           HB2      ARG  11   9.555  -5.280   2.007
   92    HB3  ARG  11           HB1      ARG  11   8.120  -5.964   1.250
   93    HG2  ARG  11           HG2      ARG  11   9.213  -3.304   0.341
   94    HG3  ARG  11           HG1      ARG  11   9.882  -4.811  -0.271
   95    HD2  ARG  11           HD2      ARG  11   8.167  -4.195  -1.825
   96    HD3  ARG  11           HD1      ARG  11   7.446  -5.468  -0.823
   97    HE   ARG  11           HE       ARG  11   5.998  -3.831   0.079
   98   HH11  ARG  11          HH11      ARG  11   5.256  -1.734   0.389
   99   HH12  ARG  11          HH12      ARG  11   6.223  -0.393  -0.127
  100   HH21  ARG  11          HH21      ARG  11   8.800  -2.353  -1.355
  101   HH22  ARG  11          HH22      ARG  11   8.215  -0.745  -1.108
  102    H    ILE  12           HN       ILE  12   8.928  -3.466   4.498
  103    HA   ILE  12           HA       ILE  12   7.547  -5.554   6.146
  104    HB   ILE  12           HB       ILE  12  10.149  -4.643   7.101
  105   HG12  ILE  12          HG12      ILE  12   9.990  -5.860   4.328
  106   HG13  ILE  12          HG11      ILE  12  10.623  -4.266   4.729
  107   HG21  ILE  12          HG21      ILE  12  10.559  -7.034   7.225
  108   HG22  ILE  12          HG22      ILE  12   9.202  -7.360   6.148
  109   HG23  ILE  12          HG23      ILE  12   8.911  -6.721   7.766
  110   HD11  ILE  12          HD11      ILE  12  12.377  -5.305   6.116
  111   HD12  ILE  12          HD12      ILE  12  12.455  -5.890   4.453
  112   HD13  ILE  12          HD13      ILE  12  11.750  -6.904   5.712
  113    H    LEU  13           HN       LEU  13   8.915  -2.289   5.999
  114    HA   LEU  13           HA       LEU  13   8.211  -1.588   8.727
  115    HB2  LEU  13           HB2      LEU  13   9.442  -0.440   6.286
  116    HB3  LEU  13           HB1      LEU  13   8.741   0.710   7.406
  117    HG   LEU  13           HG       LEU  13  10.041  -0.729   9.194
  118   HD11  LEU  13          HD11      LEU  13  10.715  -2.192   7.029
  119   HD12  LEU  13          HD12      LEU  13  11.758  -2.049   8.444
  120   HD13  LEU  13          HD13      LEU  13  12.049  -1.039   7.028
  121   HD21  LEU  13          HD21      LEU  13  10.786   1.440   9.171
  122   HD22  LEU  13          HD22      LEU  13  10.909   1.483   7.413
  123   HD23  LEU  13          HD23      LEU  13  12.175   0.709   8.366
  Start of MODEL    6
    1    H1   PHE   1           HT1      PHE   1   9.869  10.178   0.430
    2    H2   PHE   1           HT2      PHE   1  10.576  11.396   1.380
    3    H3   PHE   1           HT3      PHE   1  11.159   9.802   1.464
    4    HA   PHE   1           HA       PHE   1  11.201  11.110  -1.159
    5    HB2  PHE   1           HB2      PHE   1  12.710  11.894   1.317
    6    HB3  PHE   1           HB1      PHE   1  13.519  12.001  -0.246
    7    HD1  PHE   1           HD1      PHE   1  11.733  12.956  -2.156
    8    HD2  PHE   1           HD2      PHE   1  11.794  13.907   2.032
    9    HE1  PHE   1           HE1      PHE   1  10.549  15.084  -2.623
   10    HE2  PHE   1           HE2      PHE   1  10.610  16.036   1.566
   11    HZ   PHE   1           HZ       PHE   1   9.988  16.625  -0.762
   12    H    VAL   2           HN       VAL   2  11.128   8.342  -0.164
   13    HA   VAL   2           HA       VAL   2  13.760   7.442  -1.246
   14    HB   VAL   2           HB       VAL   2  12.997   5.704   0.874
   15   HG11  VAL   2          HG11      VAL   2  15.277   6.824  -0.147
   16   HG12  VAL   2          HG12      VAL   2  15.209   5.931   1.373
   17   HG13  VAL   2          HG13      VAL   2  15.123   7.694   1.380
   18   HG21  VAL   2          HG21      VAL   2  12.950   7.251   2.779
   19   HG22  VAL   2          HG22      VAL   2  11.610   7.603   1.686
   20   HG23  VAL   2          HG23      VAL   2  13.045   8.629   1.681
   21    H    GLN   3           HN       GLN   3  13.131   6.270  -3.014
   22    HA   GLN   3           HA       GLN   3  10.645   4.619  -2.849
   23    HB2  GLN   3           HB2      GLN   3  10.631   4.810  -5.235
   24    HB3  GLN   3           HB1      GLN   3  11.094   6.403  -4.639
   25    HG2  GLN   3           HG2      GLN   3  13.520   5.637  -4.888
   26    HG3  GLN   3           HG1      GLN   3  12.891   4.255  -5.784
   27   HE21  GLN   3          HE21      GLN   3  13.962   5.085  -7.763
   28   HE22  GLN   3          HE22      GLN   3  13.296   6.397  -8.611
   29    H    TRP   4           HN       TRP   4  14.124   4.470  -3.459
   30    HA   TRP   4           HA       TRP   4  14.111   1.635  -4.193
   31    HB2  TRP   4           HB2      TRP   4  15.883   3.908  -4.154
   32    HB3  TRP   4           HB1      TRP   4  16.674   2.545  -3.366
   33    HD1  TRP   4           HD1      TRP   4  15.802   3.891  -6.711
   34    HE1  TRP   4           HE1      TRP   4  16.389   2.178  -8.546
   35    HE3  TRP   4           HE3      TRP   4  16.686  -0.227  -3.823
   36    HZ2  TRP   4           HZ2      TRP   4  17.134  -0.575  -8.760
   37    HZ3  TRP   4           HZ3      TRP   4  17.331  -2.379  -4.867
   38    HH2  TRP   4           HH2      TRP   4  17.557  -2.559  -7.330
   39    H    PHE   5           HN       PHE   5  14.797   3.568  -1.293
   40    HA   PHE   5           HA       PHE   5  15.700   1.310   0.310
   41    HB2  PHE   5           HB2      PHE   5  16.034   3.943   0.448
   42    HB3  PHE   5           HB1      PHE   5  14.578   3.855   1.439
   43    HD1  PHE   5           HD1      PHE   5  15.225   4.064   3.684
   44    HD2  PHE   5           HD2      PHE   5  17.484   1.510   1.069
   45    HE1  PHE   5           HE1      PHE   5  16.593   3.302   5.608
   46    HE2  PHE   5           HE2      PHE   5  18.850   0.749   2.993
   47    HZ   PHE   5           HZ       PHE   5  18.406   1.646   5.262
   48    H    SER   6           HN       SER   6  12.609   2.738  -0.481
   49    HA   SER   6           HA       SER   6  11.191   1.434   1.756
   50    HB2  SER   6           HB2      SER   6  10.746   3.712   0.546
   51    HB3  SER   6           HB1      SER   6   9.958   2.718  -0.679
   52    HG   SER   6           HG       SER   6   9.233   3.226   1.958
   53    H    LYS   7           HN       LYS   7  11.970   0.819  -1.592
   54    HA   LYS   7           HA       LYS   7   9.934  -1.059  -2.275
   55    HB2  LYS   7           HB2      LYS   7  12.651  -0.259  -3.142
   56    HB3  LYS   7           HB1      LYS   7  12.146  -1.872  -3.645
   57    HG2  LYS   7           HG2      LYS   7   9.907  -0.219  -4.065
   58    HG3  LYS   7           HG1      LYS   7  11.287   0.706  -4.656
   59    HD2  LYS   7           HD2      LYS   7  11.935  -1.040  -6.154
   60    HD3  LYS   7           HD1      LYS   7  10.841  -2.194  -5.393
   61    HE2  LYS   7           HE2      LYS   7   9.851   0.333  -6.747
   62    HE3  LYS   7           HE1      LYS   7   9.999  -1.219  -7.594
   63    HZ1  LYS   7           HZ1      LYS   7   7.848  -1.253  -6.703
   64    HZ2  LYS   7           HZ2      LYS   7   8.334  -0.550  -5.235
   65    HZ3  LYS   7           HZ3      LYS   7   8.752  -2.158  -5.589
   66    H    PHE   8           HN       PHE   8  12.573  -1.307  -0.061
   67    HA   PHE   8           HA       PHE   8  12.281  -4.289   0.010
   68    HB2  PHE   8           HB2      PHE   8  14.504  -2.547  -0.277
   69    HB3  PHE   8           HB1      PHE   8  14.621  -3.249   1.334
   70    HD1  PHE   8           HD1      PHE   8  14.575  -3.950  -2.279
   71    HD2  PHE   8           HD2      PHE   8  14.882  -5.667   1.647
   72    HE1  PHE   8           HE1      PHE   8  15.364  -6.081  -3.273
   73    HE2  PHE   8           HE2      PHE   8  15.673  -7.797   0.652
   74    HZ   PHE   8           HZ       PHE   8  15.913  -8.004  -1.807
   75    H    LEU   9           HN       LEU   9  12.867  -1.391   2.018
   76    HA   LEU   9           HA       LEU   9  12.287  -2.787   4.522
   77    HB2  LEU   9           HB2      LEU   9  12.443   0.172   3.859
   78    HB3  LEU   9           HB1      LEU   9  12.630  -0.557   5.452
   79    HG   LEU   9           HG       LEU   9  14.447  -0.961   3.064
   80   HD11  LEU   9          HD11      LEU   9  14.487   1.184   4.595
   81   HD12  LEU   9          HD12      LEU   9  15.998   0.383   4.167
   82   HD13  LEU   9          HD13      LEU   9  15.269   0.103   5.748
   83   HD21  LEU   9          HD21      LEU   9  14.241  -2.313   5.744
   84   HD22  LEU   9          HD22      LEU   9  15.812  -2.156   4.957
   85   HD23  LEU   9          HD23      LEU   9  14.508  -3.034   4.157
   86    H    GLY  10           HN       GLY  10  10.615  -0.366   2.495
   87    HA2  GLY  10           HA2      GLY  10   8.288  -0.070   4.076
   88    HA3  GLY  10           HA1      GLY  10   8.324   0.137   2.326
   89    H    ARG  11           HN       ARG  11   9.359  -2.733   2.131
   90    HA   ARG  11           HA       ARG  11   6.766  -4.012   1.802
   91    HB2  ARG  11           HB2      ARG  11   9.550  -5.215   1.761
   92    HB3  ARG  11           HB1      ARG  11   8.116  -5.827   0.939
   93    HG2  ARG  11           HG2      ARG  11   9.638  -3.279   0.326
   94    HG3  ARG  11           HG1      ARG  11   9.443  -4.688  -0.713
   95    HD2  ARG  11           HD2      ARG  11   7.706  -3.514  -1.616
   96    HD3  ARG  11           HD1      ARG  11   6.820  -4.001  -0.158
   97    HE   ARG  11           HE       ARG  11   8.487  -1.675   0.327
   98   HH11  ARG  11          HH11      ARG  11   7.456   0.303   0.602
   99   HH12  ARG  11          HH12      ARG  11   5.809   0.491   0.107
  100   HH21  ARG  11          HH21      ARG  11   5.479  -2.758  -1.038
  101   HH22  ARG  11          HH22      ARG  11   4.700  -1.232  -0.815
  102    H    ILE  12           HN       ILE  12   8.955  -3.675   4.431
  103    HA   ILE  12           HA       ILE  12   7.620  -5.940   5.876
  104    HB   ILE  12           HB       ILE  12  10.210  -5.166   6.927
  105   HG12  ILE  12          HG12      ILE  12  10.124  -5.966   4.003
  106   HG13  ILE  12          HG11      ILE  12  10.674  -4.414   4.634
  107   HG21  ILE  12          HG21      ILE  12  10.495  -7.456   7.049
  108   HG22  ILE  12          HG22      ILE  12   9.719  -7.741   5.491
  109   HG23  ILE  12          HG23      ILE  12   8.738  -7.393   6.915
  110   HD11  ILE  12          HD11      ILE  12  12.612  -5.826   4.211
  111   HD12  ILE  12          HD12      ILE  12  11.920  -7.117   5.195
  112   HD13  ILE  12          HD13      ILE  12  12.422  -5.604   5.951
  113    H    LEU  13           HN       LEU  13   8.919  -2.655   6.039
  114    HA   LEU  13           HA       LEU  13   8.477  -2.194   8.828
  115    HB2  LEU  13           HB2      LEU  13   9.111  -0.744   6.322
  116    HB3  LEU  13           HB1      LEU  13   8.457   0.226   7.631
  117    HG   LEU  13           HG       LEU  13  10.968   0.035   7.661
  118   HD11  LEU  13          HD11      LEU  13  10.652  -1.210  10.152
  119   HD12  LEU  13          HD12      LEU  13   9.092  -0.457   9.822
  120   HD13  LEU  13          HD13      LEU  13  10.559   0.522   9.825
  121   HD21  LEU  13          HD21      LEU  13  10.654  -2.507   6.945
  122   HD22  LEU  13          HD22      LEU  13  10.655  -2.753   8.692
  123   HD23  LEU  13          HD23      LEU  13  12.042  -1.999   7.905
  Start of MODEL    7
    1    H1   PHE   1           HT1      PHE   1  12.780  12.003   0.721
    2    H2   PHE   1           HT2      PHE   1  12.009  10.666   1.430
    3    H3   PHE   1           HT3      PHE   1  11.111  12.048   1.018
    4    HA   PHE   1           HA       PHE   1  10.616  10.586  -0.713
    5    HB2  PHE   1           HB2      PHE   1  12.996  12.332  -1.424
    6    HB3  PHE   1           HB1      PHE   1  11.876  11.645  -2.601
    7    HD1  PHE   1           HD1      PHE   1  12.603  14.598  -1.067
    8    HD2  PHE   1           HD2      PHE   1   9.261  11.955  -1.603
    9    HE1  PHE   1           HE1      PHE   1  11.047  16.492  -0.693
   10    HE2  PHE   1           HE2      PHE   1   7.703  13.848  -1.229
   11    HZ   PHE   1           HZ       PHE   1   8.596  16.117  -0.775
   12    H    VAL   2           HN       VAL   2  11.147   8.382  -0.326
   13    HA   VAL   2           HA       VAL   2  13.759   7.508  -1.485
   14    HB   VAL   2           HB       VAL   2  13.230   5.811   0.683
   15   HG11  VAL   2          HG11      VAL   2  15.350   6.457   1.339
   16   HG12  VAL   2          HG12      VAL   2  15.033   8.166   1.039
   17   HG13  VAL   2          HG13      VAL   2  15.363   7.080  -0.311
   18   HG21  VAL   2          HG21      VAL   2  11.572   7.547   1.431
   19   HG22  VAL   2          HG22      VAL   2  12.898   8.706   1.523
   20   HG23  VAL   2          HG23      VAL   2  12.888   7.292   2.576
   21    H    GLN   3           HN       GLN   3  13.073   6.269  -3.199
   22    HA   GLN   3           HA       GLN   3  10.641   4.570  -2.881
   23    HB2  GLN   3           HB2      GLN   3  10.606   4.589  -5.274
   24    HB3  GLN   3           HB1      GLN   3  11.062   6.225  -4.801
   25    HG2  GLN   3           HG2      GLN   3  13.470   5.568  -5.072
   26    HG3  GLN   3           HG1      GLN   3  12.930   4.010  -5.697
   27   HE21  GLN   3          HE21      GLN   3  13.122   7.472  -6.418
   28   HE22  GLN   3          HE22      GLN   3  12.680   7.337  -8.051
   29    H    TRP   4           HN       TRP   4  14.120   4.409  -3.512
   30    HA   TRP   4           HA       TRP   4  14.140   1.539  -4.056
   31    HB2  TRP   4           HB2      TRP   4  15.887   3.817  -4.149
   32    HB3  TRP   4           HB1      TRP   4  16.681   2.541  -3.227
   33    HD1  TRP   4           HD1      TRP   4  15.928  -0.031  -4.606
   34    HE1  TRP   4           HE1      TRP   4  16.563  -0.536  -7.053
   35    HE3  TRP   4           HE3      TRP   4  16.671   4.721  -6.325
   36    HZ2  TRP   4           HZ2      TRP   4  17.289   0.886  -9.426
   37    HZ3  TRP   4           HZ3      TRP   4  17.334   5.116  -8.680
   38    HH2  TRP   4           HH2      TRP   4  17.644   3.207 -10.231
   39    H    PHE   5           HN       PHE   5  14.659   3.625  -1.243
   40    HA   PHE   5           HA       PHE   5  15.610   1.470   0.487
   41    HB2  PHE   5           HB2      PHE   5  15.947   4.083   0.515
   42    HB3  PHE   5           HB1      PHE   5  14.427   4.081   1.407
   43    HD1  PHE   5           HD1      PHE   5  17.645   2.136   1.349
   44    HD2  PHE   5           HD2      PHE   5  14.584   3.991   3.725
   45    HE1  PHE   5           HE1      PHE   5  18.861   1.499   3.415
   46    HE2  PHE   5           HE2      PHE   5  15.800   3.353   5.790
   47    HZ   PHE   5           HZ       PHE   5  17.938   2.107   5.635
   48    H    SER   6           HN       SER   6  12.506   2.837  -0.393
   49    HA   SER   6           HA       SER   6  11.100   1.552   1.870
   50    HB2  SER   6           HB2      SER   6  10.685   3.842   0.610
   51    HB3  SER   6           HB1      SER   6   9.791   2.822  -0.517
   52    HG   SER   6           HG       SER   6   9.178   3.582   2.041
   53    H    LYS   7           HN       LYS   7  11.829   0.953  -1.498
   54    HA   LYS   7           HA       LYS   7   9.755  -0.945  -2.088
   55    HB2  LYS   7           HB2      LYS   7  12.374  -0.050  -3.152
   56    HB3  LYS   7           HB1      LYS   7  11.867  -1.664  -3.651
   57    HG2  LYS   7           HG2      LYS   7   9.616   0.127  -3.794
   58    HG3  LYS   7           HG1      LYS   7  10.971   0.822  -4.684
   59    HD2  LYS   7           HD2      LYS   7  10.496  -2.084  -5.087
   60    HD3  LYS   7           HD1      LYS   7   9.281  -0.999  -5.763
   61    HE2  LYS   7           HE2      LYS   7  12.019  -0.073  -6.275
   62    HE3  LYS   7           HE1      LYS   7  11.677  -1.658  -6.994
   63    HZ1  LYS   7           HZ1      LYS   7  10.940   0.558  -8.184
   64    HZ2  LYS   7           HZ2      LYS   7   9.609   0.418  -7.139
   65    HZ3  LYS   7           HZ3      LYS   7   9.965  -0.828  -8.237
   66    H    PHE   8           HN       PHE   8  12.546  -1.154  -0.067
   67    HA   PHE   8           HA       PHE   8  12.378  -4.149  -0.080
   68    HB2  PHE   8           HB2      PHE   8  14.506  -2.355  -0.467
   69    HB3  PHE   8           HB1      PHE   8  14.724  -2.968   1.170
   70    HD1  PHE   8           HD1      PHE   8  13.519  -5.685   0.893
   71    HD2  PHE   8           HD2      PHE   8  16.171  -3.517  -1.699
   72    HE1  PHE   8           HE1      PHE   8  14.378  -7.825  -0.016
   73    HE2  PHE   8           HE2      PHE   8  17.030  -5.658  -2.609
   74    HZ   PHE   8           HZ       PHE   8  16.134  -7.812  -1.768
   75    H    LEU   9           HN       LEU   9  12.658  -1.244   1.944
   76    HA   LEU   9           HA       LEU   9  12.372  -2.802   4.432
   77    HB2  LEU   9           HB2      LEU   9  12.361   0.195   3.971
   78    HB3  LEU   9           HB1      LEU   9  12.772  -0.655   5.458
   79    HG   LEU   9           HG       LEU   9  14.314  -0.808   2.852
   80   HD11  LEU   9          HD11      LEU   9  15.674   0.137   5.268
   81   HD12  LEU   9          HD12      LEU   9  14.338   1.183   4.783
   82   HD13  LEU   9          HD13      LEU   9  15.645   0.840   3.650
   83   HD21  LEU   9          HD21      LEU   9  15.975  -1.945   4.532
   84   HD22  LEU   9          HD22      LEU   9  14.653  -2.897   3.857
   85   HD23  LEU   9          HD23      LEU   9  14.524  -2.241   5.489
   86    H    GLY  10           HN       GLY  10  10.477  -0.497   2.483
   87    HA2  GLY  10           HA2      GLY  10   8.248  -0.260   4.235
   88    HA3  GLY  10           HA1      GLY  10   8.177  -0.034   2.487
   89    H    ARG  11           HN       ARG  11   9.251  -2.817   2.086
   90    HA   ARG  11           HA       ARG  11   6.707  -4.195   1.927
   91    HB2  ARG  11           HB2      ARG  11   9.524  -5.295   1.697
   92    HB3  ARG  11           HB1      ARG  11   8.067  -5.943   0.946
   93    HG2  ARG  11           HG2      ARG  11   9.571  -3.419   0.271
   94    HG3  ARG  11           HG1      ARG  11   9.089  -4.734  -0.801
   95    HD2  ARG  11           HD2      ARG  11   7.267  -2.673   0.488
   96    HD3  ARG  11           HD1      ARG  11   7.580  -2.899  -1.243
   97    HE   ARG  11           HE       ARG  11   6.714  -5.395  -0.329
   98   HH11  ARG  11          HH11      ARG  11   4.566  -6.041  -0.427
   99   HH12  ARG  11          HH12      ARG  11   3.310  -4.850  -0.480
  100   HH21  ARG  11          HH21      ARG  11   5.474  -2.148  -0.376
  101   HH22  ARG  11          HH22      ARG  11   3.824  -2.660  -0.452
  102    H    ILE  12           HN       ILE  12   9.060  -3.856   4.424
  103    HA   ILE  12           HA       ILE  12   7.905  -6.218   5.872
  104    HB   ILE  12           HB       ILE  12  10.446  -5.234   6.879
  105   HG12  ILE  12          HG12      ILE  12  10.274  -5.941   3.938
  106   HG13  ILE  12          HG11      ILE  12  10.883  -4.441   4.636
  107   HG21  ILE  12          HG21      ILE  12  10.881  -7.485   7.040
  108   HG22  ILE  12          HG22      ILE  12  10.186  -7.838   5.458
  109   HG23  ILE  12          HG23      ILE  12   9.130  -7.583   6.847
  110   HD11  ILE  12          HD11      ILE  12  12.834  -5.696   4.146
  111   HD12  ILE  12          HD12      ILE  12  12.121  -7.193   4.748
  112   HD13  ILE  12          HD13      ILE  12  12.588  -5.922   5.877
  113    H    LEU  13           HN       LEU  13   8.631  -2.796   5.957
  114    HA   LEU  13           HA       LEU  13   8.184  -2.514   8.834
  115    HB2  LEU  13           HB2      LEU  13   8.949  -0.920   6.449
  116    HB3  LEU  13           HB1      LEU  13   8.226  -0.037   7.779
  117    HG   LEU  13           HG       LEU  13   9.965  -1.601   9.139
  118   HD11  LEU  13          HD11      LEU  13  11.140  -1.116   6.393
  119   HD12  LEU  13          HD12      LEU  13  10.925  -2.667   7.205
  120   HD13  LEU  13          HD13      LEU  13  12.118  -1.515   7.807
  121   HD21  LEU  13          HD21      LEU  13  11.137   0.364   9.544
  122   HD22  LEU  13          HD22      LEU  13   9.644   1.017   8.867
  123   HD23  LEU  13          HD23      LEU  13  11.080   0.864   7.853
  Start of MODEL    8
    1    H1   PHE   1           HT1      PHE   1  12.229  12.678  -0.816
    2    H2   PHE   1           HT2      PHE   1  13.680  11.842  -0.534
    3    H3   PHE   1           HT3      PHE   1  12.844  12.558   0.761
    4    HA   PHE   1           HA       PHE   1  11.775  10.647   1.102
    5    HB2  PHE   1           HB2      PHE   1  10.345  12.038  -0.599
    6    HB3  PHE   1           HB1      PHE   1  10.809  10.781  -1.747
    7    HD1  PHE   1           HD1      PHE   1   9.801  10.855   1.874
    8    HD2  PHE   1           HD2      PHE   1   9.177   9.147  -2.017
    9    HE1  PHE   1           HE1      PHE   1   8.059   9.359   2.810
   10    HE2  PHE   1           HE2      PHE   1   7.436   7.650  -1.081
   11    HZ   PHE   1           HZ       PHE   1   6.877   7.756   1.332
   12    H    VAL   2           HN       VAL   2  11.564   8.302   0.375
   13    HA   VAL   2           HA       VAL   2  13.707   7.507  -1.559
   14    HB   VAL   2           HB       VAL   2  13.734   5.630   0.518
   15   HG11  VAL   2          HG11      VAL   2  15.459   7.705  -0.621
   16   HG12  VAL   2          HG12      VAL   2  15.866   6.071  -0.101
   17   HG13  VAL   2          HG13      VAL   2  15.808   7.381   1.077
   18   HG21  VAL   2          HG21      VAL   2  13.674   8.438   1.662
   19   HG22  VAL   2          HG22      VAL   2  13.950   6.943   2.557
   20   HG23  VAL   2          HG23      VAL   2  12.370   7.263   1.840
   21    H    GLN   3           HN       GLN   3  12.584   6.387  -3.112
   22    HA   GLN   3           HA       GLN   3  10.246   4.721  -2.291
   23    HB2  GLN   3           HB2      GLN   3   9.473   5.100  -4.455
   24    HB3  GLN   3           HB1      GLN   3  10.423   6.563  -4.196
   25    HG2  GLN   3           HG2      GLN   3  12.382   5.400  -5.257
   26    HG3  GLN   3           HG1      GLN   3  11.315   4.049  -5.640
   27   HE21  GLN   3          HE21      GLN   3  11.233   7.654  -5.974
   28   HE22  GLN   3          HE22      GLN   3  10.604   7.635  -7.550
   29    H    TRP   4           HN       TRP   4  13.422   4.554  -3.844
   30    HA   TRP   4           HA       TRP   4  13.213   1.766  -4.638
   31    HB2  TRP   4           HB2      TRP   4  15.062   4.001  -4.750
   32    HB3  TRP   4           HB1      TRP   4  15.910   2.515  -4.324
   33    HD1  TRP   4           HD1      TRP   4  13.828   4.099  -7.100
   34    HE1  TRP   4           HE1      TRP   4  14.099   2.699  -9.247
   35    HE3  TRP   4           HE3      TRP   4  16.459   0.134  -5.242
   36    HZ2  TRP   4           HZ2      TRP   4  15.276   0.225 -10.069
   37    HZ3  TRP   4           HZ3      TRP   4  17.143  -1.728  -6.729
   38    HH2  TRP   4           HH2      TRP   4  16.555  -1.688  -9.137
   39    H    PHE   5           HN       PHE   5  14.518   3.498  -1.821
   40    HA   PHE   5           HA       PHE   5  15.648   1.130  -0.565
   41    HB2  PHE   5           HB2      PHE   5  16.335   3.537  -0.235
   42    HB3  PHE   5           HB1      PHE   5  14.820   3.794   0.631
   43    HD1  PHE   5           HD1      PHE   5  17.625   1.291   0.583
   44    HD2  PHE   5           HD2      PHE   5  14.918   3.641   2.949
   45    HE1  PHE   5           HE1      PHE   5  18.659   0.397   2.652
   46    HE2  PHE   5           HE2      PHE   5  15.952   2.747   5.019
   47    HZ   PHE   5           HZ       PHE   5  17.823   1.126   4.871
   48    H    SER   6           HN       SER   6  12.563   2.867  -0.388
   49    HA   SER   6           HA       SER   6  11.497   1.524   1.919
   50    HB2  SER   6           HB2      SER   6  10.712   3.400  -0.129
   51    HB3  SER   6           HB1      SER   6   9.429   2.211   0.095
   52    HG   SER   6           HG       SER   6  10.311   4.185   1.769
   53    H    LYS   7           HN       LYS   7  11.810   0.624  -1.450
   54    HA   LYS   7           HA       LYS   7   9.826  -1.407  -1.651
   55    HB2  LYS   7           HB2      LYS   7  12.595  -1.135  -2.861
   56    HB3  LYS   7           HB1      LYS   7  11.342  -2.221  -3.464
   57    HG2  LYS   7           HG2      LYS   7  10.338   0.493  -3.106
   58    HG3  LYS   7           HG1      LYS   7  11.712   0.448  -4.210
   59    HD2  LYS   7           HD2      LYS   7  10.542  -1.490  -5.383
   60    HD3  LYS   7           HD1      LYS   7   9.119  -1.100  -4.417
   61    HE2  LYS   7           HE2      LYS   7   9.411   1.318  -5.312
   62    HE3  LYS   7           HE1      LYS   7  10.471   0.585  -6.532
   63    HZ1  LYS   7           HZ1      LYS   7   8.521   0.178  -7.575
   64    HZ2  LYS   7           HZ2      LYS   7   7.601   0.300  -6.152
   65    HZ3  LYS   7           HZ3      LYS   7   8.432  -1.138  -6.508
   66    H    PHE   8           HN       PHE   8  12.885  -1.343   0.034
   67    HA   PHE   8           HA       PHE   8  12.716  -4.293   0.539
   68    HB2  PHE   8           HB2      PHE   8  14.780  -2.427  -0.167
   69    HB3  PHE   8           HB1      PHE   8  15.143  -3.081   1.426
   70    HD1  PHE   8           HD1      PHE   8  16.574  -4.914   1.362
   71    HD2  PHE   8           HD2      PHE   8  13.645  -4.437  -1.744
   72    HE1  PHE   8           HE1      PHE   8  17.335  -7.032   0.320
   73    HE2  PHE   8           HE2      PHE   8  14.406  -6.555  -2.787
   74    HZ   PHE   8           HZ       PHE   8  16.250  -7.852  -1.754
   75    H    LEU   9           HN       LEU   9  12.668  -1.101   1.923
   76    HA   LEU   9           HA       LEU   9  12.897  -2.057   4.703
   77    HB2  LEU   9           HB2      LEU   9  14.061  -0.084   4.325
   78    HB3  LEU   9           HB1      LEU   9  12.941   0.468   3.100
   79    HG   LEU   9           HG       LEU   9  11.292   0.982   4.789
   80   HD11  LEU   9          HD11      LEU   9  13.355   0.186   6.855
   81   HD12  LEU   9          HD12      LEU   9  12.038  -0.874   6.356
   82   HD13  LEU   9          HD13      LEU   9  11.684   0.662   7.147
   83   HD21  LEU   9          HD21      LEU   9  13.872   2.221   4.569
   84   HD22  LEU   9          HD22      LEU   9  13.287   2.395   6.225
   85   HD23  LEU   9          HD23      LEU   9  12.311   2.984   4.878
   86    H    GLY  10           HN       GLY  10  10.672  -0.089   2.737
   87    HA2  GLY  10           HA2      GLY  10   8.515  -0.126   4.622
   88    HA3  GLY  10           HA1      GLY  10   8.344   0.232   2.903
   89    H    ARG  11           HN       ARG  11   9.558  -2.387   2.155
   90    HA   ARG  11           HA       ARG  11   7.200  -3.953   1.881
   91    HB2  ARG  11           HB2      ARG  11   8.620  -5.062   0.524
   92    HB3  ARG  11           HB1      ARG  11   9.875  -3.941   1.043
   93    HG2  ARG  11           HG2      ARG  11  10.492  -5.430   2.881
   94    HG3  ARG  11           HG1      ARG  11   9.182  -6.534   2.455
   95    HD2  ARG  11           HD2      ARG  11  10.500  -6.238   0.052
   96    HD3  ARG  11           HD1      ARG  11  11.832  -6.246   1.225
   97    HE   ARG  11           HE       ARG  11   9.866  -8.270   1.870
   98   HH11  ARG  11          HH11      ARG  11  10.420 -10.420   1.518
   99   HH12  ARG  11          HH12      ARG  11  11.747 -10.805   0.474
  100   HH21  ARG  11          HH21      ARG  11  12.501  -7.508  -0.264
  101   HH22  ARG  11          HH22      ARG  11  12.916  -9.166  -0.526
  102    H    ILE  12           HN       ILE  12   9.533  -3.697   4.468
  103    HA   ILE  12           HA       ILE  12   8.744  -6.192   5.801
  104    HB   ILE  12           HB       ILE  12  10.189  -3.825   7.007
  105   HG12  ILE  12          HG12      ILE  12  11.051  -5.628   4.793
  106   HG13  ILE  12          HG11      ILE  12  11.460  -3.940   5.088
  107   HG21  ILE  12          HG21      ILE  12  11.304  -5.504   8.309
  108   HG22  ILE  12          HG22      ILE  12  10.698  -6.798   7.277
  109   HG23  ILE  12          HG23      ILE  12   9.592  -5.918   8.331
  110   HD11  ILE  12          HD11      ILE  12  12.783  -4.748   7.115
  111   HD12  ILE  12          HD12      ILE  12  13.453  -5.185   5.543
  112   HD13  ILE  12          HD13      ILE  12  12.570  -6.384   6.487
  113    H    LEU  13           HN       LEU  13   8.012  -2.747   6.021
  114    HA   LEU  13           HA       LEU  13   6.428  -2.946   8.444
  115    HB2  LEU  13           HB2      LEU  13   7.027  -0.927   6.288
  116    HB3  LEU  13           HB1      LEU  13   5.932  -0.563   7.603
  117    HG   LEU  13           HG       LEU  13   8.000  -1.594   8.998
  118   HD11  LEU  13          HD11      LEU  13   9.133  -0.364   6.479
  119   HD12  LEU  13          HD12      LEU  13   9.453  -1.973   7.130
  120   HD13  LEU  13          HD13      LEU  13  10.072  -0.546   7.960
  121   HD21  LEU  13          HD21      LEU  13   7.012   1.058   8.320
  122   HD22  LEU  13          HD22      LEU  13   8.741   1.083   8.667
  123   HD23  LEU  13          HD23      LEU  13   7.610   0.454   9.866
  Start of MODEL    9
    1    H1   PHE   1           HT1      PHE   1  11.591  12.186   1.446
    2    H2   PHE   1           HT2      PHE   1  12.946  11.161   1.411
    3    H3   PHE   1           HT3      PHE   1  11.587  10.744   2.340
    4    HA   PHE   1           HA       PHE   1  10.379  10.035   0.548
    5    HB2  PHE   1           HB2      PHE   1  11.703  12.427  -0.514
    6    HB3  PHE   1           HB1      PHE   1  11.491  11.171  -1.732
    7    HD1  PHE   1           HD1      PHE   1   9.519  12.555   1.155
    8    HD2  PHE   1           HD2      PHE   1   9.522  11.316  -2.957
    9    HE1  PHE   1           HE1      PHE   1   7.114  13.136   0.979
   10    HE2  PHE   1           HE2      PHE   1   7.118  11.896  -3.134
   11    HZ   PHE   1           HZ       PHE   1   5.914  12.807  -1.167
   12    H    VAL   2           HN       VAL   2  11.008   7.940   0.192
   13    HA   VAL   2           HA       VAL   2  13.556   7.448  -1.278
   14    HB   VAL   2           HB       VAL   2  13.488   5.448   0.631
   15   HG11  VAL   2          HG11      VAL   2  15.301   7.183  -0.242
   16   HG12  VAL   2          HG12      VAL   2  15.509   6.364   1.306
   17   HG13  VAL   2          HG13      VAL   2  14.894   8.016   1.259
   18   HG21  VAL   2          HG21      VAL   2  11.631   6.728   1.755
   19   HG22  VAL   2          HG22      VAL   2  12.764   8.058   1.993
   20   HG23  VAL   2          HG23      VAL   2  13.056   6.502   2.769
   21    H    GLN   3           HN       GLN   3  12.738   6.414  -3.077
   22    HA   GLN   3           HA       GLN   3  10.450   4.544  -2.801
   23    HB2  GLN   3           HB2      GLN   3  10.359   4.739  -5.197
   24    HB3  GLN   3           HB1      GLN   3  10.715   6.354  -4.585
   25    HG2  GLN   3           HG2      GLN   3  13.139   5.933  -4.977
   26    HG3  GLN   3           HG1      GLN   3  12.731   4.363  -5.670
   27   HE21  GLN   3          HE21      GLN   3  12.980   7.755  -6.349
   28   HE22  GLN   3          HE22      GLN   3  12.350   7.703  -7.924
   29    H    TRP   4           HN       TRP   4  13.885   4.568  -3.700
   30    HA   TRP   4           HA       TRP   4  13.994   1.759  -4.427
   31    HB2  TRP   4           HB2      TRP   4  15.560   4.019  -4.686
   32    HB3  TRP   4           HB1      TRP   4  16.450   3.079  -3.488
   33    HD1  TRP   4           HD1      TRP   4  16.979   0.462  -4.206
   34    HE1  TRP   4           HE1      TRP   4  17.585  -0.486  -6.526
   35    HE3  TRP   4           HE3      TRP   4  15.297   4.260  -7.175
   36    HZ2  TRP   4           HZ2      TRP   4  17.382   0.269  -9.278
   37    HZ3  TRP   4           HZ3      TRP   4  15.516   4.121  -9.639
   38    HH2  TRP   4           HH2      TRP   4  16.555   2.132 -10.694
   39    H    PHE   5           HN       PHE   5  14.696   3.634  -1.493
   40    HA   PHE   5           HA       PHE   5  15.706   1.361   0.020
   41    HB2  PHE   5           HB2      PHE   5  15.936   4.020   0.211
   42    HB3  PHE   5           HB1      PHE   5  14.553   3.818   1.285
   43    HD1  PHE   5           HD1      PHE   5  17.571   1.688   0.626
   44    HD2  PHE   5           HD2      PHE   5  15.291   3.921   3.501
   45    HE1  PHE   5           HE1      PHE   5  19.088   0.916   2.429
   46    HE2  PHE   5           HE2      PHE   5  16.807   3.148   5.304
   47    HZ   PHE   5           HZ       PHE   5  18.707   1.646   4.769
   48    H    SER   6           HN       SER   6  12.551   2.631  -0.718
   49    HA   SER   6           HA       SER   6  11.225   1.362   1.584
   50    HB2  SER   6           HB2      SER   6   9.203   2.247   0.419
   51    HB3  SER   6           HB1      SER   6  10.445   3.484   0.619
   52    HG   SER   6           HG       SER   6  10.057   1.908  -1.705
   53    H    LYS   7           HN       LYS   7  12.041   0.557  -1.716
   54    HA   LYS   7           HA       LYS   7  10.088  -1.462  -2.245
   55    HB2  LYS   7           HB2      LYS   7  12.870  -0.783  -3.154
   56    HB3  LYS   7           HB1      LYS   7  12.122  -2.281  -3.711
   57    HG2  LYS   7           HG2      LYS   7  10.082  -0.491  -4.077
   58    HG3  LYS   7           HG1      LYS   7  11.488   0.517  -4.415
   59    HD2  LYS   7           HD2      LYS   7  12.302  -1.395  -5.920
   60    HD3  LYS   7           HD1      LYS   7  10.676  -2.061  -5.769
   61    HE2  LYS   7           HE2      LYS   7   9.693  -0.242  -6.904
   62    HE3  LYS   7           HE1      LYS   7  11.083   0.817  -6.598
   63    HZ1  LYS   7           HZ1      LYS   7  12.439  -0.693  -7.957
   64    HZ2  LYS   7           HZ2      LYS   7  11.165  -0.020  -8.858
   65    HZ3  LYS   7           HZ3      LYS   7  11.064  -1.623  -8.304
   66    H    PHE   8           HN       PHE   8  12.797  -1.421  -0.086
   67    HA   PHE   8           HA       PHE   8  12.649  -4.402   0.204
   68    HB2  PHE   8           HB2      PHE   8  14.777  -2.604  -0.237
   69    HB3  PHE   8           HB1      PHE   8  14.919  -3.093   1.449
   70    HD1  PHE   8           HD1      PHE   8  13.743  -5.841   1.299
   71    HD2  PHE   8           HD2      PHE   8  16.520  -3.827  -1.286
   72    HE1  PHE   8           HE1      PHE   8  14.665  -8.030   0.584
   73    HE2  PHE   8           HE2      PHE   8  17.442  -6.015  -2.001
   74    HZ   PHE   8           HZ       PHE   8  16.514  -8.117  -1.067
   75    H    LEU   9           HN       LEU   9  12.770  -1.299   1.920
   76    HA   LEU   9           HA       LEU   9  12.356  -2.601   4.540
   77    HB2  LEU   9           HB2      LEU   9  12.404   0.331   3.773
   78    HB3  LEU   9           HB1      LEU   9  12.714  -0.360   5.364
   79    HG   LEU   9           HG       LEU   9  14.405  -0.806   2.888
   80   HD11  LEU   9          HD11      LEU   9  16.062   0.568   3.997
   81   HD12  LEU   9          HD12      LEU   9  15.061   0.684   5.445
   82   HD13  LEU   9          HD13      LEU   9  14.549   1.474   3.953
   83   HD21  LEU   9          HD21      LEU   9  14.423  -1.945   5.667
   84   HD22  LEU   9          HD22      LEU   9  15.951  -1.728   4.813
   85   HD23  LEU   9          HD23      LEU   9  14.698  -2.762   4.128
   86    H    GLY  10           HN       GLY  10  10.604  -0.437   2.304
   87    HA2  GLY  10           HA2      GLY  10   8.283  -0.033   3.881
   88    HA3  GLY  10           HA1      GLY  10   8.306   0.011   2.118
   89    H    ARG  11           HN       ARG  11   9.371  -2.811   2.082
   90    HA   ARG  11           HA       ARG  11   6.820  -4.178   1.925
   91    HB2  ARG  11           HB2      ARG  11   9.625  -5.329   1.967
   92    HB3  ARG  11           HB1      ARG  11   8.200  -6.026   1.199
   93    HG2  ARG  11           HG2      ARG  11   9.786  -3.597   0.369
   94    HG3  ARG  11           HG1      ARG  11   9.360  -5.012  -0.591
   95    HD2  ARG  11           HD2      ARG  11   7.486  -2.818   0.358
   96    HD3  ARG  11           HD1      ARG  11   7.897  -3.234  -1.317
   97    HE   ARG  11           HE       ARG  11   6.956  -5.617  -0.279
   98   HH11  ARG  11          HH11      ARG  11   4.799  -6.250  -0.320
   99   HH12  ARG  11          HH12      ARG  11   3.553  -5.049  -0.392
  100   HH21  ARG  11          HH21      ARG  11   5.739  -2.365  -0.412
  101   HH22  ARG  11          HH22      ARG  11   4.085  -2.865  -0.444
  102    H    ILE  12           HN       ILE  12   9.051  -3.596   4.488
  103    HA   ILE  12           HA       ILE  12   7.788  -5.777   6.119
  104    HB   ILE  12           HB       ILE  12  10.285  -4.709   7.152
  105   HG12  ILE  12          HG12      ILE  12  10.260  -5.714   4.294
  106   HG13  ILE  12          HG11      ILE  12  10.859  -4.159   4.869
  107   HG21  ILE  12          HG21      ILE  12  10.894  -7.061   7.165
  108   HG22  ILE  12          HG22      ILE  12   9.599  -7.441   6.031
  109   HG23  ILE  12          HG23      ILE  12   9.211  -6.917   7.669
  110   HD11  ILE  12          HD11      ILE  12  12.557  -5.379   6.245
  111   HD12  ILE  12          HD12      ILE  12  12.753  -5.647   4.513
  112   HD13  ILE  12          HD13      ILE  12  12.007  -6.889   5.519
  113    H    LEU  13           HN       LEU  13   8.567  -2.369   5.881
  114    HA   LEU  13           HA       LEU  13   7.966  -1.773   8.679
  115    HB2  LEU  13           HB2      LEU  13   8.864  -0.447   6.177
  116    HB3  LEU  13           HB1      LEU  13   8.085   0.575   7.369
  117    HG   LEU  13           HG       LEU  13   9.744  -0.849   8.967
  118   HD11  LEU  13          HD11      LEU  13  10.838  -2.106   7.264
  119   HD12  LEU  13          HD12      LEU  13  11.971  -0.823   7.693
  120   HD13  LEU  13          HD13      LEU  13  11.002  -0.691   6.225
  121   HD21  LEU  13          HD21      LEU  13  11.129   1.120   9.043
  122   HD22  LEU  13          HD22      LEU  13   9.483   1.661   8.714
  123   HD23  LEU  13          HD23      LEU  13  10.661   1.578   7.405
  Start of MODEL   10
    1    H1   PHE   1           HT1      PHE   1  10.613  10.417   1.879
    2    H2   PHE   1           HT2      PHE   1  11.646  11.728   1.563
    3    H3   PHE   1           HT3      PHE   1  12.283  10.161   1.724
    4    HA   PHE   1           HA       PHE   1  10.286  10.233  -0.310
    5    HB2  PHE   1           HB2      PHE   1  12.572  12.214  -0.311
    6    HB3  PHE   1           HB1      PHE   1  11.760  11.710  -1.793
    7    HD1  PHE   1           HD1      PHE   1   9.047  11.689  -1.512
    8    HD2  PHE   1           HD2      PHE   1  11.794  14.178   0.660
    9    HE1  PHE   1           HE1      PHE   1   7.225  13.310  -1.065
   10    HE2  PHE   1           HE2      PHE   1   9.971  15.798   1.108
   11    HZ   PHE   1           HZ       PHE   1   7.687  15.365   0.246
   12    H    VAL   2           HN       VAL   2  11.101   7.970   0.132
   13    HA   VAL   2           HA       VAL   2  13.544   7.430  -1.509
   14    HB   VAL   2           HB       VAL   2  13.340   5.552   0.639
   15   HG11  VAL   2          HG11      VAL   2  15.238   7.692  -0.274
   16   HG12  VAL   2          HG12      VAL   2  15.476   5.946  -0.208
   17   HG13  VAL   2          HG13      VAL   2  15.517   6.897   1.276
   18   HG21  VAL   2          HG21      VAL   2  13.286   8.456   1.519
   19   HG22  VAL   2          HG22      VAL   2  13.550   7.065   2.570
   20   HG23  VAL   2          HG23      VAL   2  11.990   7.288   1.780
   21    H    GLN   3           HN       GLN   3  12.764   6.217  -3.192
   22    HA   GLN   3           HA       GLN   3  10.469   4.375  -2.730
   23    HB2  GLN   3           HB2      GLN   3  10.051   4.686  -4.989
   24    HB3  GLN   3           HB1      GLN   3  10.919   6.184  -4.649
   25    HG2  GLN   3           HG2      GLN   3  13.047   5.017  -5.314
   26    HG3  GLN   3           HG1      GLN   3  12.072   3.636  -5.816
   27   HE21  GLN   3          HE21      GLN   3  10.177   4.322  -7.401
   28   HE22  GLN   3          HE22      GLN   3  10.591   5.455  -8.595
   29    H    TRP   4           HN       TRP   4  13.880   4.395  -3.669
   30    HA   TRP   4           HA       TRP   4  13.966   1.552  -4.336
   31    HB2  TRP   4           HB2      TRP   4  15.584   3.891  -4.545
   32    HB3  TRP   4           HB1      TRP   4  16.518   2.687  -3.658
   33    HD1  TRP   4           HD1      TRP   4  15.106   3.465  -7.067
   34    HE1  TRP   4           HE1      TRP   4  15.888   1.673  -8.748
   35    HE3  TRP   4           HE3      TRP   4  17.184   0.087  -3.852
   36    HZ2  TRP   4           HZ2      TRP   4  17.220  -0.861  -8.730
   37    HZ3  TRP   4           HZ3      TRP   4  18.200  -2.005  -4.707
   38    HH2  TRP   4           HH2      TRP   4  18.222  -2.483  -7.140
   39    H    PHE   5           HN       PHE   5  14.781   3.561  -1.520
   40    HA   PHE   5           HA       PHE   5  15.874   1.354   0.041
   41    HB2  PHE   5           HB2      PHE   5  16.311   3.895   0.177
   42    HB3  PHE   5           HB1      PHE   5  14.780   3.988   1.047
   43    HD1  PHE   5           HD1      PHE   5  15.086   4.140   3.351
   44    HD2  PHE   5           HD2      PHE   5  17.686   1.606   1.055
   45    HE1  PHE   5           HE1      PHE   5  16.230   3.429   5.433
   46    HE2  PHE   5           HE2      PHE   5  18.830   0.895   3.137
   47    HZ   PHE   5           HZ       PHE   5  18.102   1.806   5.325
   48    H    SER   6           HN       SER   6  12.699   2.799  -0.426
   49    HA   SER   6           HA       SER   6  11.499   1.469   1.900
   50    HB2  SER   6           HB2      SER   6  10.601   3.175  -0.414
   51    HB3  SER   6           HB1      SER   6   9.405   2.373   0.605
   52    HG   SER   6           HG       SER   6   9.708   3.947   1.934
   53    H    LYS   7           HN       LYS   7  11.920   0.844  -1.526
   54    HA   LYS   7           HA       LYS   7   9.896  -1.093  -1.981
   55    HB2  LYS   7           HB2      LYS   7  12.506  -0.263  -3.096
   56    HB3  LYS   7           HB1      LYS   7  12.006  -1.902  -3.514
   57    HG2  LYS   7           HG2      LYS   7   9.754  -0.109  -3.729
   58    HG3  LYS   7           HG1      LYS   7  11.103   0.515  -4.679
   59    HD2  LYS   7           HD2      LYS   7  10.877  -1.118  -6.222
   60    HD3  LYS   7           HD1      LYS   7  10.814  -2.370  -4.982
   61    HE2  LYS   7           HE2      LYS   7   8.528  -2.443  -5.021
   62    HE3  LYS   7           HE1      LYS   7   8.387  -0.679  -5.141
   63    HZ1  LYS   7           HZ1      LYS   7   9.556  -2.153  -7.394
   64    HZ2  LYS   7           HZ2      LYS   7   8.647  -0.718  -7.401
   65    HZ3  LYS   7           HZ3      LYS   7   7.873  -2.216  -7.198
   66    H    PHE   8           HN       PHE   8  12.808  -1.291  -0.089
   67    HA   PHE   8           HA       PHE   8  12.558  -4.273   0.054
   68    HB2  PHE   8           HB2      PHE   8  14.704  -2.499  -0.361
   69    HB3  PHE   8           HB1      PHE   8  14.903  -3.085   1.288
   70    HD1  PHE   8           HD1      PHE   8  15.123  -5.514   1.747
   71    HD2  PHE   8           HD2      PHE   8  14.926  -3.975  -2.259
   72    HE1  PHE   8           HE1      PHE   8  15.976  -7.673   0.875
   73    HE2  PHE   8           HE2      PHE   8  15.778  -6.136  -3.130
   74    HZ   PHE   8           HZ       PHE   8  16.303  -7.984  -1.563
   75    H    LEU   9           HN       LEU   9  12.709  -1.283   1.928
   76    HA   LEU   9           HA       LEU   9  12.378  -2.760   4.477
   77    HB2  LEU   9           HB2      LEU   9  12.574   0.212   3.907
   78    HB3  LEU   9           HB1      LEU   9  12.865  -0.595   5.445
   79    HG   LEU   9           HG       LEU   9  14.493  -0.989   2.918
   80   HD11  LEU   9          HD11      LEU   9  15.938  -0.009   5.215
   81   HD12  LEU   9          HD12      LEU   9  14.574   1.057   4.873
   82   HD13  LEU   9          HD13      LEU   9  15.770   0.727   3.620
   83   HD21  LEU   9          HD21      LEU   9  15.952  -1.998   4.996
   84   HD22  LEU   9          HD22      LEU   9  14.924  -2.977   3.948
   85   HD23  LEU   9          HD23      LEU   9  14.315  -2.412   5.503
   86    H    GLY  10           HN       GLY  10  10.734  -0.160   2.635
   87    HA2  GLY  10           HA2      GLY  10   8.467   0.126   4.281
   88    HA3  GLY  10           HA1      GLY  10   8.458   0.414   2.542
   89    H    ARG  11           HN       ARG  11   9.347  -2.472   2.145
   90    HA   ARG  11           HA       ARG  11   6.684  -3.604   1.877
   91    HB2  ARG  11           HB2      ARG  11   7.776  -5.049   0.492
   92    HB3  ARG  11           HB1      ARG  11   9.056  -3.846   0.613
   93    HG2  ARG  11           HG2      ARG  11  10.082  -5.109   2.454
   94    HG3  ARG  11           HG1      ARG  11   8.801  -6.321   2.345
   95    HD2  ARG  11           HD2      ARG  11   9.871  -5.873  -0.275
   96    HD3  ARG  11           HD1      ARG  11  11.208  -6.230   0.838
   97    HE   ARG  11           HE       ARG  11   9.109  -8.086   0.056
   98   HH11  ARG  11          HH11      ARG  11   9.091 -10.095   1.060
   99   HH12  ARG  11          HH12      ARG  11   9.986 -10.334   2.522
  100   HH21  ARG  11          HH21      ARG  11  11.185  -7.089   2.659
  101   HH22  ARG  11          HH22      ARG  11  11.163  -8.643   3.419
  102    H    ILE  12           HN       ILE  12   9.169  -3.706   4.311
  103    HA   ILE  12           HA       ILE  12   7.830  -6.013   5.674
  104    HB   ILE  12           HB       ILE  12  10.353  -4.771   6.672
  105   HG12  ILE  12          HG12      ILE  12  10.105  -6.219   4.033
  106   HG13  ILE  12          HG11      ILE  12  10.852  -4.651   4.337
  107   HG21  ILE  12          HG21      ILE  12   9.152  -6.886   7.531
  108   HG22  ILE  12          HG22      ILE  12  10.887  -7.010   7.238
  109   HG23  ILE  12          HG23      ILE  12   9.745  -7.664   6.064
  110   HD11  ILE  12          HD11      ILE  12  11.861  -7.390   5.107
  111   HD12  ILE  12          HD12      ILE  12  12.449  -5.935   5.912
  112   HD13  ILE  12          HD13      ILE  12  12.686  -6.139   4.176
  113    H    LEU  13           HN       LEU  13   8.652  -2.612   5.937
  114    HA   LEU  13           HA       LEU  13   7.882  -2.340   8.729
  115    HB2  LEU  13           HB2      LEU  13   8.763  -0.661   6.410
  116    HB3  LEU  13           HB1      LEU  13   8.128   0.124   7.840
  117    HG   LEU  13           HG       LEU  13   9.811  -1.570   9.037
  118   HD11  LEU  13          HD11      LEU  13  11.094  -1.024   6.344
  119   HD12  LEU  13          HD12      LEU  13  10.483  -2.593   6.870
  120   HD13  LEU  13          HD13      LEU  13  11.849  -1.854   7.706
  121   HD21  LEU  13          HD21      LEU  13  10.074   0.717   9.497
  122   HD22  LEU  13          HD22      LEU  13  10.309   1.125   7.797
  123   HD23  LEU  13          HD23      LEU  13  11.592   0.314   8.694
  Start of MODEL   11
    1    H1   PHE   1           HT1      PHE   1  12.894  12.155   0.672
    2    H2   PHE   1           HT2      PHE   1  12.535  10.874   1.728
    3    H3   PHE   1           HT3      PHE   1  11.387  12.095   1.447
    4    HA   PHE   1           HA       PHE   1  10.591  10.396   0.105
    5    HB2  PHE   1           HB2      PHE   1  12.041  12.639  -1.013
    6    HB3  PHE   1           HB1      PHE   1  12.059  11.285  -2.144
    7    HD1  PHE   1           HD1      PHE   1   9.771  10.060  -2.516
    8    HD2  PHE   1           HD2      PHE   1  10.152  14.020  -0.894
    9    HE1  PHE   1           HE1      PHE   1   7.415  10.536  -3.123
   10    HE2  PHE   1           HE2      PHE   1   7.795  14.495  -1.502
   11    HZ   PHE   1           HZ       PHE   1   6.427  12.754  -2.618
   12    H    VAL   2           HN       VAL   2  11.048   8.241  -0.126
   13    HA   VAL   2           HA       VAL   2  13.691   7.448  -1.261
   14    HB   VAL   2           HB       VAL   2  13.171   5.569   0.720
   15   HG11  VAL   2          HG11      VAL   2  15.077   7.688   0.143
   16   HG12  VAL   2          HG12      VAL   2  15.355   6.111   0.883
   17   HG13  VAL   2          HG13      VAL   2  14.863   7.480   1.881
   18   HG21  VAL   2          HG21      VAL   2  12.637   6.798   2.731
   19   HG22  VAL   2          HG22      VAL   2  11.381   7.151   1.544
   20   HG23  VAL   2          HG23      VAL   2  12.654   8.330   1.858
   21    H    GLN   3           HN       GLN   3  13.014   6.385  -3.098
   22    HA   GLN   3           HA       GLN   3  10.570   4.685  -2.980
   23    HB2  GLN   3           HB2      GLN   3  10.607   4.893  -5.360
   24    HB3  GLN   3           HB1      GLN   3  11.078   6.479  -4.748
   25    HG2  GLN   3           HG2      GLN   3  13.497   5.699  -4.956
   26    HG3  GLN   3           HG1      GLN   3  12.880   4.311  -5.854
   27   HE21  GLN   3          HE21      GLN   3  11.262   5.041  -7.722
   28   HE22  GLN   3          HE22      GLN   3  11.763   6.382  -8.633
   29    H    TRP   4           HN       TRP   4  14.061   4.525  -3.505
   30    HA   TRP   4           HA       TRP   4  14.036   1.681  -4.233
   31    HB2  TRP   4           HB2      TRP   4  15.795   3.940  -4.287
   32    HB3  TRP   4           HB1      TRP   4  16.598   2.645  -3.400
   33    HD1  TRP   4           HD1      TRP   4  16.012   3.814  -6.811
   34    HE1  TRP   4           HE1      TRP   4  16.550   1.970  -8.531
   35    HE3  TRP   4           HE3      TRP   4  16.299  -0.231  -3.706
   36    HZ2  TRP   4           HZ2      TRP   4  17.036  -0.848  -8.582
   37    HZ3  TRP   4           HZ3      TRP   4  16.802  -2.481  -4.617
   38    HH2  TRP   4           HH2      TRP   4  17.170  -2.794  -7.049
   39    H    PHE   5           HN       PHE   5  14.546   3.640  -1.343
   40    HA   PHE   5           HA       PHE   5  15.556   1.427   0.279
   41    HB2  PHE   5           HB2      PHE   5  15.727   4.115   0.380
   42    HB3  PHE   5           HB1      PHE   5  14.357   3.885   1.466
   43    HD1  PHE   5           HD1      PHE   5  15.020   3.915   3.700
   44    HD2  PHE   5           HD2      PHE   5  17.519   1.971   0.797
   45    HE1  PHE   5           HE1      PHE   5  16.573   3.217   5.504
   46    HE2  PHE   5           HE2      PHE   5  19.071   1.273   2.599
   47    HZ   PHE   5           HZ       PHE   5  18.597   1.895   4.953
   48    H    SER   6           HN       SER   6  12.428   2.705  -0.586
   49    HA   SER   6           HA       SER   6  11.045   1.421   1.686
   50    HB2  SER   6           HB2      SER   6  10.590   3.618   0.152
   51    HB3  SER   6           HB1      SER   6   9.574   2.444  -0.684
   52    HG   SER   6           HG       SER   6   8.245   3.040   0.858
   53    H    LYS   7           HN       LYS   7  11.905   0.699  -1.615
   54    HA   LYS   7           HA       LYS   7   9.907  -1.285  -2.196
   55    HB2  LYS   7           HB2      LYS   7  12.680  -0.595  -3.150
   56    HB3  LYS   7           HB1      LYS   7  11.847  -2.011  -3.792
   57    HG2  LYS   7           HG2      LYS   7  10.108   0.331  -3.723
   58    HG3  LYS   7           HG1      LYS   7  11.553   0.614  -4.694
   59    HD2  LYS   7           HD2      LYS   7  11.107  -1.348  -6.040
   60    HD3  LYS   7           HD1      LYS   7   9.783  -1.829  -4.981
   61    HE2  LYS   7           HE2      LYS   7   8.680   0.411  -5.576
   62    HE3  LYS   7           HE1      LYS   7   9.891   0.543  -6.863
   63    HZ1  LYS   7           HZ1      LYS   7   9.069  -2.031  -7.043
   64    HZ2  LYS   7           HZ2      LYS   7   8.505  -0.765  -8.025
   65    HZ3  LYS   7           HZ3      LYS   7   7.626  -1.233  -6.647
   66    H    PHE   8           HN       PHE   8  12.737  -1.327  -0.174
   67    HA   PHE   8           HA       PHE   8  12.598  -4.317   0.004
   68    HB2  PHE   8           HB2      PHE   8  14.699  -2.476  -0.410
   69    HB3  PHE   8           HB1      PHE   8  14.899  -3.062   1.239
   70    HD1  PHE   8           HD1      PHE   8  14.679  -5.651   1.582
   71    HD2  PHE   8           HD2      PHE   8  15.468  -3.775  -2.200
   72    HE1  PHE   8           HE1      PHE   8  15.586  -7.789   0.711
   73    HE2  PHE   8           HE2      PHE   8  16.374  -5.914  -3.071
   74    HZ   PHE   8           HZ       PHE   8  16.434  -7.920  -1.615
   75    H    LEU   9           HN       LEU   9  12.688  -1.287   1.833
   76    HA   LEU   9           HA       LEU   9  12.404  -2.695   4.416
   77    HB2  LEU   9           HB2      LEU   9  12.345   0.259   3.732
   78    HB3  LEU   9           HB1      LEU   9  12.680  -0.457   5.307
   79    HG   LEU   9           HG       LEU   9  14.376  -0.726   2.811
   80   HD11  LEU   9          HD11      LEU   9  14.438   1.440   4.176
   81   HD12  LEU   9          HD12      LEU   9  15.981   0.611   3.968
   82   HD13  LEU   9          HD13      LEU   9  15.103   0.472   5.492
   83   HD21  LEU   9          HD21      LEU   9  15.824  -1.709   4.946
   84   HD22  LEU   9          HD22      LEU   9  14.986  -2.699   3.750
   85   HD23  LEU   9          HD23      LEU   9  14.199  -2.308   5.280
   86    H    GLY  10           HN       GLY  10  10.541  -0.384   2.416
   87    HA2  GLY  10           HA2      GLY  10   8.255  -0.130   4.017
   88    HA3  GLY  10           HA1      GLY  10   8.215  -0.074   2.255
   89    H    ARG  11           HN       ARG  11   9.345  -2.875   2.163
   90    HA   ARG  11           HA       ARG  11   6.818  -4.284   2.087
   91    HB2  ARG  11           HB2      ARG  11   8.068  -5.862   0.980
   92    HB3  ARG  11           HB1      ARG  11   9.147  -4.478   0.811
   93    HG2  ARG  11           HG2      ARG  11  10.331  -5.207   2.884
   94    HG3  ARG  11           HG1      ARG  11   9.315  -6.651   2.914
   95    HD2  ARG  11           HD2      ARG  11  10.422  -6.262   0.272
   96    HD3  ARG  11           HD1      ARG  11  11.721  -6.327   1.480
   97    HE   ARG  11           HE       ARG  11   9.905  -8.516   0.790
   98   HH11  ARG  11          HH11      ARG  11  10.202 -10.445   1.900
   99   HH12  ARG  11          HH12      ARG  11  11.163 -10.469   3.342
  100   HH21  ARG  11          HH21      ARG  11  11.890  -7.085   3.258
  101   HH22  ARG  11          HH22      ARG  11  12.111  -8.578   4.103
  102    H    ILE  12           HN       ILE  12   9.245  -3.807   4.530
  103    HA   ILE  12           HA       ILE  12   8.115  -6.044   6.172
  104    HB   ILE  12           HB       ILE  12  10.495  -4.470   7.032
  105   HG12  ILE  12          HG12      ILE  12  10.456  -6.239   4.580
  106   HG13  ILE  12          HG11      ILE  12  11.010  -4.570   4.688
  107   HG21  ILE  12          HG21      ILE  12   9.642  -6.468   8.241
  108   HG22  ILE  12          HG22      ILE  12  11.289  -6.701   7.654
  109   HG23  ILE  12          HG23      ILE  12   9.936  -7.441   6.799
  110   HD11  ILE  12          HD11      ILE  12  12.627  -5.602   6.536
  111   HD12  ILE  12          HD12      ILE  12  13.047  -5.660   4.824
  112   HD13  ILE  12          HD13      ILE  12  12.353  -7.078   5.610
  113    H    LEU  13           HN       LEU  13   8.651  -2.569   6.024
  114    HA   LEU  13           HA       LEU  13   7.840  -2.005   8.747
  115    HB2  LEU  13           HB2      LEU  13   8.463  -0.564   6.192
  116    HB3  LEU  13           HB1      LEU  13   7.768   0.323   7.534
  117    HG   LEU  13           HG       LEU  13   9.667  -0.956   8.885
  118   HD11  LEU  13          HD11      LEU  13  11.686  -1.249   7.541
  119   HD12  LEU  13          HD12      LEU  13  10.834  -0.695   6.100
  120   HD13  LEU  13          HD13      LEU  13  10.385  -2.224   6.855
  121   HD21  LEU  13          HD21      LEU  13  10.453   1.149   9.107
  122   HD22  LEU  13          HD22      LEU  13   9.315   1.626   7.848
  123   HD23  LEU  13          HD23      LEU  13  10.970   1.188   7.421
  Start of MODEL   12
    1    H1   PHE   1           HT1      PHE   1   9.943  11.255   0.437
    2    H2   PHE   1           HT2      PHE   1  10.172   9.681  -0.159
    3    H3   PHE   1           HT3      PHE   1  10.817  11.012  -0.995
    4    HA   PHE   1           HA       PHE   1  12.390  11.446   0.745
    5    HB2  PHE   1           HB2      PHE   1  10.371  10.410   2.274
    6    HB3  PHE   1           HB1      PHE   1  11.530   9.081   2.305
    7    HD1  PHE   1           HD1      PHE   1  12.979   9.118   4.120
    8    HD2  PHE   1           HD2      PHE   1  11.693  12.836   2.398
    9    HE1  PHE   1           HE1      PHE   1  14.356  10.358   5.769
   10    HE2  PHE   1           HE2      PHE   1  13.070  14.077   4.047
   11    HZ   PHE   1           HZ       PHE   1  14.401  12.837   5.732
   12    H    VAL   2           HN       VAL   2  11.420   7.995   0.601
   13    HA   VAL   2           HA       VAL   2  13.913   7.437  -0.959
   14    HB   VAL   2           HB       VAL   2  13.406   5.296   0.845
   15   HG11  VAL   2          HG11      VAL   2  15.625   5.760   1.586
   16   HG12  VAL   2          HG12      VAL   2  15.492   7.465   1.152
   17   HG13  VAL   2          HG13      VAL   2  15.586   6.237  -0.112
   18   HG21  VAL   2          HG21      VAL   2  13.437   8.008   2.205
   19   HG22  VAL   2          HG22      VAL   2  13.491   6.441   3.013
   20   HG23  VAL   2          HG23      VAL   2  12.043   6.929   2.132
   21    H    GLN   3           HN       GLN   3  13.211   6.482  -2.837
   22    HA   GLN   3           HA       GLN   3  10.728   4.817  -2.749
   23    HB2  GLN   3           HB2      GLN   3  10.617   5.309  -5.131
   24    HB3  GLN   3           HB1      GLN   3  10.902   6.815  -4.260
   25    HG2  GLN   3           HG2      GLN   3  13.465   5.948  -4.691
   26    HG3  GLN   3           HG1      GLN   3  12.654   5.369  -6.145
   27   HE21  GLN   3          HE21      GLN   3  11.579   7.012  -7.522
   28   HE22  GLN   3          HE22      GLN   3  12.023   8.647  -7.412
   29    H    TRP   4           HN       TRP   4  14.168   4.730  -3.371
   30    HA   TRP   4           HA       TRP   4  14.100   2.093  -4.678
   31    HB2  TRP   4           HB2      TRP   4  15.966   4.278  -4.120
   32    HB3  TRP   4           HB1      TRP   4  16.700   2.696  -3.864
   33    HD1  TRP   4           HD1      TRP   4  16.626   0.966  -5.959
   34    HE1  TRP   4           HE1      TRP   4  16.624   1.427  -8.496
   35    HE3  TRP   4           HE3      TRP   4  15.234   5.881  -5.962
   36    HZ2  TRP   4           HZ2      TRP   4  16.102   3.594 -10.289
   37    HZ3  TRP   4           HZ3      TRP   4  14.993   7.116  -8.096
   38    HH2  TRP   4           HH2      TRP   4  15.425   5.981 -10.257
   39    H    PHE   5           HN       PHE   5  14.661   3.456  -1.476
   40    HA   PHE   5           HA       PHE   5  15.579   0.902  -0.338
   41    HB2  PHE   5           HB2      PHE   5  16.328   3.244   0.318
   42    HB3  PHE   5           HB1      PHE   5  14.731   3.472   1.031
   43    HD1  PHE   5           HD1      PHE   5  14.729   3.224   3.343
   44    HD2  PHE   5           HD2      PHE   5  17.252   0.681   0.971
   45    HE1  PHE   5           HE1      PHE   5  15.480   2.054   5.396
   46    HE2  PHE   5           HE2      PHE   5  18.003  -0.488   3.025
   47    HZ   PHE   5           HZ       PHE   5  17.118   0.198   5.236
   48    H    SER   6           HN       SER   6  12.613   2.832  -0.492
   49    HA   SER   6           HA       SER   6  11.090   1.492   1.512
   50    HB2  SER   6           HB2      SER   6  10.236   3.502   0.623
   51    HB3  SER   6           HB1      SER   6  10.503   2.983  -1.041
   52    HG   SER   6           HG       SER   6   8.286   2.826   0.264
   53    H    LYS   7           HN       LYS   7  11.855   0.638  -1.822
   54    HA   LYS   7           HA       LYS   7   9.929  -1.392  -2.295
   55    HB2  LYS   7           HB2      LYS   7  12.775  -0.880  -3.155
   56    HB3  LYS   7           HB1      LYS   7  11.865  -2.253  -3.784
   57    HG2  LYS   7           HG2      LYS   7  10.071  -0.164  -4.047
   58    HG3  LYS   7           HG1      LYS   7  11.615   0.603  -4.417
   59    HD2  LYS   7           HD2      LYS   7  11.866  -0.564  -6.355
   60    HD3  LYS   7           HD1      LYS   7  11.250  -2.056  -5.645
   61    HE2  LYS   7           HE2      LYS   7   9.287   0.161  -6.061
   62    HE3  LYS   7           HE1      LYS   7   9.844  -0.721  -7.495
   63    HZ1  LYS   7           HZ1      LYS   7   7.910  -1.762  -6.315
   64    HZ2  LYS   7           HZ2      LYS   7   8.937  -2.047  -4.993
   65    HZ3  LYS   7           HZ3      LYS   7   9.254  -2.781  -6.492
   66    H    PHE   8           HN       PHE   8  12.651  -1.337  -0.143
   67    HA   PHE   8           HA       PHE   8  12.413  -4.297   0.289
   68    HB2  PHE   8           HB2      PHE   8  14.587  -2.501  -0.241
   69    HB3  PHE   8           HB1      PHE   8  14.793  -3.160   1.377
   70    HD1  PHE   8           HD1      PHE   8  15.010  -3.831  -2.162
   71    HD2  PHE   8           HD2      PHE   8  14.677  -5.688   1.696
   72    HE1  PHE   8           HE1      PHE   8  15.782  -5.980  -3.129
   73    HE2  PHE   8           HE2      PHE   8  15.450  -7.836   0.731
   74    HZ   PHE   8           HZ       PHE   8  16.003  -7.983  -1.683
   75    H    LEU   9           HN       LEU   9  12.420  -1.098   1.690
   76    HA   LEU   9           HA       LEU   9  12.433  -2.017   4.473
   77    HB2  LEU   9           HB2      LEU   9  13.507   0.007   4.175
   78    HB3  LEU   9           HB1      LEU   9  12.488   0.473   2.833
   79    HG   LEU   9           HG       LEU   9  10.669   0.976   4.320
   80   HD11  LEU   9          HD11      LEU   9  11.609   0.916   6.897
   81   HD12  LEU   9          HD12      LEU   9  12.350  -0.532   6.214
   82   HD13  LEU   9          HD13      LEU   9  10.598  -0.338   6.180
   83   HD21  LEU   9          HD21      LEU   9  11.519   2.967   5.195
   84   HD22  LEU   9          HD22      LEU   9  12.745   2.552   3.995
   85   HD23  LEU   9          HD23      LEU   9  13.028   2.210   5.702
   86    H    GLY  10           HN       GLY  10  10.228  -0.229   2.319
   87    HA2  GLY  10           HA2      GLY  10   7.981  -0.161   4.041
   88    HA3  GLY  10           HA1      GLY  10   7.873  -0.121   2.281
   89    H    ARG  11           HN       ARG  11   9.309  -2.770   2.151
   90    HA   ARG  11           HA       ARG  11   6.984  -4.485   2.128
   91    HB2  ARG  11           HB2      ARG  11   9.927  -5.213   2.102
   92    HB3  ARG  11           HB1      ARG  11   8.599  -6.145   1.412
   93    HG2  ARG  11           HG2      ARG  11   9.787  -3.553   0.439
   94    HG3  ARG  11           HG1      ARG  11   9.512  -5.045  -0.459
   95    HD2  ARG  11           HD2      ARG  11   7.412  -3.077   0.506
   96    HD3  ARG  11           HD1      ARG  11   7.803  -3.500  -1.171
   97    HE   ARG  11           HE       ARG  11   7.221  -5.945  -0.044
   98   HH11  ARG  11          HH11      ARG  11   5.168  -6.849   0.097
   99   HH12  ARG  11          HH12      ARG  11   3.774  -5.820   0.100
  100   HH21  ARG  11          HH21      ARG  11   5.588  -2.879  -0.139
  101   HH22  ARG  11          HH22      ARG  11   4.014  -3.587  -0.031
  102    H    ILE  12           HN       ILE  12   9.168  -3.556   4.623
  103    HA   ILE  12           HA       ILE  12   8.350  -5.913   6.285
  104    HB   ILE  12           HB       ILE  12  10.574  -4.205   7.192
  105   HG12  ILE  12          HG12      ILE  12  10.754  -5.690   4.555
  106   HG13  ILE  12          HG11      ILE  12  10.999  -3.963   4.812
  107   HG21  ILE  12          HG21      ILE  12  10.711  -7.127   6.508
  108   HG22  ILE  12          HG22      ILE  12   9.764  -6.599   7.900
  109   HG23  ILE  12          HG23      ILE  12  11.492  -6.257   7.828
  110   HD11  ILE  12          HD11      ILE  12  12.939  -4.435   6.248
  111   HD12  ILE  12          HD12      ILE  12  13.158  -5.150   4.650
  112   HD13  ILE  12          HD13      ILE  12  12.697  -6.167   6.015
  113    H    LEU  13           HN       LEU  13   8.469  -2.416   6.038
  114    HA   LEU  13           HA       LEU  13   7.618  -1.974   8.805
  115    HB2  LEU  13           HB2      LEU  13   8.464  -0.471   6.381
  116    HB3  LEU  13           HB1      LEU  13   7.505   0.392   7.571
  117    HG   LEU  13           HG       LEU  13  10.001   0.510   7.953
  118   HD11  LEU  13          HD11      LEU  13   8.114   0.621   9.753
  119   HD12  LEU  13          HD12      LEU  13   9.782   0.419  10.287
  120   HD13  LEU  13          HD13      LEU  13   8.703  -0.973  10.222
  121   HD21  LEU  13          HD21      LEU  13  10.241  -1.959   7.221
  122   HD22  LEU  13          HD22      LEU  13   9.743  -2.350   8.868
  123   HD23  LEU  13          HD23      LEU  13  11.213  -1.417   8.590
  Start of MODEL   13
    1    H1   PHE   1           HT1      PHE   1  12.579  11.877   0.955
    2    H2   PHE   1           HT2      PHE   1  11.669  12.852  -0.097
    3    H3   PHE   1           HT3      PHE   1  13.104  12.123  -0.638
    4    HA   PHE   1           HA       PHE   1  10.697  10.602   0.226
    5    HB2  PHE   1           HB2      PHE   1  11.024  12.257  -1.981
    6    HB3  PHE   1           HB1      PHE   1  11.446  10.665  -2.609
    7    HD1  PHE   1           HD1      PHE   1   9.821   8.785  -2.462
    8    HD2  PHE   1           HD2      PHE   1   8.774  12.786  -1.303
    9    HE1  PHE   1           HE1      PHE   1   7.417   8.179  -2.539
   10    HE2  PHE   1           HE2      PHE   1   6.370  12.180  -1.380
   11    HZ   PHE   1           HZ       PHE   1   5.692   9.876  -1.999
   12    H    VAL   2           HN       VAL   2  10.906   8.324  -0.465
   13    HA   VAL   2           HA       VAL   2  13.647   7.428  -1.205
   14    HB   VAL   2           HB       VAL   2  12.819   5.723   0.865
   15   HG11  VAL   2          HG11      VAL   2  14.752   6.619   2.021
   16   HG12  VAL   2          HG12      VAL   2  14.689   8.102   1.069
   17   HG13  VAL   2          HG13      VAL   2  15.120   6.576   0.297
   18   HG21  VAL   2          HG21      VAL   2  12.301   7.221   2.717
   19   HG22  VAL   2          HG22      VAL   2  11.119   7.472   1.432
   20   HG23  VAL   2          HG23      VAL   2  12.433   8.626   1.659
   21    H    GLN   3           HN       GLN   3  13.146   6.233  -3.014
   22    HA   GLN   3           HA       GLN   3  10.705   4.508  -2.968
   23    HB2  GLN   3           HB2      GLN   3  10.749   4.727  -5.314
   24    HB3  GLN   3           HB1      GLN   3  11.350   6.293  -4.772
   25    HG2  GLN   3           HG2      GLN   3  13.693   5.370  -4.983
   26    HG3  GLN   3           HG1      GLN   3  12.993   3.936  -5.735
   27   HE21  GLN   3          HE21      GLN   3  14.697   6.346  -6.804
   28   HE22  GLN   3          HE22      GLN   3  13.854   6.818  -8.200
   29    H    TRP   4           HN       TRP   4  14.218   4.445  -3.354
   30    HA   TRP   4           HA       TRP   4  14.329   1.587  -3.997
   31    HB2  TRP   4           HB2      TRP   4  16.035   3.924  -3.897
   32    HB3  TRP   4           HB1      TRP   4  16.817   2.574  -3.075
   33    HD1  TRP   4           HD1      TRP   4  16.664   0.161  -4.567
   34    HE1  TRP   4           HE1      TRP   4  17.139  -0.132  -7.083
   35    HE3  TRP   4           HE3      TRP   4  16.080   4.982  -6.138
   36    HZ2  TRP   4           HZ2      TRP   4  17.256   1.470  -9.450
   37    HZ3  TRP   4           HZ3      TRP   4  16.378   5.572  -8.526
   38    HH2  TRP   4           HH2      TRP   4  16.965   3.823 -10.183
   39    H    PHE   5           HN       PHE   5  14.563   3.617  -1.134
   40    HA   PHE   5           HA       PHE   5  15.543   1.461   0.603
   41    HB2  PHE   5           HB2      PHE   5  15.693   4.165   0.587
   42    HB3  PHE   5           HB1      PHE   5  14.311   3.959   1.659
   43    HD1  PHE   5           HD1      PHE   5  14.623   3.328   3.915
   44    HD2  PHE   5           HD2      PHE   5  17.829   2.830   1.100
   45    HE1  PHE   5           HE1      PHE   5  16.161   2.740   5.770
   46    HE2  PHE   5           HE2      PHE   5  19.366   2.239   2.954
   47    HZ   PHE   5           HZ       PHE   5  18.532   2.195   5.289
   48    H    SER   6           HN       SER   6  12.453   2.784  -0.381
   49    HA   SER   6           HA       SER   6  10.995   1.490   1.845
   50    HB2  SER   6           HB2      SER   6  10.516   3.450  -0.324
   51    HB3  SER   6           HB1      SER   6   9.131   2.439   0.086
   52    HG   SER   6           HG       SER   6   9.090   4.193   1.432
   53    H    LYS   7           HN       LYS   7  11.784   0.937  -1.522
   54    HA   LYS   7           HA       LYS   7   9.776  -0.994  -2.180
   55    HB2  LYS   7           HB2      LYS   7  12.490  -0.169  -3.115
   56    HB3  LYS   7           HB1      LYS   7  11.844  -1.689  -3.730
   57    HG2  LYS   7           HG2      LYS   7   9.955   0.598  -3.736
   58    HG3  LYS   7           HG1      LYS   7  11.311   0.730  -4.856
   59    HD2  LYS   7           HD2      LYS   7  10.758  -1.535  -5.740
   60    HD3  LYS   7           HD1      LYS   7   9.354  -1.582  -4.672
   61    HE2  LYS   7           HE2      LYS   7   8.142  -0.253  -6.067
   62    HE3  LYS   7           HE1      LYS   7   9.491   0.881  -6.275
   63    HZ1  LYS   7           HZ1      LYS   7   9.559  -1.828  -7.463
   64    HZ2  LYS   7           HZ2      LYS   7  10.463  -0.456  -7.900
   65    HZ3  LYS   7           HZ3      LYS   7   8.809  -0.546  -8.281
   66    H    PHE   8           HN       PHE   8  12.462  -1.185  -0.032
   67    HA   PHE   8           HA       PHE   8  12.346  -4.183  -0.074
   68    HB2  PHE   8           HB2      PHE   8  14.462  -2.375  -0.398
   69    HB3  PHE   8           HB1      PHE   8  14.620  -2.938   1.264
   70    HD1  PHE   8           HD1      PHE   8  14.313  -5.548   1.606
   71    HD2  PHE   8           HD2      PHE   8  15.369  -3.676  -2.114
   72    HE1  PHE   8           HE1      PHE   8  15.259  -7.693   0.794
   73    HE2  PHE   8           HE2      PHE   8  16.315  -5.820  -2.924
   74    HZ   PHE   8           HZ       PHE   8  16.260  -7.828  -1.471
   75    H    LEU   9           HN       LEU   9  12.758  -1.326   2.020
   76    HA   LEU   9           HA       LEU   9  12.269  -2.867   4.468
   77    HB2  LEU   9           HB2      LEU   9  12.373   0.125   3.972
   78    HB3  LEU   9           HB1      LEU   9  12.625  -0.699   5.509
   79    HG   LEU   9           HG       LEU   9  14.363  -0.970   3.041
   80   HD11  LEU   9          HD11      LEU   9  15.707   0.620   3.932
   81   HD12  LEU   9          HD12      LEU   9  15.560  -0.053   5.555
   82   HD13  LEU   9          HD13      LEU   9  14.326   1.046   4.941
   83   HD21  LEU   9          HD21      LEU   9  14.749  -3.012   3.995
   84   HD22  LEU   9          HD22      LEU   9  14.126  -2.508   5.566
   85   HD23  LEU   9          HD23      LEU   9  15.768  -2.076   5.088
   86    H    GLY  10           HN       GLY  10  10.528  -0.404   2.548
   87    HA2  GLY  10           HA2      GLY  10   8.220  -0.201   4.183
   88    HA3  GLY  10           HA1      GLY  10   8.228   0.074   2.440
   89    H    ARG  11           HN       ARG  11   9.319  -2.790   2.161
   90    HA   ARG  11           HA       ARG  11   6.731  -4.087   1.813
   91    HB2  ARG  11           HB2      ARG  11   9.540  -5.221   1.642
   92    HB3  ARG  11           HB1      ARG  11   8.098  -5.840   0.838
   93    HG2  ARG  11           HG2      ARG  11   9.463  -3.182   0.307
   94    HG3  ARG  11           HG1      ARG  11   9.413  -4.573  -0.770
   95    HD2  ARG  11           HD2      ARG  11   7.635  -3.396  -1.661
   96    HD3  ARG  11           HD1      ARG  11   6.752  -4.223  -0.363
   97    HE   ARG  11           HE       ARG  11   8.043  -1.747   0.507
   98   HH11  ARG  11          HH11      ARG  11   6.675  -0.071   1.116
   99   HH12  ARG  11          HH12      ARG  11   4.999  -0.129   0.685
  100   HH21  ARG  11          HH21      ARG  11   5.230  -3.168  -0.959
  101   HH22  ARG  11          HH22      ARG  11   4.189  -1.871  -0.484
  102    H    ILE  12           HN       ILE  12   8.985  -3.835   4.395
  103    HA   ILE  12           HA       ILE  12   7.730  -6.187   5.773
  104    HB   ILE  12           HB       ILE  12  10.316  -5.387   6.807
  105   HG12  ILE  12          HG12      ILE  12  10.173  -6.023   3.845
  106   HG13  ILE  12          HG11      ILE  12  10.739  -4.514   4.562
  107   HG21  ILE  12          HG21      ILE  12  10.816  -7.728   6.477
  108   HG22  ILE  12          HG22      ILE  12   9.502  -7.894   5.312
  109   HG23  ILE  12          HG23      ILE  12   9.140  -7.610   7.015
  110   HD11  ILE  12          HD11      ILE  12  12.434  -5.979   5.846
  111   HD12  ILE  12          HD12      ILE  12  12.726  -5.711   4.128
  112   HD13  ILE  12          HD13      ILE  12  12.030  -7.237   4.677
  113    H    LEU  13           HN       LEU  13   9.008  -2.903   6.059
  114    HA   LEU  13           HA       LEU  13   8.561  -2.555   8.864
  115    HB2  LEU  13           HB2      LEU  13   9.225  -1.013   6.422
  116    HB3  LEU  13           HB1      LEU  13   8.568  -0.088   7.760
  117    HG   LEU  13           HG       LEU  13  11.070  -0.289   7.819
  118   HD11  LEU  13          HD11      LEU  13  10.973  -0.187  10.079
  119   HD12  LEU  13          HD12      LEU  13  10.338  -1.827  10.201
  120   HD13  LEU  13          HD13      LEU  13   9.244  -0.479   9.889
  121   HD21  LEU  13          HD21      LEU  13  10.766  -3.126   8.697
  122   HD22  LEU  13          HD22      LEU  13  12.147  -2.328   7.944
  123   HD23  LEU  13          HD23      LEU  13  10.755  -2.793   6.965
  Start of MODEL   14
    1    H1   PHE   1           HT1      PHE   1  10.886   9.625   1.580
    2    H2   PHE   1           HT2      PHE   1   9.936   9.652   0.172
    3    H3   PHE   1           HT3      PHE   1  10.025  11.026   1.166
    4    HA   PHE   1           HA       PHE   1  11.397  11.258  -0.857
    5    HB2  PHE   1           HB2      PHE   1  12.163  11.436   1.977
    6    HB3  PHE   1           HB1      PHE   1  13.543  11.441   0.877
    7    HD1  PHE   1           HD1      PHE   1  13.659  13.136  -0.972
    8    HD2  PHE   1           HD2      PHE   1  10.667  13.297   2.105
    9    HE1  PHE   1           HE1      PHE   1  13.181  15.497  -1.561
   10    HE2  PHE   1           HE2      PHE   1  10.190  15.657   1.518
   11    HZ   PHE   1           HZ       PHE   1  11.446  16.758  -0.316
   12    H    VAL   2           HN       VAL   2  11.216   8.189   0.019
   13    HA   VAL   2           HA       VAL   2  13.716   7.451  -1.421
   14    HB   VAL   2           HB       VAL   2  13.460   5.596   0.671
   15   HG11  VAL   2          HG11      VAL   2  15.649   6.159   0.994
   16   HG12  VAL   2          HG12      VAL   2  15.290   7.882   1.106
   17   HG13  VAL   2          HG13      VAL   2  15.422   7.110  -0.474
   18   HG21  VAL   2          HG21      VAL   2  13.219   8.419   1.751
   19   HG22  VAL   2          HG22      VAL   2  13.316   6.928   2.688
   20   HG23  VAL   2          HG23      VAL   2  11.885   7.266   1.714
   21    H    GLN   3           HN       GLN   3  12.930   6.239  -3.099
   22    HA   GLN   3           HA       GLN   3  10.497   4.569  -2.668
   23    HB2  GLN   3           HB2      GLN   3  10.329   4.651  -5.071
   24    HB3  GLN   3           HB1      GLN   3  10.756   6.277  -4.535
   25    HG2  GLN   3           HG2      GLN   3  13.176   5.687  -4.952
   26    HG3  GLN   3           HG1      GLN   3  12.621   4.180  -5.680
   27   HE21  GLN   3          HE21      GLN   3  10.579   4.778  -7.302
   28   HE22  GLN   3          HE22      GLN   3  10.964   5.999  -8.417
   29    H    TRP   4           HN       TRP   4  13.888   4.354  -3.723
   30    HA   TRP   4           HA       TRP   4  13.785   1.500  -4.290
   31    HB2  TRP   4           HB2      TRP   4  15.474   3.666  -4.752
   32    HB3  TRP   4           HB1      TRP   4  16.387   2.668  -3.620
   33    HD1  TRP   4           HD1      TRP   4  17.671   0.729  -4.639
   34    HE1  TRP   4           HE1      TRP   4  17.599  -0.561  -6.871
   35    HE3  TRP   4           HE3      TRP   4  13.583   2.908  -6.785
   36    HZ2  TRP   4           HZ2      TRP   4  16.013  -0.655  -9.253
   37    HZ3  TRP   4           HZ3      TRP   4  12.813   2.203  -9.031
   38    HH2  TRP   4           HH2      TRP   4  14.022   0.426 -10.268
   39    H    PHE   5           HN       PHE   5  14.968   3.490  -1.570
   40    HA   PHE   5           HA       PHE   5  15.907   1.275   0.022
   41    HB2  PHE   5           HB2      PHE   5  16.337   3.862   0.089
   42    HB3  PHE   5           HB1      PHE   5  14.899   3.896   1.109
   43    HD1  PHE   5           HD1      PHE   5  15.218   3.698   3.404
   44    HD2  PHE   5           HD2      PHE   5  18.054   1.886   0.734
   45    HE1  PHE   5           HE1      PHE   5  16.579   2.969   5.344
   46    HE2  PHE   5           HE2      PHE   5  19.415   1.156   2.675
   47    HZ   PHE   5           HZ       PHE   5  18.677   1.698   4.980
   48    H    SER   6           HN       SER   6  12.771   2.792  -0.439
   49    HA   SER   6           HA       SER   6  11.571   1.488   1.916
   50    HB2  SER   6           HB2      SER   6  10.902   3.734   1.145
   51    HB3  SER   6           HB1      SER   6  10.425   3.064  -0.414
   52    HG   SER   6           HG       SER   6   8.686   3.333   1.121
   53    H    LYS   7           HN       LYS   7  12.012   0.843  -1.482
   54    HA   LYS   7           HA       LYS   7   9.845  -0.969  -1.946
   55    HB2  LYS   7           HB2      LYS   7  12.537  -0.347  -3.084
   56    HB3  LYS   7           HB1      LYS   7  11.764  -1.846  -3.599
   57    HG2  LYS   7           HG2      LYS   7  10.083   0.620  -3.575
   58    HG3  LYS   7           HG1      LYS   7  11.300   0.486  -4.844
   59    HD2  LYS   7           HD2      LYS   7   9.320  -1.719  -4.220
   60    HD3  LYS   7           HD1      LYS   7   9.020  -0.474  -5.432
   61    HE2  LYS   7           HE2      LYS   7  11.357  -1.173  -6.384
   62    HE3  LYS   7           HE1      LYS   7  11.100  -2.657  -5.449
   63    HZ1  LYS   7           HZ1      LYS   7   9.243  -1.472  -7.451
   64    HZ2  LYS   7           HZ2      LYS   7   8.877  -2.814  -6.475
   65    HZ3  LYS   7           HZ3      LYS   7  10.122  -2.912  -7.627
   66    H    PHE   8           HN       PHE   8  12.842  -1.303  -0.193
   67    HA   PHE   8           HA       PHE   8  12.479  -4.269  -0.034
   68    HB2  PHE   8           HB2      PHE   8  14.672  -2.513  -0.430
   69    HB3  PHE   8           HB1      PHE   8  14.883  -3.218   1.169
   70    HD1  PHE   8           HD1      PHE   8  15.885  -5.326   1.343
   71    HD2  PHE   8           HD2      PHE   8  13.935  -4.218  -2.320
   72    HE1  PHE   8           HE1      PHE   8  16.629  -7.451   0.304
   73    HE2  PHE   8           HE2      PHE   8  14.679  -6.343  -3.359
   74    HZ   PHE   8           HZ       PHE   8  16.025  -7.960  -2.047
   75    H    LEU   9           HN       LEU   9  12.665  -1.287   1.833
   76    HA   LEU   9           HA       LEU   9  12.408  -2.744   4.403
   77    HB2  LEU   9           HB2      LEU   9  12.543   0.217   3.749
   78    HB3  LEU   9           HB1      LEU   9  12.793  -0.519   5.329
   79    HG   LEU   9           HG       LEU   9  14.511  -0.903   2.866
   80   HD11  LEU   9          HD11      LEU   9  16.247   0.154   4.266
   81   HD12  LEU   9          HD12      LEU   9  15.083   0.331   5.579
   82   HD13  LEU   9          HD13      LEU   9  14.860   1.226   4.075
   83   HD21  LEU   9          HD21      LEU   9  14.922  -2.938   3.794
   84   HD22  LEU   9          HD22      LEU   9  14.167  -2.487   5.325
   85   HD23  LEU   9          HD23      LEU   9  15.840  -2.034   4.999
   86    H    GLY  10           HN       GLY  10  10.678  -0.187   2.586
   87    HA2  GLY  10           HA2      GLY  10   8.413   0.045   4.230
   88    HA3  GLY  10           HA1      GLY  10   8.375   0.288   2.483
   89    H    ARG  11           HN       ARG  11   9.345  -2.546   2.095
   90    HA   ARG  11           HA       ARG  11   6.750  -3.804   1.872
   91    HB2  ARG  11           HB2      ARG  11   7.929  -5.342   0.630
   92    HB3  ARG  11           HB1      ARG  11   9.068  -3.998   0.586
   93    HG2  ARG  11           HG2      ARG  11  10.219  -4.962   2.575
   94    HG3  ARG  11           HG1      ARG  11   9.133  -6.353   2.490
   95    HD2  ARG  11           HD2      ARG  11  10.096  -6.007  -0.126
   96    HD3  ARG  11           HD1      ARG  11  11.515  -5.821   0.925
   97    HE   ARG  11           HE       ARG  11  10.042  -7.996   1.950
   98   HH11  ARG  11          HH11      ARG  11  10.577 -10.116   1.429
   99   HH12  ARG  11          HH12      ARG  11  11.467 -10.448  -0.019
  100   HH21  ARG  11          HH21      ARG  11  11.685  -7.131  -0.988
  101   HH22  ARG  11          HH22      ARG  11  12.089  -8.766  -1.377
  102    H    ILE  12           HN       ILE  12   9.115  -3.659   4.400
  103    HA   ILE  12           HA       ILE  12   7.838  -5.988   5.792
  104    HB   ILE  12           HB       ILE  12  10.334  -4.747   6.820
  105   HG12  ILE  12          HG12      ILE  12  10.218  -6.207   4.174
  106   HG13  ILE  12          HG11      ILE  12  10.802  -4.568   4.446
  107   HG21  ILE  12          HG21      ILE  12  10.353  -7.583   6.184
  108   HG22  ILE  12          HG22      ILE  12   8.915  -7.143   7.104
  109   HG23  ILE  12          HG23      ILE  12  10.518  -6.791   7.750
  110   HD11  ILE  12          HD11      ILE  12  12.442  -5.725   6.137
  111   HD12  ILE  12          HD12      ILE  12  12.798  -5.784   4.411
  112   HD13  ILE  12          HD13      ILE  12  12.077  -7.180   5.211
  113    H    LEU  13           HN       LEU  13   8.590  -2.567   5.952
  114    HA   LEU  13           HA       LEU  13   7.908  -2.219   8.750
  115    HB2  LEU  13           HB2      LEU  13   8.570  -0.591   6.327
  116    HB3  LEU  13           HB1      LEU  13   7.931   0.218   7.742
  117    HG   LEU  13           HG       LEU  13   9.759  -1.238   8.984
  118   HD11  LEU  13          HD11      LEU  13  10.358  -2.419   6.838
  119   HD12  LEU  13          HD12      LEU  13  11.730  -1.646   7.635
  120   HD13  LEU  13          HD13      LEU  13  10.979  -0.882   6.234
  121   HD21  LEU  13          HD21      LEU  13  10.896   0.731   9.222
  122   HD22  LEU  13          HD22      LEU  13   9.533   1.391   8.316
  123   HD23  LEU  13          HD23      LEU  13  11.030   0.975   7.481
  Start of MODEL   15
    1    H1   PHE   1           HT1      PHE   1  11.645   9.593   2.658
    2    H2   PHE   1           HT2      PHE   1  10.330  10.669   2.700
    3    H3   PHE   1           HT3      PHE   1  11.834  11.183   2.099
    4    HA   PHE   1           HA       PHE   1   9.843   9.409   0.829
    5    HB2  PHE   1           HB2      PHE   1  10.838  12.086   0.642
    6    HB3  PHE   1           HB1      PHE   1  11.277  11.239  -0.842
    7    HD1  PHE   1           HD1      PHE   1   8.947  13.392   0.179
    8    HD2  PHE   1           HD2      PHE   1   9.114   9.341  -1.239
    9    HE1  PHE   1           HE1      PHE   1   6.605  13.575  -0.615
   10    HE2  PHE   1           HE2      PHE   1   6.772   9.523  -2.034
   11    HZ   PHE   1           HZ       PHE   1   5.516  11.639  -1.722
   12    H    VAL   2           HN       VAL   2  10.696   7.483   0.125
   13    HA   VAL   2           HA       VAL   2  13.327   7.511  -1.247
   14    HB   VAL   2           HB       VAL   2  13.250   5.178   0.366
   15   HG11  VAL   2          HG11      VAL   2  14.817   7.762   0.629
   16   HG12  VAL   2          HG12      VAL   2  15.271   6.365  -0.346
   17   HG13  VAL   2          HG13      VAL   2  15.240   6.239   1.413
   18   HG21  VAL   2          HG21      VAL   2  13.022   6.073   2.617
   19   HG22  VAL   2          HG22      VAL   2  11.544   6.422   1.720
   20   HG23  VAL   2          HG23      VAL   2  12.739   7.694   1.982
   21    H    GLN   3           HN       GLN   3  13.437   5.968  -2.867
   22    HA   GLN   3           HA       GLN   3  10.924   4.467  -3.427
   23    HB2  GLN   3           HB2      GLN   3  12.884   6.009  -4.907
   24    HB3  GLN   3           HB1      GLN   3  12.695   4.401  -5.612
   25    HG2  GLN   3           HG2      GLN   3  10.306   4.692  -5.769
   26    HG3  GLN   3           HG1      GLN   3  10.393   6.219  -4.889
   27   HE21  GLN   3          HE21      GLN   3   9.282   6.990  -7.020
   28   HE22  GLN   3          HE22      GLN   3  10.305   7.456  -8.291
   29    H    TRP   4           HN       TRP   4  14.416   4.017  -4.021
   30    HA   TRP   4           HA       TRP   4  14.220   1.160  -4.208
   31    HB2  TRP   4           HB2      TRP   4  16.075   3.215  -4.641
   32    HB3  TRP   4           HB1      TRP   4  16.820   2.197  -3.408
   33    HD1  TRP   4           HD1      TRP   4  17.341  -0.334  -4.034
   34    HE1  TRP   4           HE1      TRP   4  17.603  -1.526  -6.305
   35    HE3  TRP   4           HE3      TRP   4  15.242   3.158  -7.111
   36    HZ2  TRP   4           HZ2      TRP   4  17.002  -1.059  -9.061
   37    HZ3  TRP   4           HZ3      TRP   4  15.100   2.760  -9.552
   38    HH2  TRP   4           HH2      TRP   4  15.977   0.658 -10.531
   39    H    PHE   5           HN       PHE   5  14.763   3.393  -1.549
   40    HA   PHE   5           HA       PHE   5  15.636   1.338   0.344
   41    HB2  PHE   5           HB2      PHE   5  15.867   4.038   0.146
   42    HB3  PHE   5           HB1      PHE   5  14.498   3.932   1.254
   43    HD1  PHE   5           HD1      PHE   5  17.833   2.286   0.704
   44    HD2  PHE   5           HD2      PHE   5  14.973   3.800   3.529
   45    HE1  PHE   5           HE1      PHE   5  19.382   1.742   2.563
   46    HE2  PHE   5           HE2      PHE   5  16.522   3.256   5.388
   47    HZ   PHE   5           HZ       PHE   5  18.726   2.228   4.905
   48    H    SER   6           HN       SER   6  12.602   2.618  -0.788
   49    HA   SER   6           HA       SER   6  11.096   1.553   1.539
   50    HB2  SER   6           HB2      SER   6  10.686   3.771   0.300
   51    HB3  SER   6           HB1      SER   6  10.043   2.790  -1.016
   52    HG   SER   6           HG       SER   6   8.910   1.846   1.100
   53    H    LYS   7           HN       LYS   7  11.904   0.753  -1.771
   54    HA   LYS   7           HA       LYS   7   9.835  -1.166  -2.303
   55    HB2  LYS   7           HB2      LYS   7  12.660  -0.694  -3.276
   56    HB3  LYS   7           HB1      LYS   7  11.654  -1.980  -3.943
   57    HG2  LYS   7           HG2      LYS   7  10.239   0.577  -3.778
   58    HG3  LYS   7           HG1      LYS   7  11.678   0.666  -4.794
   59    HD2  LYS   7           HD2      LYS   7  10.737  -0.611  -6.408
   60    HD3  LYS   7           HD1      LYS   7  10.135  -1.784  -5.235
   61    HE2  LYS   7           HE2      LYS   7   8.734   0.814  -5.148
   62    HE3  LYS   7           HE1      LYS   7   8.519  -0.081  -6.663
   63    HZ1  LYS   7           HZ1      LYS   7   8.427  -1.564  -4.132
   64    HZ2  LYS   7           HZ2      LYS   7   7.606  -1.866  -5.589
   65    HZ3  LYS   7           HZ3      LYS   7   7.072  -0.633  -4.548
   66    H    PHE   8           HN       PHE   8  12.644  -1.277  -0.264
   67    HA   PHE   8           HA       PHE   8  12.385  -4.255  -0.033
   68    HB2  PHE   8           HB2      PHE   8  14.562  -2.512  -0.532
   69    HB3  PHE   8           HB1      PHE   8  14.779  -3.111   1.110
   70    HD1  PHE   8           HD1      PHE   8  15.618  -5.279   1.485
   71    HD2  PHE   8           HD2      PHE   8  14.022  -4.256  -2.370
   72    HE1  PHE   8           HE1      PHE   8  16.383  -7.461   0.588
   73    HE2  PHE   8           HE2      PHE   8  14.787  -6.438  -3.267
   74    HZ   PHE   8           HZ       PHE   8  15.967  -8.041  -1.787
   75    H    LEU   9           HN       LEU   9  12.818  -1.213   1.755
   76    HA   LEU   9           HA       LEU   9  12.481  -2.542   4.366
   77    HB2  LEU   9           HB2      LEU   9  12.585   0.400   3.628
   78    HB3  LEU   9           HB1      LEU   9  12.949  -0.317   5.197
   79    HG   LEU   9           HG       LEU   9  14.497  -0.809   2.637
   80   HD11  LEU   9          HD11      LEU   9  14.603   1.432   4.163
   81   HD12  LEU   9          HD12      LEU   9  16.006   0.769   3.324
   82   HD13  LEU   9          HD13      LEU   9  15.750   0.415   5.033
   83   HD21  LEU   9          HD21      LEU   9  14.691  -2.782   3.920
   84   HD22  LEU   9          HD22      LEU   9  14.690  -1.896   5.445
   85   HD23  LEU   9          HD23      LEU   9  16.105  -1.841   4.394
   86    H    GLY  10           HN       GLY  10  10.671  -0.266   2.289
   87    HA2  GLY  10           HA2      GLY  10   8.453   0.150   4.007
   88    HA3  GLY  10           HA1      GLY  10   8.380   0.250   2.247
   89    H    ARG  11           HN       ARG  11   9.327  -2.565   1.982
   90    HA   ARG  11           HA       ARG  11   6.771  -3.886   1.910
   91    HB2  ARG  11           HB2      ARG  11   9.567  -5.064   1.882
   92    HB3  ARG  11           HB1      ARG  11   8.115  -5.780   1.182
   93    HG2  ARG  11           HG2      ARG  11   9.660  -3.365   0.251
   94    HG3  ARG  11           HG1      ARG  11   9.181  -4.789  -0.672
   95    HD2  ARG  11           HD2      ARG  11   7.345  -2.597   0.361
   96    HD3  ARG  11           HD1      ARG  11   7.704  -2.981  -1.333
   97    HE   ARG  11           HE       ARG  11   6.812  -5.383  -0.211
   98   HH11  ARG  11          HH11      ARG  11   4.666  -6.038  -0.311
   99   HH12  ARG  11          HH12      ARG  11   3.415  -4.859  -0.514
  100   HH21  ARG  11          HH21      ARG  11   5.577  -2.157  -0.602
  101   HH22  ARG  11          HH22      ARG  11   3.930  -2.677  -0.678
  102    H    ILE  12           HN       ILE  12   9.106  -3.450   4.427
  103    HA   ILE  12           HA       ILE  12   7.785  -5.596   6.056
  104    HB   ILE  12           HB       ILE  12  10.360  -4.576   7.000
  105   HG12  ILE  12          HG12      ILE  12  10.146  -5.685   4.192
  106   HG13  ILE  12          HG11      ILE  12  10.885  -4.164   4.690
  107   HG21  ILE  12          HG21      ILE  12  10.606  -6.758   7.602
  108   HG22  ILE  12          HG22      ILE  12  10.101  -7.350   6.018
  109   HG23  ILE  12          HG23      ILE  12   8.890  -6.877   7.210
  110   HD11  ILE  12          HD11      ILE  12  12.476  -5.587   6.115
  111   HD12  ILE  12          HD12      ILE  12  12.706  -5.668   4.369
  112   HD13  ILE  12          HD13      ILE  12  11.872  -6.975   5.210
  113    H    LEU  13           HN       LEU  13   8.845  -2.236   5.921
  114    HA   LEU  13           HA       LEU  13   8.167  -1.671   8.708
  115    HB2  LEU  13           HB2      LEU  13   9.272  -0.336   6.286
  116    HB3  LEU  13           HB1      LEU  13   8.581   0.693   7.523
  117    HG   LEU  13           HG       LEU  13  10.054  -0.998   9.051
  118   HD11  LEU  13          HD11      LEU  13  10.990  -2.197   7.155
  119   HD12  LEU  13          HD12      LEU  13  12.266  -1.220   7.886
  120   HD13  LEU  13          HD13      LEU  13  11.484  -0.681   6.400
  121   HD21  LEU  13          HD21      LEU  13  10.204   1.711   8.136
  122   HD22  LEU  13          HD22      LEU  13  11.839   1.049   8.175
  123   HD23  LEU  13          HD23      LEU  13  10.844   1.029   9.632
  Start of MODEL   16
    1    H1   PHE   1           HT1      PHE   1   9.910  11.316   0.430
    2    H2   PHE   1           HT2      PHE   1  10.259   9.891  -0.428
    3    H3   PHE   1           HT3      PHE   1  10.883  11.379  -0.959
    4    HA   PHE   1           HA       PHE   1  12.406  11.521   0.809
    5    HB2  PHE   1           HB2      PHE   1  10.246  10.018   2.020
    6    HB3  PHE   1           HB1      PHE   1  11.795   9.261   2.393
    7    HD1  PHE   1           HD1      PHE   1  13.507  10.448   3.672
    8    HD2  PHE   1           HD2      PHE   1   9.748  12.306   2.738
    9    HE1  PHE   1           HE1      PHE   1  13.974  12.229   5.333
   10    HE2  PHE   1           HE2      PHE   1  10.215  14.087   4.400
   11    HZ   PHE   1           HZ       PHE   1  12.328  14.048   5.697
   12    H    VAL   2           HN       VAL   2  11.428   8.081   0.622
   13    HA   VAL   2           HA       VAL   2  13.838   7.540  -1.062
   14    HB   VAL   2           HB       VAL   2  13.710   5.435   0.747
   15   HG11  VAL   2          HG11      VAL   2  15.853   6.155   0.367
   16   HG12  VAL   2          HG12      VAL   2  15.583   7.032   1.873
   17   HG13  VAL   2          HG13      VAL   2  15.382   7.855   0.327
   18   HG21  VAL   2          HG21      VAL   2  13.322   8.020   2.277
   19   HG22  VAL   2          HG22      VAL   2  13.471   6.395   2.945
   20   HG23  VAL   2          HG23      VAL   2  12.036   6.843   2.023
   21    H    GLN   3           HN       GLN   3  13.018   6.525  -2.850
   22    HA   GLN   3           HA       GLN   3  10.593   4.810  -2.566
   23    HB2  GLN   3           HB2      GLN   3  10.335   5.210  -4.918
   24    HB3  GLN   3           HB1      GLN   3  10.832   6.750  -4.217
   25    HG2  GLN   3           HG2      GLN   3  13.203   6.192  -4.812
   26    HG3  GLN   3           HG1      GLN   3  12.613   4.749  -5.638
   27   HE21  GLN   3          HE21      GLN   3  12.963   8.220  -5.886
   28   HE22  GLN   3          HE22      GLN   3  12.275   8.379  -7.429
   29    H    TRP   4           HN       TRP   4  13.970   4.748  -3.657
   30    HA   TRP   4           HA       TRP   4  13.886   2.020  -4.658
   31    HB2  TRP   4           HB2      TRP   4  15.681   4.262  -4.461
   32    HB3  TRP   4           HB1      TRP   4  16.511   2.813  -3.893
   33    HD1  TRP   4           HD1      TRP   4  15.397   4.542  -6.989
   34    HE1  TRP   4           HE1      TRP   4  15.858   3.063  -9.050
   35    HE3  TRP   4           HE3      TRP   4  16.521   0.129  -4.676
   36    HZ2  TRP   4           HZ2      TRP   4  16.605   0.365  -9.640
   37    HZ3  TRP   4           HZ3      TRP   4  17.102  -1.877  -6.010
   38    HH2  TRP   4           HH2      TRP   4  17.146  -1.765  -8.487
   39    H    PHE   5           HN       PHE   5  14.824   3.553  -1.590
   40    HA   PHE   5           HA       PHE   5  15.786   1.087  -0.373
   41    HB2  PHE   5           HB2      PHE   5  16.401   3.527   0.129
   42    HB3  PHE   5           HB1      PHE   5  14.860   3.633   0.978
   43    HD1  PHE   5           HD1      PHE   5  14.875   3.198   3.262
   44    HD2  PHE   5           HD2      PHE   5  17.807   1.310   0.753
   45    HE1  PHE   5           HE1      PHE   5  15.902   2.144   5.257
   46    HE2  PHE   5           HE2      PHE   5  18.834   0.256   2.750
   47    HZ   PHE   5           HZ       PHE   5  17.882   0.672   5.000
   48    H    SER   6           HN       SER   6  12.707   2.815  -0.508
   49    HA   SER   6           HA       SER   6  11.403   1.382   1.638
   50    HB2  SER   6           HB2      SER   6  10.666   3.153  -0.660
   51    HB3  SER   6           HB1      SER   6   9.374   2.252   0.134
   52    HG   SER   6           HG       SER   6   9.467   3.670   1.652
   53    H    LYS   7           HN       LYS   7  12.057   0.639  -1.713
   54    HA   LYS   7           HA       LYS   7  10.008  -1.243  -2.286
   55    HB2  LYS   7           HB2      LYS   7  12.844  -0.745  -3.126
   56    HB3  LYS   7           HB1      LYS   7  12.025  -2.195  -3.709
   57    HG2  LYS   7           HG2      LYS   7  10.091  -0.334  -4.139
   58    HG3  LYS   7           HG1      LYS   7  11.535   0.651  -4.375
   59    HD2  LYS   7           HD2      LYS   7  11.249  -2.052  -5.687
   60    HD3  LYS   7           HD1      LYS   7  10.592  -0.598  -6.437
   61    HE2  LYS   7           HE2      LYS   7  13.223   0.067  -5.611
   62    HE3  LYS   7           HE1      LYS   7  13.328  -1.514  -6.410
   63    HZ1  LYS   7           HZ1      LYS   7  11.708   0.708  -7.516
   64    HZ2  LYS   7           HZ2      LYS   7  12.240  -0.699  -8.305
   65    HZ3  LYS   7           HZ3      LYS   7  13.348   0.526  -7.908
   66    H    PHE   8           HN       PHE   8  12.742  -1.461  -0.151
   67    HA   PHE   8           HA       PHE   8  12.280  -4.409   0.191
   68    HB2  PHE   8           HB2      PHE   8  14.574  -2.786  -0.285
   69    HB3  PHE   8           HB1      PHE   8  14.711  -3.410   1.355
   70    HD1  PHE   8           HD1      PHE   8  15.122  -5.727   1.785
   71    HD2  PHE   8           HD2      PHE   8  14.260  -4.385  -2.202
   72    HE1  PHE   8           HE1      PHE   8  15.779  -7.947   0.895
   73    HE2  PHE   8           HE2      PHE   8  14.916  -6.604  -3.092
   74    HZ   PHE   8           HZ       PHE   8  15.677  -8.386  -1.543
   75    H    LEU   9           HN       LEU   9  12.565  -1.276   1.711
   76    HA   LEU   9           HA       LEU   9  12.463  -2.229   4.459
   77    HB2  LEU   9           HB2      LEU   9  13.580  -0.221   4.183
   78    HB3  LEU   9           HB1      LEU   9  12.571   0.280   2.845
   79    HG   LEU   9           HG       LEU   9  10.765   0.804   4.326
   80   HD11  LEU   9          HD11      LEU   9  11.862   0.645   6.903
   81   HD12  LEU   9          HD12      LEU   9  12.281  -0.886   6.133
   82   HD13  LEU   9          HD13      LEU   9  10.595  -0.383   6.236
   83   HD21  LEU   9          HD21      LEU   9  11.651   2.783   5.131
   84   HD22  LEU   9          HD22      LEU   9  12.969   2.284   4.071
   85   HD23  LEU   9          HD23      LEU   9  13.072   1.986   5.806
   86    H    GLY  10           HN       GLY  10  10.312  -0.355   2.325
   87    HA2  GLY  10           HA2      GLY  10   8.040  -0.257   3.987
   88    HA3  GLY  10           HA1      GLY  10   7.960  -0.258   2.224
   89    H    ARG  11           HN       ARG  11   9.361  -2.911   2.147
   90    HA   ARG  11           HA       ARG  11   7.060  -4.624   2.080
   91    HB2  ARG  11           HB2      ARG  11   9.999  -5.347   2.306
   92    HB3  ARG  11           HB1      ARG  11   8.724  -6.334   1.593
   93    HG2  ARG  11           HG2      ARG  11   9.969  -3.805   0.533
   94    HG3  ARG  11           HG1      ARG  11   9.734  -5.348  -0.286
   95    HD2  ARG  11           HD2      ARG  11   7.578  -3.343   0.461
   96    HD3  ARG  11           HD1      ARG  11   8.082  -3.814  -1.173
   97    HE   ARG  11           HE       ARG  11   7.428  -6.210   0.132
   98   HH11  ARG  11          HH11      ARG  11   5.390  -7.147  -0.041
   99   HH12  ARG  11          HH12      ARG  11   4.024  -6.163  -0.448
  100   HH21  ARG  11          HH21      ARG  11   5.843  -3.225  -0.676
  101   HH22  ARG  11          HH22      ARG  11   4.281  -3.957  -0.804
  102    H    ILE  12           HN       ILE  12   9.183  -3.663   4.648
  103    HA   ILE  12           HA       ILE  12   8.158  -5.870   6.395
  104    HB   ILE  12           HB       ILE  12  10.383  -4.108   7.262
  105   HG12  ILE  12          HG12      ILE  12  10.616  -5.950   4.869
  106   HG13  ILE  12          HG11      ILE  12  10.976  -4.225   4.925
  107   HG21  ILE  12          HG21      ILE  12   9.594  -6.166   8.456
  108   HG22  ILE  12          HG22      ILE  12  11.301  -6.227   8.017
  109   HG23  ILE  12          HG23      ILE  12  10.114  -7.121   7.067
  110   HD11  ILE  12          HD11      ILE  12  12.436  -6.375   6.485
  111   HD12  ILE  12          HD12      ILE  12  12.788  -4.647   6.540
  112   HD13  ILE  12          HD13      ILE  12  13.048  -5.554   5.049
  113    H    LEU  13           HN       LEU  13   8.609  -2.369   6.097
  114    HA   LEU  13           HA       LEU  13   7.442  -1.793   8.710
  115    HB2  LEU  13           HB2      LEU  13   8.658  -0.405   6.370
  116    HB3  LEU  13           HB1      LEU  13   7.684   0.545   7.476
  117    HG   LEU  13           HG       LEU  13  10.100   0.493   8.113
  118   HD11  LEU  13          HD11      LEU  13   9.542   0.575  10.319
  119   HD12  LEU  13          HD12      LEU  13   8.877  -1.058  10.300
  120   HD13  LEU  13          HD13      LEU  13   7.900   0.297   9.736
  121   HD21  LEU  13          HD21      LEU  13  10.233  -1.986   7.275
  122   HD22  LEU  13          HD22      LEU  13   9.705  -2.374   8.913
  123   HD23  LEU  13          HD23      LEU  13  11.210  -1.490   8.657
  Start of MODEL   17
    1    H1   PHE   1           HT1      PHE   1  12.043  12.541   1.163
    2    H2   PHE   1           HT2      PHE   1  13.513  11.964   0.535
    3    H3   PHE   1           HT3      PHE   1  12.720  11.111   1.772
    4    HA   PHE   1           HA       PHE   1  10.879  10.594   0.280
    5    HB2  PHE   1           HB2      PHE   1  11.937  12.854  -0.983
    6    HB3  PHE   1           HB1      PHE   1  12.269  11.537  -2.107
    7    HD1  PHE   1           HD1      PHE   1  10.271   9.848  -2.491
    8    HD2  PHE   1           HD2      PHE   1   9.827  13.856  -1.010
    9    HE1  PHE   1           HE1      PHE   1   7.891   9.842  -3.189
   10    HE2  PHE   1           HE2      PHE   1   7.447  13.850  -1.708
   11    HZ   PHE   1           HZ       PHE   1   6.480  11.843  -2.797
   12    H    VAL   2           HN       VAL   2  11.326   8.419   0.227
   13    HA   VAL   2           HA       VAL   2  13.727   7.520  -1.325
   14    HB   VAL   2           HB       VAL   2  13.225   5.723   0.818
   15   HG11  VAL   2          HG11      VAL   2  15.366   6.974  -0.424
   16   HG12  VAL   2          HG12      VAL   2  15.477   5.882   0.957
   17   HG13  VAL   2          HG13      VAL   2  15.416   7.625   1.214
   18   HG21  VAL   2          HG21      VAL   2  11.962   7.569   1.883
   19   HG22  VAL   2          HG22      VAL   2  13.364   8.622   1.704
   20   HG23  VAL   2          HG23      VAL   2  13.448   7.217   2.765
   21    H    GLN   3           HN       GLN   3  12.849   6.399  -3.026
   22    HA   GLN   3           HA       GLN   3  10.416   4.724  -2.535
   23    HB2  GLN   3           HB2      GLN   3   9.842   5.208  -4.740
   24    HB3  GLN   3           HB1      GLN   3  10.736   6.667  -4.320
   25    HG2  GLN   3           HG2      GLN   3  12.811   5.558  -5.231
   26    HG3  GLN   3           HG1      GLN   3  11.785   4.247  -5.813
   27   HE21  GLN   3          HE21      GLN   3  10.872   4.546  -7.861
   28   HE22  GLN   3          HE22      GLN   3  10.776   6.036  -8.669
   29    H    TRP   4           HN       TRP   4  13.736   4.700  -3.736
   30    HA   TRP   4           HA       TRP   4  13.677   1.953  -4.704
   31    HB2  TRP   4           HB2      TRP   4  15.514   4.224  -4.430
   32    HB3  TRP   4           HB1      TRP   4  16.310   2.674  -4.160
   33    HD1  TRP   4           HD1      TRP   4  13.346   2.922  -6.525
   34    HE1  TRP   4           HE1      TRP   4  14.152   2.477  -8.932
   35    HE3  TRP   4           HE3      TRP   4  18.396   2.844  -5.766
   36    HZ2  TRP   4           HZ2      TRP   4  16.611   2.134 -10.349
   37    HZ3  TRP   4           HZ3      TRP   4  19.945   2.458  -7.661
   38    HH2  TRP   4           HH2      TRP   4  19.061   2.103  -9.950
   39    H    PHE   5           HN       PHE   5  14.577   3.582  -1.692
   40    HA   PHE   5           HA       PHE   5  15.683   1.199  -0.432
   41    HB2  PHE   5           HB2      PHE   5  16.122   3.721  -0.011
   42    HB3  PHE   5           HB1      PHE   5  14.629   3.682   0.929
   43    HD1  PHE   5           HD1      PHE   5  15.171   3.685   3.205
   44    HD2  PHE   5           HD2      PHE   5  17.408   1.199   0.510
   45    HE1  PHE   5           HE1      PHE   5  16.408   2.717   5.125
   46    HE2  PHE   5           HE2      PHE   5  18.646   0.232   2.430
   47    HZ   PHE   5           HZ       PHE   5  18.146   0.992   4.736
   48    H    SER   6           HN       SER   6  12.541   2.858  -0.440
   49    HA   SER   6           HA       SER   6  11.315   1.407   1.700
   50    HB2  SER   6           HB2      SER   6  10.122   3.272   1.035
   51    HB3  SER   6           HB1      SER   6  10.492   3.025  -0.671
   52    HG   SER   6           HG       SER   6   8.863   1.212   0.733
   53    H    LYS   7           HN       LYS   7  11.821   0.635  -1.703
   54    HA   LYS   7           HA       LYS   7   9.978  -1.449  -2.116
   55    HB2  LYS   7           HB2      LYS   7  12.826  -0.974  -3.016
   56    HB3  LYS   7           HB1      LYS   7  11.835  -2.275  -3.675
   57    HG2  LYS   7           HG2      LYS   7  10.557   0.402  -3.598
   58    HG3  LYS   7           HG1      LYS   7  11.901   0.230  -4.726
   59    HD2  LYS   7           HD2      LYS   7   9.618  -1.753  -4.589
   60    HD3  LYS   7           HD1      LYS   7   9.602  -0.354  -5.662
   61    HE2  LYS   7           HE2      LYS   7  11.548  -1.137  -6.849
   62    HE3  LYS   7           HE1      LYS   7  11.843  -2.402  -5.642
   63    HZ1  LYS   7           HZ1      LYS   7  10.061  -3.623  -6.350
   64    HZ2  LYS   7           HZ2      LYS   7  10.475  -2.893  -7.828
   65    HZ3  LYS   7           HZ3      LYS   7   9.196  -2.270  -6.897
   66    H    PHE   8           HN       PHE   8  12.894  -1.422  -0.155
   67    HA   PHE   8           HA       PHE   8  12.592  -4.367   0.338
   68    HB2  PHE   8           HB2      PHE   8  14.763  -2.611  -0.273
   69    HB3  PHE   8           HB1      PHE   8  15.007  -3.217   1.361
   70    HD1  PHE   8           HD1      PHE   8  16.650  -4.898   1.191
   71    HD2  PHE   8           HD2      PHE   8  13.367  -4.848  -1.579
   72    HE1  PHE   8           HE1      PHE   8  17.382  -7.086   0.284
   73    HE2  PHE   8           HE2      PHE   8  14.100  -7.036  -2.487
   74    HZ   PHE   8           HZ       PHE   8  16.106  -8.156  -1.555
   75    H    LEU   9           HN       LEU   9  12.627  -1.174   1.725
   76    HA   LEU   9           HA       LEU   9  12.717  -2.110   4.506
   77    HB2  LEU   9           HB2      LEU   9  13.833  -0.109   4.176
   78    HB3  LEU   9           HB1      LEU   9  12.765   0.398   2.887
   79    HG   LEU   9           HG       LEU   9  11.031   0.928   4.446
   80   HD11  LEU   9          HD11      LEU   9  12.764  -0.624   6.283
   81   HD12  LEU   9          HD12      LEU   9  11.005  -0.498   6.238
   82   HD13  LEU   9          HD13      LEU   9  11.962   0.779   6.990
   83   HD21  LEU   9          HD21      LEU   9  12.797   2.350   6.084
   84   HD22  LEU   9          HD22      LEU   9  12.117   2.905   4.553
   85   HD23  LEU   9          HD23      LEU   9  13.687   2.100   4.581
   86    H    GLY  10           HN       GLY  10  10.514  -0.190   2.472
   87    HA2  GLY  10           HA2      GLY  10   8.298  -0.092   4.206
   88    HA3  GLY  10           HA1      GLY  10   8.157  -0.063   2.453
   89    H    ARG  11           HN       ARG  11   9.488  -2.749   2.276
   90    HA   ARG  11           HA       ARG  11   7.147  -4.388   2.229
   91    HB2  ARG  11           HB2      ARG  11   8.594  -5.892   1.285
   92    HB3  ARG  11           HB1      ARG  11   9.590  -4.445   1.149
   93    HG2  ARG  11           HG2      ARG  11  10.669  -5.013   3.313
   94    HG3  ARG  11           HG1      ARG  11   9.718  -6.501   3.374
   95    HD2  ARG  11           HD2      ARG  11  10.874  -6.398   0.794
   96    HD3  ARG  11           HD1      ARG  11  12.171  -6.017   1.946
   97    HE   ARG  11           HE       ARG  11  10.465  -8.228   2.813
   98   HH11  ARG  11          HH11      ARG  11  11.427 -10.255   2.915
   99   HH12  ARG  11          HH12      ARG  11  12.948 -10.526   2.134
  100   HH21  ARG  11          HH21      ARG  11  13.232  -7.294   0.929
  101   HH22  ARG  11          HH22      ARG  11  13.961  -8.859   1.017
  102    H    ILE  12           HN       ILE  12   9.561  -3.797   4.717
  103    HA   ILE  12           HA       ILE  12   8.640  -6.040   6.403
  104    HB   ILE  12           HB       ILE  12  10.407  -3.755   7.265
  105   HG12  ILE  12          HG12      ILE  12  10.889  -5.727   5.096
  106   HG13  ILE  12          HG11      ILE  12  11.537  -4.103   5.298
  107   HG21  ILE  12          HG21      ILE  12  11.382  -5.368   8.681
  108   HG22  ILE  12          HG22      ILE  12  10.812  -6.713   7.691
  109   HG23  ILE  12          HG23      ILE  12   9.675  -5.810   8.691
  110   HD11  ILE  12          HD11      ILE  12  12.823  -5.134   7.324
  111   HD12  ILE  12          HD12      ILE  12  13.415  -5.453   5.695
  112   HD13  ILE  12          HD13      ILE  12  12.476  -6.677   6.545
  113    H    LEU  13           HN       LEU  13   7.813  -2.740   5.860
  114    HA   LEU  13           HA       LEU  13   6.742  -2.210   8.513
  115    HB2  LEU  13           HB2      LEU  13   6.287  -0.745   5.910
  116    HB3  LEU  13           HB1      LEU  13   6.324  -0.087   7.530
  117    HG   LEU  13           HG       LEU  13   8.615  -0.999   5.841
  118   HD11  LEU  13          HD11      LEU  13   7.694   1.480   7.176
  119   HD12  LEU  13          HD12      LEU  13   8.562   1.276   5.654
  120   HD13  LEU  13          HD13      LEU  13   9.434   1.194   7.185
  121   HD21  LEU  13          HD21      LEU  13   9.341  -2.143   7.688
  122   HD22  LEU  13          HD22      LEU  13   8.360  -1.180   8.797
  123   HD23  LEU  13          HD23      LEU  13   9.871  -0.528   8.163
  Start of MODEL   18
    1    H1   PHE   1           HT1      PHE   1  12.223  10.639   2.331
    2    H2   PHE   1           HT2      PHE   1  11.334  11.958   1.732
    3    H3   PHE   1           HT3      PHE   1  12.804  11.518   1.002
    4    HA   PHE   1           HA       PHE   1  10.412   9.751   1.069
    5    HB2  PHE   1           HB2      PHE   1  11.443  11.772  -0.945
    6    HB3  PHE   1           HB1      PHE   1  10.227  10.554  -1.330
    7    HD1  PHE   1           HD1      PHE   1   8.071  10.504   0.012
    8    HD2  PHE   1           HD2      PHE   1  10.860  13.765   0.210
    9    HE1  PHE   1           HE1      PHE   1   6.307  11.954   0.984
   10    HE2  PHE   1           HE2      PHE   1   9.097  15.215   1.181
   11    HZ   PHE   1           HZ       PHE   1   6.821  14.308   1.568
   12    H    VAL   2           HN       VAL   2  11.006   7.706   0.467
   13    HA   VAL   2           HA       VAL   2  13.459   7.350  -1.208
   14    HB   VAL   2           HB       VAL   2  13.402   5.246   0.651
   15   HG11  VAL   2          HG11      VAL   2  15.388   6.419  -0.276
   16   HG12  VAL   2          HG12      VAL   2  15.461   6.293   1.481
   17   HG13  VAL   2          HG13      VAL   2  15.009   7.820   0.725
   18   HG21  VAL   2          HG21      VAL   2  13.269   6.354   2.819
   19   HG22  VAL   2          HG22      VAL   2  11.759   6.624   1.947
   20   HG23  VAL   2          HG23      VAL   2  12.966   7.908   2.042
   21    H    GLN   3           HN       GLN   3  12.615   6.363  -3.020
   22    HA   GLN   3           HA       GLN   3  10.345   4.468  -2.750
   23    HB2  GLN   3           HB2      GLN   3  10.186   4.746  -5.135
   24    HB3  GLN   3           HB1      GLN   3  10.542   6.342  -4.475
   25    HG2  GLN   3           HG2      GLN   3  12.958   5.963  -4.949
   26    HG3  GLN   3           HG1      GLN   3  12.547   4.414  -5.686
   27   HE21  GLN   3          HE21      GLN   3  13.675   6.971  -6.932
   28   HE22  GLN   3          HE22      GLN   3  12.609   7.327  -8.204
   29    H    TRP   4           HN       TRP   4  13.751   4.555  -3.759
   30    HA   TRP   4           HA       TRP   4  13.840   1.747  -4.534
   31    HB2  TRP   4           HB2      TRP   4  15.384   4.062  -4.810
   32    HB3  TRP   4           HB1      TRP   4  16.362   3.015  -3.783
   33    HD1  TRP   4           HD1      TRP   4  15.504   0.221  -4.980
   34    HE1  TRP   4           HE1      TRP   4  16.322  -0.466  -7.326
   35    HE3  TRP   4           HE3      TRP   4  16.604   4.818  -6.915
   36    HZ2  TRP   4           HZ2      TRP   4  17.311   0.769  -9.708
   37    HZ3  TRP   4           HZ3      TRP   4  17.481   5.033  -9.222
   38    HH2  TRP   4           HH2      TRP   4  17.836   3.017 -10.621
   39    H    PHE   5           HN       PHE   5  14.592   3.630  -1.631
   40    HA   PHE   5           HA       PHE   5  15.763   1.378  -0.179
   41    HB2  PHE   5           HB2      PHE   5  15.831   4.103  -0.020
   42    HB3  PHE   5           HB1      PHE   5  14.674   3.732   1.259
   43    HD1  PHE   5           HD1      PHE   5  17.583   4.848   1.512
   44    HD2  PHE   5           HD2      PHE   5  15.900   0.907   1.811
   45    HE1  PHE   5           HE1      PHE   5  19.448   4.165   2.997
   46    HE2  PHE   5           HE2      PHE   5  17.765   0.224   3.297
   47    HZ   PHE   5           HZ       PHE   5  19.539   1.853   3.889
   48    H    SER   6           HN       SER   6  12.561   2.652  -0.719
   49    HA   SER   6           HA       SER   6  11.354   1.364   1.629
   50    HB2  SER   6           HB2      SER   6  10.318   3.355   0.880
   51    HB3  SER   6           HB1      SER   6  10.412   2.868  -0.813
   52    HG   SER   6           HG       SER   6   8.303   2.645   0.118
   53    H    LYS   7           HN       LYS   7  12.063   0.529  -1.684
   54    HA   LYS   7           HA       LYS   7  10.130  -1.528  -2.129
   55    HB2  LYS   7           HB2      LYS   7  12.949  -1.004  -3.093
   56    HB3  LYS   7           HB1      LYS   7  11.960  -2.312  -3.739
   57    HG2  LYS   7           HG2      LYS   7  10.431   0.140  -3.665
   58    HG3  LYS   7           HG1      LYS   7  11.938   0.395  -4.542
   59    HD2  LYS   7           HD2      LYS   7  10.437  -2.113  -5.126
   60    HD3  LYS   7           HD1      LYS   7   9.750  -0.606  -5.734
   61    HE2  LYS   7           HE2      LYS   7  11.511  -0.242  -7.196
   62    HE3  LYS   7           HE1      LYS   7  12.684  -1.062  -6.147
   63    HZ1  LYS   7           HZ1      LYS   7  10.458  -2.396  -7.607
   64    HZ2  LYS   7           HZ2      LYS   7  11.625  -3.166  -6.642
   65    HZ3  LYS   7           HZ3      LYS   7  12.082  -2.415  -8.096
   66    H    PHE   8           HN       PHE   8  12.821  -1.412   0.021
   67    HA   PHE   8           HA       PHE   8  12.797  -4.396   0.304
   68    HB2  PHE   8           HB2      PHE   8  14.851  -2.551  -0.147
   69    HB3  PHE   8           HB1      PHE   8  14.978  -2.926   1.568
   70    HD1  PHE   8           HD1      PHE   8  14.145  -4.848  -1.554
   71    HD2  PHE   8           HD2      PHE   8  16.483  -4.627   2.042
   72    HE1  PHE   8           HE1      PHE   8  15.203  -7.023  -2.108
   73    HE2  PHE   8           HE2      PHE   8  17.541  -6.801   1.489
   74    HZ   PHE   8           HZ       PHE   8  16.901  -7.999  -0.586
   75    H    LEU   9           HN       LEU   9  12.886  -1.297   2.040
   76    HA   LEU   9           HA       LEU   9  12.385  -2.611   4.637
   77    HB2  LEU   9           HB2      LEU   9  12.512   0.326   3.895
   78    HB3  LEU   9           HB1      LEU   9  12.779  -0.386   5.485
   79    HG   LEU   9           HG       LEU   9  14.522  -0.673   3.026
   80   HD11  LEU   9          HD11      LEU   9  14.979   0.441   5.811
   81   HD12  LEU   9          HD12      LEU   9  14.907   1.364   4.309
   82   HD13  LEU   9          HD13      LEU   9  16.241   0.247   4.595
   83   HD21  LEU   9          HD21      LEU   9  14.819  -2.793   3.842
   84   HD22  LEU   9          HD22      LEU   9  14.236  -2.366   5.450
   85   HD23  LEU   9          HD23      LEU   9  15.887  -1.963   4.975
   86    H    GLY  10           HN       GLY  10  10.739  -0.373   2.390
   87    HA2  GLY  10           HA2      GLY  10   8.384   0.034   3.928
   88    HA3  GLY  10           HA1      GLY  10   8.463   0.157   2.171
   89    H    ARG  11           HN       ARG  11   9.490  -2.723   2.134
   90    HA   ARG  11           HA       ARG  11   6.923  -4.011   1.748
   91    HB2  ARG  11           HB2      ARG  11   9.703  -5.204   2.004
   92    HB3  ARG  11           HB1      ARG  11   8.322  -5.922   1.176
   93    HG2  ARG  11           HG2      ARG  11   9.843  -3.424   0.386
   94    HG3  ARG  11           HG1      ARG  11   9.722  -4.934  -0.513
   95    HD2  ARG  11           HD2      ARG  11   8.072  -3.763  -1.625
   96    HD3  ARG  11           HD1      ARG  11   7.083  -4.337  -0.267
   97    HE   ARG  11           HE       ARG  11   8.546  -1.872   0.321
   98   HH11  ARG  11          HH11      ARG  11   7.310  -0.019   0.617
   99   HH12  ARG  11          HH12      ARG  11   5.648  -0.005   0.131
  100   HH21  ARG  11          HH21      ARG  11   5.663  -3.263  -1.038
  101   HH22  ARG  11          HH22      ARG  11   4.725  -1.830  -0.799
  102    H    ILE  12           HN       ILE  12   9.065  -3.624   4.452
  103    HA   ILE  12           HA       ILE  12   7.553  -5.710   5.989
  104    HB   ILE  12           HB       ILE  12  10.072  -4.689   7.100
  105   HG12  ILE  12          HG12      ILE  12  10.016  -5.922   4.340
  106   HG13  ILE  12          HG11      ILE  12  10.789  -4.417   4.833
  107   HG21  ILE  12          HG21      ILE  12  10.216  -6.836   7.842
  108   HG22  ILE  12          HG22      ILE  12   9.815  -7.507   6.261
  109   HG23  ILE  12          HG23      ILE  12   8.531  -6.942   7.330
  110   HD11  ILE  12          HD11      ILE  12  12.186  -5.873   6.439
  111   HD12  ILE  12          HD12      ILE  12  12.568  -5.978   4.720
  112   HD13  ILE  12          HD13      ILE  12  11.615  -7.246   5.489
  113    H    LEU  13           HN       LEU  13   8.695  -2.382   5.895
  114    HA   LEU  13           HA       LEU  13   7.745  -1.767   8.601
  115    HB2  LEU  13           HB2      LEU  13   9.252  -0.540   6.347
  116    HB3  LEU  13           HB1      LEU  13   8.471   0.554   7.472
  117    HG   LEU  13           HG       LEU  13   9.602  -1.217   9.196
  118   HD11  LEU  13          HD11      LEU  13  11.722  -1.946   8.439
  119   HD12  LEU  13          HD12      LEU  13  11.685  -0.870   7.042
  120   HD13  LEU  13          HD13      LEU  13  10.642  -2.293   7.087
  121   HD21  LEU  13          HD21      LEU  13  11.217   0.500   9.657
  122   HD22  LEU  13          HD22      LEU  13   9.761   1.321   9.094
  123   HD23  LEU  13          HD23      LEU  13  11.131   1.107   8.005
  Start of MODEL   19
    1    H1   PHE   1           HT1      PHE   1  13.143  12.153  -0.558
    2    H2   PHE   1           HT2      PHE   1  11.642  12.887  -0.247
    3    H3   PHE   1           HT3      PHE   1  11.922  12.115  -1.735
    4    HA   PHE   1           HA       PHE   1  11.524  10.876   0.927
    5    HB2  PHE   1           HB2      PHE   1  10.329  10.389  -1.817
    6    HB3  PHE   1           HB1      PHE   1   9.712   9.809  -0.269
    7    HD1  PHE   1           HD1      PHE   1  10.079  12.725  -2.484
    8    HD2  PHE   1           HD2      PHE   1   8.602  11.327   1.299
    9    HE1  PHE   1           HE1      PHE   1   8.767  14.813  -2.226
   10    HE2  PHE   1           HE2      PHE   1   7.289  13.416   1.558
   11    HZ   PHE   1           HZ       PHE   1   7.372  15.158  -0.205
   12    H    VAL   2           HN       VAL   2  11.195   8.290   0.019
   13    HA   VAL   2           HA       VAL   2  13.735   7.574  -1.383
   14    HB   VAL   2           HB       VAL   2  13.538   5.705   0.627
   15   HG11  VAL   2          HG11      VAL   2  15.619   6.739   0.096
   16   HG12  VAL   2          HG12      VAL   2  15.293   7.186   1.770
   17   HG13  VAL   2          HG13      VAL   2  15.000   8.347   0.475
   18   HG21  VAL   2          HG21      VAL   2  12.792   8.385   1.830
   19   HG22  VAL   2          HG22      VAL   2  13.020   6.863   2.690
   20   HG23  VAL   2          HG23      VAL   2  11.649   7.062   1.598
   21    H    GLN   3           HN       GLN   3  13.069   6.324  -3.086
   22    HA   GLN   3           HA       GLN   3  10.621   4.645  -2.781
   23    HB2  GLN   3           HB2      GLN   3  10.501   4.785  -5.151
   24    HB3  GLN   3           HB1      GLN   3  11.068   6.378  -4.648
   25    HG2  GLN   3           HG2      GLN   3  13.427   5.568  -5.020
   26    HG3  GLN   3           HG1      GLN   3  12.752   4.090  -5.706
   27   HE21  GLN   3          HE21      GLN   3  12.009   7.616  -6.071
   28   HE22  GLN   3          HE22      GLN   3  11.998   7.581  -7.769
   29    H    TRP   4           HN       TRP   4  14.081   4.461  -3.525
   30    HA   TRP   4           HA       TRP   4  14.023   1.599  -4.138
   31    HB2  TRP   4           HB2      TRP   4  15.773   3.840  -4.357
   32    HB3  TRP   4           HB1      TRP   4  16.617   2.605  -3.422
   33    HD1  TRP   4           HD1      TRP   4  16.195  -0.009  -4.602
   34    HE1  TRP   4           HE1      TRP   4  16.593  -0.610  -7.077
   35    HE3  TRP   4           HE3      TRP   4  15.950   4.646  -6.692
   36    HZ2  TRP   4           HZ2      TRP   4  16.782   0.710  -9.609
   37    HZ3  TRP   4           HZ3      TRP   4  16.243   4.944  -9.134
   38    HH2  TRP   4           HH2      TRP   4  16.658   2.983 -10.594
   39    H    PHE   5           HN       PHE   5  14.698   3.623  -1.314
   40    HA   PHE   5           HA       PHE   5  15.716   1.402   0.305
   41    HB2  PHE   5           HB2      PHE   5  16.205   3.959   0.390
   42    HB3  PHE   5           HB1      PHE   5  14.693   4.064   1.292
   43    HD1  PHE   5           HD1      PHE   5  15.007   4.159   3.592
   44    HD2  PHE   5           HD2      PHE   5  17.615   1.695   1.229
   45    HE1  PHE   5           HE1      PHE   5  16.183   3.432   5.649
   46    HE2  PHE   5           HE2      PHE   5  18.792   0.968   3.288
   47    HZ   PHE   5           HZ       PHE   5  18.075   1.836   5.499
   48    H    SER   6           HN       SER   6  12.607   2.800  -0.424
   49    HA   SER   6           HA       SER   6  11.307   1.563   1.936
   50    HB2  SER   6           HB2      SER   6  10.904   3.860   0.552
   51    HB3  SER   6           HB1      SER   6   9.757   2.806  -0.276
   52    HG   SER   6           HG       SER   6   9.080   3.990   1.733
   53    H    LYS   7           HN       LYS   7  11.873   0.926  -1.444
   54    HA   LYS   7           HA       LYS   7   9.686  -0.877  -1.949
   55    HB2  LYS   7           HB2      LYS   7  12.265  -0.047  -3.131
   56    HB3  LYS   7           HB1      LYS   7  11.742  -1.669  -3.579
   57    HG2  LYS   7           HG2      LYS   7   9.419  -0.126  -3.747
   58    HG3  LYS   7           HG1      LYS   7  10.676   0.911  -4.421
   59    HD2  LYS   7           HD2      LYS   7  11.311  -1.486  -5.567
   60    HD3  LYS   7           HD1      LYS   7   9.555  -1.619  -5.465
   61    HE2  LYS   7           HE2      LYS   7   9.281   0.490  -6.674
   62    HE3  LYS   7           HE1      LYS   7  11.038   0.741  -6.685
   63    HZ1  LYS   7           HZ1      LYS   7  11.296  -0.744  -8.322
   64    HZ2  LYS   7           HZ2      LYS   7   9.616  -0.647  -8.560
   65    HZ3  LYS   7           HZ3      LYS   7  10.268  -1.874  -7.583
   66    H    PHE   8           HN       PHE   8  12.678  -1.208  -0.206
   67    HA   PHE   8           HA       PHE   8  12.389  -4.185  -0.157
   68    HB2  PHE   8           HB2      PHE   8  14.536  -2.386  -0.530
   69    HB3  PHE   8           HB1      PHE   8  14.777  -3.096   1.063
   70    HD1  PHE   8           HD1      PHE   8  14.825  -3.670  -2.524
   71    HD2  PHE   8           HD2      PHE   8  14.842  -5.601   1.313
   72    HE1  PHE   8           HE1      PHE   8  15.625  -5.765  -3.582
   73    HE2  PHE   8           HE2      PHE   8  15.642  -7.697   0.255
   74    HZ   PHE   8           HZ       PHE   8  16.033  -7.779  -2.193
   75    H    LEU   9           HN       LEU   9  12.547  -1.273   1.828
   76    HA   LEU   9           HA       LEU   9  12.378  -2.823   4.342
   77    HB2  LEU   9           HB2      LEU   9  12.308   0.164   3.809
   78    HB3  LEU   9           HB1      LEU   9  12.669  -0.626   5.341
   79    HG   LEU   9           HG       LEU   9  14.308  -0.918   2.811
   80   HD11  LEU   9          HD11      LEU   9  15.416   0.939   3.438
   81   HD12  LEU   9          HD12      LEU   9  15.694   0.259   5.042
   82   HD13  LEU   9          HD13      LEU   9  14.227   1.184   4.718
   83   HD21  LEU   9          HD21      LEU   9  14.342  -2.186   5.510
   84   HD22  LEU   9          HD22      LEU   9  15.903  -1.766   4.803
   85   HD23  LEU   9          HD23      LEU   9  14.813  -2.857   3.948
   86    H    GLY  10           HN       GLY  10  10.455  -0.363   2.591
   87    HA2  GLY  10           HA2      GLY  10   8.227  -0.245   4.288
   88    HA3  GLY  10           HA1      GLY  10   8.124  -0.036   2.540
   89    H    ARG  11           HN       ARG  11   9.236  -2.819   2.163
   90    HA   ARG  11           HA       ARG  11   6.705  -4.218   2.053
   91    HB2  ARG  11           HB2      ARG  11   7.921  -5.705   0.785
   92    HB3  ARG  11           HB1      ARG  11   8.983  -4.303   0.685
   93    HG2  ARG  11           HG2      ARG  11  10.239  -5.176   2.660
   94    HG3  ARG  11           HG1      ARG  11   9.240  -6.631   2.605
   95    HD2  ARG  11           HD2      ARG  11  10.181  -6.136  -0.037
   96    HD3  ARG  11           HD1      ARG  11  11.578  -6.047   1.056
   97    HE   ARG  11           HE       ARG  11   9.968  -8.431   0.526
   98   HH11  ARG  11          HH11      ARG  11  10.557 -10.299   1.629
   99   HH12  ARG  11          HH12      ARG  11  11.615 -10.192   2.997
  100   HH21  ARG  11          HH21      ARG  11  11.951  -6.751   2.834
  101   HH22  ARG  11          HH22      ARG  11  12.396  -8.197   3.671
  102    H    ILE  12           HN       ILE  12   9.221  -3.956   4.438
  103    HA   ILE  12           HA       ILE  12   8.166  -6.335   5.919
  104    HB   ILE  12           HB       ILE  12  10.543  -4.792   6.841
  105   HG12  ILE  12          HG12      ILE  12  10.451  -6.333   4.243
  106   HG13  ILE  12          HG11      ILE  12  11.002  -4.677   4.492
  107   HG21  ILE  12          HG21      ILE  12  11.337  -6.948   7.440
  108   HG22  ILE  12          HG22      ILE  12  10.248  -7.749   6.307
  109   HG23  ILE  12          HG23      ILE  12   9.605  -7.001   7.768
  110   HD11  ILE  12          HD11      ILE  12  12.787  -5.643   6.036
  111   HD12  ILE  12          HD12      ILE  12  12.981  -6.012   4.322
  112   HD13  ILE  12          HD13      ILE  12  12.331  -7.231   5.419
  113    H    LEU  13           HN       LEU  13   8.598  -2.852   6.038
  114    HA   LEU  13           HA       LEU  13   7.876  -2.551   8.834
  115    HB2  LEU  13           HB2      LEU  13   8.420  -0.873   6.409
  116    HB3  LEU  13           HB1      LEU  13   7.761  -0.123   7.847
  117    HG   LEU  13           HG       LEU  13   9.721  -1.571   8.980
  118   HD11  LEU  13          HD11      LEU  13  10.482  -2.512   6.841
  119   HD12  LEU  13          HD12      LEU  13  11.725  -1.458   7.519
  120   HD13  LEU  13          HD13      LEU  13  10.709  -0.885   6.197
  121   HD21  LEU  13          HD21      LEU  13  10.649   0.468   9.425
  122   HD22  LEU  13          HD22      LEU  13   9.211   1.076   8.608
  123   HD23  LEU  13          HD23      LEU  13  10.725   0.913   7.720
  Start of MODEL   20
    1    H1   PHE   1           HT1      PHE   1  12.845  12.167   0.696
    2    H2   PHE   1           HT2      PHE   1  13.213  10.718   1.505
    3    H3   PHE   1           HT3      PHE   1  11.821  11.599   1.923
    4    HA   PHE   1           HA       PHE   1  10.764  10.146   0.575
    5    HB2  PHE   1           HB2      PHE   1  12.151  12.177  -1.184
    6    HB3  PHE   1           HB1      PHE   1  10.943  11.065  -1.830
    7    HD1  PHE   1           HD1      PHE   1   8.599  11.155  -1.050
    8    HD2  PHE   1           HD2      PHE   1  11.536  13.977   0.316
    9    HE1  PHE   1           HE1      PHE   1   6.791  12.622  -0.194
   10    HE2  PHE   1           HE2      PHE   1   9.728  15.443   1.172
   11    HZ   PHE   1           HZ       PHE   1   7.356  14.766   0.918
   12    H    VAL   2           HN       VAL   2  11.355   8.024   0.308
   13    HA   VAL   2           HA       VAL   2  13.647   7.431  -1.529
   14    HB   VAL   2           HB       VAL   2  13.534   5.428   0.457
   15   HG11  VAL   2          HG11      VAL   2  15.369   7.828   0.175
   16   HG12  VAL   2          HG12      VAL   2  15.556   6.285  -0.656
   17   HG13  VAL   2          HG13      VAL   2  15.733   6.368   1.095
   18   HG21  VAL   2          HG21      VAL   2  13.699   6.701   2.543
   19   HG22  VAL   2          HG22      VAL   2  12.137   7.005   1.783
   20   HG23  VAL   2          HG23      VAL   2  13.422   8.208   1.668
   21    H    GLN   3           HN       GLN   3  12.759   6.303  -3.217
   22    HA   GLN   3           HA       GLN   3  10.377   4.575  -2.711
   23    HB2  GLN   3           HB2      GLN   3   9.922   4.898  -5.021
   24    HB3  GLN   3           HB1      GLN   3  10.545   6.457  -4.481
   25    HG2  GLN   3           HG2      GLN   3  12.848   5.651  -5.218
   26    HG3  GLN   3           HG1      GLN   3  12.030   4.294  -5.992
   27   HE21  GLN   3          HE21      GLN   3  12.522   7.797  -6.135
   28   HE22  GLN   3          HE22      GLN   3  11.808   8.014  -7.660
   29    H    TRP   4           HN       TRP   4  13.712   4.526  -3.864
   30    HA   TRP   4           HA       TRP   4  13.620   1.738  -4.749
   31    HB2  TRP   4           HB2      TRP   4  15.411   4.038  -4.739
   32    HB3  TRP   4           HB1      TRP   4  16.270   2.553  -4.331
   33    HD1  TRP   4           HD1      TRP   4  14.901   0.442  -6.071
   34    HE1  TRP   4           HE1      TRP   4  15.032   0.514  -8.644
   35    HE3  TRP   4           HE3      TRP   4  16.003   5.380  -6.757
   36    HZ2  TRP   4           HZ2      TRP   4  15.538   2.417 -10.720
   37    HZ3  TRP   4           HZ3      TRP   4  16.304   6.296  -9.040
   38    HH2  TRP   4           HH2      TRP   4  16.073   4.822 -11.021
   39    H    PHE   5           HN       PHE   5  14.487   3.490  -1.814
   40    HA   PHE   5           HA       PHE   5  15.683   1.116  -0.539
   41    HB2  PHE   5           HB2      PHE   5  16.309   3.620  -0.292
   42    HB3  PHE   5           HB1      PHE   5  14.894   3.730   0.754
   43    HD1  PHE   5           HD1      PHE   5  15.270   3.454   3.030
   44    HD2  PHE   5           HD2      PHE   5  17.811   1.414   0.232
   45    HE1  PHE   5           HE1      PHE   5  16.587   2.513   4.911
   46    HE2  PHE   5           HE2      PHE   5  19.126   0.472   2.111
   47    HZ   PHE   5           HZ       PHE   5  18.514   1.022   4.451
   48    H    SER   6           HN       SER   6  12.613   2.852  -0.569
   49    HA   SER   6           HA       SER   6  11.482   1.620   1.790
   50    HB2  SER   6           HB2      SER   6   9.424   2.604   0.928
   51    HB3  SER   6           HB1      SER   6  10.746   3.735   0.644
   52    HG   SER   6           HG       SER   6   9.389   3.401  -1.199
   53    H    LYS   7           HN       LYS   7  11.878   0.617  -1.529
   54    HA   LYS   7           HA       LYS   7   9.824  -1.345  -1.749
   55    HB2  LYS   7           HB2      LYS   7  12.604  -1.029  -2.899
   56    HB3  LYS   7           HB1      LYS   7  11.501  -2.298  -3.432
   57    HG2  LYS   7           HG2      LYS   7  10.264   0.368  -3.338
   58    HG3  LYS   7           HG1      LYS   7  11.603   0.256  -4.480
   59    HD2  LYS   7           HD2      LYS   7  10.037  -2.122  -4.725
   60    HD3  LYS   7           HD1      LYS   7   8.940  -0.743  -4.778
   61    HE2  LYS   7           HE2      LYS   7   9.955   0.153  -6.697
   62    HE3  LYS   7           HE1      LYS   7  11.485  -0.696  -6.399
   63    HZ1  LYS   7           HZ1      LYS   7  10.391  -1.929  -8.072
   64    HZ2  LYS   7           HZ2      LYS   7   8.891  -1.843  -7.277
   65    HZ3  LYS   7           HZ3      LYS   7  10.137  -2.808  -6.642
   66    H    PHE   8           HN       PHE   8  12.809  -1.329   0.050
   67    HA   PHE   8           HA       PHE   8  12.529  -4.261   0.612
   68    HB2  PHE   8           HB2      PHE   8  14.674  -2.505  -0.119
   69    HB3  PHE   8           HB1      PHE   8  14.991  -3.123   1.497
   70    HD1  PHE   8           HD1      PHE   8  15.391  -3.802  -1.924
   71    HD2  PHE   8           HD2      PHE   8  14.423  -5.736   1.788
   72    HE1  PHE   8           HE1      PHE   8  16.065  -5.985  -2.887
   73    HE2  PHE   8           HE2      PHE   8  15.097  -7.920   0.825
   74    HZ   PHE   8           HZ       PHE   8  15.918  -8.045  -1.512
   75    H    LEU   9           HN       LEU   9  12.600  -1.033   1.922
   76    HA   LEU   9           HA       LEU   9  12.783  -1.917   4.723
   77    HB2  LEU   9           HB2      LEU   9  13.947   0.045   4.308
   78    HB3  LEU   9           HB1      LEU   9  12.840   0.563   3.057
   79    HG   LEU   9           HG       LEU   9  11.170   1.116   4.717
   80   HD11  LEU   9          HD11      LEU   9  13.237   0.354   6.796
   81   HD12  LEU   9          HD12      LEU   9  11.874  -0.672   6.351
   82   HD13  LEU   9          HD13      LEU   9  11.587   0.899   7.098
   83   HD21  LEU   9          HD21      LEU   9  13.223   2.549   6.101
   84   HD22  LEU   9          HD22      LEU   9  12.154   3.134   4.825
   85   HD23  LEU   9          HD23      LEU   9  13.697   2.386   4.410
   86    H    GLY  10           HN       GLY  10  10.566  -0.003   2.692
   87    HA2  GLY  10           HA2      GLY  10   8.396  -0.027   4.580
   88    HA3  GLY  10           HA1      GLY  10   8.236   0.334   2.861
   89    H    ARG  11           HN       ARG  11   9.519  -2.305   2.201
   90    HA   ARG  11           HA       ARG  11   7.144  -3.886   1.904
   91    HB2  ARG  11           HB2      ARG  11   8.559  -4.830   0.430
   92    HB3  ARG  11           HB1      ARG  11   9.851  -3.812   1.059
   93    HG2  ARG  11           HG2      ARG  11  10.389  -5.480   2.755
   94    HG3  ARG  11           HG1      ARG  11   9.034  -6.482   2.233
   95    HD2  ARG  11           HD2      ARG  11  10.259  -6.211  -0.136
   96    HD3  ARG  11           HD1      ARG  11  11.675  -6.042   0.918
   97    HE   ARG  11           HE       ARG  11  10.314  -8.190   2.007
   98   HH11  ARG  11          HH11      ARG  11  10.662 -10.330   1.404
   99   HH12  ARG  11          HH12      ARG  11  11.267 -10.689  -0.178
  100   HH21  ARG  11          HH21      ARG  11  11.444  -7.378  -1.177
  101   HH22  ARG  11          HH22      ARG  11  11.707  -9.028  -1.627
  102    H    ILE  12           HN       ILE  12   9.410  -3.532   4.504
  103    HA   ILE  12           HA       ILE  12   8.680  -6.125   5.752
  104    HB   ILE  12           HB       ILE  12  10.318  -3.964   7.048
  105   HG12  ILE  12          HG12      ILE  12  11.048  -5.516   4.576
  106   HG13  ILE  12          HG11      ILE  12  11.284  -3.803   4.910
  107   HG21  ILE  12          HG21      ILE  12   9.747  -6.408   7.882
  108   HG22  ILE  12          HG22      ILE  12  11.365  -5.745   8.116
  109   HG23  ILE  12          HG23      ILE  12  11.052  -6.860   6.786
  110   HD11  ILE  12          HD11      ILE  12  12.762  -6.133   6.159
  111   HD12  ILE  12          HD12      ILE  12  12.884  -4.474   6.746
  112   HD13  ILE  12          HD13      ILE  12  13.435  -4.876   5.119
  113    H    LEU  13           HN       LEU  13   8.078  -2.679   6.024
  114    HA   LEU  13           HA       LEU  13   6.703  -2.855   8.593
  115    HB2  LEU  13           HB2      LEU  13   7.382  -0.823   6.489
  116    HB3  LEU  13           HB1      LEU  13   6.288  -0.407   7.789
  117    HG   LEU  13           HG       LEU  13   8.235  -1.555   9.233
  118   HD11  LEU  13          HD11      LEU  13   9.644  -0.342   6.838
  119   HD12  LEU  13          HD12      LEU  13   9.580  -2.063   7.217
  120   HD13  LEU  13          HD13      LEU  13  10.427  -0.954   8.295
  121   HD21  LEU  13          HD21      LEU  13   9.004   1.176   8.478
  122   HD22  LEU  13          HD22      LEU  13   8.486   0.550  10.043
  123   HD23  LEU  13          HD23      LEU  13   7.284   1.008   8.836