*HEADER    TOXIN                                   22-JUN-18   6DUU              
*TITLE     THREE-DIMENSIONAL STRUCTURES FOR MASTOPARANO-MO                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MASTOPARANO-MO;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   3 ORGANISM_TAXID: 32630;                                               
*SOURCE   4 EXPRESSION_SYSTEM: SYNTHETIC CONSTRUCT;                              
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 32630                                       
*KEYWDS    SDS MICELLES, PAM, TOXIN                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    E.S.F.ALVES,L.V.RODRIGUES,L.M.LIAO                                    
*REVDAT   1   26-JUN-19 6DUU    0                                                
# Restraints file 1: mastoparano_8.tbl
!a.a1
!assign (resid 1 and name HE1) (resid 1 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.70
assign (resid 1 and name HE1) (resid 1 and name HB1)  5.00 3.20 0.0 ! 	 noesy_15.72
assign (resid 1 and name HE1) (resid 2 and name HD2#)  5.00 3.20 0.0 ! 	 noesy_15.97
assign (resid 1 and name HE2) (resid 2 and name HD2#)  5.00 3.20 0.0 ! 	 noesy_15.98
!assign (resid 1 and name HT#) (resid 3 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.131
assign (resid 1 and name HA) (resid 2 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.132
assign (resid 1 and name HB1) (resid 1 and name HE1)  5.00 3.20 0.0 ! 	 noesy_15.150
assign (resid 1 and name HB2) (resid 2 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.151
assign (resid 1 and name HB1) (resid 1 and name HA)  3.40 1.60 0.0 ! 	 noesy_15.198
assign (resid 1 and name HB2) (resid 2 and name HD2#)  5.00 3.20 0.0 ! 	 noesy_15.272
!talvezvoltarassign (resid 1 and name HB2) (resid 2 and name HG)  5.00 3.20 0.0 ! 	 noesy_15.273
!assign (resid 1 and name HB2) (resid 3 and name HG2)  5.00 3.20 0.0 ! 	 noesy_15.274
!a.a2
assign (resid 2 and name HN) (resid 2 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.50
assign (resid 2 and name HN) (resid 1 and name HA)  3.40 1.60 0.0 ! 	 noesy_15.51
assign (resid 2 and name HN) (resid 1 and name HB2)  5.00 3.20 0.0 ! 	 noesy_15.73
assign (resid 2 and name HB2) (resid 1 and name HT#)  5.00 3.20 0.0 ! 	 noesy_15.171
!ARRUMARassign (resid 2 and name HB2) (resid 9 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.185
assign (resid 2 and name HB1) (resid 2 and name HA)  3.40 1.60 0.0 ! 	 noesy_15.204
assign (resid 2 and name HB2) (resid 2 and name HD2#)  5.00 3.20 0.0 ! 	 noesy_15.228
assign (resid 2 and name HB2) (resid 3 and name HD2)  5.00 3.20 0.0 ! 	 noesy_15.254
assign (resid 2 and name HD2#) (resid 3 and name HD2)  5.00 3.20 0.0 ! 	 noesy_15.255
assign (resid 2 and name HD2#) (resid 1 and name HB2)  5.00 3.20 0.0 ! 	 noesy_15.259
!a.a3
assign (resid 3 and name HB2) (resid 4 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.157
assign (resid 3 and name HG2) (resid 4 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.164
assign (resid 3 and name HD2) (resid 2 and name HA)  2.80 1.00 0.0 ! 	 noesy_15.197
assign (resid 3 and name HD2) (resid 2 and name HB1)  5.00 3.20 0.0 ! 	 noesy_15.233
assign (resid 3 and name HD2) (resid 2 and name HD2#)  5.00 3.20 0.0 ! 	 noesy_15.234
!a.a4
assign (resid 4 and name HN) (resid 5 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.22
!!assign (resid 4 and name HN) (resid 2 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.40
assign (resid 4 and name HN) (resid 3 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.58
assign (resid 4 and name HN) (resid 4 and name HD1#)  5.00 3.20 0.0 ! 	 noesy_15.106
!!assign (resid 4 and name HN) (resid 2 and name HB1)  5.00 3.20 0.0 ! 	 noesy_15.113
assign (resid 4 and name HN) (resid 4 and name HB)  3.40 1.60 0.0 ! 	 noesy_15.114
assign (resid 4 and name HN) (resid 3 and name HG2)  5.00 3.20 0.0 ! 	 noesy_15.115
assign (resid 4 and name HG2#) (resid 4 and name HA)  2.80 1.00 0.0 ! 	 noesy_15.223
assign (resid 4 and name HA) (resid 4 and name HG2#)  2.80 1.00 0.0 ! 	 noesy_15.237
assign (resid 4 and name HD1#) (resid 3 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.258
assign (resid 4 and name HD1#) (resid 4 and name HA)  2.80 1.00 0.0 ! 	 noesy_15.256
!a.a5
assign (resid 5 and name HN) (resid 5 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.42
assign (resid 5 and name HN) (resid 4 and name HA)  3.40 1.60 0.0 ! 	 noesy_15.57
assign (resid 5 and name HN) (resid 5 and name HD1#)  3.40 1.60 0.0 ! 	 noesy_15.107
assign (resid 5 and name HN) (resid 5 and name HB)  3.40 1.60 0.0 ! 	 noesy_15.119
assign (resid 5 and name HB) (resid 5 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.163
assign (resid 5 and name HD1#) (resid 5 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.186
assign (resid 5 and name HB) (resid 5 and name HA)  3.40 1.60 0.0 ! 	 noesy_15.211
assign (resid 5 and name HG2#) (resid 5 and name HA)  2.80 1.00 0.0 ! 	 noesy_15.221
assign (resid 5 and name HB) (resid 6 and name HD1#)  2.80 1.00 0.0 ! 	 noesy_15.270
!a.a6
assign (resid 6 and name HN) (resid 6 and name HA)  2.80 1.00 0.0 ! 	 noesy_15.41
assign (resid 6 and name HN) (resid 7 and name HB2)  5.00 3.20 0.0 ! 	 noesy_15.74
assign (resid 6 and name HN) (resid 6 and name HD1#)  2.80 1.00 0.0 ! 	 noesy_15.108
assign (resid 6 and name HN) (resid 5 and name HB)  5.00 3.20 0.0 ! 	 noesy_15.120
assign (resid 6 and name HN) (resid 6 and name HB)  3.40 1.60 0.0 ! 	 noesy_15.121
assign (resid 6 and name HA) (resid 6 and name HN)  2.80 1.00 0.0 ! 	 noesy_15.135
assign (resid 6 and name HA) (resid 7 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.136
assign (resid 6 and name HB) (resid 7 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.173
assign (resid 6 and name HD1#) (resid 7 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.187
assign (resid 6 and name HA) (resid 6 and name HD1#)  3.40 1.60 0.0 ! 	 noesy_15.235
assign (resid 6 and name HA) (resid 5 and name HB)  5.00 3.20 0.0 ! 	 noesy_15.245
assign (resid 6 and name HG11) (resid 5 and name HB)  5.00 3.20 0.0 ! 	 noesy_15.267
assign (resid 6 and name HD1#) (resid 5 and name HB)  2.80 1.00 0.0 ! 	 noesy_15.268
!a.a7
assign (resid 7 and name HN) (resid 8 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.7
assign (resid 7 and name HN) (resid 6 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.23
assign (resid 7 and name HN) (resid 7 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.52
assign (resid 7 and name HN) (resid 6 and name HA)  3.40 1.60 0.0 ! 	 noesy_15.53
assign (resid 7 and name HD21) (resid 7 and name HB2)  5.00 3.20 0.0 ! 	 noesy_15.61
assign (resid 7 and name HD2#) (resid 7 and name HB2)  5.00 3.20 0.0 ! 	 noesy_15.62
!assign (resid 7 and name HD2#) (resid 10 and name HB#)  5.00 3.20 0.0 ! 	 noesy_15.65
!assign (resid 7 and name HD21) (resid 10 and name HB#)  5.00 3.20 0.0 ! 	 noesy_15.66
!assign (resid 7 and name HD2#) (resid 6 and name HD1#)  5.00 3.20 0.0 ! 	 noesy_15.67
assign (resid 7 and name HD21) (resid 8 and name HD1#)  5.00 3.20 0.0 ! 	 noesy_15.68
assign (resid 7 and name HN) (resid 7 and name HB2)  3.40 1.60 0.0 ! 	 noesy_15.75
!assign (resid 7 and name HD2#) (resid 4 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.99
!assign (resid 7 and name HD21) (resid 4 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.100
!assign (resid 7 and name HD2#) (resid 5 and name HB)  5.00 3.20 0.0 ! 	 noesy_15.101
!assign (resid 7 and name HD21) (resid 5 and name HB)  5.00 3.20 0.0 ! 	 noesy_15.102
!!assign (resid 7 and name HN) (resid 8 and name HD1#)  5.00 3.20 0.0 ! 	 noesy_15.104
assign (resid 7 and name HN) (resid 6 and name HB)  3.40 1.60 0.0 ! 	 noesy_15.118
assign (resid 7 and name HB2) (resid 7 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.152
assign (resid 7 and name HB2) (resid 7 and name HD21)  5.00 3.20 0.0 ! 	 noesy_15.154
assign (resid 7 and name HB2) (resid 6 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.155
assign (resid 7 and name HB2) (resid 8 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.156
assign (resid 7 and name HB2) (resid 7 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.199
!reverassign (resid 7 and name HB2) (resid 10 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.205
!assign (resid 7 and name HB2) (resid 6 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.208
assign (resid 7 and name HB2) (resid 8 and name HB2)  5.00 3.20 0.0 ! 	 noesy_15.22
assign (resid 7 and name HB2) (resid 7 and name HD2#)  5.00 3.20 0.0 ! 	 noesy_15.251
!reverassign (resid 7 and name HB2) (resid 10 and name HB#)  5.00 3.20 0.0 ! 	 noesy_15.269
assign (resid 7 and name HB2) (resid 8 and name HD1#)  5.00 3.20 0.0 ! 	 noesy_15.277
!a.a8
assign (resid 8 and name HN) (resid 7 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.6
assign (resid 8 and name HN) (resid 9 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.8
assign (resid 8 and name HN) (resid 8 and name HA)  3.40 1.60 0.0 ! 	 noesy_15.25
assign (resid 8 and name HN) (resid 7 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.27
assign (resid 8 and name HN) (resid 8 and name HB2)  2.80 1.00 0.0 ! 	 noesy_15.56
assign (resid 8 and name HN) (resid 7 and name HB2)  5.00 3.20 0.0 ! 	 noesy_15.77
assign (resid 8 and name HN) (resid 8 and name HD1#)  3.40 1.60 0.0 ! 	 noesy_15.78
assign (resid 8 and name HA) (resid 9 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.145
assign (resid 8 and name HA) (resid 8 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.146
assign (resid 8 and name HB2) (resid 9 and name HN)  2.80 1.00 0.0 ! 	 noesy_15.177
assign (resid 8 and name HD2#) (resid 9 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.188
assign (resid 8 and name HD1#) (resid 9 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.189
assign (resid 8 and name HD1#) (resid 8 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.190
assign (resid 8 and name HA) (resid 8 and name HD1#)  3.40 1.60 0.0 ! 	 noesy_15.236
!assign (resid 8 and name HA) (resid 9 and name HD2)  5.00 3.20 0.0 ! 	 noesy_15.246
assign (resid 8 and name HD1#) (resid 9 and name HE2)  5.00 3.20 0.0 ! 	 noesy_15.261
assign (resid 8 and name HD2#) (resid 9 and name HE2)  5.00 3.20 0.0 ! 	 noesy_15.262
assign (resid 8 and name HB2) (resid 7 and name HB2)  5.00 3.20 0.0 ! 	 noesy_15.264
!a.a9
assign (resid 9 and name HN) (resid 8 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.9
assign (resid 9 and name HN) (resid 10 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.10
assign (resid 9 and name HN) (resid 9 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.30
assign (resid 9 and name HN) (resid 8 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.31
!reverassign (resid 9 and name HN) (resid 7 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.32
!assign (resid 9 and name HN) (resid 7 and name HB2)  5.00 3.20 0.0 ! 	 noesy_15.76
assign (resid 9 and name HN) (resid 8 and name HD2#)  5.00 3.20 0.0 ! 	 noesy_15.79
assign (resid 9 and name HN) (resid 8 and name HG)  5.00 3.20 0.0 ! 	 noesy_15.80
assign (resid 9 and name HN) (resid 9 and name HD2)  5.00 3.20 0.0 ! 	 noesy_15.81
assign (resid 9 and name HN) (resid 9 and name HB2)  2.80 1.00 0.0 ! 	 noesy_15.82
assign (resid 9 and name HN) (resid 10 and name HB#)  5.00 3.20 0.0 ! 	 noesy_15.103
assign (resid 9 and name HA) (resid 9 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.138
!assign (resid 9 and name HE2) (resid 7 and name HD21)  3.40 1.60 0.0 ! 	 noesy_15.153
!assign (resid 9 and name HD2) (resid 7 and name HD21)  3.40 1.60 0.0 ! 	 noesy_15.161
assign (resid 9 and name HB2) (resid 10 and name HN)  2.80 1.00 0.0 ! 	 noesy_15.175
assign (resid 9 and name HD2) (resid 9 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.181
assign (resid 9 and name HB2) (resid 9 and name HA)  3.40 1.60 0.0 ! 	 noesy_15.212
assign (resid 9 and name HE2) (resid 8 and name HB2)  5.00 3.20 0.0 ! 	 noesy_15.227
assign (resid 9 and name HE2) (resid 8 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.252
assign (resid 9 and name HB2) (resid 9 and name HE2)  5.00 3.20 0.0 ! 	 noesy_15.265
assign (resid 9 and name HE2) (resid 8 and name HD2#)  5.00 3.20 0.0 ! 	 noesy_15.276
assign (resid 9 and name HE2) (resid 8 and name HD1#)  5.00 3.20 0.0 ! 	 noesy_15.279
!a.a10
assign (resid 10 and name HN) (resid 9 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.11
assign (resid 10 and name HN) (resid 11 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.13
assign (resid 10 and name HN) (resid 10 and name HA)  2.80 1.00 0.0 ! 	 noesy_15.44
assign (resid 10 and name HN) (resid 7 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.45
assign (resid 10 and name HN) (resid 10 and name HB#)  2.80 1.00 0.0 ! 	 noesy_15.126
assign (resid 10 and name HA) (resid 10 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.142
assign (resid 10 and name HA) (resid 11 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.149
assign (resid 10 and name HB#) (resid 11 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.168
assign (resid 10 and name HB#) (resid 9 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.182
!assign (resid 10 and name HB#) (resid 7 and name HB2)  5.00 3.20 0.0 ! 	 noesy_15.263
!a.a11
assign (resid 11 and name HN) (resid 10 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.12
assign (resid 11 and name HN) (resid 12 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.21
assign (resid 11 and name HN) (resid 11 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.35
assign (resid 11 and name HN) (resid 10 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.38
assign (resid 11 and name HN) (resid 9 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.39
!colocar o oposto pico 284
!assign (resid 9 and name HA) (resid 11 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.284
assign (resid 11 and name HN) (resid 11 and name HB2)  2.80 1.00 0.0 ! 	 noesy_15.88
assign (resid 11 and name HA) (resid 11 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.143
!!assign (resid 11 and name HA) (resid 11 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.144
assign (resid 11 and name HB2) (resid 11 and name HN)  2.80 1.00 0.0 ! 	 noesy_15.166
!a.a12
assign (resid 12 and name HN) (resid 13 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.19
assign (resid 12 and name HN) (resid 11 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.20
assign (resid 12 and name HN) (resid 12 and name HA)  3.40 1.60 0.0 ! 	 noesy_15.28
assign (resid 12 and name HN) (resid 11 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.29
assign (resid 12 and name HN) (resid 10 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.33
assign (resid 12 and name HN) (resid 12 and name HB#)  2.80 1.00 0.0 ! 	 noesy_15.55
!assign (resid 12 and name HN) (resid 9 and name HB2)  5.00 3.20 0.0 ! 	 noesy_15.83
!assign (resid 12 and name HN) (resid 9 and name HD2)  5.00 3.20 0.0 ! 	 noesy_15.84
!assign (resid 12 and name HN) (resid 14 and name HD2#)  5.00 3.20 0.0 ! 	 noesy_15.105
assign (resid 12 and name HN) (resid 11 and name HB2)  5.00 3.20 0.0 ! 	 noesy_15.112
assign (resid 12 and name HA) (resid 12 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.139
assign (resid 12 and name HB#) (resid 13 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.170
assign (resid 12 and name HB#) (resid 12 and name HN)  2.80 1.00 0.0 ! 	 noesy_15.184
assign (resid 12 and name HA) (resid 15 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.281
!a.a13
assign (resid 13 and name HN) (resid 12 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.18
assign (resid 13 and name HN) (resid 13 and name HA)  3.40 1.60 0.0 ! 	 noesy_15.43
assign (resid 13 and name HN) (resid 12 and name HB#)  3.40 1.60 0.0 ! 	 noesy_15.111
assign (resid 13 and name HA) (resid 13 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.148
!reverassign (resid 13 and name HA) (resid 14 and name HB2)  5.00 3.20 0.0 ! 	 noesy_15.250
!250 talvez tirar
!a.a14
assign (resid 14 and name HN) (resid 15 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.1
assign (resid 14 and name HA) (resid 14 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.141
assign (resid 14 and name HA) (resid 15 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.147
!assign (resid 14 and name HB2) (resid 13 and name HN)  5.00 3.20  0.0 ! 	 noesy_15.174
assign (resid 14 and name HB2) (resid 15 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.179
assign (resid 14 and name HD2#) (resid 15 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.191
assign (resid 14 and name HD1#) (resid 15 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.192
assign (resid 14 and name HD1#) (resid 14 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.194
assign (resid 14 and name HB2) (resid 14 and name HA)  2.80 1.00 0.0 ! 	 noesy_15.219
assign (resid 14 and name HB2) (resid 14 and name HD2#)  5.00 3.20 0.0 ! 	 noesy_15.230
assign (resid 14 and name HA) (resid 13 and name HB#)  5.00 3.20 0.0 ! 	 noesy_15.239
assign (resid 14 and name HA) (resid 14 and name HB2)  2.80 1.00 0.0 ! 	 noesy_15.248
!a.a15
assign (resid 15 and name HN) (resid 14 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.0
assign (resid 15 and name HN) (resid 16 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.3
assign (resid 15 and name HN) (resid 15 and name HA)  3.40 1.60 0.0 ! 	 noesy_15.24
assign (resid 15 and name HN) (resid 14 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.26
assign (resid 15 and name HN) (resid 15 and name HB#)  3.40 1.60 0.0 ! 	 noesy_15.54
assign (resid 15 and name HN) (resid 12 and name HA)  3.40 1.60 0.0 ! 	 noesy_15.59
assign (resid 15 and name HA) (resid 16 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.137
assign (resid 15 and name HB#) (resid 16 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.169
assign (resid 15 and name HA) (resid 15 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.140
assign (resid 15 and name HB#) (resid 15 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.183
assign (resid 15 and name HB#) (resid 16 and name HE2)  3.40 1.60 0.0 ! 	 noesy_15.224
assign (resid 15 and name HA) (resid 16 and name HD2)  5.00 3.20 0.0 ! 	 noesy_15.242
assign (resid 15 and name HB#) (resid 14 and name HD2#)  5.00 3.20 0.0 ! 	 noesy_15.271
assign (resid 15 and name HA) (resid 18 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.24
!a.a16
assign (resid 16 and name HN) (resid 15 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.2
assign (resid 16 and name HN) (resid 17 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.5
assign (resid 16 and name HN) (resid 16 and name HA)  3.40 1.60 0.0 ! 	 noesy_15.34
assign (resid 16 and name HN) (resid 15 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.60
!assign (resid 16 and name HN) (resid 14 and name HD2#)  5.00 3.20 0.0 ! 	 noesy_15.85
assign (resid 16 and name HN) (resid 15 and name HB#)  5.00 3.20 0.0 ! 	 noesy_15.86
assign (resid 16 and name HN) (resid 16 and name HD2)  3.40 1.60 0.0 ! 	 noesy_15.87
assign (resid 16 and name HA) (resid 17 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.134
assign (resid 16 and name HB#) (resid 16 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.165
assign (resid 16 and name HD2) (resid 16 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.167
assign (resid 16 and name HE2) (resid 15 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.207
assign (resid 16 and name HE2) (resid 15 and name HB#)  3.40 1.60 0.0 ! 	 noesy_15.231
assign (resid 16 and name HE2) (resid 16 and name HD2)  2.80 1.00 0.0 ! 	 noesy_15.232
assign (resid 16 and name HA) (resid 16 and name HB2)  3.40 1.60 0.0 ! 	 noesy_15.243
assign (resid 16 and name HD2) (resid 16 and name HE2)  3.40 1.60 0.0 ! 	 noesy_15.266
!a.a17
assign (resid 17 and name HN) (resid 16 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.4
assign (resid 17 and name HN) (resid 18 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.15
assign (resid 17 and name HN) (resid 17 and name HA)  3.40 1.60 0.0 ! 	 noesy_15.48
assign (resid 17 and name HN) (resid 16 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.49
assign (resid 17 and name HN) (resid 17 and name HG2)  5.00 3.20 0.0 ! 	 noesy_15.89
assign (resid 17 and name HN) (resid 17 and name HD2)  5.00 3.20 0.0 ! 	 noesy_15.90
!!reverassign (resid 17 and name HN) (resid 18 and name HB)  5.00 3.20 0.0 ! 	 noesy_15.91
assign (resid 17 and name HN) (resid 17 and name HB2)  3.40 1.60 0.0 ! 	 noesy_15.92
assign (resid 17 and name HN) (resid 18 and name HG2#)  5.00 3.20 0.0 ! 	 noesy_15.93
assign (resid 17 and name HN) (resid 18 and name HD1#)  5.00 3.20 0.0 ! 	 noesy_15.95
assign (resid 17 and name HA) (resid 17 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.133
assign (resid 17 and name HB2) (resid 17 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.158
assign (resid 17 and name HD2) (resid 17 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.160
assign (resid 17 and name HB2) (resid 18 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.162
assign (resid 17 and name HE2) (resid 17 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.206
!assign (resid 17 and name HD2) (resid 16 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.213
assign (resid 17 and name HB2) (resid 17 and name HA)  3.40 1.60 0.0 ! 	 noesy_15.220
assign (resid 17 and name HA) (resid 17 and name HB2)  3.40 1.60 0.0 ! 	 noesy_15.249
assign (resid 17 and name HE2) (resid 18 and name HD1#)  5.00 3.20 0.0 ! 	 noesy_15.278
!a.a18
assign (resid 18 and name HN) (resid 17 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.14
assign (resid 18 and name HN) (resid 19 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.17
assign (resid 18 and name HN) (resid 18 and name HA)  3.40 1.60 0.0 ! 	 noesy_15.46
assign (resid 18 and name HN) (resid 15 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.47
assign (resid 18 and name HN) (resid 18 and name HG2#)  5.00 3.20 0.0 ! 	 noesy_15.109
assign (resid 18 and name HN) (resid 18 and name HD1#)  5.00 3.20 0.0 ! 	 noesy_15.110
!assign (resid 18 and name HN) (resid 16 and name HB2)  5.00 3.20 0.0 ! 	 noesy_15.122
assign (resid 18 and name HN) (resid 17 and name HB2)  5.00 3.20 0.0 ! 	 noesy_15.123
assign (resid 18 and name HN) (resid 19 and name HB2)  5.00 3.20 0.0 ! 	 noesy_15.124
assign (resid 18 and name HN) (resid 18 and name HG12)  5.00 3.20 0.0 ! 	 noesy_15.125
assign (resid 18 and name HN) (resid 18 and name HG11)  5.00 3.20 0.0 ! 	 noesy_15.127
!assign (resid 18 and name HN) (resid 15 and name HB#)  5.00 3.20 0.0 ! 	 noesy_15.128
assign (resid 18 and name HB) (resid 18 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.159
assign (resid 18 and name HG11) (resid 18 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.176
assign (resid 18 and name HG2#) (resid 18 and name HN)  5.00 3.20 0.0 ! 	 noesy_15.193
!assign (resid 18 and name HG2#) (resid 16 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.195
assign (resid 18 and name HA) (resid 18 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.196
assign (resid 18 and name HG2#) (resid 18 and name HA)  3.40 1.60 0.0 ! 	 noesy_15.222
assign (resid 18 and name HA) (resid 19 and name HB2)  5.00 3.20 0.0 ! 	 noesy_15.247
!!assign (resid 18 and name HG2#) (resid 17 and name HE2)  5.00 3.20 0.0 ! 	 noesy_15.260
!a.a19
assign (resid 19 and name HN) (resid 18 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.16
assign (resid 19 and name HN) (resid 19 and name HB2)  3.40 1.60 0.0 ! 	 noesy_15.116
assign (resid 19 and name HN) (resid 19 and name HG)  5.00 3.20 0.0 ! 	 noesy_15.117
assign (resid 19 and name HN) (resid 18 and name HA)  3.40 1.60 0.0 ! 	 noesy_15.129
assign (resid 19 and name HN) (resid 19 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.130
assign (resid 19 and name HB2) (resid 19 and name HN)  3.40 1.60 0.0 ! 	 noesy_15.172
assign (resid 19 and name HB2) (resid 19 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.202
assign (resid 19 and name HG) (resid 19 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.203
assign (resid 19 and name HB2) (resid 18 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.217
assign (resid 19 and name HB2) (resid 19 and name HD2#)  5.00 3.20 0.0 ! 	 noesy_15.229
assign (resid 19 and name HG) (resid 18 and name HA)  5.00 3.20 0.0 ! 	 noesy_15.253
assign (resid 19 and name HD2#) (resid 19 and name HA)  3.40 1.60 0.0 ! 	 noesy_15.257
# Restraints file 2: phiepsi_2.tbl
!PHI
!MONOMER A
assign ( resid  1  and name c   )  ( resid  2  and name n  ) 
       ( resid  2  and name ca  )  ( resid  2  and name c  )  1.0   -98.083  34  2 
assign ( resid  2  and name c   )  ( resid  3  and name n  ) 
       ( resid  3  and name ca  )  ( resid  3  and name c  )  1.0   -60.487  8  2 
assign ( resid  3  and name c   )  ( resid  4  and name n  ) 
       ( resid  4  and name ca  )  ( resid  4  and name c  )  1.0   -62.650  9  2 
assign ( resid  4  and name c   )  ( resid  5  and name n  ) 
       ( resid  5  and name ca  )  ( resid  5  and name c  )  1.0   -85.539 19  2 
assign ( resid  5  and name c   )  ( resid  6  and name n  ) 
       ( resid  6  and name ca  )  ( resid  6  and name c  )  1.0   -76.246  21  2 
assign ( resid  6  and name c   )  ( resid  7  and name n  ) 
       ( resid  7  and name ca  )  ( resid  7  and name c  )  1.0   -62.929  4  2 
assign ( resid  7  and name c   )  ( resid  8  and name n  ) 
       ( resid  8  and name ca  )  ( resid  8  and name c  )  1.0   -66.947   17  2 
assign ( resid  8  and name c   )  ( resid  9  and name n  ) 
       ( resid  9  and name ca  )  ( resid  9  and name c  )  1.0   -64.311  7  2 
assign ( resid   9  and name c  )  ( resid 10  and name n  ) 
       ( resid 10  and name ca  )  ( resid 10  and name c  )  1.0   -67.299  12  2 
assign ( resid 10  and name c   )  ( resid 11  and name n  ) 
       ( resid 11  and name ca   )  ( resid 11  and name c  )  1.0   -64.754  4  2 
assign ( resid 11  and name c   )  ( resid 12  and name n  ) 
       ( resid 12  and name ca   )  ( resid 12  and name c  )  1.0   -65.695  8  2 
assign ( resid 12  and name c  )  ( resid 13  and name n  ) 
       ( resid 13  and name ca   )  ( resid 13  and name c  )  1.0   -65.879  5  2 
assign ( resid 13  and name c  )  ( resid 14  and name n  ) 
       ( resid 14  and name ca   )  ( resid 14  and name c  )  1.0   -68.137  15  2 
assign ( resid 14  and name c   )  ( resid 15  and name n  ) 
       ( resid 15  and name ca  )  ( resid 15  and name c  )   1.0   -61.299  5  2 
assign ( resid 15  and name c   )  ( resid 16  and name n  ) 
       ( resid 16  and name ca   )  ( resid 16  and name c  )  1.0   -65.871  10  2 
assign ( resid 16  and name c   )  ( resid 17  and name n  ) 
       ( resid 17  and name ca   )  ( resid 17  and name c  )  1.0   -71.030  11  2 
assign ( resid 17  and name c   )  ( resid 18  and name n  ) 
       ( resid 18  and name ca   )  ( resid 18  and name c  )  1.0   -83.630  10  2 
! 
!PSi 
!MONOMER A 
assign ( resid 2  and name n  )  ( resid 2  and name ca  ) 
       ( resid 2  and name c  )  ( resid 3  and name n  )  1.0  115.394   35  2 
assign ( resid 3  and name n  )  ( resid 3  and name ca  ) 
       ( resid 3  and name c  )  ( resid 4  and name n  )  1.0  145.120   9  2 
assign ( resid 4  and name n  )  ( resid 4  and name ca  ) 
       ( resid 4  and name c  )  ( resid 5  and name n  ) 1.0   -24.572  15  2 
assign ( resid 5  and name n  )  ( resid 5  and name ca  ) 
       ( resid 5  and name c  )  ( resid 6  and name n  ) 1.0   -16.800  23  2 
assign ( resid 6  and name n  )  ( resid 6  and name ca  ) 
       ( resid 6  and name c  )  ( resid 7  and name n  ) 1.0   -25.646  21  2 
assign ( resid 7  and name n  )  ( resid 7  and name ca  ) 
       ( resid 7  and name c  )  ( resid 8  and name n  ) 1.0   -40.922  4  2 
assign ( resid 8  and name n  )  ( resid 8  and name ca  ) 
       ( resid 8  and name c  )  ( resid 9  and name n  ) 1.0   -35.670 18  2 
assign ( resid 9  and name n  )  ( resid 9  and name ca  ) 
       ( resid 9  and name c  )  ( resid 10  and name n  ) 1.0   -44.022  5  2 
assign ( resid 10  and name n  )  ( resid 10  and name ca  ) 
       ( resid 10  and name c  )  ( resid 11  and name n  )  1.0   -39.006  7  2 
assign ( resid 11  and name n  )  ( resid 11  and name ca  ) 
       ( resid 11  and name c  )  ( resid 12  and name n  )  1.0   -42.410  5  2 
assign ( resid 12  and name n  )  ( resid 12  and name ca  ) 
       ( resid 12  and name c  )  ( resid 13  and name n  )  1.0   -36.129  7  2 
assign ( resid 13  and name n  )  ( resid 13  and name ca  ) 
       ( resid 13  and name c  )  ( resid 14  and name n  ) 1.0   -39.182  7  2 
assign ( resid 14  and name n  )  ( resid 14  and name ca  ) 
       ( resid 14  and name c  )  ( resid 15  and name n  ) 1.0   -35.730  17  2 
assign ( resid 15  and name n  )  ( resid 15  and name ca  ) 
       ( resid 15  and name c  )  ( resid 16  and name n  )  1.0   -41.414  7  2 
assign ( resid 16  and name n  )  ( resid 16  and name ca  ) 
       ( resid 16  and name c  )  ( resid 17  and name n  )  1.0   -34.946  15  2 
assign ( resid 17  and name n  )  ( resid 17  and name ca  ) 
       ( resid 17  and name c  )  ( resid 18  and name n  )  1.0   -35.612  11  2 
assign ( resid 18  and name n  )  ( resid 18  and name ca  ) 
       ( resid 18  and name c  )  ( resid 19  and name n  )  1.0   -16.631  16  2 
! 
!
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           HT1      PHE   1   3.081   5.775  -4.892
    2    H2   PHE   1           HT2      PHE   1   4.720   5.630  -4.479
    3    H3   PHE   1           HT3      PHE   1   3.526   5.081  -3.407
    4    HA   PHE   1           HA       PHE   1   2.895   3.329  -4.875
    5    HB2  PHE   1           HB2      PHE   1   3.898   3.038  -7.035
    6    HB3  PHE   1           HB1      PHE   1   3.330   4.702  -6.950
    7    HD1  PHE   1           HD1      PHE   1   5.128   6.472  -6.074
    8    HD2  PHE   1           HD2      PHE   1   6.081   2.609  -7.703
    9    HE1  PHE   1           HE1      PHE   1   7.439   7.234  -6.554
   10    HE2  PHE   1           HE2      PHE   1   8.384   3.383  -8.192
   11    HZ   PHE   1           HZ       PHE   1   9.062   5.694  -7.613
   12    H    LEU   2           HN       LEU   2   5.260   4.382  -2.993
   13    HA   LEU   2           HA       LEU   2   6.860   1.903  -3.230
   14    HB2  LEU   2           HB2      LEU   2   7.752   4.570  -2.109
   15    HB3  LEU   2           HB1      LEU   2   8.739   3.120  -2.270
   16    HG   LEU   2           HG       LEU   2   7.483   4.672  -4.556
   17   HD11  LEU   2          HD11      LEU   2  10.293   4.444  -3.462
   18   HD12  LEU   2          HD12      LEU   2   9.356   5.909  -3.758
   19   HD13  LEU   2          HD13      LEU   2   9.978   4.971  -5.116
   20   HD21  LEU   2          HD21      LEU   2   8.864   2.026  -4.351
   21   HD22  LEU   2          HD22      LEU   2   9.214   3.028  -5.758
   22   HD23  LEU   2          HD23      LEU   2   7.558   2.527  -5.425
   23    HA   PRO   3           HA       PRO   3   4.656   1.293   0.685
   24    HB2  PRO   3           HB2      PRO   3   5.933  -1.185   1.110
   25    HB3  PRO   3           HB1      PRO   3   4.331  -0.926   0.409
   26    HG2  PRO   3           HG2      PRO   3   6.856  -1.582  -0.903
   27    HG3  PRO   3           HG1      PRO   3   5.202  -1.829  -1.463
   28    HD2  PRO   3           HD2      PRO   3   6.921   0.093  -2.464
   29    HD3  PRO   3           HD1      PRO   3   5.149   0.173  -2.575
   30    H    ILE   4           HN       ILE   4   5.257   1.360   2.846
   31    HA   ILE   4           HA       ILE   4   7.688   2.634   3.471
   32    HB   ILE   4           HB       ILE   4   5.995   1.172   5.485
   33   HG12  ILE   4          HG12      ILE   4   4.488   2.432   3.971
   34   HG13  ILE   4          HG11      ILE   4   4.560   3.181   5.563
   35   HG21  ILE   4          HG21      ILE   4   7.827   3.565   5.486
   36   HG22  ILE   4          HG22      ILE   4   7.864   2.149   6.534
   37   HG23  ILE   4          HG23      ILE   4   6.603   3.367   6.740
   38   HD11  ILE   4          HD11      ILE   4   5.874   4.089   3.004
   39   HD12  ILE   4          HD12      ILE   4   6.434   4.659   4.575
   40   HD13  ILE   4          HD13      ILE   4   4.783   4.992   4.055
   41    H    ILE   5           HN       ILE   5   6.859  -0.710   3.279
   42    HA   ILE   5           HA       ILE   5   8.831  -1.763   5.006
   43    HB   ILE   5           HB       ILE   5   7.910  -3.192   2.521
   44   HG12  ILE   5          HG12      ILE   5   5.912  -2.081   3.538
   45   HG13  ILE   5          HG11      ILE   5   5.851  -3.833   3.693
   46   HG21  ILE   5          HG21      ILE   5   9.561  -4.197   4.137
   47   HG22  ILE   5          HG22      ILE   5   8.082  -5.136   3.944
   48   HG23  ILE   5          HG23      ILE   5   8.306  -4.130   5.375
   49   HD11  ILE   5          HD11      ILE   5   7.129  -2.288   5.919
   50   HD12  ILE   5          HD12      ILE   5   6.210  -3.790   5.978
   51   HD13  ILE   5          HD13      ILE   5   5.371  -2.252   5.787
   52    H    ILE   6           HN       ILE   6   8.924  -0.891   1.574
   53    HA   ILE   6           HA       ILE   6  11.459  -2.038   1.090
   54    HB   ILE   6           HB       ILE   6  10.675   0.329  -0.525
   55   HG12  ILE   6          HG12      ILE   6   8.466  -0.555  -0.124
   56   HG13  ILE   6          HG11      ILE   6   8.968  -1.107  -1.720
   57   HG21  ILE   6          HG21      ILE   6  11.560  -2.518  -1.073
   58   HG22  ILE   6          HG22      ILE   6  12.527  -1.051  -1.243
   59   HG23  ILE   6          HG23      ILE   6  11.176  -1.350  -2.337
   60   HD11  ILE   6          HD11      ILE   6   8.524  -3.208  -1.029
   61   HD12  ILE   6          HD12      ILE   6   8.303  -2.673   0.634
   62   HD13  ILE   6          HD13      ILE   6   9.915  -3.078   0.047
   63    H    ASN   7           HN       ASN   7  10.512   0.881   2.628
   64    HA   ASN   7           HA       ASN   7  12.750   2.512   2.180
   65    HB2  ASN   7           HB2      ASN   7  10.919   2.244   4.569
   66    HB3  ASN   7           HB1      ASN   7  12.222   3.424   4.515
   67   HD21  ASN   7          HD21      ASN   7   9.528   2.342   2.356
   68   HD22  ASN   7          HD22      ASN   7   9.102   3.914   1.886
   69    H    LEU   8           HN       LEU   8  12.140  -0.018   4.536
   70    HA   LEU   8           HA       LEU   8  14.510   0.171   6.038
   71    HB2  LEU   8           HB2      LEU   8  12.740  -2.190   5.374
   72    HB3  LEU   8           HB1      LEU   8  14.063  -2.257   6.533
   73    HG   LEU   8           HG       LEU   8  12.995  -0.568   7.928
   74   HD11  LEU   8          HD11      LEU   8  10.631   0.134   7.306
   75   HD12  LEU   8          HD12      LEU   8  10.954  -0.488   5.689
   76   HD13  LEU   8          HD13      LEU   8  11.905   0.854   6.327
   77   HD21  LEU   8          HD21      LEU   8  12.325  -3.004   8.049
   78   HD22  LEU   8          HD22      LEU   8  10.914  -2.593   7.072
   79   HD23  LEU   8          HD23      LEU   8  11.122  -1.874   8.668
   80    H    LYS   9           HN       LYS   9  13.629  -1.958   3.364
   81    HA   LYS   9           HA       LYS   9  16.182  -3.158   3.067
   82    HB2  LYS   9           HB2      LYS   9  14.273  -2.885   0.766
   83    HB3  LYS   9           HB1      LYS   9  15.282  -4.259   1.218
   84    HG2  LYS   9           HG2      LYS   9  12.803  -3.292   2.684
   85    HG3  LYS   9           HG1      LYS   9  12.939  -4.758   1.718
   86    HD2  LYS   9           HD2      LYS   9  14.321  -5.830   3.288
   87    HD3  LYS   9           HD1      LYS   9  14.805  -4.316   4.051
   88    HE2  LYS   9           HE2      LYS   9  12.894  -4.191   5.333
   89    HE3  LYS   9           HE1      LYS   9  11.894  -4.980   4.116
   90    HZ1  LYS   9           HZ1      LYS   9  13.841  -6.277   5.948
   91    HZ2  LYS   9           HZ2      LYS   9  13.074  -7.074   4.662
   92    HZ3  LYS   9           HZ3      LYS   9  12.154  -6.456   5.949
   93    H    ALA  10           HN       ALA  10  14.574  -0.443   1.550
   94    HA   ALA  10           HA       ALA  10  16.430   0.191  -0.434
   95    HB1  ALA  10           HB1      ALA  10  15.488   2.470  -0.262
   96    HB2  ALA  10           HB2      ALA  10  14.714   2.026   1.257
   97    HB3  ALA  10           HB3      ALA  10  14.223   1.242  -0.245
   98    H    LEU  11           HN       LEU  11  16.247   1.193   2.964
   99    HA   LEU  11           HA       LEU  11  18.535   2.870   2.954
  100    HB2  LEU  11           HB2      LEU  11  16.672   1.789   4.922
  101    HB3  LEU  11           HB1      LEU  11  18.323   1.851   5.540
  102    HG   LEU  11           HG       LEU  11  18.505   4.211   4.974
  103   HD11  LEU  11          HD11      LEU  11  16.001   5.124   4.296
  104   HD12  LEU  11          HD12      LEU  11  16.062   3.596   3.418
  105   HD13  LEU  11          HD13      LEU  11  17.295   4.827   3.136
  106   HD21  LEU  11          HD21      LEU  11  17.207   5.009   6.722
  107   HD22  LEU  11          HD22      LEU  11  17.132   3.279   7.056
  108   HD23  LEU  11          HD23      LEU  11  15.789   4.078   6.238
  109    H    ALA  12           HN       ALA  12  18.057  -0.573   3.625
  110    HA   ALA  12           HA       ALA  12  20.763  -1.050   4.432
  111    HB1  ALA  12           HB1      ALA  12  19.827  -3.465   3.427
  112    HB2  ALA  12           HB2      ALA  12  18.359  -2.657   3.973
  113    HB3  ALA  12           HB3      ALA  12  19.692  -2.923   5.099
  114    H    ALA  13           HN       ALA  13  19.006  -1.402   1.357
  115    HA   ALA  13           HA       ALA  13  21.146  -2.487  -0.139
  116    HB1  ALA  13           HB1      ALA  13  19.888  -1.243  -2.071
  117    HB2  ALA  13           HB2      ALA  13  18.680  -0.916  -0.828
  118    HB3  ALA  13           HB3      ALA  13  19.090  -2.581  -1.244
  119    H    LEU  14           HN       LEU  14  20.149   0.815   0.599
  120    HA   LEU  14           HA       LEU  14  21.881   2.274  -0.992
  121    HB2  LEU  14           HB2      LEU  14  20.245   3.496   0.146
  122    HB3  LEU  14           HB1      LEU  14  20.599   2.723   1.687
  123    HG   LEU  14           HG       LEU  14  22.757   4.358   0.399
  124   HD11  LEU  14          HD11      LEU  14  21.143   5.998   0.199
  125   HD12  LEU  14          HD12      LEU  14  21.646   6.259   1.868
  126   HD13  LEU  14          HD13      LEU  14  20.170   5.356   1.523
  127   HD21  LEU  14          HD21      LEU  14  22.601   4.959   3.081
  128   HD22  LEU  14          HD22      LEU  14  23.613   3.686   2.403
  129   HD23  LEU  14          HD23      LEU  14  22.022   3.294   3.056
  130    H    ALA  15           HN       ALA  15  22.406   1.166   2.368
  131    HA   ALA  15           HA       ALA  15  24.981   2.149   2.730
  132    HB1  ALA  15           HB1      ALA  15  23.866   1.212   4.619
  133    HB2  ALA  15           HB2      ALA  15  25.265   0.179   4.324
  134    HB3  ALA  15           HB3      ALA  15  23.660  -0.344   3.813
  135    H    LYS  16           HN       LYS  16  23.968  -0.932   1.341
  136    HA   LYS  16           HA       LYS  16  26.669  -1.780   0.810
  137    HB2  LYS  16           HB2      LYS  16  23.930  -2.829   0.159
  138    HB3  LYS  16           HB1      LYS  16  25.338  -3.484  -0.670
  139    HG2  LYS  16           HG2      LYS  16  25.150  -4.899   1.192
  140    HG3  LYS  16           HG1      LYS  16  26.352  -3.724   1.720
  141    HD2  LYS  16           HD2      LYS  16  24.021  -2.473   2.458
  142    HD3  LYS  16           HD1      LYS  16  23.591  -4.159   2.690
  143    HE2  LYS  16           HE2      LYS  16  25.873  -2.648   3.964
  144    HE3  LYS  16           HE1      LYS  16  24.522  -3.442   4.767
  145    HZ1  LYS  16           HZ1      LYS  16  26.958  -4.589   3.683
  146    HZ2  LYS  16           HZ2      LYS  16  25.539  -5.475   3.397
  147    HZ3  LYS  16           HZ3      LYS  16  26.002  -5.095   4.989
  148    H    LYS  17           HN       LYS  17  24.382   0.229  -0.750
  149    HA   LYS  17           HA       LYS  17  25.234  -0.195  -3.445
  150    HB2  LYS  17           HB2      LYS  17  23.023   0.806  -2.553
  151    HB3  LYS  17           HB1      LYS  17  23.921   2.314  -2.440
  152    HG2  LYS  17           HG2      LYS  17  24.034   0.737  -4.992
  153    HG3  LYS  17           HG1      LYS  17  22.609   1.712  -4.653
  154    HD2  LYS  17           HD2      LYS  17  25.453   2.771  -4.624
  155    HD3  LYS  17           HD1      LYS  17  24.342   2.940  -5.976
  156    HE2  LYS  17           HE2      LYS  17  24.060   4.112  -3.196
  157    HE3  LYS  17           HE1      LYS  17  24.204   4.982  -4.727
  158    HZ1  LYS  17           HZ1      LYS  17  22.087   3.909  -5.404
  159    HZ2  LYS  17           HZ2      LYS  17  21.926   4.987  -4.105
  160    HZ3  LYS  17           HZ3      LYS  17  21.921   3.311  -3.827
  161    H    ILE  18           HN       ILE  18  25.919   2.404  -1.062
  162    HA   ILE  18           HA       ILE  18  27.690   3.741  -2.889
  163    HB   ILE  18           HB       ILE  18  28.067   5.329  -1.187
  164   HG12  ILE  18          HG12      ILE  18  28.326   3.194   0.526
  165   HG13  ILE  18          HG11      ILE  18  28.235   4.875   1.037
  166   HG21  ILE  18          HG21      ILE  18  25.293   4.146  -0.835
  167   HG22  ILE  18          HG22      ILE  18  25.772   5.348  -2.029
  168   HG23  ILE  18          HG23      ILE  18  25.767   5.763  -0.316
  169   HD11  ILE  18          HD11      ILE  18  25.817   4.684   1.343
  170   HD12  ILE  18          HD12      ILE  18  26.634   3.422   2.265
  171   HD13  ILE  18          HD13      ILE  18  25.853   3.031   0.740
  172    H    LEU  19           HN       LEU  19  28.054   0.995  -0.997
  173    HA   LEU  19           HA       LEU  19  30.919   0.977  -1.499
  174    HB2  LEU  19           HB2      LEU  19  29.795   1.574   1.118
  175    HB3  LEU  19           HB1      LEU  19  30.791   0.119   1.165
  176    HG   LEU  19           HG       LEU  19  31.747   2.645  -0.177
  177   HD11  LEU  19          HD13      LEU  19  31.308   3.333   2.070
  178   HD12  LEU  19          HD11      LEU  19  33.033   2.990   1.987
  179   HD13  LEU  19          HD12      LEU  19  31.941   1.821   2.727
  180   HD21  LEU  19          HD21      LEU  19  33.974   1.549   0.500
  181   HD22  LEU  19          HD22      LEU  19  33.063   0.752  -0.784
  182   HD23  LEU  19          HD23      LEU  19  33.025   0.106   0.856
  183    HN1  NH2  20           H1       LEU  19  30.620  -0.926  -2.777
  184    HN2  NH2  20           H2       LEU  19  30.024  -2.382  -2.136
  Start of MODEL    2
    1    H1   PHE   1           HT1      PHE   1   3.769   4.535  -2.703
    2    H2   PHE   1           HT2      PHE   1   2.433   4.489  -3.737
    3    H3   PHE   1           HT3      PHE   1   3.542   5.768  -3.844
    4    HA   PHE   1           HA       PHE   1   3.691   3.066  -4.878
    5    HB2  PHE   1           HB2      PHE   1   4.596   4.115  -6.767
    6    HB3  PHE   1           HB1      PHE   1   3.479   5.325  -6.153
    7    HD1  PHE   1           HD1      PHE   1   4.496   7.092  -4.466
    8    HD2  PHE   1           HD2      PHE   1   6.821   4.691  -7.169
    9    HE1  PHE   1           HE1      PHE   1   6.364   8.719  -4.317
   10    HE2  PHE   1           HE2      PHE   1   8.684   6.315  -7.012
   11    HZ   PHE   1           HZ       PHE   1   8.456   8.333  -5.593
   12    H    LEU   2           HN       LEU   2   5.246   4.741  -2.444
   13    HA   LEU   2           HA       LEU   2   7.725   3.158  -2.778
   14    HB2  LEU   2           HB2      LEU   2   7.352   5.963  -2.269
   15    HB3  LEU   2           HB1      LEU   2   8.122   5.228  -0.867
   16    HG   LEU   2           HG       LEU   2   9.773   6.018  -2.554
   17   HD11  LEU   2          HD11      LEU   2  11.173   4.249  -2.167
   18   HD12  LEU   2          HD12      LEU   2   9.990   3.055  -2.706
   19   HD13  LEU   2          HD13      LEU   2   9.862   3.762  -1.096
   20   HD21  LEU   2          HD21      LEU   2   8.006   5.107  -4.426
   21   HD22  LEU   2          HD22      LEU   2   9.162   3.779  -4.394
   22   HD23  LEU   2          HD23      LEU   2   9.712   5.414  -4.751
   23    HA   PRO   3           HA       PRO   3   5.238   1.461   0.758
   24    HB2  PRO   3           HB2      PRO   3   6.568  -0.999   0.583
   25    HB3  PRO   3           HB1      PRO   3   5.002  -0.613  -0.154
   26    HG2  PRO   3           HG2      PRO   3   7.711  -0.628  -1.360
   27    HG3  PRO   3           HG1      PRO   3   6.163  -1.104  -2.078
   28    HD2  PRO   3           HD2      PRO   3   7.351   1.233  -2.700
   29    HD3  PRO   3           HD1      PRO   3   5.579   1.103  -2.571
   30    H    ILE   4           HN       ILE   4   5.859   1.575   2.821
   31    HA   ILE   4           HA       ILE   4   8.523   2.356   3.482
   32    HB   ILE   4           HB       ILE   4   6.495   1.511   5.535
   33   HG12  ILE   4          HG12      ILE   4   5.202   2.837   3.947
   34   HG13  ILE   4          HG11      ILE   4   5.567   3.854   5.341
   35   HG21  ILE   4          HG21      ILE   4   8.911   2.377   5.993
   36   HG22  ILE   4          HG22      ILE   4   7.584   3.097   6.904
   37   HG23  ILE   4          HG23      ILE   4   8.272   3.951   5.522
   38   HD11  ILE   4          HD11      ILE   4   6.758   3.928   2.580
   39   HD12  ILE   4          HD12      ILE   4   7.675   4.552   3.948
   40   HD13  ILE   4          HD13      ILE   4   6.110   5.254   3.542
   41    H    ILE   5           HN       ILE   5   6.900  -0.677   3.367
   42    HA   ILE   5           HA       ILE   5   8.469  -2.079   5.271
   43    HB   ILE   5           HB       ILE   5   7.295  -3.332   2.790
   44   HG12  ILE   5          HG12      ILE   5   5.576  -1.843   3.728
   45   HG13  ILE   5          HG11      ILE   5   5.165  -3.524   4.055
   46   HG21  ILE   5          HG21      ILE   5   6.815  -5.139   4.545
   47   HG22  ILE   5          HG22      ILE   5   7.872  -4.229   5.624
   48   HG23  ILE   5          HG23      ILE   5   8.508  -4.893   4.120
   49   HD11  ILE   5          HD11      ILE   5   6.295  -1.470   5.956
   50   HD12  ILE   5          HD12      ILE   5   6.387  -3.199   6.296
   51   HD13  ILE   5          HD13      ILE   5   4.819  -2.419   6.117
   52    H    ILE   6           HN       ILE   6   8.883  -1.492   1.797
   53    HA   ILE   6           HA       ILE   6  11.345  -2.995   1.763
   54    HB   ILE   6           HB       ILE   6  10.935  -1.429  -0.622
   55   HG12  ILE   6          HG12      ILE   6   8.550  -1.504   0.159
   56   HG13  ILE   6          HG11      ILE   6   8.813  -2.375  -1.345
   57   HG21  ILE   6          HG21      ILE   6  12.183  -3.659  -0.186
   58   HG22  ILE   6          HG22      ILE   6  11.252  -3.513  -1.677
   59   HG23  ILE   6          HG23      ILE   6  10.591  -4.407  -0.311
   60   HD11  ILE   6          HD11      ILE   6   8.500  -4.442  -0.366
   61   HD12  ILE   6          HD12      ILE   6   7.447  -3.468   0.657
   62   HD13  ILE   6          HD13      ILE   6   9.064  -3.898   1.212
   63    H    ASN   7           HN       ASN   7  10.374   0.232   2.322
   64    HA   ASN   7           HA       ASN   7  12.562   1.698   1.370
   65    HB2  ASN   7           HB2      ASN   7  10.548   2.052   3.507
   66    HB3  ASN   7           HB1      ASN   7  12.022   2.994   3.690
   67   HD21  ASN   7          HD21      ASN   7   9.907   4.587   3.254
   68   HD22  ASN   7          HD22      ASN   7   9.814   5.112   1.641
   69    H    LEU   8           HN       LEU   8  12.123  -0.026   4.413
   70    HA   LEU   8           HA       LEU   8  14.497   0.668   5.702
   71    HB2  LEU   8           HB2      LEU   8  12.807  -1.824   5.753
   72    HB3  LEU   8           HB1      LEU   8  14.234  -1.646   6.767
   73    HG   LEU   8           HG       LEU   8  13.253  -0.003   8.090
   74   HD11  LEU   8          HD11      LEU   8  11.356   0.605   5.793
   75   HD12  LEU   8          HD12      LEU   8  12.756   1.572   6.244
   76   HD13  LEU   8          HD13      LEU   8  11.384   1.450   7.339
   77   HD21  LEU   8          HD21      LEU   8  10.671  -1.187   7.127
   78   HD22  LEU   8          HD22      LEU   8  11.199  -0.848   8.775
   79   HD23  LEU   8          HD23      LEU   8  11.871  -2.221   7.897
   80    H    LYS   9           HN       LYS   9  13.766  -2.058   3.556
   81    HA   LYS   9           HA       LYS   9  16.448  -3.077   3.524
   82    HB2  LYS   9           HB2      LYS   9  14.092  -3.553   1.678
   83    HB3  LYS   9           HB1      LYS   9  15.628  -4.405   1.546
   84    HG2  LYS   9           HG2      LYS   9  14.886  -5.875   3.083
   85    HG3  LYS   9           HG1      LYS   9  14.906  -4.569   4.268
   86    HD2  LYS   9           HD2      LYS   9  12.556  -4.204   2.719
   87    HD3  LYS   9           HD1      LYS   9  12.626  -5.914   3.123
   88    HE2  LYS   9           HE2      LYS   9  12.642  -3.554   5.022
   89    HE3  LYS   9           HE1      LYS   9  11.470  -4.867   4.931
   90    HZ1  LYS   9           HZ1      LYS   9  12.673  -5.912   6.438
   91    HZ2  LYS   9           HZ2      LYS   9  13.916  -4.754   6.365
   92    HZ3  LYS   9           HZ3      LYS   9  13.919  -6.077   5.304
   93    H    ALA  10           HN       ALA  10  14.493  -1.001   1.448
   94    HA   ALA  10           HA       ALA  10  16.254  -0.651  -0.695
   95    HB1  ALA  10           HB1      ALA  10  13.959   0.225  -0.691
   96    HB2  ALA  10           HB2      ALA  10  15.112   1.519  -1.024
   97    HB3  ALA  10           HB3      ALA  10  14.389   1.371   0.576
   98    H    LEU  11           HN       LEU  11  16.030   1.059   2.411
   99    HA   LEU  11           HA       LEU  11  18.136   2.893   1.952
  100    HB2  LEU  11           HB2      LEU  11  16.463   3.070   3.811
  101    HB3  LEU  11           HB1      LEU  11  17.261   1.715   4.601
  102    HG   LEU  11           HG       LEU  11  19.434   3.141   4.359
  103   HD11  LEU  11          HD11      LEU  11  18.203   4.803   2.846
  104   HD12  LEU  11          HD12      LEU  11  19.166   5.490   4.152
  105   HD13  LEU  11          HD13      LEU  11  17.414   5.388   4.310
  106   HD21  LEU  11          HD21      LEU  11  17.224   4.003   6.252
  107   HD22  LEU  11          HD22      LEU  11  18.950   4.283   6.486
  108   HD23  LEU  11          HD23      LEU  11  18.314   2.639   6.504
  109    H    ALA  12           HN       ALA  12  18.048  -0.291   3.516
  110    HA   ALA  12           HA       ALA  12  20.780  -0.457   4.150
  111    HB1  ALA  12           HB1      ALA  12  20.308  -3.009   3.806
  112    HB2  ALA  12           HB2      ALA  12  18.633  -2.489   3.627
  113    HB3  ALA  12           HB3      ALA  12  19.506  -2.153   5.121
  114    H    ALA  13           HN       ALA  13  18.968  -1.354   1.235
  115    HA   ALA  13           HA       ALA  13  21.112  -2.463  -0.220
  116    HB1  ALA  13           HB1      ALA  13  19.227  -2.857  -1.433
  117    HB2  ALA  13           HB2      ALA  13  19.596  -1.302  -2.175
  118    HB3  ALA  13           HB3      ALA  13  18.435  -1.392  -0.851
  119    H    LEU  14           HN       LEU  14  19.873   0.837   0.031
  120    HA   LEU  14           HA       LEU  14  21.650   2.082  -1.743
  121    HB2  LEU  14           HB2      LEU  14  19.853   3.410  -1.081
  122    HB3  LEU  14           HB1      LEU  14  19.995   2.937   0.609
  123    HG   LEU  14           HG       LEU  14  22.311   4.423  -0.536
  124   HD11  LEU  14          HD11      LEU  14  19.533   5.463  -0.420
  125   HD12  LEU  14          HD12      LEU  14  20.881   5.959  -1.443
  126   HD13  LEU  14          HD13      LEU  14  20.795   6.508   0.229
  127   HD21  LEU  14          HD21      LEU  14  20.833   4.131   2.055
  128   HD22  LEU  14          HD22      LEU  14  21.737   5.618   1.779
  129   HD23  LEU  14          HD23      LEU  14  22.566   4.066   1.747
  130    H    ALA  15           HN       ALA  15  21.784   1.701   1.798
  131    HA   ALA  15           HA       ALA  15  24.294   2.846   2.251
  132    HB1  ALA  15           HB1      ALA  15  24.092   0.678   4.040
  133    HB2  ALA  15           HB2      ALA  15  22.435   1.205   3.741
  134    HB3  ALA  15           HB3      ALA  15  23.634   2.351   4.341
  135    H    LYS  16           HN       LYS  16  23.489  -0.572   1.657
  136    HA   LYS  16           HA       LYS  16  26.191  -1.447   1.694
  137    HB2  LYS  16           HB2      LYS  16  23.581  -2.615   0.826
  138    HB3  LYS  16           HB1      LYS  16  25.065  -3.384   0.261
  139    HG2  LYS  16           HG2      LYS  16  24.504  -4.460   2.332
  140    HG3  LYS  16           HG1      LYS  16  25.857  -3.385   2.679
  141    HD2  LYS  16           HD2      LYS  16  23.637  -1.761   3.062
  142    HD3  LYS  16           HD1      LYS  16  23.108  -3.312   3.694
  143    HE2  LYS  16           HE2      LYS  16  25.151  -1.439   4.720
  144    HE3  LYS  16           HE1      LYS  16  24.142  -2.591   5.591
  145    HZ1  LYS  16           HZ1      LYS  16  26.722  -3.033   4.252
  146    HZ2  LYS  16           HZ2      LYS  16  25.642  -4.332   4.453
  147    HZ3  LYS  16           HZ3      LYS  16  26.230  -3.496   5.807
  148    H    LYS  17           HN       LYS  17  24.333   0.219  -0.663
  149    HA   LYS  17           HA       LYS  17  25.932  -0.657  -2.910
  150    HB2  LYS  17           HB2      LYS  17  23.572  -0.018  -3.196
  151    HB3  LYS  17           HB1      LYS  17  23.956   1.619  -2.671
  152    HG2  LYS  17           HG2      LYS  17  25.794   0.860  -4.743
  153    HG3  LYS  17           HG1      LYS  17  24.155   0.543  -5.303
  154    HD2  LYS  17           HD2      LYS  17  25.112   3.169  -4.106
  155    HD3  LYS  17           HD1      LYS  17  24.898   2.861  -5.829
  156    HE2  LYS  17           HE2      LYS  17  22.828   3.159  -3.673
  157    HE3  LYS  17           HE1      LYS  17  22.854   3.842  -5.301
  158    HZ1  LYS  17           HZ1      LYS  17  22.481   0.961  -4.676
  159    HZ2  LYS  17           HZ2      LYS  17  22.416   1.682  -6.215
  160    HZ3  LYS  17           HZ3      LYS  17  21.235   2.041  -5.057
  161    H    ILE  18           HN       ILE  18  25.612   2.274  -0.931
  162    HA   ILE  18           HA       ILE  18  27.879   3.498  -2.277
  163    HB   ILE  18           HB       ILE  18  27.406   5.448  -0.994
  164   HG12  ILE  18          HG12      ILE  18  26.281   3.498   0.882
  165   HG13  ILE  18          HG11      ILE  18  26.846   5.140   1.181
  166   HG21  ILE  18          HG21      ILE  18  25.058   5.820  -1.594
  167   HG22  ILE  18          HG22      ILE  18  24.798   4.081  -1.730
  168   HG23  ILE  18          HG23      ILE  18  25.867   4.907  -2.864
  169   HD11  ILE  18          HD11      ILE  18  24.645   5.925   0.108
  170   HD12  ILE  18          HD12      ILE  18  24.515   5.164   1.690
  171   HD13  ILE  18          HD13      ILE  18  24.115   4.251   0.243
  172    H    LEU  19           HN       LEU  19  27.286   1.609   0.514
  173    HA   LEU  19           HA       LEU  19  30.122   1.739   1.217
  174    HB2  LEU  19           HB2      LEU  19  27.948   2.968   2.760
  175    HB3  LEU  19           HB1      LEU  19  28.970   1.884   3.710
  176    HG   LEU  19           HG       LEU  19  30.236   3.893   1.868
  177   HD11  LEU  19          HD13      LEU  19  30.242   5.556   3.641
  178   HD12  LEU  19          HD11      LEU  19  29.361   4.465   4.708
  179   HD13  LEU  19          HD12      LEU  19  28.573   5.119   3.272
  180   HD21  LEU  19          HD21      LEU  19  30.996   2.162   4.155
  181   HD22  LEU  19          HD22      LEU  19  31.729   3.764   4.134
  182   HD23  LEU  19          HD23      LEU  19  31.957   2.674   2.766
  183    HN1  NH2  20           H1       LEU  19  28.193  -0.331   0.161
  184    HN2  NH2  20           H2       LEU  19  28.295  -1.607   1.275
  Start of MODEL    3
    1    H1   PHE   1           HT1      PHE   1   3.783   4.456  -3.507
    2    H2   PHE   1           HT2      PHE   1   2.477   5.057  -4.397
    3    H3   PHE   1           HT3      PHE   1   3.655   4.103  -5.157
    4    HA   PHE   1           HA       PHE   1   1.597   3.267  -3.207
    5    HB2  PHE   1           HB2      PHE   1   1.170   1.577  -5.031
    6    HB3  PHE   1           HB1      PHE   1   0.873   3.248  -5.517
    7    HD1  PHE   1           HD1      PHE   1   2.562   4.475  -6.903
    8    HD2  PHE   1           HD2      PHE   1   2.930   0.277  -6.033
    9    HE1  PHE   1           HE1      PHE   1   4.210   4.238  -8.732
   10    HE2  PHE   1           HE2      PHE   1   4.580   0.044  -7.870
   11    HZ   PHE   1           HZ       PHE   1   5.219   2.028  -9.218
   12    H    LEU   2           HN       LEU   2   4.370   3.317  -2.461
   13    HA   LEU   2           HA       LEU   2   4.979   0.424  -2.441
   14    HB2  LEU   2           HB2      LEU   2   7.077   2.455  -1.812
   15    HB3  LEU   2           HB1      LEU   2   7.241   0.868  -2.561
   16    HG   LEU   2           HG       LEU   2   5.994   3.291  -3.905
   17   HD11  LEU   2          HD11      LEU   2   8.749   2.051  -4.112
   18   HD12  LEU   2          HD12      LEU   2   8.346   3.706  -3.651
   19   HD13  LEU   2          HD13      LEU   2   8.098   3.167  -5.313
   20   HD21  LEU   2          HD21      LEU   2   5.381   1.895  -5.574
   21   HD22  LEU   2          HD22      LEU   2   5.716   0.564  -4.469
   22   HD23  LEU   2          HD23      LEU   2   6.959   1.113  -5.589
   23    HA   PRO   3           HA       PRO   3   4.263   0.746   1.932
   24    HB2  PRO   3           HB2      PRO   3   5.529  -1.606   2.668
   25    HB3  PRO   3           HB1      PRO   3   3.871  -1.504   2.058
   26    HG2  PRO   3           HG2      PRO   3   6.332  -2.379   0.687
   27    HG3  PRO   3           HG1      PRO   3   4.650  -2.856   0.419
   28    HD2  PRO   3           HD2      PRO   3   6.067  -1.114  -1.214
   29    HD3  PRO   3           HD1      PRO   3   4.297  -1.213  -1.127
   30    H    ILE   4           HN       ILE   4   5.384   1.430   3.748
   31    HA   ILE   4           HA       ILE   4   7.831   2.708   3.438
   32    HB   ILE   4           HB       ILE   4   6.956   1.649   6.114
   33   HG12  ILE   4          HG12      ILE   4   4.871   2.408   5.127
   34   HG13  ILE   4          HG11      ILE   4   5.441   3.664   6.224
   35   HG21  ILE   4          HG21      ILE   4   7.798   3.785   6.893
   36   HG22  ILE   4          HG22      ILE   4   8.007   4.357   5.240
   37   HG23  ILE   4          HG23      ILE   4   9.026   3.056   5.857
   38   HD11  ILE   4          HD11      ILE   4   5.558   3.651   3.200
   39   HD12  ILE   4          HD12      ILE   4   6.562   4.732   4.165
   40   HD13  ILE   4          HD13      ILE   4   4.806   4.841   4.261
   41    H    ILE   5           HN       ILE   5   7.224  -0.618   3.898
   42    HA   ILE   5           HA       ILE   5   9.573  -1.395   5.264
   43    HB   ILE   5           HB       ILE   5   8.180  -3.106   3.199
   44   HG12  ILE   5          HG12      ILE   5   6.415  -2.054   4.573
   45   HG13  ILE   5          HG11      ILE   5   6.592  -3.752   5.000
   46   HG21  ILE   5          HG21      ILE   5   9.884  -3.510   5.632
   47   HG22  ILE   5          HG22      ILE   5   9.916  -4.362   4.086
   48   HG23  ILE   5          HG23      ILE   5   8.654  -4.719   5.264
   49   HD11  ILE   5          HD11      ILE   5   8.326  -2.768   6.763
   50   HD12  ILE   5          HD12      ILE   5   6.600  -2.838   7.115
   51   HD13  ILE   5          HD13      ILE   5   7.330  -1.327   6.573
   52    H    ILE   6           HN       ILE   6   8.897  -0.905   1.820
   53    HA   ILE   6           HA       ILE   6  11.350  -2.013   0.936
   54    HB   ILE   6           HB       ILE   6  10.009   0.086  -0.702
   55   HG12  ILE   6          HG12      ILE   6   8.045  -0.979   0.163
   56   HG13  ILE   6          HG11      ILE   6   8.346  -1.728  -1.401
   57   HG21  ILE   6          HG21      ILE   6  10.466  -1.553  -2.472
   58   HG22  ILE   6          HG22      ILE   6  11.017  -2.716  -1.265
   59   HG23  ILE   6          HG23      ILE   6  11.929  -1.231  -1.539
   60   HD11  ILE   6          HD11      ILE   6   9.815  -3.188   0.578
   61   HD12  ILE   6          HD12      ILE   6   8.476  -3.750  -0.419
   62   HD13  ILE   6          HD13      ILE   6   8.157  -3.005   1.148
   63    H    ASN   7           HN       ASN   7  10.446   1.113   2.117
   64    HA   ASN   7           HA       ASN   7  12.564   2.653   1.098
   65    HB2  ASN   7           HB2      ASN   7  11.052   2.843   3.707
   66    HB3  ASN   7           HB1      ASN   7  12.270   4.019   3.220
   67   HD21  ASN   7          HD21      ASN   7   9.403   4.618   3.553
   68   HD22  ASN   7          HD22      ASN   7   8.848   5.125   2.030
   69    H    LEU   8           HN       LEU   8  12.328   0.638   3.988
   70    HA   LEU   8           HA       LEU   8  14.802   1.106   5.185
   71    HB2  LEU   8           HB2      LEU   8  13.117  -1.384   4.926
   72    HB3  LEU   8           HB1      LEU   8  14.621  -1.378   5.832
   73    HG   LEU   8           HG       LEU   8  13.773   0.295   7.360
   74   HD11  LEU   8          HD11      LEU   8  12.466   1.646   5.771
   75   HD12  LEU   8          HD12      LEU   8  11.442   1.146   7.114
   76   HD13  LEU   8          HD13      LEU   8  11.323   0.319   5.562
   77   HD21  LEU   8          HD21      LEU   8  11.641  -0.948   8.112
   78   HD22  LEU   8          HD22      LEU   8  13.124  -1.898   8.006
   79   HD23  LEU   8          HD23      LEU   8  11.915  -2.000   6.725
   80    H    LYS   9           HN       LYS   9  13.891  -1.307   2.789
   81    HA   LYS   9           HA       LYS   9  16.511  -2.333   2.354
   82    HB2  LYS   9           HB2      LYS   9  14.343  -2.452   0.273
   83    HB3  LYS   9           HB1      LYS   9  15.549  -3.668   0.687
   84    HG2  LYS   9           HG2      LYS   9  13.253  -2.828   2.491
   85    HG3  LYS   9           HG1      LYS   9  13.267  -4.277   1.496
   86    HD2  LYS   9           HD2      LYS   9  14.858  -5.338   2.810
   87    HD3  LYS   9           HD1      LYS   9  15.554  -3.825   3.389
   88    HE2  LYS   9           HE2      LYS   9  13.290  -3.452   4.583
   89    HE3  LYS   9           HE1      LYS   9  12.986  -5.161   4.264
   90    HZ1  LYS   9           HZ1      LYS   9  13.983  -5.186   6.329
   91    HZ2  LYS   9           HZ2      LYS   9  15.064  -3.932   5.957
   92    HZ3  LYS   9           HZ3      LYS   9  15.303  -5.480   5.313
   93    H    ALA  10           HN       ALA  10  14.525   0.100   0.789
   94    HA   ALA  10           HA       ALA  10  16.114   0.690  -1.425
   95    HB1  ALA  10           HB1      ALA  10  13.804   1.643  -0.631
   96    HB2  ALA  10           HB2      ALA  10  14.884   2.673  -1.569
   97    HB3  ALA  10           HB3      ALA  10  14.791   2.857   0.184
   98    H    LEU  11           HN       LEU  11  16.242   1.909   1.910
   99    HA   LEU  11           HA       LEU  11  18.502   3.601   1.523
  100    HB2  LEU  11           HB2      LEU  11  17.404   2.264   4.010
  101    HB3  LEU  11           HB1      LEU  11  18.698   3.466   4.017
  102    HG   LEU  11           HG       LEU  11  16.148   4.122   2.586
  103   HD11  LEU  11          HD11      LEU  11  16.511   4.449   5.576
  104   HD12  LEU  11          HD12      LEU  11  15.501   3.207   4.839
  105   HD13  LEU  11          HD13      LEU  11  15.100   4.911   4.626
  106   HD21  LEU  11          HD21      LEU  11  18.330   5.596   4.069
  107   HD22  LEU  11          HD22      LEU  11  16.800   6.380   3.670
  108   HD23  LEU  11          HD23      LEU  11  17.837   5.768   2.383
  109    H    ALA  12           HN       ALA  12  18.046   0.246   2.513
  110    HA   ALA  12           HA       ALA  12  20.699  -0.385   3.176
  111    HB1  ALA  12           HB1      ALA  12  18.457  -1.799   3.317
  112    HB2  ALA  12           HB2      ALA  12  20.028  -2.594   3.202
  113    HB3  ALA  12           HB3      ALA  12  19.022  -2.417   1.764
  114    H    ALA  13           HN       ALA  13  19.006  -0.392   0.066
  115    HA   ALA  13           HA       ALA  13  21.044  -1.527  -1.501
  116    HB1  ALA  13           HB1      ALA  13  18.990   0.585  -2.220
  117    HB2  ALA  13           HB2      ALA  13  18.821  -1.161  -2.416
  118    HB3  ALA  13           HB3      ALA  13  19.992  -0.271  -3.392
  119    H    LEU  14           HN       LEU  14  20.591   1.673  -0.192
  120    HA   LEU  14           HA       LEU  14  22.799   2.835  -1.652
  121    HB2  LEU  14           HB2      LEU  14  21.069   4.342  -1.122
  122    HB3  LEU  14           HB1      LEU  14  20.924   3.743   0.526
  123    HG   LEU  14           HG       LEU  14  23.504   4.992  -0.392
  124   HD11  LEU  14          HD11      LEU  14  21.080   6.445   0.675
  125   HD12  LEU  14          HD12      LEU  14  21.626   6.496  -1.001
  126   HD13  LEU  14          HD13      LEU  14  22.641   7.161   0.278
  127   HD21  LEU  14          HD21      LEU  14  22.311   4.062   2.103
  128   HD22  LEU  14          HD22      LEU  14  22.761   5.761   2.215
  129   HD23  LEU  14          HD23      LEU  14  23.971   4.559   1.783
  130    H    ALA  15           HN       ALA  15  22.045   1.858   1.665
  131    HA   ALA  15           HA       ALA  15  24.484   2.424   2.890
  132    HB1  ALA  15           HB1      ALA  15  22.315   1.614   3.974
  133    HB2  ALA  15           HB2      ALA  15  23.812   0.953   4.630
  134    HB3  ALA  15           HB3      ALA  15  22.831  -0.015   3.532
  135    H    LYS  16           HN       LYS  16  23.496  -0.531   1.160
  136    HA   LYS  16           HA       LYS  16  25.971  -1.876   1.668
  137    HB2  LYS  16           HB2      LYS  16  23.561  -2.368  -0.002
  138    HB3  LYS  16           HB1      LYS  16  25.049  -3.184  -0.486
  139    HG2  LYS  16           HG2      LYS  16  23.941  -4.665   1.040
  140    HG3  LYS  16           HG1      LYS  16  25.281  -3.946   1.933
  141    HD2  LYS  16           HD2      LYS  16  22.877  -2.304   2.137
  142    HD3  LYS  16           HD1      LYS  16  22.582  -3.944   2.712
  143    HE2  LYS  16           HE2      LYS  16  24.756  -2.045   3.657
  144    HE3  LYS  16           HE1      LYS  16  23.343  -2.585   4.565
  145    HZ1  LYS  16           HZ1      LYS  16  24.192  -4.654   4.876
  146    HZ2  LYS  16           HZ2      LYS  16  25.632  -3.757   4.878
  147    HZ3  LYS  16           HZ3      LYS  16  25.157  -4.622   3.489
  148    H    LYS  17           HN       LYS  17  25.028   0.573  -0.544
  149    HA   LYS  17           HA       LYS  17  26.813   0.001  -2.677
  150    HB2  LYS  17           HB2      LYS  17  24.952   1.660  -2.804
  151    HB3  LYS  17           HB1      LYS  17  25.843   2.702  -1.696
  152    HG2  LYS  17           HG2      LYS  17  27.684   2.026  -3.734
  153    HG3  LYS  17           HG1      LYS  17  26.172   2.404  -4.558
  154    HD2  LYS  17           HD2      LYS  17  27.372   4.182  -2.416
  155    HD3  LYS  17           HD1      LYS  17  27.676   4.412  -4.137
  156    HE2  LYS  17           HE2      LYS  17  25.051   4.655  -2.651
  157    HE3  LYS  17           HE1      LYS  17  25.855   5.854  -3.664
  158    HZ1  LYS  17           HZ1      LYS  17  25.553   4.103  -5.504
  159    HZ2  LYS  17           HZ2      LYS  17  24.218   5.040  -5.035
  160    HZ3  LYS  17           HZ3      LYS  17  24.366   3.443  -4.484
  161    H    ILE  18           HN       ILE  18  27.066   1.913   0.271
  162    HA   ILE  18           HA       ILE  18  29.923   2.344  -0.177
  163    HB   ILE  18           HB       ILE  18  29.783   4.003   1.546
  164   HG12  ILE  18          HG12      ILE  18  27.720   2.305   2.553
  165   HG13  ILE  18          HG11      ILE  18  28.411   3.723   3.322
  166   HG21  ILE  18          HG21      ILE  18  27.193   4.088  -0.049
  167   HG22  ILE  18          HG22      ILE  18  28.772   4.547  -0.689
  168   HG23  ILE  18          HG23      ILE  18  28.053   5.471   0.630
  169   HD11  ILE  18          HD11      ILE  18  26.012   4.040   3.156
  170   HD12  ILE  18          HD12      ILE  18  26.044   3.673   1.431
  171   HD13  ILE  18          HD13      ILE  18  26.799   5.148   2.034
  172    H    LEU  19           HN       LEU  19  28.004   0.020   1.023
  173    HA   LEU  19           HA       LEU  19  28.308  -1.769   2.424
  174    HB2  LEU  19           HB2      LEU  19  31.114  -0.799   1.989
  175    HB3  LEU  19           HB1      LEU  19  30.792  -2.171   3.056
  176    HG   LEU  19           HG       LEU  19  29.435  -2.236   0.413
  177   HD11  LEU  19          HD13      LEU  19  32.335  -3.016   0.511
  178   HD12  LEU  19          HD11      LEU  19  31.884  -1.360   0.111
  179   HD13  LEU  19          HD12      LEU  19  31.318  -2.692  -0.891
  180   HD21  LEU  19          HD21      LEU  19  31.107  -4.321   1.840
  181   HD22  LEU  19          HD22      LEU  19  29.854  -4.586   0.632
  182   HD23  LEU  19          HD23      LEU  19  29.417  -4.024   2.241
  183    HN1  NH2  20           H1       LEU  19  27.430   0.616   3.705
  184    HN2  NH2  20           H2       LEU  19  28.085   0.654   5.273
  Start of MODEL    4
    1    H1   PHE   1           HT1      PHE   1   5.779   4.550  -4.452
    2    H2   PHE   1           HT2      PHE   1   5.151   4.785  -2.893
    3    H3   PHE   1           HT3      PHE   1   4.327   5.394  -4.245
    4    HA   PHE   1           HA       PHE   1   3.185   3.468  -3.547
    5    HB2  PHE   1           HB2      PHE   1   3.428   2.030  -5.541
    6    HB3  PHE   1           HB1      PHE   1   3.379   3.735  -5.975
    7    HD1  PHE   1           HD1      PHE   1   5.758   4.920  -6.214
    8    HD2  PHE   1           HD2      PHE   1   5.113   0.674  -6.347
    9    HE1  PHE   1           HE1      PHE   1   7.919   4.628  -7.396
   10    HE2  PHE   1           HE2      PHE   1   7.271   0.387  -7.533
   11    HZ   PHE   1           HZ       PHE   1   8.678   2.364  -8.053
   12    H    LEU   2           HN       LEU   2   6.585   3.293  -3.198
   13    HA   LEU   2           HA       LEU   2   6.717   0.463  -2.681
   14    HB2  LEU   2           HB2      LEU   2   8.690   2.629  -1.905
   15    HB3  LEU   2           HB1      LEU   2   9.004   0.895  -1.974
   16    HG   LEU   2           HG       LEU   2   8.379   2.738  -4.299
   17   HD11  LEU   2          HD11      LEU   2  10.581   2.240  -5.031
   18   HD12  LEU   2          HD12      LEU   2  10.734   0.888  -3.908
   19   HD13  LEU   2          HD13      LEU   2  10.739   2.545  -3.302
   20   HD21  LEU   2          HD21      LEU   2   7.182   0.733  -4.768
   21   HD22  LEU   2          HD22      LEU   2   8.466  -0.273  -4.102
   22   HD23  LEU   2          HD23      LEU   2   8.712   0.570  -5.630
   23    HA   PRO   3           HA       PRO   3   4.753   0.914   1.335
   24    HB2  PRO   3           HB2      PRO   3   5.674  -1.676   2.109
   25    HB3  PRO   3           HB1      PRO   3   4.053  -1.221   1.571
   26    HG2  PRO   3           HG2      PRO   3   6.161  -2.590   0.131
   27    HG3  PRO   3           HG1      PRO   3   4.443  -2.461  -0.252
   28    HD2  PRO   3           HD2      PRO   3   6.486  -1.189  -1.644
   29    HD3  PRO   3           HD1      PRO   3   4.781  -0.692  -1.668
   30    H    ILE   4           HN       ILE   4   5.441   1.101   3.493
   31    HA   ILE   4           HA       ILE   4   7.923   2.240   3.922
   32    HB   ILE   4           HB       ILE   4   6.448   0.830   6.131
   33   HG12  ILE   4          HG12      ILE   4   4.736   1.956   4.764
   34   HG13  ILE   4          HG11      ILE   4   4.981   2.830   6.276
   35   HG21  ILE   4          HG21      ILE   4   7.243   2.673   7.450
   36   HG22  ILE   4          HG22      ILE   4   7.788   3.538   6.014
   37   HG23  ILE   4          HG23      ILE   4   8.614   2.064   6.523
   38   HD11  ILE   4          HD11      ILE   4   6.481   4.414   5.113
   39   HD12  ILE   4          HD12      ILE   4   4.881   4.388   4.376
   40   HD13  ILE   4          HD13      ILE   4   6.222   3.547   3.598
   41    H    ILE   5           HN       ILE   5   7.029  -1.130   4.084
   42    HA   ILE   5           HA       ILE   5   9.268  -2.027   5.567
   43    HB   ILE   5           HB       ILE   5   7.914  -3.682   3.441
   44   HG12  ILE   5          HG12      ILE   5   6.749  -3.770   6.143
   45   HG13  ILE   5          HG11      ILE   5   6.469  -2.240   5.312
   46   HG21  ILE   5          HG21      ILE   5   9.839  -4.618   4.718
   47   HG22  ILE   5          HG22      ILE   5   8.337  -5.490   5.032
   48   HG23  ILE   5          HG23      ILE   5   8.953  -4.335   6.214
   49   HD11  ILE   5          HD11      ILE   5   5.978  -4.916   3.994
   50   HD12  ILE   5          HD12      ILE   5   5.412  -3.329   3.469
   51   HD13  ILE   5          HD13      ILE   5   4.737  -4.071   4.917
   52    H    ILE   6           HN       ILE   6   8.765  -1.589   2.075
   53    HA   ILE   6           HA       ILE   6  11.297  -2.719   1.395
   54    HB   ILE   6           HB       ILE   6  10.159  -0.959  -0.633
   55   HG12  ILE   6          HG12      ILE   6   8.058  -1.554   0.555
   56   HG13  ILE   6          HG11      ILE   6   8.152  -2.313  -1.032
   57   HG21  ILE   6          HG21      ILE   6  10.926  -3.870  -0.377
   58   HG22  ILE   6          HG22      ILE   6  11.737  -2.604  -1.297
   59   HG23  ILE   6          HG23      ILE   6  10.181  -3.229  -1.840
   60   HD11  ILE   6          HD11      ILE   6   8.388  -4.426  -0.172
   61   HD12  ILE   6          HD12      ILE   6   7.511  -3.716   1.179
   62   HD13  ILE   6          HD13      ILE   6   9.265  -3.877   1.253
   63    H    ASN   7           HN       ASN   7  10.180   0.458   2.165
   64    HA   ASN   7           HA       ASN   7  12.186   2.011   0.972
   65    HB2  ASN   7           HB2      ASN   7  10.695   2.411   3.576
   66    HB3  ASN   7           HB1      ASN   7  11.802   3.604   2.897
   67   HD21  ASN   7          HD21      ASN   7   8.823   1.766   2.089
   68   HD22  ASN   7          HD22      ASN   7   8.232   2.924   0.988
   69    H    LEU   8           HN       LEU   8  12.112   0.321   4.058
   70    HA   LEU   8           HA       LEU   8  14.587   1.152   5.101
   71    HB2  LEU   8           HB2      LEU   8  13.009  -1.409   5.403
   72    HB3  LEU   8           HB1      LEU   8  14.497  -1.113   6.291
   73    HG   LEU   8           HG       LEU   8  13.526   0.504   7.631
   74   HD11  LEU   8          HD11      LEU   8  11.514   1.813   6.972
   75   HD12  LEU   8          HD12      LEU   8  11.497   0.963   5.435
   76   HD13  LEU   8          HD13      LEU   8  12.845   2.020   5.837
   77   HD21  LEU   8          HD21      LEU   8  12.244  -1.796   7.563
   78   HD22  LEU   8          HD22      LEU   8  10.934  -0.822   6.898
   79   HD23  LEU   8          HD23      LEU   8  11.586  -0.454   8.495
   80    H    LYS   9           HN       LYS   9  13.697  -1.600   3.084
   81    HA   LYS   9           HA       LYS   9  16.329  -2.672   2.836
   82    HB2  LYS   9           HB2      LYS   9  14.222  -3.091   0.741
   83    HB3  LYS   9           HB1      LYS   9  15.373  -4.248   1.409
   84    HG2  LYS   9           HG2      LYS   9  12.905  -3.131   2.772
   85    HG3  LYS   9           HG1      LYS   9  13.171  -4.796   2.266
   86    HD2  LYS   9           HD2      LYS   9  14.814  -5.159   3.945
   87    HD3  LYS   9           HD1      LYS   9  14.983  -3.437   4.275
   88    HE2  LYS   9           HE2      LYS   9  12.867  -3.317   5.351
   89    HE3  LYS   9           HE1      LYS   9  12.367  -4.886   4.705
   90    HZ1  LYS   9           HZ1      LYS   9  14.037  -4.276   6.991
   91    HZ2  LYS   9           HZ2      LYS   9  14.599  -5.543   6.010
   92    HZ3  LYS   9           HZ3      LYS   9  13.049  -5.622   6.695
   93    H    ALA  10           HN       ALA  10  14.306  -0.554   0.878
   94    HA   ALA  10           HA       ALA  10  15.971  -0.212  -1.335
   95    HB1  ALA  10           HB1      ALA  10  14.224   1.860   0.030
   96    HB2  ALA  10           HB2      ALA  10  13.663   0.679  -1.154
   97    HB3  ALA  10           HB3      ALA  10  14.807   1.933  -1.631
   98    H    LEU  11           HN       LEU  11  15.893   1.441   1.792
   99    HA   LEU  11           HA       LEU  11  18.067   3.209   1.254
  100    HB2  LEU  11           HB2      LEU  11  16.599   2.303   3.709
  101    HB3  LEU  11           HB1      LEU  11  18.095   3.220   3.880
  102    HG   LEU  11           HG       LEU  11  16.070   4.266   1.953
  103   HD11  LEU  11          HD11      LEU  11  15.773   4.393   4.966
  104   HD12  LEU  11          HD12      LEU  11  14.626   3.714   3.810
  105   HD13  LEU  11          HD13      LEU  11  14.919   5.452   3.842
  106   HD21  LEU  11          HD21      LEU  11  16.891   6.386   3.313
  107   HD22  LEU  11          HD22      LEU  11  17.937   5.656   2.096
  108   HD23  LEU  11          HD23      LEU  11  18.192   5.306   3.806
  109    H    ALA  12           HN       ALA  12  17.754   0.056   2.859
  110    HA   ALA  12           HA       ALA  12  20.417  -0.234   3.717
  111    HB1  ALA  12           HB1      ALA  12  19.978  -2.676   3.638
  112    HB2  ALA  12           HB2      ALA  12  18.487  -2.363   2.751
  113    HB3  ALA  12           HB3      ALA  12  18.656  -1.797   4.412
  114    H    ALA  13           HN       ALA  13  18.831  -1.029   0.659
  115    HA   ALA  13           HA       ALA  13  21.046  -2.170  -0.667
  116    HB1  ALA  13           HB1      ALA  13  18.800  -0.541  -1.884
  117    HB2  ALA  13           HB2      ALA  13  18.697  -2.258  -1.498
  118    HB3  ALA  13           HB3      ALA  13  19.833  -1.696  -2.726
  119    H    LEU  14           HN       LEU  14  20.096   1.138  -0.062
  120    HA   LEU  14           HA       LEU  14  21.945   2.352  -1.892
  121    HB2  LEU  14           HB2      LEU  14  19.867   3.439  -1.140
  122    HB3  LEU  14           HB1      LEU  14  20.462   3.449   0.514
  123    HG   LEU  14           HG       LEU  14  21.997   4.767  -1.727
  124   HD11  LEU  14          HD11      LEU  14  19.693   5.678  -1.622
  125   HD12  LEU  14          HD12      LEU  14  20.890   6.853  -1.081
  126   HD13  LEU  14          HD13      LEU  14  19.908   5.985   0.100
  127   HD21  LEU  14          HD21      LEU  14  22.087   4.675   1.266
  128   HD22  LEU  14          HD22      LEU  14  22.514   6.197   0.482
  129   HD23  LEU  14          HD23      LEU  14  23.412   4.730   0.106
  130    H    ALA  15           HN       ALA  15  21.774   2.058   1.645
  131    HA   ALA  15           HA       ALA  15  24.268   3.150   2.273
  132    HB1  ALA  15           HB1      ALA  15  22.402   2.520   3.880
  133    HB2  ALA  15           HB2      ALA  15  24.036   2.129   4.417
  134    HB3  ALA  15           HB3      ALA  15  22.990   0.860   3.778
  135    H    LYS  16           HN       LYS  16  23.401  -0.265   1.717
  136    HA   LYS  16           HA       LYS  16  26.033  -1.238   2.121
  137    HB2  LYS  16           HB2      LYS  16  23.497  -2.345   1.032
  138    HB3  LYS  16           HB1      LYS  16  24.991  -3.181   0.608
  139    HG2  LYS  16           HG2      LYS  16  24.210  -4.190   2.638
  140    HG3  LYS  16           HG1      LYS  16  25.569  -3.164   3.093
  141    HD2  LYS  16           HD2      LYS  16  23.145  -1.613   3.141
  142    HD3  LYS  16           HD1      LYS  16  22.911  -3.069   4.095
  143    HE2  LYS  16           HE2      LYS  16  25.062  -0.969   4.434
  144    HE3  LYS  16           HE1      LYS  16  23.803  -1.418   5.588
  145    HZ1  LYS  16           HZ1      LYS  16  24.918  -3.747   5.350
  146    HZ2  LYS  16           HZ2      LYS  16  25.591  -2.580   6.383
  147    HZ3  LYS  16           HZ3      LYS  16  26.263  -2.846   4.849
  148    H    LYS  17           HN       LYS  17  24.602   0.383  -0.566
  149    HA   LYS  17           HA       LYS  17  26.269  -0.720  -2.610
  150    HB2  LYS  17           HB2      LYS  17  24.143   0.535  -3.052
  151    HB3  LYS  17           HB1      LYS  17  24.965   2.015  -2.556
  152    HG2  LYS  17           HG2      LYS  17  26.340   0.329  -4.602
  153    HG3  LYS  17           HG1      LYS  17  24.903   1.200  -5.125
  154    HD2  LYS  17           HD2      LYS  17  27.004   2.660  -3.547
  155    HD3  LYS  17           HD1      LYS  17  27.262   2.376  -5.266
  156    HE2  LYS  17           HE2      LYS  17  24.927   3.828  -3.984
  157    HE3  LYS  17           HE1      LYS  17  26.185   4.535  -4.997
  158    HZ1  LYS  17           HZ1      LYS  17  24.543   4.215  -6.524
  159    HZ2  LYS  17           HZ2      LYS  17  23.925   2.832  -5.758
  160    HZ3  LYS  17           HZ3      LYS  17  25.352   2.733  -6.669
  161    H    ILE  18           HN       ILE  18  26.452   2.125  -0.520
  162    HA   ILE  18           HA       ILE  18  29.106   2.776  -1.552
  163    HB   ILE  18           HB       ILE  18  28.881   4.845  -0.379
  164   HG12  ILE  18          HG12      ILE  18  27.200   3.254   1.372
  165   HG13  ILE  18          HG11      ILE  18  27.933   4.828   1.670
  166   HG21  ILE  18          HG21      ILE  18  27.513   4.572  -2.442
  167   HG22  ILE  18          HG22      ILE  18  26.789   5.707  -1.307
  168   HG23  ILE  18          HG23      ILE  18  26.147   4.073  -1.443
  169   HD11  ILE  18          HD11      ILE  18  25.469   4.934   1.839
  170   HD12  ILE  18          HD12      ILE  18  25.332   4.360   0.178
  171   HD13  ILE  18          HD13      ILE  18  26.059   5.932   0.512
  172    H    LEU  19           HN       LEU  19  27.780   0.760   0.659
  173    HA   LEU  19           HA       LEU  19  28.607  -0.479   2.381
  174    HB2  LEU  19           HB2      LEU  19  31.101   0.709   1.229
  175    HB3  LEU  19           HB1      LEU  19  31.177  -0.289   2.684
  176    HG   LEU  19           HG       LEU  19  29.589  -1.343   0.375
  177   HD11  LEU  19          HD13      LEU  19  32.169  -2.307  -0.087
  178   HD12  LEU  19          HD11      LEU  19  32.407  -0.583   0.190
  179   HD13  LEU  19          HD12      LEU  19  31.309  -1.127  -1.077
  180   HD21  LEU  19          HD21      LEU  19  31.555  -2.592   2.334
  181   HD22  LEU  19          HD22      LEU  19  30.549  -3.473   1.185
  182   HD23  LEU  19          HD23      LEU  19  29.802  -2.585   2.511
  183    HN1  NH2  20           H1       LEU  19  30.211   2.749   2.459
  184    HN2  NH2  20           H2       LEU  19  29.845   3.042   4.091
  Start of MODEL    5
    1    H1   PHE   1           HT1      PHE   1   6.498   4.090  -5.219
    2    H2   PHE   1           HT2      PHE   1   5.905   5.090  -3.989
    3    H3   PHE   1           HT3      PHE   1   5.420   5.341  -5.598
    4    HA   PHE   1           HA       PHE   1   3.793   4.174  -4.050
    5    HB2  PHE   1           HB2      PHE   1   3.093   2.648  -5.897
    6    HB3  PHE   1           HB1      PHE   1   3.478   4.264  -6.485
    7    HD1  PHE   1           HD1      PHE   1   5.528   4.679  -7.794
    8    HD2  PHE   1           HD2      PHE   1   4.550   0.748  -6.340
    9    HE1  PHE   1           HE1      PHE   1   7.236   3.689  -9.293
   10    HE2  PHE   1           HE2      PHE   1   6.262  -0.233  -7.838
   11    HZ   PHE   1           HZ       PHE   1   7.602   1.236  -9.319
   12    H    LEU   2           HN       LEU   2   6.619   3.379  -3.257
   13    HA   LEU   2           HA       LEU   2   6.316   0.457  -3.045
   14    HB2  LEU   2           HB2      LEU   2   8.633   2.352  -2.835
   15    HB3  LEU   2           HB1      LEU   2   8.706   0.838  -1.937
   16    HG   LEU   2           HG       LEU   2   9.699   0.704  -4.247
   17   HD11  LEU   2          HD11      LEU   2   8.240  -1.147  -2.873
   18   HD12  LEU   2          HD12      LEU   2   9.108  -1.478  -4.369
   19   HD13  LEU   2          HD13      LEU   2   7.386  -1.115  -4.417
   20   HD21  LEU   2          HD21      LEU   2   8.375   0.904  -6.178
   21   HD22  LEU   2          HD22      LEU   2   7.794   2.232  -5.173
   22   HD23  LEU   2          HD23      LEU   2   6.869   0.733  -5.278
   23    HA   PRO   3           HA       PRO   3   4.647   1.048   1.026
   24    HB2  PRO   3           HB2      PRO   3   5.413  -1.501   1.966
   25    HB3  PRO   3           HB1      PRO   3   3.863  -1.068   1.228
   26    HG2  PRO   3           HG2      PRO   3   6.194  -2.436   0.056
   27    HG3  PRO   3           HG1      PRO   3   4.478  -2.556  -0.367
   28    HD2  PRO   3           HD2      PRO   3   6.318  -1.220  -1.899
   29    HD3  PRO   3           HD1      PRO   3   4.596  -0.783  -1.852
   30    H    ILE   4           HN       ILE   4   5.400   1.487   3.082
   31    HA   ILE   4           HA       ILE   4   7.976   2.446   3.389
   32    HB   ILE   4           HB       ILE   4   6.421   1.406   5.749
   33   HG12  ILE   4          HG12      ILE   4   4.725   2.475   4.379
   34   HG13  ILE   4          HG11      ILE   4   5.163   3.594   5.665
   35   HG21  ILE   4          HG21      ILE   4   7.271   3.589   6.694
   36   HG22  ILE   4          HG22      ILE   4   8.178   3.820   5.199
   37   HG23  ILE   4          HG23      ILE   4   8.545   2.454   6.252
   38   HD11  ILE   4          HD11      ILE   4   5.348   5.057   3.910
   39   HD12  ILE   4          HD12      ILE   4   5.681   3.776   2.746
   40   HD13  ILE   4          HD13      ILE   4   6.963   4.355   3.808
   41    H    ILE   5           HN       ILE   5   6.842  -0.810   3.697
   42    HA   ILE   5           HA       ILE   5   8.871  -1.839   5.378
   43    HB   ILE   5           HB       ILE   5   7.579  -3.454   3.187
   44   HG12  ILE   5          HG12      ILE   5   5.744  -2.143   4.121
   45   HG13  ILE   5          HG11      ILE   5   5.648  -3.778   4.774
   46   HG21  ILE   5          HG21      ILE   5   7.852  -5.254   4.678
   47   HG22  ILE   5          HG22      ILE   5   7.993  -4.195   6.082
   48   HG23  ILE   5          HG23      ILE   5   9.318  -4.309   4.925
   49   HD11  ILE   5          HD11      ILE   5   5.401  -2.509   6.711
   50   HD12  ILE   5          HD12      ILE   5   6.489  -1.244   6.143
   51   HD13  ILE   5          HD13      ILE   5   7.142  -2.781   6.701
   52    H    ILE   6           HN       ILE   6   8.703  -1.489   1.833
   53    HA   ILE   6           HA       ILE   6  11.130  -2.896   1.388
   54    HB   ILE   6           HB       ILE   6  10.278  -0.853  -0.592
   55   HG12  ILE   6          HG12      ILE   6   8.095  -1.571   0.170
   56   HG13  ILE   6          HG11      ILE   6   8.427  -2.414  -1.338
   57   HG21  ILE   6          HG21      ILE   6  12.063  -2.478  -1.091
   58   HG22  ILE   6          HG22      ILE   6  10.657  -2.776  -2.114
   59   HG23  ILE   6          HG23      ILE   6  10.965  -3.809  -0.721
   60   HD11  ILE   6          HD11      ILE   6   9.508  -4.071   0.653
   61   HD12  ILE   6          HD12      ILE   6   8.022  -4.346  -0.253
   62   HD13  ILE   6          HD13      ILE   6   7.966  -3.521   1.301
   63    H    ASN   7           HN       ASN   7  10.384   0.380   2.179
   64    HA   ASN   7           HA       ASN   7  12.725   1.665   1.298
   65    HB2  ASN   7           HB2      ASN   7  10.933   2.255   3.669
   66    HB3  ASN   7           HB1      ASN   7  12.239   3.317   3.141
   67   HD21  ASN   7          HD21      ASN   7   9.160   1.863   2.072
   68   HD22  ASN   7          HD22      ASN   7   8.835   3.034   0.888
   69    H    LEU   8           HN       LEU   8  12.003   0.034   4.361
   70    HA   LEU   8           HA       LEU   8  14.323   0.546   5.794
   71    HB2  LEU   8           HB2      LEU   8  12.591  -1.912   5.599
   72    HB3  LEU   8           HB1      LEU   8  13.953  -1.823   6.712
   73    HG   LEU   8           HG       LEU   8  12.917  -0.235   8.057
   74   HD11  LEU   8          HD11      LEU   8  11.182   0.517   5.686
   75   HD12  LEU   8          HD12      LEU   8  12.546   1.452   6.292
   76   HD13  LEU   8          HD13      LEU   8  11.096   1.262   7.274
   77   HD21  LEU   8          HD21      LEU   8  11.290  -2.375   7.134
   78   HD22  LEU   8          HD22      LEU   8  10.235  -0.979   7.327
   79   HD23  LEU   8          HD23      LEU   8  11.211  -1.546   8.685
   80    H    LYS   9           HN       LYS   9  13.655  -2.029   3.477
   81    HA   LYS   9           HA       LYS   9  16.303  -3.125   3.517
   82    HB2  LYS   9           HB2      LYS   9  13.832  -3.523   1.865
   83    HB3  LYS   9           HB1      LYS   9  15.367  -4.092   1.219
   84    HG2  LYS   9           HG2      LYS   9  13.986  -5.759   2.639
   85    HG3  LYS   9           HG1      LYS   9  15.700  -5.610   3.007
   86    HD2  LYS   9           HD2      LYS   9  14.606  -5.560   5.127
   87    HD3  LYS   9           HD1      LYS   9  15.012  -3.878   4.797
   88    HE2  LYS   9           HE2      LYS   9  12.767  -3.732   5.468
   89    HE3  LYS   9           HE1      LYS   9  12.620  -3.791   3.715
   90    HZ1  LYS   9           HZ1      LYS   9  12.583  -6.349   4.198
   91    HZ2  LYS   9           HZ2      LYS   9  11.171  -5.411   4.283
   92    HZ3  LYS   9           HZ3      LYS   9  12.003  -5.833   5.703
   93    H    ALA  10           HN       ALA  10  14.520  -0.911   1.433
   94    HA   ALA  10           HA       ALA  10  16.398  -0.557  -0.598
   95    HB1  ALA  10           HB1      ALA  10  14.834   1.747   0.524
   96    HB2  ALA  10           HB2      ALA  10  13.994   0.416  -0.274
   97    HB3  ALA  10           HB3      ALA  10  15.187   1.363  -1.159
   98    H    LEU  11           HN       LEU  11  16.036   1.100   2.519
   99    HA   LEU  11           HA       LEU  11  18.189   2.893   2.248
  100    HB2  LEU  11           HB2      LEU  11  16.529   1.855   4.465
  101    HB3  LEU  11           HB1      LEU  11  18.132   2.415   4.931
  102    HG   LEU  11           HG       LEU  11  17.539   4.496   3.426
  103   HD11  LEU  11          HD11      LEU  11  15.404   3.399   2.634
  104   HD12  LEU  11          HD12      LEU  11  15.188   5.009   3.318
  105   HD13  LEU  11          HD13      LEU  11  14.771   3.586   4.271
  106   HD21  LEU  11          HD21      LEU  11  17.868   4.356   5.956
  107   HD22  LEU  11          HD22      LEU  11  16.118   4.172   6.086
  108   HD23  LEU  11          HD23      LEU  11  16.802   5.647   5.404
  109    H    ALA  12           HN       ALA  12  18.008  -0.443   3.378
  110    HA   ALA  12           HA       ALA  12  20.729  -0.605   4.253
  111    HB1  ALA  12           HB1      ALA  12  20.371  -2.977   4.388
  112    HB2  ALA  12           HB2      ALA  12  18.988  -2.889   3.296
  113    HB3  ALA  12           HB3      ALA  12  18.877  -2.203   4.917
  114    H    ALA  13           HN       ALA  13  18.996  -1.439   1.272
  115    HA   ALA  13           HA       ALA  13  21.189  -2.492  -0.162
  116    HB1  ALA  13           HB1      ALA  13  19.119  -2.888  -1.188
  117    HB2  ALA  13           HB2      ALA  13  19.785  -1.595  -2.186
  118    HB3  ALA  13           HB3      ALA  13  18.578  -1.224  -0.959
  119    H    LEU  14           HN       LEU  14  19.853   0.786   0.112
  120    HA   LEU  14           HA       LEU  14  21.604   2.114  -1.621
  121    HB2  LEU  14           HB2      LEU  14  19.781   3.382  -0.919
  122    HB3  LEU  14           HB1      LEU  14  19.943   2.872   0.758
  123    HG   LEU  14           HG       LEU  14  22.152   4.497  -0.465
  124   HD11  LEU  14          HD11      LEU  14  20.424   5.917  -1.093
  125   HD12  LEU  14          HD12      LEU  14  20.758   6.477   0.545
  126   HD13  LEU  14          HD13      LEU  14  19.385   5.413   0.238
  127   HD21  LEU  14          HD21      LEU  14  22.805   4.278   1.701
  128   HD22  LEU  14          HD22      LEU  14  21.228   3.651   2.180
  129   HD23  LEU  14          HD23      LEU  14  21.495   5.388   2.101
  130    H    ALA  15           HN       ALA  15  21.788   1.595   1.896
  131    HA   ALA  15           HA       ALA  15  24.258   2.819   2.353
  132    HB1  ALA  15           HB1      ALA  15  24.421   1.188   4.298
  133    HB2  ALA  15           HB2      ALA  15  22.908   0.487   3.723
  134    HB3  ALA  15           HB3      ALA  15  22.959   2.173   4.246
  135    H    LYS  16           HN       LYS  16  23.487  -0.508   1.399
  136    HA   LYS  16           HA       LYS  16  26.247  -1.305   1.361
  137    HB2  LYS  16           HB2      LYS  16  23.646  -2.561   0.779
  138    HB3  LYS  16           HB1      LYS  16  24.994  -3.161  -0.188
  139    HG2  LYS  16           HG2      LYS  16  24.851  -4.471   1.860
  140    HG3  LYS  16           HG1      LYS  16  26.307  -3.479   1.904
  141    HD2  LYS  16           HD2      LYS  16  23.908  -2.161   3.027
  142    HD3  LYS  16           HD1      LYS  16  24.420  -3.592   3.915
  143    HE2  LYS  16           HE2      LYS  16  25.890  -1.013   3.481
  144    HE3  LYS  16           HE1      LYS  16  25.676  -1.943   4.958
  145    HZ1  LYS  16           HZ1      LYS  16  27.044  -3.677   3.459
  146    HZ2  LYS  16           HZ2      LYS  16  27.761  -2.589   4.547
  147    HZ3  LYS  16           HZ3      LYS  16  27.690  -2.206   2.888
  148    H    LYS  17           HN       LYS  17  24.183   0.369  -0.822
  149    HA   LYS  17           HA       LYS  17  25.505  -0.371  -3.251
  150    HB2  LYS  17           HB2      LYS  17  23.246   0.637  -3.219
  151    HB3  LYS  17           HB1      LYS  17  23.930   2.136  -2.591
  152    HG2  LYS  17           HG2      LYS  17  25.165   1.031  -5.070
  153    HG3  LYS  17           HG1      LYS  17  23.546   1.716  -5.225
  154    HD2  LYS  17           HD2      LYS  17  25.592   3.271  -3.682
  155    HD3  LYS  17           HD1      LYS  17  25.724   3.253  -5.438
  156    HE2  LYS  17           HE2      LYS  17  23.332   4.146  -3.792
  157    HE3  LYS  17           HE1      LYS  17  24.363   5.160  -4.800
  158    HZ1  LYS  17           HZ1      LYS  17  22.307   3.227  -5.590
  159    HZ2  LYS  17           HZ2      LYS  17  23.639   3.434  -6.619
  160    HZ3  LYS  17           HZ3      LYS  17  22.655   4.764  -6.225
  161    H    ILE  18           HN       ILE  18  25.858   2.221  -0.894
  162    HA   ILE  18           HA       ILE  18  28.176   3.291  -2.333
  163    HB   ILE  18           HB       ILE  18  28.017   5.181  -0.856
  164   HG12  ILE  18          HG12      ILE  18  26.734   3.231   0.886
  165   HG13  ILE  18          HG11      ILE  18  27.446   4.786   1.296
  166   HG21  ILE  18          HG21      ILE  18  25.762   5.937  -1.343
  167   HG22  ILE  18          HG22      ILE  18  25.209   4.275  -1.556
  168   HG23  ILE  18          HG23      ILE  18  26.350   4.983  -2.703
  169   HD11  ILE  18          HD11      ILE  18  25.095   4.833   1.887
  170   HD12  ILE  18          HD12      ILE  18  24.635   4.302   0.271
  171   HD13  ILE  18          HD13      ILE  18  25.340   5.899   0.504
  172    H    LEU  19           HN       LEU  19  27.541   0.965  -0.052
  173    HA   LEU  19           HA       LEU  19  30.336   0.791   0.704
  174    HB2  LEU  19           HB2      LEU  19  28.290   1.873   2.499
  175    HB3  LEU  19           HB1      LEU  19  29.152   0.496   3.189
  176    HG   LEU  19           HG       LEU  19  30.685   2.707   1.827
  177   HD11  LEU  19          HD13      LEU  19  29.504   2.724   4.605
  178   HD12  LEU  19          HD11      LEU  19  29.458   3.996   3.385
  179   HD13  LEU  19          HD12      LEU  19  30.967   3.629   4.217
  180   HD21  LEU  19          HD21      LEU  19  32.314   1.957   3.685
  181   HD22  LEU  19          HD22      LEU  19  32.031   0.833   2.357
  182   HD23  LEU  19          HD23      LEU  19  31.228   0.588   3.909
  183    HN1  NH2  20           H1       LEU  19  29.842  -1.217  -0.637
  184    HN2  NH2  20           H2       LEU  19  29.124  -2.544   0.143
  Start of MODEL    6
    1    H1   PHE   1           HT1      PHE   1   6.848   0.935  -6.654
    2    H2   PHE   1           HT2      PHE   1   6.000   1.667  -5.386
    3    H3   PHE   1           HT3      PHE   1   5.206   1.310  -6.839
    4    HA   PHE   1           HA       PHE   1   4.575  -0.299  -5.215
    5    HB2  PHE   1           HB2      PHE   1   5.435  -2.375  -6.347
    6    HB3  PHE   1           HB1      PHE   1   4.795  -1.175  -7.471
    7    HD1  PHE   1           HD1      PHE   1   6.402   0.346  -8.703
    8    HD2  PHE   1           HD2      PHE   1   7.721  -3.043  -6.407
    9    HE1  PHE   1           HE1      PHE   1   8.589   0.414  -9.859
   10    HE2  PHE   1           HE2      PHE   1   9.910  -2.972  -7.569
   11    HZ   PHE   1           HZ       PHE   1  10.346  -1.244  -9.295
   12    H    LEU   2           HN       LEU   2   6.811   1.164  -3.990
   13    HA   LEU   2           HA       LEU   2   8.244  -1.087  -2.723
   14    HB2  LEU   2           HB2      LEU   2   9.088   1.636  -3.542
   15    HB3  LEU   2           HB1      LEU   2   9.720   1.058  -2.002
   16    HG   LEU   2           HG       LEU   2  11.236   0.476  -3.866
   17   HD11  LEU   2          HD11      LEU   2  10.638  -2.227  -3.531
   18   HD12  LEU   2          HD12      LEU   2   9.993  -1.470  -2.077
   19   HD13  LEU   2          HD13      LEU   2  11.691  -1.260  -2.498
   20   HD21  LEU   2          HD21      LEU   2  10.559  -0.547  -5.792
   21   HD22  LEU   2          HD22      LEU   2   9.006   0.164  -5.366
   22   HD23  LEU   2          HD23      LEU   2   9.339  -1.521  -4.974
   23    HA   PRO   3           HA       PRO   3   5.224   0.484   0.415
   24    HB2  PRO   3           HB2      PRO   3   5.814  -1.876   1.931
   25    HB3  PRO   3           HB1      PRO   3   4.324  -1.488   1.061
   26    HG2  PRO   3           HG2      PRO   3   6.480  -3.277   0.332
   27    HG3  PRO   3           HG1      PRO   3   4.857  -3.148  -0.356
   28    HD2  PRO   3           HD2      PRO   3   7.211  -2.376  -1.626
   29    HD3  PRO   3           HD1      PRO   3   5.589  -1.807  -2.064
   30    H    ILE   4           HN       ILE   4   5.569   1.152   2.592
   31    HA   ILE   4           HA       ILE   4   8.037   2.268   3.161
   32    HB   ILE   4           HB       ILE   4   6.137   1.433   5.349
   33   HG12  ILE   4          HG12      ILE   4   4.702   2.347   3.621
   34   HG13  ILE   4          HG11      ILE   4   4.937   3.602   4.836
   35   HG21  ILE   4          HG21      ILE   4   7.805   3.929   4.901
   36   HG22  ILE   4          HG22      ILE   4   8.286   2.570   5.916
   37   HG23  ILE   4          HG23      ILE   4   6.875   3.535   6.348
   38   HD11  ILE   4          HD11      ILE   4   6.142   3.403   2.085
   39   HD12  ILE   4          HD12      ILE   4   6.931   4.359   3.343
   40   HD13  ILE   4          HD13      ILE   4   5.297   4.761   2.827
   41    H    ILE   5           HN       ILE   5   6.910  -0.959   3.818
   42    HA   ILE   5           HA       ILE   5   8.842  -1.636   5.786
   43    HB   ILE   5           HB       ILE   5   7.555  -3.526   3.798
   44   HG12  ILE   5          HG12      ILE   5   6.252  -3.469   6.358
   45   HG13  ILE   5          HG11      ILE   5   6.316  -1.821   5.744
   46   HG21  ILE   5          HG21      ILE   5   8.934  -3.775   6.458
   47   HG22  ILE   5          HG22      ILE   5   9.163  -4.732   4.995
   48   HG23  ILE   5          HG23      ILE   5   7.719  -4.960   5.982
   49   HD11  ILE   5          HD11      ILE   5   4.325  -3.403   5.052
   50   HD12  ILE   5          HD12      ILE   5   5.488  -4.026   3.884
   51   HD13  ILE   5          HD13      ILE   5   5.043  -2.318   3.864
   52    H    ILE   6           HN       ILE   6   8.841  -1.842   2.254
   53    HA   ILE   6           HA       ILE   6  11.378  -3.141   2.116
   54    HB   ILE   6           HB       ILE   6  10.404  -1.647  -0.245
   55   HG12  ILE   6          HG12      ILE   6   8.258  -2.323   0.667
   56   HG13  ILE   6          HG11      ILE   6   8.662  -3.418  -0.651
   57   HG21  ILE   6          HG21      ILE   6  12.314  -3.325  -0.162
   58   HG22  ILE   6          HG22      ILE   6  11.084  -3.651  -1.381
   59   HG23  ILE   6          HG23      ILE   6  11.101  -4.572   0.123
   60   HD11  ILE   6          HD11      ILE   6   9.673  -4.310   1.964
   61   HD12  ILE   6          HD12      ILE   6   8.822  -5.215   0.716
   62   HD13  ILE   6          HD13      ILE   6   7.915  -4.231   1.865
   63    H    ASN   7           HN       ASN   7  10.359   0.105   2.478
   64    HA   ASN   7           HA       ASN   7  12.446   1.514   1.231
   65    HB2  ASN   7           HB2      ASN   7  10.474   2.064   3.330
   66    HB3  ASN   7           HB1      ASN   7  11.977   2.950   3.544
   67   HD21  ASN   7          HD21      ASN   7   9.869   4.541   2.976
   68   HD22  ASN   7          HD22      ASN   7   9.895   5.066   1.359
   69    H    LEU   8           HN       LEU   8  12.164   0.149   4.446
   70    HA   LEU   8           HA       LEU   8  14.610   0.903   5.560
   71    HB2  LEU   8           HB2      LEU   8  12.903  -1.568   5.844
   72    HB3  LEU   8           HB1      LEU   8  14.360  -1.331   6.806
   73    HG   LEU   8           HG       LEU   8  13.429   0.470   7.989
   74   HD11  LEU   8          HD11      LEU   8  12.698   1.765   6.011
   75   HD12  LEU   8          HD12      LEU   8  11.444   1.720   7.248
   76   HD13  LEU   8          HD13      LEU   8  11.314   0.689   5.827
   77   HD21  LEU   8          HD21      LEU   8  12.251  -1.794   8.281
   78   HD22  LEU   8          HD22      LEU   8  10.948  -1.114   7.310
   79   HD23  LEU   8          HD23      LEU   8  11.371  -0.375   8.854
   80    H    LYS   9           HN       LYS   9  13.711  -1.888   3.622
   81    HA   LYS   9           HA       LYS   9  16.312  -3.063   3.500
   82    HB2  LYS   9           HB2      LYS   9  14.265  -3.484   1.347
   83    HB3  LYS   9           HB1      LYS   9  15.346  -4.655   2.102
   84    HG2  LYS   9           HG2      LYS   9  12.920  -3.367   3.401
   85    HG3  LYS   9           HG1      LYS   9  13.035  -5.034   2.851
   86    HD2  LYS   9           HD2      LYS   9  14.566  -5.625   4.540
   87    HD3  LYS   9           HD1      LYS   9  15.001  -3.949   4.867
   88    HE2  LYS   9           HE2      LYS   9  12.922  -3.514   5.957
   89    HE3  LYS   9           HE1      LYS   9  12.206  -5.005   5.341
   90    HZ1  LYS   9           HZ1      LYS   9  14.373  -4.745   7.352
   91    HZ2  LYS   9           HZ2      LYS   9  13.949  -6.218   6.624
   92    HZ3  LYS   9           HZ3      LYS   9  12.823  -5.381   7.585
   93    H    ALA  10           HN       ALA  10  14.409  -0.998   1.375
   94    HA   ALA  10           HA       ALA  10  16.141  -0.814  -0.804
   95    HB1  ALA  10           HB1      ALA  10  14.859   1.024  -1.468
   96    HB2  ALA  10           HB2      ALA  10  14.619   1.581   0.189
   97    HB3  ALA  10           HB3      ALA  10  13.743   0.170  -0.402
   98    H    LEU  11           HN       LEU  11  15.974   1.105   2.171
   99    HA   LEU  11           HA       LEU  11  18.124   2.847   1.569
  100    HB2  LEU  11           HB2      LEU  11  16.346   2.454   3.725
  101    HB3  LEU  11           HB1      LEU  11  17.966   2.277   4.398
  102    HG   LEU  11           HG       LEU  11  18.507   4.437   3.026
  103   HD11  LEU  11          HD11      LEU  11  16.411   4.493   1.747
  104   HD12  LEU  11          HD12      LEU  11  16.518   5.917   2.781
  105   HD13  LEU  11          HD13      LEU  11  15.481   4.570   3.244
  106   HD21  LEU  11          HD21      LEU  11  17.620   3.963   5.668
  107   HD22  LEU  11          HD22      LEU  11  16.744   5.391   5.114
  108   HD23  LEU  11          HD23      LEU  11  18.506   5.370   5.076
  109    H    ALA  12           HN       ALA  12  17.949  -0.313   3.172
  110    HA   ALA  12           HA       ALA  12  20.635  -0.480   3.992
  111    HB1  ALA  12           HB1      ALA  12  20.198  -3.040   3.625
  112    HB2  ALA  12           HB2      ALA  12  18.539  -2.531   3.323
  113    HB3  ALA  12           HB3      ALA  12  19.296  -2.184   4.875
  114    H    ALA  13           HN       ALA  13  19.034  -1.359   0.950
  115    HA   ALA  13           HA       ALA  13  21.295  -2.425  -0.369
  116    HB1  ALA  13           HB1      ALA  13  19.011  -2.675  -1.270
  117    HB2  ALA  13           HB2      ALA  13  20.065  -1.911  -2.458
  118    HB3  ALA  13           HB3      ALA  13  18.921  -0.935  -1.539
  119    H    LEU  14           HN       LEU  14  19.929   0.830  -0.201
  120    HA   LEU  14           HA       LEU  14  21.776   2.149  -1.821
  121    HB2  LEU  14           HB2      LEU  14  19.866   3.361  -1.192
  122    HB3  LEU  14           HB1      LEU  14  20.052   2.958   0.509
  123    HG   LEU  14           HG       LEU  14  22.266   4.496  -0.754
  124   HD11  LEU  14          HD11      LEU  14  19.545   5.642  -0.089
  125   HD12  LEU  14          HD12      LEU  14  20.285   5.572  -1.688
  126   HD13  LEU  14          HD13      LEU  14  20.984   6.598  -0.435
  127   HD21  LEU  14          HD21      LEU  14  20.899   4.250   1.912
  128   HD22  LEU  14          HD22      LEU  14  21.761   5.740   1.541
  129   HD23  LEU  14          HD23      LEU  14  22.620   4.202   1.537
  130    H    ALA  15           HN       ALA  15  21.742   1.691   1.705
  131    HA   ALA  15           HA       ALA  15  24.215   2.865   2.287
  132    HB1  ALA  15           HB1      ALA  15  22.864   0.503   3.624
  133    HB2  ALA  15           HB2      ALA  15  22.660   2.203   4.049
  134    HB3  ALA  15           HB3      ALA  15  24.215   1.412   4.305
  135    H    LYS  16           HN       LYS  16  23.418  -0.476   1.400
  136    HA   LYS  16           HA       LYS  16  26.102  -1.427   1.530
  137    HB2  LYS  16           HB2      LYS  16  23.510  -2.463   0.487
  138    HB3  LYS  16           HB1      LYS  16  24.980  -3.194  -0.138
  139    HG2  LYS  16           HG2      LYS  16  23.960  -4.311   1.924
  140    HG3  LYS  16           HG1      LYS  16  25.666  -3.917   2.043
  141    HD2  LYS  16           HD2      LYS  16  23.724  -1.846   2.954
  142    HD3  LYS  16           HD1      LYS  16  23.885  -3.278   3.960
  143    HE2  LYS  16           HE2      LYS  16  25.681  -0.998   3.701
  144    HE3  LYS  16           HE1      LYS  16  25.678  -2.275   4.913
  145    HZ1  LYS  16           HZ1      LYS  16  26.744  -2.820   2.215
  146    HZ2  LYS  16           HZ2      LYS  16  27.141  -3.548   3.698
  147    HZ3  LYS  16           HZ3      LYS  16  27.696  -1.978   3.336
  148    H    LYS  17           HN       LYS  17  24.382   0.465  -0.763
  149    HA   LYS  17           HA       LYS  17  25.982  -0.261  -3.059
  150    HB2  LYS  17           HB2      LYS  17  23.614   0.671  -3.140
  151    HB3  LYS  17           HB1      LYS  17  24.300   2.230  -2.697
  152    HG2  LYS  17           HG2      LYS  17  25.877   1.158  -4.823
  153    HG3  LYS  17           HG1      LYS  17  24.185   1.024  -5.285
  154    HD2  LYS  17           HD2      LYS  17  25.490   3.555  -4.250
  155    HD3  LYS  17           HD1      LYS  17  25.206   3.213  -5.953
  156    HE2  LYS  17           HE2      LYS  17  23.130   3.587  -3.779
  157    HE3  LYS  17           HE1      LYS  17  23.386   4.586  -5.206
  158    HZ1  LYS  17           HZ1      LYS  17  21.828   3.315  -6.141
  159    HZ2  LYS  17           HZ2      LYS  17  21.946   2.119  -4.942
  160    HZ3  LYS  17           HZ3      LYS  17  23.026   2.119  -6.250
  161    H    ILE  18           HN       ILE  18  25.840   2.374  -0.720
  162    HA   ILE  18           HA       ILE  18  28.270   3.570  -1.837
  163    HB   ILE  18           HB       ILE  18  27.785   5.453  -0.403
  164   HG12  ILE  18          HG12      ILE  18  26.188   3.431   1.021
  165   HG13  ILE  18          HG11      ILE  18  26.856   4.946   1.623
  166   HG21  ILE  18          HG21      ILE  18  26.530   5.146  -2.554
  167   HG22  ILE  18          HG22      ILE  18  25.638   6.090  -1.362
  168   HG23  ILE  18          HG23      ILE  18  25.219   4.400  -1.637
  169   HD11  ILE  18          HD11      ILE  18  24.967   6.133   0.390
  170   HD12  ILE  18          HD12      ILE  18  24.457   5.136   1.752
  171   HD13  ILE  18          HD13      ILE  18  24.267   4.542   0.105
  172    H    LEU  19           HN       LEU  19  27.395   1.331   0.498
  173    HA   LEU  19           HA       LEU  19  30.080   1.317   1.637
  174    HB2  LEU  19           HB2      LEU  19  27.750   2.380   3.028
  175    HB3  LEU  19           HB1      LEU  19  28.454   1.018   3.906
  176    HG   LEU  19           HG       LEU  19  30.211   3.206   2.803
  177   HD11  LEU  19          HD13      LEU  19  30.059   4.150   5.202
  178   HD12  LEU  19          HD11      LEU  19  28.554   3.238   5.330
  179   HD13  LEU  19          HD12      LEU  19  28.720   4.501   4.110
  180   HD21  LEU  19          HD21      LEU  19  31.045   0.954   3.747
  181   HD22  LEU  19          HD22      LEU  19  30.517   1.555   5.320
  182   HD23  LEU  19          HD23      LEU  19  31.768   2.415   4.421
  183    HN1  NH2  20           H1       LEU  19  29.031  -0.569  -0.101
  184    HN2  NH2  20           H2       LEU  19  28.662  -1.995   0.743
  Start of MODEL    7
    1    H1   PHE   1           HT1      PHE   1   5.864   4.614  -5.664
    2    H2   PHE   1           HT2      PHE   1   5.157   5.158  -4.217
    3    H3   PHE   1           HT3      PHE   1   4.399   5.465  -5.698
    4    HA   PHE   1           HA       PHE   1   3.293   3.676  -4.510
    5    HB2  PHE   1           HB2      PHE   1   3.233   2.115  -6.358
    6    HB3  PHE   1           HB1      PHE   1   3.389   3.739  -7.021
    7    HD1  PHE   1           HD1      PHE   1   5.677   4.545  -7.800
    8    HD2  PHE   1           HD2      PHE   1   4.894   0.468  -6.692
    9    HE1  PHE   1           HE1      PHE   1   7.734   3.840  -8.976
   10    HE2  PHE   1           HE2      PHE   1   6.963  -0.239  -7.875
   11    HZ   PHE   1           HZ       PHE   1   8.381   1.455  -9.017
   12    H    LEU   2           HN       LEU   2   6.314   3.887  -3.652
   13    HA   LEU   2           HA       LEU   2   6.970   1.065  -3.376
   14    HB2  LEU   2           HB2      LEU   2   8.396   3.645  -2.896
   15    HB3  LEU   2           HB1      LEU   2   8.923   2.227  -1.993
   16    HG   LEU   2           HG       LEU   2  10.139   2.533  -4.174
   17   HD11  LEU   2          HD11      LEU   2   8.508   0.035  -4.436
   18   HD12  LEU   2          HD12      LEU   2   9.461   0.266  -2.970
   19   HD13  LEU   2          HD13      LEU   2  10.253   0.250  -4.545
   20   HD21  LEU   2          HD21      LEU   2   7.996   3.376  -5.342
   21   HD22  LEU   2          HD22      LEU   2   7.554   1.675  -5.483
   22   HD23  LEU   2          HD23      LEU   2   9.023   2.270  -6.254
   23    HA   PRO   3           HA       PRO   3   4.869   0.910   0.557
   24    HB2  PRO   3           HB2      PRO   3   5.811  -1.597   1.257
   25    HB3  PRO   3           HB1      PRO   3   4.393  -1.309   0.237
   26    HG2  PRO   3           HG2      PRO   3   7.143  -2.092  -0.523
   27    HG3  PRO   3           HG1      PRO   3   5.598  -2.513  -1.278
   28    HD2  PRO   3           HD2      PRO   3   7.343  -0.647  -2.296
   29    HD3  PRO   3           HD1      PRO   3   5.592  -0.623  -2.597
   30    H    ILE   4           HN       ILE   4   5.492   1.488   2.582
   31    HA   ILE   4           HA       ILE   4   8.033   2.440   3.141
   32    HB   ILE   4           HB       ILE   4   6.213   1.419   5.316
   33   HG12  ILE   4          HG12      ILE   4   4.739   2.558   3.725
   34   HG13  ILE   4          HG11      ILE   4   5.006   3.606   5.117
   35   HG21  ILE   4          HG21      ILE   4   8.085   3.784   5.004
   36   HG22  ILE   4          HG22      ILE   4   8.294   2.395   6.070
   37   HG23  ILE   4          HG23      ILE   4   7.008   3.560   6.383
   38   HD11  ILE   4          HD11      ILE   4   7.046   4.463   3.623
   39   HD12  ILE   4          HD12      ILE   4   5.424   5.130   3.438
   40   HD13  ILE   4          HD13      ILE   4   6.004   3.900   2.316
   41    H    ILE   5           HN       ILE   5   6.857  -0.795   3.282
   42    HA   ILE   5           HA       ILE   5   8.716  -1.878   5.128
   43    HB   ILE   5           HB       ILE   5   7.591  -3.370   2.760
   44   HG12  ILE   5          HG12      ILE   5   6.011  -3.384   5.261
   45   HG13  ILE   5          HG11      ILE   5   5.989  -1.844   4.405
   46   HG21  ILE   5          HG21      ILE   5   9.227  -4.454   4.356
   47   HG22  ILE   5          HG22      ILE   5   7.661  -5.256   4.255
   48   HG23  ILE   5          HG23      ILE   5   8.033  -4.224   5.635
   49   HD11  ILE   5          HD11      ILE   5   5.075  -4.549   3.455
   50   HD12  ILE   5          HD12      ILE   5   5.525  -3.303   2.295
   51   HD13  ILE   5          HD13      ILE   5   4.205  -3.016   3.425
   52    H    ILE   6           HN       ILE   6   8.909  -1.029   1.750
   53    HA   ILE   6           HA       ILE   6  11.375  -2.439   1.323
   54    HB   ILE   6           HB       ILE   6   9.659  -0.634  -0.363
   55   HG12  ILE   6          HG12      ILE   6   9.285  -2.567  -1.652
   56   HG13  ILE   6          HG11      ILE   6  10.747  -3.358  -1.074
   57   HG21  ILE   6          HG21      ILE   6  12.507  -1.501  -0.858
   58   HG22  ILE   6          HG22      ILE   6  11.795   0.102  -1.051
   59   HG23  ILE   6          HG23      ILE   6  11.398  -1.183  -2.191
   60   HD11  ILE   6          HD11      ILE   6   9.776  -3.851   1.037
   61   HD12  ILE   6          HD12      ILE   6   8.525  -4.231  -0.144
   62   HD13  ILE   6          HD13      ILE   6   8.440  -2.730   0.772
   63    H    ASN   7           HN       ASN   7  10.416   0.665   2.433
   64    HA   ASN   7           HA       ASN   7  12.632   2.242   1.731
   65    HB2  ASN   7           HB2      ASN   7  10.419   2.426   3.535
   66    HB3  ASN   7           HB1      ASN   7  11.877   2.879   4.403
   67   HD21  ASN   7          HD21      ASN   7  12.631   4.995   4.055
   68   HD22  ASN   7          HD22      ASN   7  12.118   5.998   2.788
   69    H    LEU   8           HN       LEU   8  12.052   0.146   4.490
   70    HA   LEU   8           HA       LEU   8  14.400   0.520   5.937
   71    HB2  LEU   8           HB2      LEU   8  12.491  -1.747   5.520
   72    HB3  LEU   8           HB1      LEU   8  13.949  -2.013   6.480
   73    HG   LEU   8           HG       LEU   8  13.283  -0.394   8.095
   74   HD11  LEU   8          HD11      LEU   8  11.091   0.406   6.163
   75   HD12  LEU   8          HD12      LEU   8  12.531   1.356   6.522
   76   HD13  LEU   8          HD13      LEU   8  11.324   1.077   7.776
   77   HD21  LEU   8          HD21      LEU   8  12.043  -2.308   8.562
   78   HD22  LEU   8          HD22      LEU   8  11.099  -2.179   7.079
   79   HD23  LEU   8          HD23      LEU   8  10.771  -1.096   8.432
   80    H    LYS   9           HN       LYS   9  13.630  -1.880   3.477
   81    HA   LYS   9           HA       LYS   9  16.189  -3.082   3.301
   82    HB2  LYS   9           HB2      LYS   9  14.360  -2.889   0.921
   83    HB3  LYS   9           HB1      LYS   9  15.340  -4.250   1.456
   84    HG2  LYS   9           HG2      LYS   9  12.821  -3.225   2.805
   85    HG3  LYS   9           HG1      LYS   9  12.969  -4.710   1.873
   86    HD2  LYS   9           HD2      LYS   9  14.138  -5.804   3.525
   87    HD3  LYS   9           HD1      LYS   9  14.865  -4.326   4.144
   88    HE2  LYS   9           HE2      LYS   9  12.564  -3.658   4.983
   89    HE3  LYS   9           HE1      LYS   9  12.026  -5.286   4.563
   90    HZ1  LYS   9           HZ1      LYS   9  14.338  -4.742   6.335
   91    HZ2  LYS   9           HZ2      LYS   9  13.562  -6.231   6.069
   92    HZ3  LYS   9           HZ3      LYS   9  12.765  -4.993   6.908
   93    H    ALA  10           HN       ALA  10  14.607  -0.467   1.583
   94    HA   ALA  10           HA       ALA  10  16.517   0.108  -0.360
   95    HB1  ALA  10           HB1      ALA  10  14.175   1.105   0.011
   96    HB2  ALA  10           HB2      ALA  10  15.432   2.196  -0.572
   97    HB3  ALA  10           HB3      ALA  10  14.961   2.220   1.126
   98    H    LEU  11           HN       LEU  11  16.277   1.191   3.013
   99    HA   LEU  11           HA       LEU  11  18.461   2.972   2.988
  100    HB2  LEU  11           HB2      LEU  11  16.834   2.860   4.839
  101    HB3  LEU  11           HB1      LEU  11  17.443   1.270   5.284
  102    HG   LEU  11           HG       LEU  11  19.458   3.448   5.044
  103   HD11  LEU  11          HD11      LEU  11  17.462   3.255   7.316
  104   HD12  LEU  11          HD12      LEU  11  17.674   4.620   6.219
  105   HD13  LEU  11          HD13      LEU  11  18.947   4.207   7.370
  106   HD21  LEU  11          HD21      LEU  11  18.973   0.972   6.676
  107   HD22  LEU  11          HD22      LEU  11  20.059   2.209   7.307
  108   HD23  LEU  11          HD23      LEU  11  20.405   1.439   5.758
  109    H    ALA  12           HN       ALA  12  18.291  -0.488   3.834
  110    HA   ALA  12           HA       ALA  12  21.074  -0.787   4.329
  111    HB1  ALA  12           HB1      ALA  12  20.651  -3.195   4.186
  112    HB2  ALA  12           HB2      ALA  12  19.086  -2.894   3.430
  113    HB3  ALA  12           HB3      ALA  12  19.360  -2.418   5.106
  114    H    ALA  13           HN       ALA  13  19.019  -1.274   1.498
  115    HA   ALA  13           HA       ALA  13  20.982  -2.266  -0.255
  116    HB1  ALA  13           HB1      ALA  13  18.447  -2.136  -0.631
  117    HB2  ALA  13           HB2      ALA  13  19.465  -1.750  -2.017
  118    HB3  ALA  13           HB3      ALA  13  18.710  -0.454  -1.091
  119    H    LEU  14           HN       LEU  14  20.071   0.995   0.706
  120    HA   LEU  14           HA       LEU  14  21.572   2.448  -1.173
  121    HB2  LEU  14           HB2      LEU  14  19.855   3.384   0.390
  122    HB3  LEU  14           HB1      LEU  14  20.996   3.170   1.711
  123    HG   LEU  14           HG       LEU  14  21.710   4.767  -0.750
  124   HD11  LEU  14          HD11      LEU  14  20.671   5.953   1.817
  125   HD12  LEU  14          HD12      LEU  14  19.582   5.538   0.494
  126   HD13  LEU  14          HD13      LEU  14  20.859   6.729   0.245
  127   HD21  LEU  14          HD21      LEU  14  23.026   5.887   1.334
  128   HD22  LEU  14          HD22      LEU  14  23.690   4.532   0.423
  129   HD23  LEU  14          HD23      LEU  14  22.867   4.245   1.956
  130    H    ALA  15           HN       ALA  15  22.330   1.525   2.156
  131    HA   ALA  15           HA       ALA  15  24.995   2.396   2.202
  132    HB1  ALA  15           HB1      ALA  15  23.577   1.662   4.176
  133    HB2  ALA  15           HB2      ALA  15  25.246   1.091   4.183
  134    HB3  ALA  15           HB3      ALA  15  23.941   0.001   3.707
  135    H    LYS  16           HN       LYS  16  23.593  -0.724   1.310
  136    HA   LYS  16           HA       LYS  16  26.117  -1.983   0.855
  137    HB2  LYS  16           HB2      LYS  16  23.282  -2.709   0.559
  138    HB3  LYS  16           HB1      LYS  16  24.366  -3.477  -0.601
  139    HG2  LYS  16           HG2      LYS  16  24.270  -4.891   1.351
  140    HG3  LYS  16           HG1      LYS  16  25.854  -4.121   1.319
  141    HD2  LYS  16           HD2      LYS  16  23.868  -2.504   2.750
  142    HD3  LYS  16           HD1      LYS  16  24.060  -4.104   3.464
  143    HE2  LYS  16           HE2      LYS  16  26.054  -1.884   3.199
  144    HE3  LYS  16           HE1      LYS  16  25.707  -2.927   4.578
  145    HZ1  LYS  16           HZ1      LYS  16  27.632  -3.850   3.904
  146    HZ2  LYS  16           HZ2      LYS  16  27.452  -3.393   2.280
  147    HZ3  LYS  16           HZ3      LYS  16  26.597  -4.739   2.903
  148    H    LYS  17           HN       LYS  17  24.206   0.171  -1.048
  149    HA   LYS  17           HA       LYS  17  24.875  -0.709  -3.633
  150    HB2  LYS  17           HB2      LYS  17  23.394   1.344  -2.638
  151    HB3  LYS  17           HB1      LYS  17  24.814   2.218  -3.191
  152    HG2  LYS  17           HG2      LYS  17  23.185   0.294  -4.880
  153    HG3  LYS  17           HG1      LYS  17  23.076   2.049  -4.964
  154    HD2  LYS  17           HD2      LYS  17  25.571   0.419  -5.524
  155    HD3  LYS  17           HD1      LYS  17  24.528   1.135  -6.748
  156    HE2  LYS  17           HE2      LYS  17  26.031   2.678  -4.610
  157    HE3  LYS  17           HE1      LYS  17  26.505   2.545  -6.304
  158    HZ1  LYS  17           HZ1      LYS  17  24.535   4.227  -5.094
  159    HZ2  LYS  17           HZ2      LYS  17  23.900   3.346  -6.401
  160    HZ3  LYS  17           HZ3      LYS  17  25.260   4.332  -6.624
  161    H    ILE  18           HN       ILE  18  26.550   1.433  -1.376
  162    HA   ILE  18           HA       ILE  18  28.825   1.630  -3.205
  163    HB   ILE  18           HB       ILE  18  29.596   3.402  -1.811
  164   HG12  ILE  18          HG12      ILE  18  28.630   1.971   0.300
  165   HG13  ILE  18          HG11      ILE  18  29.085   3.669   0.395
  166   HG21  ILE  18          HG21      ILE  18  26.574   3.437  -2.086
  167   HG22  ILE  18          HG22      ILE  18  27.750   4.012  -3.269
  168   HG23  ILE  18          HG23      ILE  18  27.559   4.854  -1.732
  169   HD11  ILE  18          HD11      ILE  18  26.782   3.097   1.322
  170   HD12  ILE  18          HD12      ILE  18  26.285   2.775  -0.337
  171   HD13  ILE  18          HD13      ILE  18  26.816   4.392   0.126
  172    H    LEU  19           HN       LEU  19  27.811  -0.429  -0.816
  173    HA   LEU  19           HA       LEU  19  30.437  -1.610  -0.584
  174    HB2  LEU  19           HB2      LEU  19  29.353   0.086   1.545
  175    HB3  LEU  19           HB1      LEU  19  29.786  -1.531   2.103
  176    HG   LEU  19           HG       LEU  19  31.685   0.020   0.356
  177   HD11  LEU  19          HD13      LEU  19  31.421   1.624   2.034
  178   HD12  LEU  19          HD11      LEU  19  32.738   0.636   2.667
  179   HD13  LEU  19          HD12      LEU  19  31.098   0.411   3.275
  180   HD21  LEU  19          HD21      LEU  19  33.335  -1.333   1.643
  181   HD22  LEU  19          HD22      LEU  19  32.173  -2.339   0.779
  182   HD23  LEU  19          HD23      LEU  19  32.003  -2.087   2.517
  183    HN1  NH2  20           H1       LEU  19  29.094  -3.348  -1.655
  184    HN2  NH2  20           H2       LEU  19  28.071  -4.307  -0.696
  Start of MODEL    8
    1    H1   PHE   1           HT1      PHE   1   7.310   6.733  -2.535
    2    H2   PHE   1           HT2      PHE   1   8.804   5.938  -2.441
    3    H3   PHE   1           HT3      PHE   1   7.493   5.407  -1.501
    4    HA   PHE   1           HA       PHE   1   6.425   5.253  -3.926
    5    HB2  PHE   1           HB2      PHE   1   8.429   5.838  -5.114
    6    HB3  PHE   1           HB1      PHE   1   9.398   4.733  -4.148
    7    HD1  PHE   1           HD1      PHE   1  10.238   3.676  -6.219
    8    HD2  PHE   1           HD2      PHE   1   6.055   3.643  -5.229
    9    HE1  PHE   1           HE1      PHE   1   9.859   1.865  -7.865
   10    HE2  PHE   1           HE2      PHE   1   5.687   1.821  -6.867
   11    HZ   PHE   1           HZ       PHE   1   7.587   0.936  -8.185
   12    H    LEU   2           HN       LEU   2   9.099   3.182  -2.889
   13    HA   LEU   2           HA       LEU   2   7.547   0.825  -2.808
   14    HB2  LEU   2           HB2      LEU   2  10.281   1.601  -1.897
   15    HB3  LEU   2           HB1      LEU   2   9.599   0.114  -1.249
   16    HG   LEU   2           HG       LEU   2  10.959  -0.228  -3.340
   17   HD11  LEU   2          HD11      LEU   2   8.021  -0.862  -3.704
   18   HD12  LEU   2          HD12      LEU   2   9.109  -1.764  -2.649
   19   HD13  LEU   2          HD13      LEU   2   9.392  -1.733  -4.388
   20   HD21  LEU   2          HD21      LEU   2   8.661   1.070  -4.807
   21   HD22  LEU   2          HD22      LEU   2  10.251   0.624  -5.429
   22   HD23  LEU   2          HD23      LEU   2  10.083   1.994  -4.333
   23    HA   PRO   3           HA       PRO   3   5.429   0.993   1.054
   24    HB2  PRO   3           HB2      PRO   3   6.114  -1.750   1.718
   25    HB3  PRO   3           HB1      PRO   3   4.548  -1.068   1.258
   26    HG2  PRO   3           HG2      PRO   3   6.248  -2.666  -0.294
   27    HG3  PRO   3           HG1      PRO   3   4.743  -1.894  -0.794
   28    HD2  PRO   3           HD2      PRO   3   7.423  -1.228  -1.612
   29    HD3  PRO   3           HD1      PRO   3   5.905  -0.448  -2.095
   30    H    ILE   4           HN       ILE   4   5.784   0.912   3.312
   31    HA   ILE   4           HA       ILE   4   8.206   1.913   4.191
   32    HB   ILE   4           HB       ILE   4   6.361   0.353   5.989
   33   HG12  ILE   4          HG12      ILE   4   4.894   1.740   4.616
   34   HG13  ILE   4          HG11      ILE   4   5.075   2.528   6.184
   35   HG21  ILE   4          HG21      ILE   4   8.349   2.592   6.252
   36   HG22  ILE   4          HG22      ILE   4   8.138   1.170   7.271
   37   HG23  ILE   4          HG23      ILE   4   7.001   2.514   7.387
   38   HD11  ILE   4          HD11      ILE   4   5.415   4.299   4.677
   39   HD12  ILE   4          HD12      ILE   4   6.304   3.286   3.539
   40   HD13  ILE   4          HD13      ILE   4   7.060   3.787   5.050
   41    H    ILE   5           HN       ILE   5   7.122  -1.460   4.201
   42    HA   ILE   5           HA       ILE   5   9.307  -2.474   5.704
   43    HB   ILE   5           HB       ILE   5   7.862  -4.032   3.564
   44   HG12  ILE   5          HG12      ILE   5   6.777  -4.136   6.302
   45   HG13  ILE   5          HG11      ILE   5   6.535  -2.584   5.506
   46   HG21  ILE   5          HG21      ILE   5   9.239  -4.670   6.177
   47   HG22  ILE   5          HG22      ILE   5   9.618  -5.287   4.568
   48   HG23  ILE   5          HG23      ILE   5   8.147  -5.807   5.388
   49   HD11  ILE   5          HD11      ILE   5   5.853  -5.260   4.268
   50   HD12  ILE   5          HD12      ILE   5   5.502  -3.669   3.597
   51   HD13  ILE   5          HD13      ILE   5   4.684  -4.206   5.065
   52    H    ILE   6           HN       ILE   6   8.843  -2.021   2.216
   53    HA   ILE   6           HA       ILE   6  11.427  -3.127   1.632
   54    HB   ILE   6           HB       ILE   6  10.290  -1.587  -0.544
   55   HG12  ILE   6          HG12      ILE   6   8.163  -2.072   0.677
   56   HG13  ILE   6          HG11      ILE   6   8.259  -2.913  -0.868
   57   HG21  ILE   6          HG21      ILE   6  10.630  -3.624  -1.748
   58   HG22  ILE   6          HG22      ILE   6  10.608  -4.583  -0.269
   59   HG23  ILE   6          HG23      ILE   6  11.965  -3.506  -0.602
   60   HD11  ILE   6          HD11      ILE   6   7.605  -4.161   1.438
   61   HD12  ILE   6          HD12      ILE   6   9.354  -4.381   1.465
   62   HD13  ILE   6          HD13      ILE   6   8.411  -4.971   0.097
   63    H    ASN   7           HN       ASN   7  10.089  -0.013   2.263
   64    HA   ASN   7           HA       ASN   7  11.938   1.694   1.025
   65    HB2  ASN   7           HB2      ASN   7   9.823   2.033   2.733
   66    HB3  ASN   7           HB1      ASN   7  11.175   2.434   3.779
   67   HD21  ASN   7          HD21      ASN   7  11.110   4.725   3.797
   68   HD22  ASN   7          HD22      ASN   7  11.213   5.672   2.393
   69    H    LEU   8           HN       LEU   8  11.971   0.150   4.168
   70    HA   LEU   8           HA       LEU   8  14.323   1.083   5.273
   71    HB2  LEU   8           HB2      LEU   8  12.604  -1.275   5.451
   72    HB3  LEU   8           HB1      LEU   8  14.291  -1.616   5.870
   73    HG   LEU   8           HG       LEU   8  14.251   0.225   7.509
   74   HD11  LEU   8          HD11      LEU   8  11.771   1.011   7.986
   75   HD12  LEU   8          HD12      LEU   8  11.535   0.604   6.288
   76   HD13  LEU   8          HD13      LEU   8  12.729   1.819   6.748
   77   HD21  LEU   8          HD21      LEU   8  13.522  -2.115   8.069
   78   HD22  LEU   8          HD22      LEU   8  11.856  -1.599   7.805
   79   HD23  LEU   8          HD23      LEU   8  12.808  -0.878   9.104
   80    H    LYS   9           HN       LYS   9  13.838  -1.796   3.314
   81    HA   LYS   9           HA       LYS   9  16.577  -2.450   2.971
   82    HB2  LYS   9           HB2      LYS   9  14.521  -3.165   0.915
   83    HB3  LYS   9           HB1      LYS   9  15.834  -4.150   1.562
   84    HG2  LYS   9           HG2      LYS   9  13.242  -3.400   2.956
   85    HG3  LYS   9           HG1      LYS   9  13.744  -5.008   2.456
   86    HD2  LYS   9           HD2      LYS   9  15.405  -5.139   4.136
   87    HD3  LYS   9           HD1      LYS   9  15.382  -3.402   4.425
   88    HE2  LYS   9           HE2      LYS   9  13.441  -3.491   5.694
   89    HE3  LYS   9           HE1      LYS   9  12.836  -4.916   4.850
   90    HZ1  LYS   9           HZ1      LYS   9  15.127  -4.891   6.746
   91    HZ2  LYS   9           HZ2      LYS   9  14.478  -6.259   5.978
   92    HZ3  LYS   9           HZ3      LYS   9  13.556  -5.412   7.124
   93    H    ALA  10           HN       ALA  10  14.221  -0.660   1.056
   94    HA   ALA  10           HA       ALA  10  15.742  -0.138  -1.214
   95    HB1  ALA  10           HB1      ALA  10  14.024   2.021  -0.077
   96    HB2  ALA  10           HB2      ALA  10  13.257   0.487  -0.481
   97    HB3  ALA  10           HB3      ALA  10  14.103   1.403  -1.725
   98    H    LEU  11           HN       LEU  11  15.485   1.637   1.840
   99    HA   LEU  11           HA       LEU  11  17.455   3.603   1.148
  100    HB2  LEU  11           HB2      LEU  11  16.250   2.764   3.799
  101    HB3  LEU  11           HB1      LEU  11  17.377   4.109   3.619
  102    HG   LEU  11           HG       LEU  11  14.838   3.929   1.976
  103   HD11  LEU  11          HD11      LEU  11  14.155   3.892   4.317
  104   HD12  LEU  11          HD12      LEU  11  13.841   5.491   3.639
  105   HD13  LEU  11          HD13      LEU  11  15.241   5.234   4.679
  106   HD21  LEU  11          HD21      LEU  11  16.990   5.927   2.505
  107   HD22  LEU  11          HD22      LEU  11  15.348   6.537   2.285
  108   HD23  LEU  11          HD23      LEU  11  16.111   5.582   1.016
  109    H    ALA  12           HN       ALA  12  17.410   0.606   3.019
  110    HA   ALA  12           HA       ALA  12  20.066   0.674   3.954
  111    HB1  ALA  12           HB1      ALA  12  18.738  -1.916   3.223
  112    HB2  ALA  12           HB2      ALA  12  18.087  -0.944   4.541
  113    HB3  ALA  12           HB3      ALA  12  19.747  -1.531   4.618
  114    H    ALA  13           HN       ALA  13  18.687  -0.374   0.885
  115    HA   ALA  13           HA       ALA  13  20.878  -1.801  -0.122
  116    HB1  ALA  13           HB1      ALA  13  18.770  -1.772  -1.320
  117    HB2  ALA  13           HB2      ALA  13  20.024  -1.115  -2.373
  118    HB3  ALA  13           HB3      ALA  13  18.891  -0.030  -1.571
  119    H    LEU  14           HN       LEU  14  20.235   1.654   0.064
  120    HA   LEU  14           HA       LEU  14  22.294   2.663  -1.536
  121    HB2  LEU  14           HB2      LEU  14  20.507   4.018  -0.475
  122    HB3  LEU  14           HB1      LEU  14  21.235   3.731   1.100
  123    HG   LEU  14           HG       LEU  14  22.972   4.869  -1.049
  124   HD11  LEU  14          HD11      LEU  14  21.162   6.313  -1.372
  125   HD12  LEU  14          HD12      LEU  14  22.101   7.152  -0.137
  126   HD13  LEU  14          HD13      LEU  14  20.669   6.229   0.318
  127   HD21  LEU  14          HD21      LEU  14  24.229   5.603   0.749
  128   HD22  LEU  14          HD22      LEU  14  23.412   4.270   1.557
  129   HD23  LEU  14          HD23      LEU  14  22.809   5.913   1.748
  130    H    ALA  15           HN       ALA  15  22.231   2.014   1.928
  131    HA   ALA  15           HA       ALA  15  24.871   2.566   2.569
  132    HB1  ALA  15           HB1      ALA  15  23.560   2.196   4.439
  133    HB2  ALA  15           HB2      ALA  15  24.430   0.664   4.348
  134    HB3  ALA  15           HB3      ALA  15  22.781   0.780   3.740
  135    H    LYS  16           HN       LYS  16  23.457  -0.554   1.595
  136    HA   LYS  16           HA       LYS  16  25.928  -1.962   1.666
  137    HB2  LYS  16           HB2      LYS  16  23.239  -2.507   0.442
  138    HB3  LYS  16           HB1      LYS  16  24.619  -3.517   0.015
  139    HG2  LYS  16           HG2      LYS  16  23.759  -4.648   1.876
  140    HG3  LYS  16           HG1      LYS  16  25.002  -3.641   2.604
  141    HD2  LYS  16           HD2      LYS  16  22.764  -1.989   2.570
  142    HD3  LYS  16           HD1      LYS  16  22.106  -3.566   2.983
  143    HE2  LYS  16           HE2      LYS  16  24.332  -2.080   4.402
  144    HE3  LYS  16           HE1      LYS  16  22.726  -2.434   5.038
  145    HZ1  LYS  16           HZ1      LYS  16  25.048  -4.104   4.937
  146    HZ2  LYS  16           HZ2      LYS  16  23.682  -4.871   4.275
  147    HZ3  LYS  16           HZ3      LYS  16  23.640  -4.271   5.864
  148    H    LYS  17           HN       LYS  17  24.357   0.069  -0.683
  149    HA   LYS  17           HA       LYS  17  25.838  -0.775  -2.962
  150    HB2  LYS  17           HB2      LYS  17  23.656   0.565  -2.896
  151    HB3  LYS  17           HB1      LYS  17  24.658   1.974  -2.581
  152    HG2  LYS  17           HG2      LYS  17  25.502   0.240  -4.851
  153    HG3  LYS  17           HG1      LYS  17  24.020   1.166  -5.086
  154    HD2  LYS  17           HD2      LYS  17  26.622   2.394  -4.114
  155    HD3  LYS  17           HD1      LYS  17  26.141   2.362  -5.806
  156    HE2  LYS  17           HE2      LYS  17  24.669   3.704  -3.523
  157    HE3  LYS  17           HE1      LYS  17  25.483   4.497  -4.869
  158    HZ1  LYS  17           HZ1      LYS  17  23.907   3.551  -6.389
  159    HZ2  LYS  17           HZ2      LYS  17  23.061   4.350  -5.155
  160    HZ3  LYS  17           HZ3      LYS  17  23.160   2.658  -5.154
  161    H    ILE  18           HN       ILE  18  26.265   2.029  -0.761
  162    HA   ILE  18           HA       ILE  18  28.858   2.527  -2.029
  163    HB   ILE  18           HB       ILE  18  28.768   4.687  -1.258
  164   HG12  ILE  18          HG12      ILE  18  28.649   3.924   1.178
  165   HG13  ILE  18          HG11      ILE  18  27.796   5.420   0.811
  166   HG21  ILE  18          HG21      ILE  18  26.512   5.521  -1.507
  167   HG22  ILE  18          HG22      ILE  18  25.832   3.943  -1.119
  168   HG23  ILE  18          HG23      ILE  18  26.733   4.171  -2.617
  169   HD11  ILE  18          HD11      ILE  18  26.436   3.892   2.219
  170   HD12  ILE  18          HD12      ILE  18  26.502   2.684   0.939
  171   HD13  ILE  18          HD13      ILE  18  25.677   4.214   0.663
  172    H    LEU  19           HN       LEU  19  27.585   1.000   0.739
  173    HA   LEU  19           HA       LEU  19  30.314   0.547   1.709
  174    HB2  LEU  19           HB2      LEU  19  28.315   2.238   2.991
  175    HB3  LEU  19           HB1      LEU  19  28.890   0.956   4.056
  176    HG   LEU  19           HG       LEU  19  30.885   2.533   2.454
  177   HD11  LEU  19          HD13      LEU  19  30.964   3.940   4.724
  178   HD12  LEU  19          HD11      LEU  19  29.256   3.502   4.772
  179   HD13  LEU  19          HD12      LEU  19  29.895   4.403   3.400
  180   HD21  LEU  19          HD21      LEU  19  30.849   1.089   5.118
  181   HD22  LEU  19          HD22      LEU  19  32.190   2.114   4.608
  182   HD23  LEU  19          HD23      LEU  19  31.774   0.678   3.674
  183    HN1  NH2  20           H1       LEU  19  28.283  -1.175   0.408
  184    HN2  NH2  20           H2       LEU  19  27.933  -2.403   1.523
  Start of MODEL    9
    1    H1   PHE   1           HT1      PHE   1   3.096   5.169  -3.138
    2    H2   PHE   1           HT2      PHE   1   4.139   4.153  -2.267
    3    H3   PHE   1           HT3      PHE   1   2.494   3.769  -2.403
    4    HA   PHE   1           HA       PHE   1   2.659   3.188  -4.625
    5    HB2  PHE   1           HB2      PHE   1   3.930   5.145  -5.357
    6    HB3  PHE   1           HB1      PHE   1   5.380   4.525  -4.569
    7    HD1  PHE   1           HD1      PHE   1   6.689   4.469  -6.642
    8    HD2  PHE   1           HD2      PHE   1   2.996   2.283  -6.301
    9    HE1  PHE   1           HE1      PHE   1   7.239   3.198  -8.702
   10    HE2  PHE   1           HE2      PHE   1   3.551   1.023  -8.350
   11    HZ   PHE   1           HZ       PHE   1   5.668   1.477  -9.555
   12    H    LEU   2           HN       LEU   2   5.595   3.099  -2.666
   13    HA   LEU   2           HA       LEU   2   5.785   0.185  -3.119
   14    HB2  LEU   2           HB2      LEU   2   7.800   2.339  -2.585
   15    HB3  LEU   2           HB1      LEU   2   8.138   0.712  -2.000
   16    HG   LEU   2           HG       LEU   2   9.029   1.262  -4.326
   17   HD11  LEU   2          HD11      LEU   2   8.512  -0.925  -5.205
   18   HD12  LEU   2          HD12      LEU   2   7.050  -1.030  -4.228
   19   HD13  LEU   2          HD13      LEU   2   8.634  -1.068  -3.452
   20   HD21  LEU   2          HD21      LEU   2   7.568   1.475  -6.149
   21   HD22  LEU   2          HD22      LEU   2   6.794   2.452  -4.903
   22   HD23  LEU   2          HD23      LEU   2   6.193   0.831  -5.251
   23    HA   PRO   3           HA       PRO   3   4.391  -0.374   1.034
   24    HB2  PRO   3           HB2      PRO   3   5.902  -2.666   1.629
   25    HB3  PRO   3           HB1      PRO   3   4.279  -2.633   0.927
   26    HG2  PRO   3           HG2      PRO   3   6.877  -3.052  -0.369
   27    HG3  PRO   3           HG1      PRO   3   5.278  -3.648  -0.830
   28    HD2  PRO   3           HD2      PRO   3   6.564  -1.615  -2.157
   29    HD3  PRO   3           HD1      PRO   3   4.793  -1.753  -2.074
   30    H    ILE   4           HN       ILE   4   5.038   0.246   3.010
   31    HA   ILE   4           HA       ILE   4   7.374   1.729   3.355
   32    HB   ILE   4           HB       ILE   4   5.969   0.499   5.711
   33   HG12  ILE   4          HG12      ILE   4   4.140   1.060   4.209
   34   HG13  ILE   4          HG11      ILE   4   4.240   2.324   5.432
   35   HG21  ILE   4          HG21      ILE   4   6.985   3.298   5.105
   36   HG22  ILE   4          HG22      ILE   4   7.862   2.085   6.038
   37   HG23  ILE   4          HG23      ILE   4   6.342   2.742   6.647
   38   HD11  ILE   4          HD11      ILE   4   5.825   3.500   3.695
   39   HD12  ILE   4          HD12      ILE   4   4.080   3.587   3.471
   40   HD13  ILE   4          HD13      ILE   4   5.032   2.434   2.535
   41    H    ILE   5           HN       ILE   5   7.025  -1.646   3.412
   42    HA   ILE   5           HA       ILE   5   9.074  -2.261   5.314
   43    HB   ILE   5           HB       ILE   5   8.304  -4.081   3.043
   44   HG12  ILE   5          HG12      ILE   5   6.182  -3.138   3.843
   45   HG13  ILE   5          HG11      ILE   5   6.346  -4.795   4.418
   46   HG21  ILE   5          HG21      ILE   5   8.991  -5.765   4.460
   47   HG22  ILE   5          HG22      ILE   5   8.501  -4.889   5.913
   48   HG23  ILE   5          HG23      ILE   5  10.001  -4.460   5.086
   49   HD11  ILE   5          HD11      ILE   5   5.736  -3.765   6.392
   50   HD12  ILE   5          HD12      ILE   5   6.490  -2.234   5.945
   51   HD13  ILE   5          HD13      ILE   5   7.488  -3.581   6.497
   52    H    ILE   6           HN       ILE   6   8.986  -1.869   1.798
   53    HA   ILE   6           HA       ILE   6  11.667  -2.700   1.378
   54    HB   ILE   6           HB       ILE   6  10.433  -0.816  -0.553
   55   HG12  ILE   6          HG12      ILE   6   8.442  -1.998   0.170
   56   HG13  ILE   6          HG11      ILE   6   8.939  -2.660  -1.386
   57   HG21  ILE   6          HG21      ILE   6  11.745  -3.547  -0.756
   58   HG22  ILE   6          HG22      ILE   6  12.505  -1.992  -1.101
   59   HG23  ILE   6          HG23      ILE   6  11.203  -2.585  -2.130
   60   HD11  ILE   6          HD11      ILE   6   9.924  -3.924   1.167
   61   HD12  ILE   6          HD12      ILE   6   9.748  -4.641  -0.430
   62   HD13  ILE   6          HD13      ILE   6   8.321  -4.313   0.550
   63    H    ASN   7           HN       ASN   7  10.293   0.221   2.513
   64    HA   ASN   7           HA       ASN   7  12.162   2.119   1.615
   65    HB2  ASN   7           HB2      ASN   7  10.586   1.940   4.188
   66    HB3  ASN   7           HB1      ASN   7  11.618   3.316   3.805
   67   HD21  ASN   7          HD21      ASN   7   8.799   3.644   4.077
   68   HD22  ASN   7          HD22      ASN   7   8.135   3.990   2.553
   69    H    LEU   8           HN       LEU   8  12.215  -0.049   4.399
   70    HA   LEU   8           HA       LEU   8  14.664   0.801   5.537
   71    HB2  LEU   8           HB2      LEU   8  13.240  -1.866   5.557
   72    HB3  LEU   8           HB1      LEU   8  14.706  -1.556   6.476
   73    HG   LEU   8           HG       LEU   8  13.630  -0.143   7.971
   74   HD11  LEU   8          HD11      LEU   8  11.420   0.301   5.936
   75   HD12  LEU   8          HD12      LEU   8  12.745   1.425   6.250
   76   HD13  LEU   8          HD13      LEU   8  11.562   1.086   7.508
   77   HD21  LEU   8          HD21      LEU   8  11.301  -1.125   8.371
   78   HD22  LEU   8          HD22      LEU   8  12.635  -2.276   8.334
   79   HD23  LEU   8          HD23      LEU   8  11.579  -2.107   6.934
   80    H    LYS   9           HN       LYS   9  13.831  -1.725   3.223
   81    HA   LYS   9           HA       LYS   9  16.465  -2.696   2.807
   82    HB2  LYS   9           HB2      LYS   9  14.341  -2.804   0.682
   83    HB3  LYS   9           HB1      LYS   9  15.547  -4.019   1.108
   84    HG2  LYS   9           HG2      LYS   9  13.187  -3.227   2.860
   85    HG3  LYS   9           HG1      LYS   9  13.255  -4.667   1.853
   86    HD2  LYS   9           HD2      LYS   9  14.667  -5.761   3.275
   87    HD3  LYS   9           HD1      LYS   9  15.559  -4.296   3.677
   88    HE2  LYS   9           HE2      LYS   9  13.393  -3.601   4.953
   89    HE3  LYS   9           HE1      LYS   9  12.972  -5.306   4.861
   90    HZ1  LYS   9           HZ1      LYS   9  15.046  -3.982   6.411
   91    HZ2  LYS   9           HZ2      LYS   9  15.489  -5.466   5.707
   92    HZ3  LYS   9           HZ3      LYS   9  14.160  -5.384   6.756
   93    H    ALA  10           HN       ALA  10  14.448  -0.308   1.203
   94    HA   ALA  10           HA       ALA  10  16.049   0.332  -0.979
   95    HB1  ALA  10           HB1      ALA  10  14.834   2.402  -1.040
   96    HB2  ALA  10           HB2      ALA  10  14.464   2.302   0.681
   97    HB3  ALA  10           HB3      ALA  10  13.720   1.169  -0.449
   98    H    LEU  11           HN       LEU  11  16.073   1.641   2.319
   99    HA   LEU  11           HA       LEU  11  18.290   3.384   1.856
  100    HB2  LEU  11           HB2      LEU  11  16.632   2.555   4.143
  101    HB3  LEU  11           HB1      LEU  11  18.306   2.909   4.561
  102    HG   LEU  11           HG       LEU  11  18.127   5.100   3.408
  103   HD11  LEU  11          HD11      LEU  11  15.368   4.046   2.842
  104   HD12  LEU  11          HD12      LEU  11  16.505   4.826   1.741
  105   HD13  LEU  11          HD13      LEU  11  15.651   5.780   2.952
  106   HD21  LEU  11          HD21      LEU  11  17.002   6.178   5.157
  107   HD22  LEU  11          HD22      LEU  11  17.360   4.612   5.887
  108   HD23  LEU  11          HD23      LEU  11  15.750   4.940   5.245
  109    H    ALA  12           HN       ALA  12  17.910   0.167   3.309
  110    HA   ALA  12           HA       ALA  12  20.600  -0.242   4.018
  111    HB1  ALA  12           HB1      ALA  12  18.544  -1.690   4.584
  112    HB2  ALA  12           HB2      ALA  12  20.057  -2.529   4.248
  113    HB3  ALA  12           HB3      ALA  12  18.802  -2.449   3.014
  114    H    ALA  13           HN       ALA  13  18.849  -0.960   1.013
  115    HA   ALA  13           HA       ALA  13  20.982  -2.183  -0.361
  116    HB1  ALA  13           HB1      ALA  13  18.608  -2.137  -1.156
  117    HB2  ALA  13           HB2      ALA  13  19.765  -1.650  -2.396
  118    HB3  ALA  13           HB3      ALA  13  18.814  -0.430  -1.546
  119    H    LEU  14           HN       LEU  14  19.961   1.198  -0.084
  120    HA   LEU  14           HA       LEU  14  21.909   2.341  -1.760
  121    HB2  LEU  14           HB2      LEU  14  19.927   3.533  -0.865
  122    HB3  LEU  14           HB1      LEU  14  20.629   3.470   0.748
  123    HG   LEU  14           HG       LEU  14  22.249   4.657  -1.478
  124   HD11  LEU  14          HD11      LEU  14  20.107   5.731  -1.753
  125   HD12  LEU  14          HD12      LEU  14  21.167   6.856  -0.898
  126   HD13  LEU  14          HD13      LEU  14  19.940   5.946  -0.012
  127   HD21  LEU  14          HD21      LEU  14  23.338   4.445   0.679
  128   HD22  LEU  14          HD22      LEU  14  21.942   5.124   1.508
  129   HD23  LEU  14          HD23      LEU  14  22.930   6.148   0.469
  130    H    ALA  15           HN       ALA  15  21.829   1.995   1.765
  131    HA   ALA  15           HA       ALA  15  24.406   2.899   2.347
  132    HB1  ALA  15           HB1      ALA  15  24.206   1.473   4.414
  133    HB2  ALA  15           HB2      ALA  15  22.701   0.834   3.751
  134    HB3  ALA  15           HB3      ALA  15  22.838   2.549   4.133
  135    H    LYS  16           HN       LYS  16  23.326  -0.451   1.748
  136    HA   LYS  16           HA       LYS  16  25.939  -1.560   2.022
  137    HB2  LYS  16           HB2      LYS  16  23.279  -2.547   1.128
  138    HB3  LYS  16           HB1      LYS  16  24.695  -3.455   0.601
  139    HG2  LYS  16           HG2      LYS  16  24.196  -4.466   2.655
  140    HG3  LYS  16           HG1      LYS  16  25.446  -3.302   3.094
  141    HD2  LYS  16           HD2      LYS  16  23.084  -1.831   3.262
  142    HD3  LYS  16           HD1      LYS  16  22.637  -3.400   3.912
  143    HE2  LYS  16           HE2      LYS  16  24.590  -1.401   4.945
  144    HE3  LYS  16           HE1      LYS  16  23.446  -2.407   5.826
  145    HZ1  LYS  16           HZ1      LYS  16  26.172  -2.950   5.077
  146    HZ2  LYS  16           HZ2      LYS  16  25.114  -4.225   4.715
  147    HZ3  LYS  16           HZ3      LYS  16  25.228  -3.638   6.305
  148    H    LYS  17           HN       LYS  17  24.390   0.116  -0.556
  149    HA   LYS  17           HA       LYS  17  25.857  -1.100  -2.699
  150    HB2  LYS  17           HB2      LYS  17  23.673   0.092  -2.980
  151    HB3  LYS  17           HB1      LYS  17  24.514   1.611  -2.665
  152    HG2  LYS  17           HG2      LYS  17  26.041   0.210  -4.615
  153    HG3  LYS  17           HG1      LYS  17  24.360   0.121  -5.127
  154    HD2  LYS  17           HD2      LYS  17  25.808   2.680  -4.366
  155    HD3  LYS  17           HD1      LYS  17  25.485   2.158  -6.017
  156    HE2  LYS  17           HE2      LYS  17  23.543   3.078  -3.911
  157    HE3  LYS  17           HE1      LYS  17  23.692   3.620  -5.582
  158    HZ1  LYS  17           HZ1      LYS  17  22.889   1.439  -6.297
  159    HZ2  LYS  17           HZ2      LYS  17  21.760   2.216  -5.294
  160    HZ3  LYS  17           HZ3      LYS  17  22.719   0.962  -4.682
  161    H    ILE  18           HN       ILE  18  26.203   1.985  -0.922
  162    HA   ILE  18           HA       ILE  18  28.761   2.417  -2.281
  163    HB   ILE  18           HB       ILE  18  28.643   4.660  -1.655
  164   HG12  ILE  18          HG12      ILE  18  28.151   4.064   0.816
  165   HG13  ILE  18          HG11      ILE  18  27.460   5.556   0.194
  166   HG21  ILE  18          HG21      ILE  18  26.909   4.178  -3.266
  167   HG22  ILE  18          HG22      ILE  18  26.251   5.325  -2.097
  168   HG23  ILE  18          HG23      ILE  18  25.816   3.620  -2.000
  169   HD11  ILE  18          HD11      ILE  18  25.342   4.253  -0.306
  170   HD12  ILE  18          HD12      ILE  18  25.714   4.453   1.403
  171   HD13  ILE  18          HD13      ILE  18  26.039   2.917   0.608
  172    H    LEU  19           HN       LEU  19  27.678   1.082   0.637
  173    HA   LEU  19           HA       LEU  19  30.427   1.008   1.617
  174    HB2  LEU  19           HB2      LEU  19  28.380   2.740   2.733
  175    HB3  LEU  19           HB1      LEU  19  28.989   1.602   3.935
  176    HG   LEU  19           HG       LEU  19  30.754   3.336   2.179
  177   HD11  LEU  19          HD13      LEU  19  29.840   4.905   3.636
  178   HD12  LEU  19          HD11      LEU  19  31.208   4.333   4.589
  179   HD13  LEU  19          HD12      LEU  19  29.587   3.720   4.916
  180   HD21  LEU  19          HD21      LEU  19  31.226   1.273   4.302
  181   HD22  LEU  19          HD22      LEU  19  32.345   2.628   4.174
  182   HD23  LEU  19          HD23      LEU  19  32.108   1.553   2.799
  183    HN1  NH2  20           H1       LEU  19  27.064   0.168   2.602
  184    HN2  NH2  20           H2       LEU  19  27.463  -1.413   3.085
  Start of MODEL   10
    1    H1   PHE   1           HT1      PHE   1   4.746   4.030  -4.466
    2    H2   PHE   1           HT2      PHE   1   3.301   4.561  -3.759
    3    H3   PHE   1           HT3      PHE   1   3.366   4.247  -5.419
    4    HA   PHE   1           HA       PHE   1   2.431   2.525  -3.616
    5    HB2  PHE   1           HB2      PHE   1   2.697   0.830  -5.402
    6    HB3  PHE   1           HB1      PHE   1   2.180   2.375  -6.073
    7    HD1  PHE   1           HD1      PHE   1   3.899   3.892  -7.169
    8    HD2  PHE   1           HD2      PHE   1   4.793  -0.143  -5.979
    9    HE1  PHE   1           HE1      PHE   1   5.910   3.905  -8.617
   10    HE2  PHE   1           HE2      PHE   1   6.803  -0.125  -7.429
   11    HZ   PHE   1           HZ       PHE   1   7.360   1.899  -8.751
   12    H    LEU   2           HN       LEU   2   5.104   3.517  -2.731
   13    HA   LEU   2           HA       LEU   2   6.509   0.946  -2.391
   14    HB2  LEU   2           HB2      LEU   2   7.425   3.773  -2.620
   15    HB3  LEU   2           HB1      LEU   2   8.325   2.717  -1.531
   16    HG   LEU   2           HG       LEU   2   9.278   2.688  -3.820
   17   HD11  LEU   2          HD11      LEU   2   9.815   0.511  -3.577
   18   HD12  LEU   2          HD12      LEU   2   8.142  -0.015  -3.778
   19   HD13  LEU   2          HD13      LEU   2   8.717   0.514  -2.196
   20   HD21  LEU   2          HD21      LEU   2   8.058   2.092  -5.712
   21   HD22  LEU   2          HD22      LEU   2   6.854   3.000  -4.802
   22   HD23  LEU   2          HD23      LEU   2   6.826   1.239  -4.781
   23    HA   PRO   3           HA       PRO   3   4.617   1.523   1.738
   24    HB2  PRO   3           HB2      PRO   3   5.559  -1.029   2.521
   25    HB3  PRO   3           HB1      PRO   3   3.917  -0.606   2.012
   26    HG2  PRO   3           HG2      PRO   3   6.025  -1.993   0.544
   27    HG3  PRO   3           HG1      PRO   3   4.282  -1.960   0.263
   28    HD2  PRO   3           HD2      PRO   3   6.166  -0.663  -1.312
   29    HD3  PRO   3           HD1      PRO   3   4.440  -0.246  -1.251
   30    H    ILE   4           HN       ILE   4   5.551   1.782   3.812
   31    HA   ILE   4           HA       ILE   4   8.091   2.873   3.926
   32    HB   ILE   4           HB       ILE   4   6.886   1.592   6.353
   33   HG12  ILE   4          HG12      ILE   4   4.951   2.537   5.213
   34   HG13  ILE   4          HG11      ILE   4   5.413   3.627   6.515
   35   HG21  ILE   4          HG21      ILE   4   7.569   4.307   6.703
   36   HG22  ILE   4          HG22      ILE   4   8.855   3.608   5.721
   37   HG23  ILE   4          HG23      ILE   4   8.461   2.897   7.284
   38   HD11  ILE   4          HD11      ILE   4   6.748   4.944   4.816
   39   HD12  ILE   4          HD12      ILE   4   5.003   4.985   4.573
   40   HD13  ILE   4          HD13      ILE   4   6.007   3.948   3.562
   41    H    ILE   5           HN       ILE   5   7.155  -0.454   4.159
   42    HA   ILE   5           HA       ILE   5   9.464  -1.429   5.494
   43    HB   ILE   5           HB       ILE   5   7.948  -3.013   3.420
   44   HG12  ILE   5          HG12      ILE   5   6.257  -1.846   4.807
   45   HG13  ILE   5          HG11      ILE   5   6.298  -3.564   5.192
   46   HG21  ILE   5          HG21      ILE   5   9.572  -3.571   5.898
   47   HG22  ILE   5          HG22      ILE   5   9.645  -4.351   4.316
   48   HG23  ILE   5          HG23      ILE   5   8.315  -4.711   5.417
   49   HD11  ILE   5          HD11      ILE   5   6.418  -2.778   7.335
   50   HD12  ILE   5          HD12      ILE   5   7.128  -1.239   6.841
   51   HD13  ILE   5          HD13      ILE   5   8.138  -2.682   6.954
   52    H    ILE   6           HN       ILE   6   8.773  -0.673   2.121
   53    HA   ILE   6           HA       ILE   6  11.070  -1.974   1.082
   54    HB   ILE   6           HB       ILE   6   9.835   0.365  -0.313
   55   HG12  ILE   6          HG12      ILE   6   7.838  -0.664   0.428
   56   HG13  ILE   6          HG11      ILE   6   8.110  -1.379  -1.159
   57   HG21  ILE   6          HG21      ILE   6   9.984  -1.776  -2.028
   58   HG22  ILE   6          HG22      ILE   6  11.339  -2.091  -0.946
   59   HG23  ILE   6          HG23      ILE   6  11.250  -0.568  -1.827
   60   HD11  ILE   6          HD11      ILE   6   7.738  -3.310   0.031
   61   HD12  ILE   6          HD12      ILE   6   8.322  -2.630   1.543
   62   HD13  ILE   6          HD13      ILE   6   9.468  -3.165   0.311
   63    H    ASN   7           HN       ASN   7  10.531   1.055   2.625
   64    HA   ASN   7           HA       ASN   7  12.691   2.562   1.633
   65    HB2  ASN   7           HB2      ASN   7  11.294   2.527   4.306
   66    HB3  ASN   7           HB1      ASN   7  12.678   3.571   4.021
   67   HD21  ASN   7          HD21      ASN   7  10.170   4.743   4.558
   68   HD22  ASN   7          HD22      ASN   7   9.600   5.497   3.147
   69    H    LEU   8           HN       LEU   8  12.485   0.204   4.246
   70    HA   LEU   8           HA       LEU   8  15.067   0.365   5.282
   71    HB2  LEU   8           HB2      LEU   8  13.189  -1.970   4.917
   72    HB3  LEU   8           HB1      LEU   8  14.720  -2.115   5.770
   73    HG   LEU   8           HG       LEU   8  14.017  -0.551   7.462
   74   HD11  LEU   8          HD11      LEU   8  11.713   0.471   7.343
   75   HD12  LEU   8          HD12      LEU   8  11.593  -0.102   5.682
   76   HD13  LEU   8          HD13      LEU   8  12.817   1.092   6.120
   77   HD21  LEU   8          HD21      LEU   8  11.989  -1.708   8.311
   78   HD22  LEU   8          HD22      LEU   8  13.180  -2.850   7.693
   79   HD23  LEU   8          HD23      LEU   8  11.763  -2.447   6.726
   80    H    LYS   9           HN       LYS   9  13.772  -1.697   2.733
   81    HA   LYS   9           HA       LYS   9  16.240  -2.877   1.979
   82    HB2  LYS   9           HB2      LYS   9  14.039  -2.535  -0.016
   83    HB3  LYS   9           HB1      LYS   9  15.043  -3.948   0.310
   84    HG2  LYS   9           HG2      LYS   9  12.770  -2.896   2.035
   85    HG3  LYS   9           HG1      LYS   9  12.757  -4.370   1.070
   86    HD2  LYS   9           HD2      LYS   9  14.272  -5.474   2.499
   87    HD3  LYS   9           HD1      LYS   9  14.851  -3.968   3.211
   88    HE2  LYS   9           HE2      LYS   9  13.166  -3.908   4.738
   89    HE3  LYS   9           HE1      LYS   9  11.960  -4.392   3.557
   90    HZ1  LYS   9           HZ1      LYS   9  13.028  -6.673   3.721
   91    HZ2  LYS   9           HZ2      LYS   9  12.074  -6.158   5.026
   92    HZ3  LYS   9           HZ3      LYS   9  13.769  -6.107   5.131
   93    H    ALA  10           HN       ALA  10  14.365  -0.143   0.823
   94    HA   ALA  10           HA       ALA  10  15.937   0.602  -1.377
   95    HB1  ALA  10           HB1      ALA  10  13.641   1.500  -0.448
   96    HB2  ALA  10           HB2      ALA  10  14.705   2.578  -1.349
   97    HB3  ALA  10           HB3      ALA  10  14.666   2.650   0.414
   98    H    LEU  11           HN       LEU  11  16.097   1.584   2.035
   99    HA   LEU  11           HA       LEU  11  18.337   3.302   1.775
  100    HB2  LEU  11           HB2      LEU  11  16.676   2.944   3.784
  101    HB3  LEU  11           HB1      LEU  11  17.826   1.698   4.268
  102    HG   LEU  11           HG       LEU  11  19.628   3.559   3.883
  103   HD11  LEU  11          HD11      LEU  11  17.631   5.535   4.757
  104   HD12  LEU  11          HD12      LEU  11  17.406   4.999   3.093
  105   HD13  LEU  11          HD13      LEU  11  18.945   5.700   3.595
  106   HD21  LEU  11          HD21      LEU  11  19.188   4.428   6.225
  107   HD22  LEU  11          HD22      LEU  11  19.212   2.671   6.089
  108   HD23  LEU  11          HD23      LEU  11  17.675   3.525   6.201
  109    H    ALA  12           HN       ALA  12  18.013  -0.122   2.653
  110    HA   ALA  12           HA       ALA  12  20.739  -0.666   3.051
  111    HB1  ALA  12           HB1      ALA  12  20.074  -3.043   2.387
  112    HB2  ALA  12           HB2      ALA  12  18.451  -2.411   2.118
  113    HB3  ALA  12           HB3      ALA  12  19.168  -2.338   3.727
  114    H    ALA  13           HN       ALA  13  18.726  -0.799   0.112
  115    HA   ALA  13           HA       ALA  13  20.686  -1.795  -1.640
  116    HB1  ALA  13           HB1      ALA  13  18.914   0.251  -2.803
  117    HB2  ALA  13           HB2      ALA  13  18.063  -1.013  -1.913
  118    HB3  ALA  13           HB3      ALA  13  19.128  -1.443  -3.252
  119    H    LEU  14           HN       LEU  14  20.031   1.432  -0.447
  120    HA   LEU  14           HA       LEU  14  21.927   2.748  -2.170
  121    HB2  LEU  14           HB2      LEU  14  19.862   3.790  -1.155
  122    HB3  LEU  14           HB1      LEU  14  20.670   3.711   0.408
  123    HG   LEU  14           HG       LEU  14  21.942   5.077  -1.964
  124   HD11  LEU  14          HD11      LEU  14  20.333   6.650  -1.810
  125   HD12  LEU  14          HD12      LEU  14  20.990   7.035  -0.219
  126   HD13  LEU  14          HD13      LEU  14  19.649   5.901  -0.368
  127   HD21  LEU  14          HD21      LEU  14  22.670   6.323   0.409
  128   HD22  LEU  14          HD22      LEU  14  23.635   5.122  -0.449
  129   HD23  LEU  14          HD23      LEU  14  22.574   4.624   0.868
  130    H    ALA  15           HN       ALA  15  21.721   2.096   1.313
  131    HA   ALA  15           HA       ALA  15  24.276   2.980   2.024
  132    HB1  ALA  15           HB1      ALA  15  22.562   0.866   3.335
  133    HB2  ALA  15           HB2      ALA  15  22.533   2.597   3.670
  134    HB3  ALA  15           HB3      ALA  15  23.961   1.645   4.080
  135    H    LYS  16           HN       LYS  16  23.236  -0.322   1.147
  136    HA   LYS  16           HA       LYS  16  25.640  -1.591   1.775
  137    HB2  LYS  16           HB2      LYS  16  23.310  -2.253   0.094
  138    HB3  LYS  16           HB1      LYS  16  24.796  -3.129  -0.264
  139    HG2  LYS  16           HG2      LYS  16  23.462  -4.324   1.424
  140    HG3  LYS  16           HG1      LYS  16  24.993  -3.785   2.100
  141    HD2  LYS  16           HD2      LYS  16  22.795  -1.828   2.379
  142    HD3  LYS  16           HD1      LYS  16  22.518  -3.334   3.234
  143    HE2  LYS  16           HE2      LYS  16  24.646  -1.265   3.672
  144    HE3  LYS  16           HE1      LYS  16  23.652  -2.118   4.848
  145    HZ1  LYS  16           HZ1      LYS  16  26.180  -2.888   3.656
  146    HZ2  LYS  16           HZ2      LYS  16  25.025  -4.142   3.769
  147    HZ3  LYS  16           HZ3      LYS  16  25.510  -3.292   5.162
  148    H    LYS  17           HN       LYS  17  25.044   0.585  -0.827
  149    HA   LYS  17           HA       LYS  17  27.053  -0.434  -2.605
  150    HB2  LYS  17           HB2      LYS  17  25.593   2.178  -2.330
  151    HB3  LYS  17           HB1      LYS  17  26.989   2.058  -3.397
  152    HG2  LYS  17           HG2      LYS  17  25.919   0.158  -4.581
  153    HG3  LYS  17           HG1      LYS  17  24.503   0.315  -3.538
  154    HD2  LYS  17           HD2      LYS  17  25.491   2.717  -5.051
  155    HD3  LYS  17           HD1      LYS  17  24.531   1.501  -5.896
  156    HE2  LYS  17           HE2      LYS  17  23.682   2.793  -3.291
  157    HE3  LYS  17           HE1      LYS  17  23.206   3.399  -4.877
  158    HZ1  LYS  17           HZ1      LYS  17  21.479   2.009  -4.367
  159    HZ2  LYS  17           HZ2      LYS  17  22.453   0.880  -3.554
  160    HZ3  LYS  17           HZ3      LYS  17  22.476   0.966  -5.258
  161    H    ILE  18           HN       ILE  18  26.912   2.083  -0.149
  162    HA   ILE  18           HA       ILE  18  29.806   2.468  -0.307
  163    HB   ILE  18           HB       ILE  18  29.425   4.457   1.022
  164   HG12  ILE  18          HG12      ILE  18  27.203   2.990   1.998
  165   HG13  ILE  18          HG11      ILE  18  27.692   4.614   2.472
  166   HG21  ILE  18          HG21      ILE  18  27.854   5.628  -0.493
  167   HG22  ILE  18          HG22      ILE  18  27.269   4.075  -1.085
  168   HG23  ILE  18          HG23      ILE  18  28.932   4.567  -1.397
  169   HD11  ILE  18          HD11      ILE  18  25.824   3.914   0.179
  170   HD12  ILE  18          HD12      ILE  18  26.344   5.545   0.607
  171   HD13  ILE  18          HD13      ILE  18  25.353   4.618   1.727
  172    H    LEU  19           HN       LEU  19  27.815   0.383   1.214
  173    HA   LEU  19           HA       LEU  19  29.767  -0.124   3.318
  174    HB2  LEU  19           HB2      LEU  19  27.158   1.109   3.783
  175    HB3  LEU  19           HB1      LEU  19  27.401  -0.356   4.738
  176    HG   LEU  19           HG       LEU  19  29.648   1.626   4.598
  177   HD11  LEU  19          HD13      LEU  19  27.323   1.942   6.512
  178   HD12  LEU  19          HD11      LEU  19  27.496   2.906   5.047
  179   HD13  LEU  19          HD12      LEU  19  28.712   3.012   6.320
  180   HD21  LEU  19          HD21      LEU  19  28.565   0.090   6.966
  181   HD22  LEU  19          HD22      LEU  19  30.193   0.727   6.724
  182   HD23  LEU  19          HD23      LEU  19  29.642  -0.663   5.789
  183    HN1  NH2  20           H1       LEU  19  29.967  -2.033   1.784
  184    HN2  NH2  20           H2       LEU  19  28.862  -3.314   1.951