*HEADER    CIRCADIAN CLOCK PROTEIN                 13-AUG-03   1Q6A              
*TITLE     SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF                        
*TITLE    2 THERMOSYNECHOCOCCUS ELONGATUS KAIA (THKAIA180C); AVERAGED            
*TITLE    3 MINIMIZED STRUCTURE                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CIRCADIAN CLOCK PROTEIN KAIA HOMOLOG;                      
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 FRAGMENT: C-TERMINAL DOMAIN (THKAIA180C);                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS ELONGATUS BP-1;             
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: KAIA;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET-32A                                   
*KEYWDS    ALL ALPHA-HELIX PROTEIN, HOMODIMER                                    
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    I.VAKONAKIS, J.SUN, S.S.GOLDEN, A.HOLZENBURG, A.C.LIWANG              
*REVDAT   1   19-AUG-03 1Q6A    0                                                

! pck2xplr.nawk Table; Input File: c13c12noe-3.PCK
!   Date: Wed Jul 30 17:42:22 CDT 2003
!   Path: /home/vakon/NMR_data/KaiA/Th180C/Structure/analysis/noe
!
!@ BEGIN_XPLR_PCK_SUM
! LBL   File-Name                   All   Intra  Seq.  Short   Long
! A   c13c12noe-3.PCK                32     1     11      7     13
!    Total                           32     1     11      7     13

!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE


! SEGID a
! F47
assign (resid  47 and name  HE# ) (resid 303 and name HD1# )  3.0  1.2  0.8 ! A.98   at 1.32e+07

! S52
assign (resid  52 and name   HA ) (resid 300 and name  HD1 )  4.0  2.2  1.0 ! A.75   at -1.00e+07
assign (resid  52 and name   HA ) (resid 300 and name  HD2 )  4.0  2.2  1.0 ! A.76   at -9.64e+06

! V53
assign (resid  53 and name HG2# ) (resid  293 and name  HB# )  3.0  1.2  1.3 ! A.17   at 1.22e+07
assign (resid  53 and name HG2# ) (resid  293 and name   HA )  3.0  1.2  0.8 ! A.15   at 1.86e+07
assign (resid  53 and name HG1# ) (resid  293 and name   HA )  2.5  0.7  0.7 ! A.70   at 3.04e+07
assign (resid  53 and name HG1# ) (resid  293 and name  HB# )  2.5  0.7  1.2 ! A.72   at 3.08e+07
assign (resid  53 and name   HB ) (resid  293 and name  HB# )  4.0  2.2  1.5 ! A.11   at 8.23e+06
assign (resid  53 and name   HB ) (resid  293 and name   HA )  4.0  2.2  1.0 ! A.42   at 5.47e+06
assign (resid  53 and name HG2# ) (resid  296 and name  HB1 )  4.0  2.2  1.5 ! A.16   at 9.99e+06
assign (resid  53 and name HG2# ) (resid  296 and name  HB2 )  4.0  2.2  1.5 ! A.118   at 7.49e+06
assign (resid  53 and name HG2# ) (resid  297 and name   HA )  3.0  1.2  0.8 ! A.74   at 1.32e+07
assign (resid  53 and name HG2# ) (resid  297 and name  HB2 )  4.0  2.2  1.5 ! A.117   at 6.32e+06
assign (resid  53 and name HG2# ) (resid  297 and name  HG2 )  4.0  2.2  1.5 ! A.119   at 4.91e+06

! L57
assign (resid  57 and name  HB1 ) (resid  286 and name HD2# )  4.0  2.2  1.5 ! A.127  at 6.84e+06
assign (resid  57 and name   HG ) (resid  289 and name HG2# )  4.0  2.2  1.5 ! A.111  at 6.45e+06
assign (resid  57 and name HD1# ) (resid  293 and name  HB# )  2.5  0.7  1.2 ! A.19   at 2.66e+07
assign (resid  57 and name HD2# ) (resid  293 and name  HB# )  2.5  0.7  1.2 ! A.8    at 3.53e+07

! R85
assign (resid  85 and name   HA ) (resid  289 and name HD1# )  3.0  1.2  0.8 ! A.26   at 1.09e+07

! L86
assign (resid  86 and name   HA ) (resid  289 and name HD1# )  4.0  2.2  1.5 ! A.27   at 8.63e+06

! L88
assign (resid  88 and name   HG ) (resid  289 and name HD1# )  4.0  2.2  1.5 ! A.104  at 8.18e+06
assign (resid  88 and name HD1# ) (resid  289 and name HG2# )  3.0  1.2  1.3 ! A.87   at 1.69e+07
assign (resid  88 and name HD1# ) (resid  289 and name HD1# )  3.0  1.2  1.3 ! A.80   at 2.36e+07

! I89
assign (resid  89 and name HD1#  or resid 89 and name HG2# ) (resid  289 and name   HA )  3.0  1.2  0.8 ! A.81   at 1.07e+07
assign (resid  89 and name HG2# ) (resid  289 and name HG11 ) 4.0 2.2 1.5 ! A.125 at 4.62e+06
assign (resid 89 and name HD1# ) (resid 289 and name HG11 ) 4.0 2.2 1.5 ! A.134 at -9.61e+06
assign (resid 89 and name HD1# ) (resid 289 and name HD1# ) 2.5 0.7 1.2 ! A.130 at 4.94e+07
assign (resid 89 and name HD1# ) (resid 289 and name HB ) 4.0 2.2 1.5 ! A.129 at 1.07e+07 (widened1)

! I92
assign (resid  92 and name HD1# ) (resid  292 and name HG11 )  4.0  2.2  1.5 ! A.131   at 9.61e+06
assign (resid  92 and name HD1# ) (resid  292 and name   HB )  4.0  2.2  1.5 ! A.128   at 8.54e+06
assign (resid  92 and name HG2# ) (resid  293 and name   HA )  4.0  2.2  1.5 ! A.88   at 7.24e+06
assign (resid  92 and name HG2# ) (resid  293 and name  HB# )  3.0  1.2  1.3 ! A.108  at 1.14e+07
assign (resid  92 and name HD1# or resid 89 and name HG2# ) (resid  293 and name  HB# )  3.0  1.2  1.3 ! A.124  at 1.37e+07
assign (resid  92 and name HD1# ) (resid  293 and name   HA )  4.0  2.2  1.5 ! A.44   at 4.87e+06

! Y99
assign (resid  99 and name  HE# ) (resid 300 and name  HG# )  4.0  2.2  1.5 ! A.79   at 9.49e+06
assign (resid  99 and name  HE# ) (resid 303 and name HD1# )  4.0  2.2  1.5 ! A.78   at 6.52e+06
assign (resid  99 and name  HD# ) (resid 303 and name HG2# )  4.0  2.2  1.5 ! A.90   at 8.32e+06
assign (resid  99 and name   HA ) (resid 303 and name HD1# )  3.0  1.2  0.8 ! A.30   at 1.60e+07
assign (resid  99 and name  HD# ) (resid 303 and name HD1# )  2.5  0.7  0.7 ! A.32   at 2.62e+07

! S102
assign (resid 102 and name  HB# ) (resid 303 and name HG2# )  3.0  1.2  1.3 ! A.62   at 1.26e+07
assign (resid 102 and name   HA ) (resid 303 and name HG2# )  4.0  2.2  1.5 ! A.63   at 8.90e+06
assign (resid 102 and name  HB# ) (resid 303 and name HD1# )  3.0  1.2  1.3 ! A.38   at 1.58e+07
assign (resid 102 and name  HB# ) (resid 303 and name HG12 )  4.0  2.2  1.0 ! A.113  at 5.97e+06

! I103
assign (resid 103 and name HG11 ) (resid 303 and name HG12 )  4.0  2.2  1.0 ! A.110  at 6.64e+06
assign (resid 103 and name HD1# ) (resid 303 and name HA )  4.0  2.2  1.5 ! A.133  at 7.37e+06

! SEGID b
! F47
assign (resid 247 and name HE# ) (resid 103 and name HD1# ) 3.0 1.2 0.8 ! A.98 at 1.32e+07

! S52
assign (resid 252 and name HA ) (resid 100 and name HD1 ) 4.0 2.2 1.0 ! A.75 at -1.00e+07
assign (resid 252 and name HA ) (resid 100 and name HD2 ) 4.0 2.2 1.0 ! A.76 at -9.64e+06

! V53
assign (resid 253 and name HG2# ) (resid 93 and name HB# ) 3.0 1.2 1.3 ! A.17 at 1.22e+07
assign (resid 253 and name HG2# ) (resid 93 and name HA ) 3.0 1.2 0.8 ! A.15 at 1.86e+07
assign (resid 253 and name HG1# ) (resid 93 and name HA ) 2.5 0.7 0.7 ! A.70 at 3.04e+07
assign (resid 253 and name HG1# ) (resid 93 and name HB# ) 2.5 0.7 1.2 ! A.72 at 3.08e+07
assign (resid 253 and name HB ) (resid 93 and name HB# ) 4.0 2.2 1.5 ! A.11 at 8.23e+06
assign (resid 253 and name HB ) (resid 93 and name HA ) 4.0 2.2 1.0 ! A.42 at 5.47e+06
assign (resid 253 and name HG2# ) (resid 96 and name HB1 ) 4.0 2.2 1.5 ! A.16 at 9.99e+06
assign (resid 253 and name HG2# ) (resid 96 and name HB2 ) 4.0 2.2 1.5 ! A.118 at 7.49e+06
assign (resid 253 and name HG2# ) (resid 97 and name HA ) 3.0 1.2 0.8 ! A.74 at 1.32e+07
assign (resid 253 and name HG2# ) (resid 97 and name  HB2 )  4.0  2.2  1.5 ! A.117   at 6.32e+06
assign (resid 253 and name HG2# ) (resid 97 and name  HG2 )  4.0  2.2  1.5 ! A.119   at 4.91e+06

! L57
assign (resid 257 and name  HB1 ) (resid 86 and name HD2# )  4.0  2.2  1.5 ! A.127  at 6.84e+06
assign (resid 257 and name   HG ) (resid 89 and name HG2# )  4.0  2.2  1.5 ! A.111  at 6.45e+06
assign (resid 257 and name HD1# ) (resid 93 and name HB# ) 2.5 0.7 1.2 ! A.19 at 2.66e+07
assign (resid 257 and name HD2# ) (resid 93 and name HB# ) 2.5 0.7 1.2 ! A.8 at 3.53e+07

! R85
assign (resid 285 and name HA ) (resid 89 and name HD1# ) 3.0 1.2 0.8 ! A.26 at 1.09e+07

! L86
assign (resid  286 and name   HA ) (resid  89 and name HD1# )  4.0  2.2  1.5 ! A.27   at 8.63e+06

! L88
assign (resid 288 and name HG ) (resid 89 and name HD1# ) 4.0 2.2 1.5 ! A.104 at 8.18e+06
assign (resid 288 and name HD1# ) (resid 89 and name HG2# ) 3.0 1.2 1.3 ! A.87 at 1.69e+07
assign (resid 288 and name HD1# ) (resid 89 and name HD1# ) 3.0 1.2 1.3 ! A.80 at 2.36e+07

! I89
assign (resid 289 and name HD1# or resid 289 and name HG2# ) (resid 89 and name HA ) 3.0 1.2 0.8 ! A.81 at 1.07e+07
assign (resid 289 and name HG2# ) (resid 89 and name HG11 ) 4.0 2.2 1.5 ! A.125 at 4.62e+06
assign (resid 289 and name HD1# ) (resid 89 and name HG11 ) 4.0 2.2 1.5 ! A.134 at -9.61e+06
assign (resid 289 and name HD1# ) (resid 89 and name HD1# ) 2.5 0.7 1.2 ! A.130 at 4.94e+07
assign (resid 289 and name HD1# ) (resid 89 and name HB ) 4.0 2.2 1.5 ! A.129 at 1.07e+07 (widened1)

! I92
assign (resid 292 and name HD1# ) (resid 92 and name HG11 )  4.0  2.2  1.5 ! A.131   at 9.61e+06
assign (resid 292 and name HD1# ) (resid 92 and name   HB )  4.0  2.2  1.5 ! A.128   at 8.54e+06
assign (resid 292 and name HG2# ) (resid 93 and name HA ) 4.0 2.2 1.5 ! A.88 at 7.24e+06
assign (resid 292 and name HG2# ) (resid 93 and name HB# ) 3.0 1.2 1.3 ! A.108 at 1.14e+07
assign (resid 292 and name HD1# or resid 289 and name HG2# ) (resid 93 and name HB# ) 3.0 1.2 1.3 ! A.124 at 1.37e+07
assign (resid 292 and name HD1# ) (resid 93 and name HA ) 4.0 2.2 1.5 ! A.44 at 4.87e+06

! Y99
assign (resid 299 and name HE# ) (resid 100 and name HG# ) 4.0 2.2 1.5 ! A.79 at 9.49e+06
assign (resid 299 and name HE# ) (resid 103 and name HD1# ) 4.0 2.2 1.5 ! A.78 at 6.52e+06
assign (resid 299 and name HD# ) (resid 103 and name HG2# ) 4.0 2.2 1.5 ! A.90 at 8.32e+06
assign (resid 299 and name HA ) (resid 103 and name HD1# ) 3.0 1.2 0.8 ! A.30 at 1.60e+07
assign (resid 299 and name HD# ) (resid 103 and name HD1# ) 2.5 0.7 0.7 ! A.32 at 2.62e+07

! S102
assign (resid 302 and name HB# ) (resid 103 and name HG2# ) 3.0 1.2 1.3 ! A.62 at 1.26e+07
assign (resid 302 and name HA ) (resid 103 and name HG2# ) 4.0 2.2 1.5 ! A.63 at 8.90e+06
assign (resid 302 and name HB# ) (resid 103 and name HD1# ) 3.0 1.2 1.3 ! A.38 at 1.58e+07
assign (resid 302 and name  HB# ) (resid 103 and name HG12 )  4.0  2.2  1.0 ! A.113  at 5.97e+06

! I103
assign (resid 303 and name HG11 ) (resid 103 and name HG12 )  4.0  2.2  1.0 ! A.110  at 6.64e+06
assign (resid 303 and name HD1# ) (resid 103 and name HA )  4.0  2.2  1.5 ! A.133  at 7.37e+06

!@ END_XPLR_NOE_FILE
! pck2xplr.nawk Table; Input File: c13n15noe-2.PCK
!   Date: Fri Jul 25 16:52:17 CDT 2003
!   Path: /home/vakon/NMR_data/KaiA/Th180C/Structure/analysis/noe
!
!@ BEGIN_XPLR_PCK_SUM
! LBL   File-Name                   All   Intra  Seq.  Short   Long
! A   c13n15noe-2.PCK               249   139     82     24      4
!    Total                          249   139     82     24      4

!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE

! SEGID a

! K10
assign (resid  10 and name  HB1 ) (resid  11 and name   HN )  4.0  2.2  1.0 ! A.403  at 1.06e+06

! R11
assign (resid  11 and name   HA ) (resid  15 and name   HN )  4.0  2.2  1.0 ! A.274  at 9.73e+05

! K12
assign (resid  12 and name   HA ) (resid  15 and name   HN )  3.0  1.2  0.5 ! A.278  at 2.24e+06

! L13
assign (resid  13 and name   HA ) (resid  16 and name   HN )  4.0  2.2  1.0 ! A.284  at 8.48e+05

! L14
assign (resid 14 and name HD1# ) (resid 14 and name HN ) 3.0 1.2 1.0 ! A.106 at 1.44e+06 
assign (resid  14 and name   HA ) (resid  15 and name   HN )  4.0  2.2  1.0 ! A.272  at 9.26e+05
assign (resid 14 and name HD2# ) (resid 15 and name HN ) 4.0 2.2 1.5 ! A.281 at 1.27e+06 
assign (resid  14 and name  HB2 ) (resid  15 and name   HN )  3.0  1.2  0.5 ! A.283  at -2.08e+06
assign (resid  14 and name  HB1 ) (resid  15 and name   HN )  4.0  2.2  1.0 ! A.277  at -1.34e+06
assign (resid 14 and name HD2# ) (resid 16 and name HN ) 4.0 2.2 1.5 ! A.286 at 9.31e+05 

! D15
assign (resid  15 and name   HA ) (resid  16 and name   HN )  4.0  2.2  1.0 ! A.285  at 8.12e+05

! E16
assign (resid  16 and name   HA ) (resid  19 and name   HN )  4.0  2.2  1.0 ! A.165  at 1.04e+06

! L17
assign (resid  17 and name   HA ) (resid  18 and name   HN )  4.0  2.2  1.0 ! A.338  at 1.06e+06

! I20
assign (resid  20 and name HG2# ) (resid  20 and name   HN )  4.0  2.2  1.5 ! A.73   at 9.97e+05
assign (resid  20 and name HG11 ) (resid  20 and name   HN )  4.0  2.2  1.0 ! A.72   at 1.17e+06
assign (resid  20 and name   HB ) (resid  20 and name   HN )  4.0  2.2  1.0 ! A.75   at -1.16e+06
assign (resid  20 and name HD1# ) (resid  21 and name   HN )  4.0  2.2  1.5 ! A.14   at 9.72e+05

! R22
assign (resid  22 and name   HA ) (resid  25 and name   HN )  4.0  2.2  1.0 ! A.211  at 9.07e+05

! I24
assign (resid  24 and name HD1# ) (resid  24 and name   HN )  4.0  2.2  1.5 ! A.318  at 1.27e+06
assign (resid  24 and name HG2# ) (resid  25 and name   HN )  4.0  2.2  1.5 ! A.219  at 9.80e+05
assign (resid  24 and name HD1# ) (resid  42 and name   HN )  4.0  2.2  1.5 ! A.88   at 1.09e+06

! V25
assign (resid  25 and name   HB ) (resid  26 and name   HN )  4.0  2.2  1.0 ! A.206  at 1.18e+06

! L26
assign (resid  26 and name  HB2 ) (resid  26 and name   HN )  3.0  1.2  0.5 ! A.204  at -1.87e+06
assign (resid  26 and name HD1# ) (resid  26 and name   HN )  3.0  1.2  1.0 ! A.200  at 1.74e+06
assign (resid  26 and name HD2# ) (resid  26 and name   HN )  3.0  1.2  1.0 ! A.202  at 1.57e+06
assign (resid  26 and name   HG ) (resid  26 and name   HN )  3.0  1.2  0.5 ! A.205  at 2.07e+06
assign (resid  26 and name  HB1 ) (resid  26 and name   HN )  3.0  1.2  0.5 ! A.203  at -1.68e+06
assign (resid  26 and name  HB1 ) (resid  27 and name   HN )  4.0  2.2  1.0 ! A.190  at -1.14e+06
assign (resid  26 and name  HB2 ) (resid  27 and name   HN )  4.0  2.2  1.0 ! A.189  at -1.14e+06

! Y28
assign (resid  28 and name   HN ) (resid  87 and name HG2# )  4.0  2.2  1.5 ! A.317  at 9.83e+05

! F29
assign (resid  29 and name  HB1 ) (resid  29 and name   HN )  3.0  1.2  0.5 ! A.126  at 1.47e+06

! D32
assign (resid  32 and name   HA ) (resid  33 and name   HN )  4.0  2.2  1.0 ! A.260  at 1.03e+06

! A33
assign (resid  33 and name  HB# ) (resid  35 and name   HN )  3.0  1.2  1.0 ! A.383  at 1.45e+06

! K34
assign (resid  34 and name   HA ) (resid  35 and name   HN )  3.0  1.2  0.5 ! A.387  at 1.95e+06

! E37
assign (resid  37 and name  HB# ) (resid  38 and name   HN )  3.0  1.2  1.0 ! A.255  at 1.70e+06

! R38
assign (resid  38 and name  HG# ) (resid  38 and name   HN )  3.0  1.2  1.0 ! A.256  at 2.53e+06
assign (resid  38 and name   HA ) (resid  41 and name   HN )  3.0  1.2  0.5 ! A.292  at 1.44e+06

! I39
assign (resid  39 and name HG2# ) (resid  39 and name   HN )  4.0  2.2  1.5 ! A.115  at 1.06e+06
assign (resid  39 and name HD1# ) (resid  39 and name   HN )  4.0  2.2  1.5 ! A.114  at 1.40e+06
assign (resid  39 and name   HA ) (resid  42 and name   HN )  4.0  2.2  1.0 ! A.93   at 1.02e+06
assign (resid  39 and name   HA ) (resid  43 and name   HN )  4.0  2.2  1.0 ! A.24   at 9.61e+05

! E41
assign (resid  41 and name  HG2 ) (resid  41 and name   HN )  4.0  2.2  1.0 ! A.288  at -1.39e+06
assign (resid  41 and name   HA ) (resid  44 and name   HN )  4.0  2.2  1.0 ! A.136  at 8.77e+05

! F42
assign (resid 42 and name HN ) (resid 43 and name HG2# ) 4.0 2.2 1.5 ! A.95 at 8.17e+05 

! S44
assign (resid  44 and name  HB2 ) (resid  45 and name   HN )  3.0  1.2  0.5 ! A.296  at 1.93e+06

! F47
assign (resid  47 and name   HA ) (resid  50 and name   HN )  4.0  2.2  1.0 ! A.222  at 1.01e+06

! F48
assign (resid  48 and name   HA ) (resid  49 and name   HN )  4.0  2.2  1.0 ! A.245  at 8.82e+05

! A49
assign (resid  49 and name  HB# ) (resid  50 and name   HN )  4.0  2.2  1.5 ! A.220  at 1.37e+06
assign (resid  49 and name   HA ) (resid  50 and name   HN )  4.0  2.2  1.0 ! A.224  at -1.22e+06

! V53
assign (resid  53 and name   HB ) (resid  53 and name   HN )  3.0  1.2  0.5 ! A.33   at 1.70e+06

! S54
assign (resid  54 and name   HA ) (resid  55 and name   HN )  4.0  2.2  1.0 ! A.295  at 1.10e+06

! Q55
assign (resid  55 and name  HG# ) (resid  55 and name   HN )  3.0  1.2  1.0 ! A.289  at -2.82e+06

! L57
assign (resid  57 and name   HG ) (resid  57 and name   HN )  3.0  1.2  0.5 ! A.282  at 1.45e+06
assign (resid  57 and name HD1# ) (resid  58 and name   HN )  4.0  2.2  1.5 ! A.230  at 9.47e+05

! E58
assign (resid  58 and name  HB1 ) (resid  58 and name   HN )  3.0  1.2  0.5 ! A.235  at 3.07e+06
assign (resid  58 and name  HG2 ) (resid  58 and name   HN )  4.0  2.2  1.0 ! A.232  at -1.26e+06

! I59
assign (resid  59 and name HD1# ) (resid  59 and name   HN )  4.0  2.2  1.5 ! A.322  at 1.35e+06
assign (resid  59 and name   HA ) (resid  60 and name   HN )  4.0  2.2  1.0 ! A.396  at 9.04e+05

! E62
assign (resid  62 and name  HB1 ) (resid  62 and name   HN )  3.0  1.2  0.5 ! A.352  at 3.33e+06
assign (resid  62 and name  HG2 ) (resid  62 and name   HN )  4.0  2.2  1.0 ! A.350  at -1.45e+06 (widened1)
assign (resid  62 and name   HA ) (resid  63 and name   HN )  3.0  1.2  0.5 ! A.312  at 1.58e+06
assign (resid  62 and name  HB2 ) (resid  63 and name   HN )  3.0  1.2  0.5 ! A.313  at 2.51e+06
assign (resid  62 and name  HG2 ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.310  at -1.24e+06

! L63
assign (resid 63 and name HD1# ) (resid 63 and name HN ) 4.0 2.2 1.5 ! A.308 at 1.11e+06 
assign (resid  63 and name  HB# ) (resid  64 and name   HN )  4.0  2.2  1.5 ! A.55   at -1.23e+06
assign (resid  63 and name   HA ) (resid  66 and name   HN )  3.0  1.2  0.5 ! A.172  at 1.44e+06
assign (resid  63 and name   HG ) (resid  67 and name   HN )  4.0  2.2  1.0 ! A.66   at 7.21e+05

! M64
assign (resid  64 and name  HE# ) (resid  64 and name   HN )  4.0  2.2  1.5 ! A.58   at 8.46e+05

! D65
assign (resid  65 and name  HB1 ) (resid  66 and name   HN )  3.0  1.2  0.5 ! A.167  at -2.52e+06
assign (resid  65 and name   HA ) (resid  66 and name   HN )  4.0  2.2  1.0 ! A.186  at 1.38e+06

! S68
assign (resid  68 and name  HB# ) (resid  69 and name   HN )  4.0  2.2  1.5 ! A.378  at 1.22e+06

! L73
assign (resid  73 and name   HG ) (resid  73 and name   HN )  3.0  1.2  0.5 ! A.302  at 1.66e+06
assign (resid  73 and name HD1# ) (resid  73 and name   HN )  4.0  2.2  1.5 ! A.303  at 1.11e+06

! S77
assign (resid  77 and name   HA ) (resid  78 and name   HN )  4.0  2.2  1.0 ! A.62   at 1.28e+06
assign (resid  77 and name   HN ) (resid  78 and name   HA )  4.0  2.2  1.0 ! A.131  at 1.04e+06

! D79
assign (resid  79 and name  HB1 ) (resid  79 and name   HN )  4.0  2.2  1.0 ! A.123  at -1.14e+06

! I80
assign (resid  80 and name   HA ) (resid  83 and name   HN )  4.0  2.2  1.0 ! A.332  at 9.03e+05

! L81
assign (resid  81 and name  HB# ) (resid  81 and name   HN )  4.0  2.2  1.5 ! A.377  at -1.18e+06
assign (resid  81 and name  HB# ) (resid  82 and name   HN )  4.0  2.2  1.5 ! A.331  at -1.03e+06

! L82
assign (resid  82 and name   HG ) (resid  82 and name   HN )  4.0  2.2  1.0 ! A.329  at 1.48e+06 (widened1)
assign (resid  82 and name HD1# ) (resid  82 and name   HN )  4.0  2.2  1.5 ! A.328  at 1.36e+06

! L86
assign (resid  86 and name   HG ) (resid  86 and name   HN )  3.0  1.2  0.5 ! A.194  at 1.64e+06

! T87
assign (resid  87 and name   HB ) (resid  88 and name   HN )  4.0  2.2  1.0 ! A.152  at 8.89e+05

! L88
assign (resid  88 and name HD2# ) (resid  88 and name   HN )  4.0  2.2  1.5 ! A.150  at 1.12e+06

! V91
assign (resid  91 and name HG2# ) (resid  92 and name   HN )  4.0  2.2  1.5 ! A.46   at 8.53e+05

! A93
assign (resid  93 and name  HB# ) (resid  95 and name   HN )  4.0  2.2  1.5 ! A.80   at 8.96e+05

! L95
assign (resid  95 and name  HB2 ) (resid  96 and name   HN )  4.0  2.2  1.0 ! A.22   at -8.14e+05

! R101
assign (resid 101 and name  HB1 ) (resid 101 and name   HN )  3.0  1.2  0.5 ! A.177  at 1.59e+06

! S102
assign (resid 102 and name  HB# ) (resid 103 and name   HN )  4.0  2.2  1.5 ! A.160  at 1.12e+06
assign (resid 102 and name   HA ) (resid 103 and name   HN )  4.0  2.2  1.0 ! A.158  at 1.34e+06
assign (resid 102 and name   HN ) (resid 103 and name HD1# )  4.0  2.2  1.5 ! A.141  at 1.13e+06

! I103
assign (resid 103 and name HD1# ) (resid 103 and name   HN )  3.0  1.2  1.0 ! A.153  at 2.09e+06
assign (resid 103 and name HG11 ) (resid 103 and name   HN )  4.0  2.2  1.0 ! A.156  at 1.39e+06
assign (resid 103 and name   HN ) (resid 104 and name  HD1 )  4.0  2.2  1.0 ! A.161  at -8.33e+05

! P104
assign (resid 104 and name   HA ) (resid 105 and name   HN )  2.5  0.7  0.4 ! A.345  at 4.35e+06

! R105
assign (resid 105 and name  HG# ) (resid 105 and name   HN )  3.0  1.2  1.0 ! A.341  at 1.49e+06



! SEGID b 

! K10
assign (resid 210 and name HB1 ) (resid 211 and name HN ) 4.0 2.2 1.0 ! A.403 at 1.06e+06

! R11
assign (resid 211 and name HA ) (resid 215 and name HN ) 4.0 2.2 1.0 ! A.274 at 9.73e+05

! K12
assign (resid 212 and name HA ) (resid 215 and name HN ) 3.0 1.2 0.5 ! A.278 at 2.24e+06

! L13
assign (resid 213 and name HA ) (resid 216 and name HN ) 4.0 2.2 1.0 ! A.284 at 8.48e+05

! L14
assign (resid 214 and name HD1# ) (resid 214 and name HN ) 3.0 1.2 1.0 ! A.106 at 1.44e+06
assign (resid 214 and name HA ) (resid 215 and name HN ) 4.0 2.2 1.0 ! A.272 at 9.26e+05
assign (resid 214 and name HD2# ) (resid 215 and name HN ) 4.0 2.2 1.5 ! A.281 at 1.27e+06
assign (resid 214 and name HB2 ) (resid 215 and name HN ) 3.0 1.2 0.5 ! A.283 at -2.08e+06
assign (resid 214 and name HB1 ) (resid 215 and name HN ) 4.0 2.2 1.0 ! A.277 at -1.34e+06
assign (resid 214 and name HD2# ) (resid 216 and name HN ) 4.0 2.2 1.5 ! A.286 at 9.31e+05

! D15
assign (resid 215 and name HA ) (resid 216 and name HN ) 4.0 2.2 1.0 ! A.285 at 8.12e+05

! E16
assign (resid 216 and name HA ) (resid 219 and name HN ) 4.0 2.2 1.0 ! A.165 at 1.04e+06

! L17
assign (resid 217 and name HA ) (resid 218 and name HN ) 4.0 2.2 1.0 ! A.338 at 1.06e+06

! I20
assign (resid 220 and name HG2# ) (resid 220 and name HN ) 4.0 2.2 1.5 ! A.73 at 9.97e+05
assign (resid 220 and name HG11 ) (resid 220 and name HN ) 4.0 2.2 1.0 ! A.72 at 1.17e+06
assign (resid 220 and name HB ) (resid 220 and name HN ) 4.0 2.2 1.0 ! A.75 at -1.16e+06
assign (resid 220 and name HD1# ) (resid 221 and name HN ) 4.0 2.2 1.5 ! A.14 at 9.72e+05

! R22
assign (resid 222 and name HA ) (resid 225 and name HN ) 4.0 2.2 1.0 ! A.211 at 9.07e+05

! I24
assign (resid 224 and name HD1# ) (resid 224 and name HN ) 4.0 2.2 1.5 ! A.318 at 1.27e+06
assign (resid 224 and name HG2# ) (resid 225 and name HN ) 4.0 2.2 1.5 ! A.219 at 9.80e+05
assign (resid 224 and name HD1# ) (resid 242 and name HN ) 4.0 2.2 1.5 ! A.88 at 1.09e+06

! V25
assign (resid 225 and name HB ) (resid 226 and name HN ) 4.0 2.2 1.0 ! A.206 at 1.18e+06

! L26
assign (resid 226 and name HB2 ) (resid 226 and name HN ) 3.0 1.2 0.5 ! A.204 at -1.87e+06
assign (resid 226 and name HD1# ) (resid 226 and name HN ) 3.0 1.2 1.0 ! A.200 at 1.74e+06
assign (resid 226 and name HD2# ) (resid 226 and name HN ) 3.0 1.2 1.0 ! A.202 at 1.57e+06
assign (resid 226 and name HG ) (resid 226 and name HN ) 3.0 1.2 0.5 ! A.205 at 2.07e+06
assign (resid 226 and name HB1 ) (resid 226 and name HN ) 3.0 1.2 0.5 ! A.203 at -1.68e+06
assign (resid 226 and name HB1 ) (resid 227 and name HN ) 4.0 2.2 1.0 ! A.190 at -1.14e+06
assign (resid 226 and name HB2 ) (resid 227 and name HN ) 4.0 2.2 1.0 ! A.189 at -1.14e+06

! Y28
assign (resid 228 and name HN ) (resid 287 and name HG2# ) 4.0 2.2 1.5 ! A.317 at 9.83e+05

! F29
assign (resid 229 and name HB1 ) (resid 229 and name HN ) 3.0 1.2 0.5 ! A.126 at 1.47e+06

! D32
assign (resid 232 and name HA ) (resid 233 and name HN ) 4.0 2.2 1.0 ! A.260 at 1.03e+06

! A33
assign (resid 233 and name HB# ) (resid 235 and name HN ) 3.0 1.2 1.0 ! A.383 at 1.45e+06

! K34
assign (resid 234 and name HA ) (resid 235 and name HN ) 3.0 1.2 0.5 ! A.387 at 1.95e+06

! E37
assign (resid 237 and name HB# ) (resid 238 and name HN ) 3.0 1.2 1.0 ! A.255 at 1.70e+06

! R38
assign (resid 238 and name HG# ) (resid 238 and name HN ) 3.0 1.2 1.0 ! A.256 at 2.53e+06
assign (resid 238 and name HA ) (resid 241 and name HN ) 3.0 1.2 0.5 ! A.292 at 1.44e+06

! I39
assign (resid 239 and name HG2# ) (resid 239 and name HN ) 4.0 2.2 1.5 ! A.115 at 1.06e+06
assign (resid 239 and name HD1# ) (resid 239 and name HN ) 4.0 2.2 1.5 ! A.114 at 1.40e+06
assign (resid 239 and name HA ) (resid 242 and name HN ) 4.0 2.2 1.0 ! A.93 at 1.02e+06
assign (resid 239 and name HA ) (resid 243 and name HN ) 4.0 2.2 1.0 ! A.24 at 9.61e+05

! E41
assign (resid 241 and name HG2 ) (resid 241 and name HN ) 4.0 2.2 1.0 ! A.288 at -1.39e+06
assign (resid 241 and name HA ) (resid 244 and name HN ) 4.0 2.2 1.0 ! A.136 at 8.77e+05

! F42
assign (resid 242 and name HN ) (resid 243 and name HG2# ) 4.0 2.2 1.5 ! A.95 at 8.17e+05

! S44
assign (resid 244 and name HB2 ) (resid 245 and name HN ) 3.0 1.2 0.5 ! A.296 at 1.93e+06

! F47
assign (resid 247 and name HA ) (resid 250 and name HN ) 4.0 2.2 1.0 ! A.222 at 1.01e+06

! F48
assign (resid 248 and name HA ) (resid 249 and name HN ) 4.0 2.2 1.0 ! A.245 at 8.82e+05

! A49
assign (resid 249 and name HB# ) (resid 250 and name HN ) 4.0 2.2 1.5 ! A.220 at 1.37e+06
assign (resid 249 and name HA ) (resid 250 and name HN ) 4.0 2.2 1.0 ! A.224 at -1.22e+06

! V53
assign (resid 253 and name HB ) (resid 253 and name HN ) 3.0 1.2 0.5 ! A.33 at 1.70e+06

! S54
assign (resid 254 and name HA ) (resid 255 and name HN ) 4.0 2.2 1.0 ! A.295 at 1.10e+06

! Q55
assign (resid 255 and name HG# ) (resid 255 and name HN ) 3.0 1.2 1.0 ! A.289 at -2.82e+06

! L57
assign (resid 257 and name HG ) (resid 257 and name HN ) 3.0 1.2 0.5 ! A.282 at 1.45e+06
assign (resid 257 and name HD1# ) (resid 258 and name HN ) 4.0 2.2 1.5 ! A.230 at 9.47e+05

! E58
assign (resid 258 and name HB1 ) (resid 258 and name HN ) 3.0 1.2 0.5 ! A.235 at 3.07e+06
assign (resid 258 and name HG2 ) (resid 258 and name HN ) 4.0 2.2 1.0 ! A.232 at -1.26e+06

! I59
assign (resid 259 and name HD1# ) (resid 259 and name HN ) 4.0 2.2 1.5 ! A.322 at 1.35e+06
assign (resid 259 and name HA ) (resid 260 and name HN ) 4.0 2.2 1.0 ! A.396 at 9.04e+05

! E62
assign (resid 262 and name HB1 ) (resid 262 and name HN ) 3.0 1.2 0.5 ! A.352 at 3.33e+06
assign (resid 262 and name HG2 ) (resid 262 and name HN ) 4.0 2.2 1.0 ! A.350 at -1.45e+06
assign (resid 262 and name HA ) (resid 263 and name HN ) 3.0 1.2 0.5 ! A.312 at 1.58e+06
assign (resid 262 and name HB2 ) (resid 263 and name HN ) 3.0 1.2 0.5 ! A.313 at 2.51e+06
assign (resid 262 and name HG2 ) (resid 263 and name HN ) 4.0 2.2 1.0 ! A.310 at -1.24e+06

! L63
assign (resid 263 and name HD1# ) (resid 263 and name HN ) 4.0 2.2 1.5 ! A.308 at 1.11e+06
assign (resid 263 and name HB# ) (resid 264 and name HN ) 4.0 2.2 1.5 ! A.55 at -1.23e+06
assign (resid 263 and name HA ) (resid 266 and name HN ) 3.0 1.2 0.5 ! A.172 at 1.44e+06
assign (resid 263 and name HG ) (resid 267 and name HN ) 4.0 2.2 1.0 ! A.66 at 7.21e+05

! M64
assign (resid 264 and name HE# ) (resid 264 and name HN ) 4.0 2.2 1.5 ! A.58 at 8.46e+05

! D65
assign (resid 265 and name HB1 ) (resid 266 and name HN ) 3.0 1.2 0.5 ! A.167 at -2.52e+06
assign (resid 265 and name HA ) (resid 266 and name HN ) 4.0 2.2 1.0 ! A.186 at 1.38e+06

! S68
assign (resid 268 and name HB# ) (resid 269 and name HN ) 4.0 2.2 1.5 ! A.378 at 1.22e+06

! L73
assign (resid 273 and name HG ) (resid 273 and name HN ) 3.0 1.2 0.5 ! A.302 at 1.66e+06
assign (resid 273 and name HD1# ) (resid 273 and name HN ) 4.0 2.2 1.5 ! A.303 at 1.11e+06

! S77
assign (resid 277 and name HA ) (resid 278 and name HN ) 4.0 2.2 1.0 ! A.62 at 1.28e+06
assign (resid 277 and name HN ) (resid 278 and name HA ) 4.0 2.2 1.0 ! A.131 at 1.04e+06

! D79
assign (resid 279 and name HB1 ) (resid 279 and name HN ) 4.0 2.2 1.0 ! A.123 at -1.14e+06

! I80
assign (resid 280 and name HA ) (resid 283 and name HN ) 4.0 2.2 1.0 ! A.332 at 9.03e+05

! L81
assign (resid 281 and name HB# ) (resid 281 and name HN ) 4.0 2.2 1.5 ! A.377 at -1.18e+06
assign (resid 281 and name HB# ) (resid 282 and name HN ) 4.0 2.2 1.5 ! A.331 at -1.03e+06

! L82
assign (resid 282 and name HG ) (resid 282 and name HN ) 4.0 2.2 1.0 ! A.329 at 1.48e+06 (widened1)
assign (resid 282 and name HD1# ) (resid 282 and name HN ) 4.0 2.2 1.5 ! A.328 at 1.36e+06

! L86
assign (resid 286 and name HG ) (resid 286 and name HN ) 3.0 1.2 0.5 ! A.194 at 1.64e+06

! T87
assign (resid 287 and name HB ) (resid 288 and name HN ) 4.0 2.2 1.0 ! A.152 at 8.89e+05

! L88
assign (resid 288 and name HD2# ) (resid 288 and name HN ) 4.0 2.2 1.5 ! A.150 at 1.12e+06

! V91
assign (resid 291 and name HG2# ) (resid 292 and name HN ) 4.0 2.2 1.5 ! A.46 at 8.53e+05

! A93
assign (resid 293 and name HB# ) (resid 295 and name HN ) 4.0 2.2 1.5 ! A.80 at 8.96e+05

! L95
assign (resid 295 and name HB2 ) (resid 296 and name HN ) 4.0 2.2 1.0 ! A.22 at -8.14e+05

! R101
assign (resid 301 and name HB1 ) (resid 301 and name HN ) 3.0 1.2 0.5 ! A.177 at 1.59e+06

! S102
assign (resid 302 and name HB# ) (resid 303 and name HN ) 4.0 2.2 1.5 ! A.160 at 1.12e+06
assign (resid 302 and name HA ) (resid 303 and name HN ) 4.0 2.2 1.0 ! A.158 at 1.34e+06
assign (resid 302 and name HN ) (resid 303 and name HD1# ) 4.0 2.2 1.5 ! A.141 at 1.13e+06

! I103
assign (resid 303 and name HD1# ) (resid 303 and name HN ) 3.0 1.2 1.0 ! A.153 at 2.09e+06
assign (resid 303 and name HG11 ) (resid 303 and name HN ) 4.0 2.2 1.0 ! A.156 at 1.39e+06
assign (resid 303 and name HN ) (resid 304 and name HD1 ) 4.0 2.2 1.0 ! A.161 at -8.33e+05

! P104
assign (resid 304 and name HA ) (resid 305 and name HN ) 2.5 0.7 0.4 ! A.345 at 4.35e+06

! R105
assign (resid 305 and name HG# ) (resid 305 and name HN ) 3.0 1.2 1.0 ! A.341 at 1.49e+06


! pck2xplr.nawk Table; Input File: dimer_c13c13_ambig.PCK
!   Date: Sun Aug  3 20:45:59 CDT 2003
!   Path: /home/vakon/NMR_data/KaiA/Th180C/Structure/analysis/noe
!
!@ BEGIN_XPLR_PCK_SUM
! LBL   File-Name                   All   Intra  Seq.  Short   Long
! A   dimer_c13c13_ambig.PCK         77     6     27     26     18
!    Total                           77     6     27     26     18

!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE
!

! V53
assign ((resid 53 or resid 253) and name HG1# ) ((resid 89 or resid 289) and name HG2# ) 4.0 2.2 2.0 ! A.2566 at 1.06e+06
assign ((resid 53 or resid 253) and name HG1# ) ((resid 89 or resid 289) and name HD1# ) 3.0 1.2 1.3 ! A.2574 at 3.11e+06
assign ((resid 53 or resid 253) and name HB ) ((resid 92 or resid 292) and name HG2# ) 4.0 2.2 1.5 ! A.1744 at 6.04e+05
assign ((resid 53 or resid 253) and name HG2# ) ((resid 92 or resid 292) and name HG2# ) 2.5 0.7 1.2 ! A.461 at 4.16e+06
assign ((resid 53 or resid 253) and name HG1# ) ((resid 92 or resid 292) and name HD1# ) 3.0 1.2 1.3 ! A.1755 at 3.01e+06
assign ((resid 53 or resid 253) and name HG1# ) ((resid 92 or resid 292) and name HG2# ) 2.5 0.7 1.2 ! A.217 at 3.46e+06
assign ((resid 53 or resid 253) and name HG2# ) ((resid 93 or resid 293) and name HA ) 3.0 1.2 0.8 ! A.459 at 2.64e+06
assign ((resid 53 or resid 253) and name HG1# ) ((resid 93 or resid 293) and name HB# ) 2.5 0.7 1.2 ! A.261 at 6.14e+06
assign ((resid 53 or resid 253) and name HG1# ) ((resid 93 or resid 293) and name HA ) 2.5 0.7 0.7 ! A.317 at 3.94e+06
assign ((resid 53 or resid 253) and name HB ) ((resid 93 or resid 293) and name HA ) 4.0 2.2 1.0 ! A.2658 at 8.15e+05
assign ((resid 53 or resid 253) and name HA ) ((resid 95 or resid 295) and name HD2# ) 4.0 2.2 1.5 ! A.2708 at 1.24e+06
assign ((resid 53 or resid 253) and name HG2# ) ((resid 96 or resid 296) and name HB1 ) 3.0 1.2 0.8 ! A.2727 at -1.32e+06
assign ((resid 53 or resid 253) and name HG2# ) ((resid 96 or resid 296) and name HA ) 4.0 2.2 1.5 ! A.2722 at 7.05e+05

! L57
assign ((resid 57 or resid 257) and name HD2# ) ((resid 89 or resid 289) and name HA ) 4.0 2.2 1.5 ! A.2548 at 5.28e+05
assign ((resid 57 or resid 257) and name HD2# ) ((resid 89 or resid 289) and name HG2# ) 2.5 0.7 1.2 ! A.1841 at 4.07e+06
assign ((resid 57 or resid 257) and name HD2# ) ((resid 92 or resid 292) and name HG2# ) 4.0 2.2 2.0 ! A.2643 at 1.22e+06
assign ((resid 57 or resid 257) and name HD2# ) ((resid 92 or resid 292) and name HD1# ) 2.5 0.7 1.2 ! A.2653 at 3.46e+06
assign ((resid 57 or resid 257) and name HD1# ) ((resid 93 or resid 293) and name HB# ) 2.5 0.7 1.2 ! A.2396 at 5.53e+06


! R85
assign ((resid 85 or resid 285) and name HA ) ((resid 89 or resid 289) and name HD1# ) 4.0 2.2 1.5 ! A.2387 at 1.04e+06
assign ((resid 85 or resid 285) and name HA ) ((resid 89 or resid 289) and name HD1# ) 3.0 1.2 0.8 ! A.2569 at 1.28e+06

! L86
assign ((resid 86 or resid 286) and name HA ) ((resid 89 or resid 289) and name HD1# ) 3.0 1.2 0.8 ! A.2448 at 2.38e+06


! L88
assign (resid 88 and name HD1# ) ((resid 92 or resid 289) and name HD1# ) 2.5 0.7 1.2 ! A.2530 at 4.69e+06
assign (resid 288 and name HD1# ) ((resid 292 or resid 89) and name HD1# ) 2.5 0.7 1.2 ! A.2530 at 4.69e+06
assign ((resid 88 or resid 288) and name HD1# ) ((resid 89 or resid 289) and name HB ) 4.0 2.2 2.5 ! A.2538 at -4.19e+05
assign ((resid 88 or resid 288) and name HD1# ) ((resid 89 or resid 289) and name HG2# ) 3.0 1.2 1.3 ! A.2531 at 2.32e+06
assign ((resid 88 or resid 288) and name HB1 ) ((resid 89 or resid 289) and name HD1# ) 4.0 2.2 1.5 ! A.2499 at -8.20e+05
assign (resid 88 and name HG ) ((resid 92 or resid 289) and name HD1# ) 3.0 1.2 0.8 ! A.2910 at 1.71e+06
assign (resid 288 and name HG ) ((resid 292 or resid 89) and name HD1# ) 3.0 1.2 0.8 ! A.2910 at 1.71e+06
assign (resid 88 and name HD2# ) ((resid 92 or resid 289) and name HD1# ) 3.0 1.2 1.3 ! A.2522 at 2.94e+06
assign (resid 288 and name HD2# ) ((resid 292 or resid 89) and name HD1# ) 3.0 1.2 1.3 ! A.2522 at 2.94e+06

! I89
assign ((resid 89 or resid 289) and name HG11 ) ((resid 89 or resid 289) and name HA ) 3.0 1.2 0.3 ! A.2554 at 1.36e+06
assign ((resid 89 or resid 289) and name HG12 ) ((resid 89 or resid 289) and name HA ) 3.0 1.2 0.3 ! A.2547 at 1.33e+06
assign ((resid 89 or resid 289) and name HG2# ) ((resid 89 or resid 289) and name HA ) 3.0 1.2 0.8 ! A.2542 at 3.14e+06
assign ((resid 89 or resid 289) and name HA ) ((resid 92 or resid 292) and name HG12 ) 4.0 2.2 1.0 ! A.2545 at 7.12e+05
assign ((resid 89 or resid 289) and name HA ) ((resid 92 or resid 292) and name HG2# ) 4.0 2.2 1.5 ! A.2543 at 1.12e+06
assign ((resid 89 or resid 289) and name HA ) ((resid 92 or resid 292) and name HB ) 4.0 2.2 1.0 ! A.71 at -7.96e+05
assign ((resid 89 or resid 289) and name HA ) ((resid 93 or resid 293) and name HB# ) 4.0 2.2 2.5 ! A.2549 at 4.63e+05
assign ((resid 89 or resid 289) and name HG2# ) ((resid 93 or resid 293) and name HB# ) 3.0 1.2 1.3 ! A.2667 at 1.81e+06

! I92
assign ((resid 92 or resid 292) and name HG2# ) ((resid 93 or resid 293) and name HA ) 4.0 2.2 1.5 ! A.213 at 1.09e+06
assign ((resid 92 or resid 292) and name HG2# ) ((resid 93 or resid 293) and name HB# ) 3.0 1.2 1.3 ! A.2639 at 1.44e+06
assign ((resid 92 or resid 292) and name HD1# ) ((resid 93 or resid 293) and name HB# ) 3.0 1.2 1.3 ! A.2666 at 1.46e+06
assign ((resid 92 or resid 292) and name HD1# ) ((resid 93 or resid 293) and name HA ) 4.0 2.2 1.5 ! A.2662 at 6.34e+05
assign ((resid 92 or resid 292) and name HG2# ) ((resid 96 or resid 296) and name HB1 ) 4.0 2.2 1.5 ! A.2728 at -5.41e+05

! A93
assign ((resid 93 or resid 293) and name HA ) ((resid 96 or resid 296) and name HB2 ) 4.0 2.2 1.0 ! A.75 at -6.65e+05
assign ((resid 93 or resid 293) and name HA ) ((resid 96 or resid 296) and name HB1# ) 4.0 2.2 1.5 ! A.76 at -5.28e+05
assign ((resid 93 or resid 293) and name HA ) ((resid 96 or resid 296) and name HB1 ) 4.0 2.2 1.0 ! A.2660 at -9.92e+05

! C96
assign ((resid 96 or resid 296) and name HA ) ((resid 99 or resid 299) and name HD# ) 3.0 1.2 0.3 ! A.379 at -2.17e+06
assign ((resid 96 or resid 296) and name HA ) ((resid 99 or resid 299) and name HE# ) 4.0 2.2 1.0 ! A.380 at -7.29e+05
assign ((resid 96 or resid 296) and name HB2 ) ((resid 99 or resid 299) and name HE# ) 4.0 2.2 1.0 ! A.2797 at 5.80e+05

! Y99
assign ((resid 99 or resid 299) and name HD# ) ((resid 100 or resid 300) and name HA ) 4.0 2.2 1.0 ! A.272 at -6.30e+05
assign ((resid 99 or resid 299) and name HD# ) ((resid 103 or resid 303) and name HD1# ) 3.0 1.2 0.8 ! A.604 at -1.84e+06
assign ((resid 99 or resid 299) and name HD# ) ((resid 103 or resid 303) and name HG11 ) 4.0 2.2 1.0 ! A.607 at -5.69e+05
assign ((resid 99 or resid 299) and name HA ) ((resid 103 or resid 303) and name HD1# ) 3.0 1.2 0.8 ! A.2786 at 2.04e+06
assign ((resid 99 or resid 299) and name HB1 ) ((resid 103 or resid 303) and name HD1# ) 4.0 2.2 1.5 ! A.2793 at -8.38e+05
assign ((resid 99 or resid 299) and name HB2 ) ((resid 103 or resid 303) and name HD1# ) 4.0 2.2 1.5 ! A.2857 at -5.16e+05

! R100
assign ((resid 100 or resid 300) and name HA ) ((resid 103 or resid 303) and name HG11 ) 4.0 2.2 2.0 ! A.2799 at 4.40e+05
assign ((resid 100 or resid 300) and name HA ) ((resid 103 or resid 303) and name HD1# ) 3.0 1.2 0.8 ! A.270 at 2.17e+06

! S102
assign ((resid 102 or resid 302) and name HB# ) ((resid 103 or resid 303) and name HG12 ) 4.0 2.2 1.5 ! A.2849 at 6.33e+05
assign ((resid 102 or resid 302) and name HB# ) ((resid 103 or resid 303) and name HD1# ) 3.0 1.2 1.3 ! A.417 at 2.53e+06
assign ((resid 102 or resid 302) and name HB# ) ((resid 103 or resid 303) and name HG2# ) 3.0 1.2 1.3 ! A.418 at 2.06e+06
assign ((resid 102 or resid 302) and name HA ) ((resid 103 or resid 303) and name HD1# ) 4.0 2.2 1.5 ! A.355 at 6.93e+05

! I103
assign ((resid 103 or resid 303) and name HG12 ) ((resid 103 or resid 303) and name HA ) 4.0 2.2 1.0 ! A.2839 at 7.84e+05
assign ((resid 103 or resid 303) and name HA ) ((resid 103 or resid 303) and name HD1# ) 3.0 1.2 0.8 ! A.2836 at 1.47e+06
assign ((resid 103 or resid 303) and name HG2# ) ((resid 103 or resid 303) and name HA ) 3.0 1.2 0.8 ! A.2837 at 3.13e+06
assign ((resid 103 or resid 303) and name HA ) ((resid 104 or resid 304) and name HD1 ) 2.5 0.7 0.2 ! A.296 at -3.54e+06
assign ((resid 103 or resid 303) and name HG2# ) ((resid 104 or resid 304) and name HD1 ) 3.0 1.2 0.8 ! A.297 at -2.08e+06
assign ((resid 103 or resid 303) and name HA ) ((resid 104 or resid 304) and name HD2 ) 3.0 1.2 0.3 ! A.298 at -3.37e+06
assign ((resid 103 or resid 303) and name HG2# ) ((resid 104 or resid 304) and name HD2 ) 3.0 1.2 0.8 ! A.299 at -2.89e+06
assign ((resid 103 or resid 303) and name HD1# ) ((resid 104 or resid 304) and name HD2 ) 4.0 2.2 1.5 ! A.300 at -6.02e+05
assign ((resid 103 or resid 303) and name HB ) ((resid 104 or resid 304) and name HD2 ) 4.0 2.2 1.0 ! A.301 at 7.36e+05
assign ((resid 103 or resid 303) and name HG2# ) ((resid 104 or resid 304) and name HG1 ) 4.0 2.2 1.5 ! A.2121 at 8.98e+05
assign ((resid 103 or resid 303) and name HA ) ((resid 104 or resid 304) and name HG1 ) 4.0 2.2 1.0 ! A.2869 at 7.05e+05
assign ((resid 103 or resid 303) and name HG2# ) ((resid 104 or resid 304) and name HG2 ) 4.0 2.2 1.5 ! A.731 at 1.08e+06
assign ((resid 103 or resid 303) and name HG2# ) ((resid 104 or resid 304) and name HA ) 4.0 2.2 1.5 ! A.406 at 7.51e+05
assign ((resid 103 or resid 303) and name HA ) ((resid 104 or resid 304) and name HG2 ) 4.0 2.2 1.0 ! A.2840 at 9.82e+05
assign ((resid 103 or resid 303) and name HB ) ((resid 104 or resid 304) and name HD1 ) 4.0 2.2 1.0 ! A.2842 at 5.88e+05
assign ((resid 103 or resid 303) and name HD1# ) ((resid 104 or resid 304) and name HD2# ) 4.0 2.2 2.0 ! A.174 at -5.88e+05
assign ((resid 103 or resid 303) and name HD1# ) ((resid 104 or resid 304) and name HD1 ) 4.0 2.2 1.5 ! A.173 at -6.62e+05

! P104
assign ((resid 104 or resid 304) and name HB1 ) ((resid 106 or resid 306) and name HG# ) 2.5 0.7 0.7 ! A.2862 at 4.08e+06

! R105
assign ((resid 105 or resid 305) and name HD# ) ((resid 107 or resid 307) and name HG1# ) 4.0 2.2 2.0 ! A.2886 at -5.94e+05
assign ((resid 105 or resid 305) and name HG# ) ((resid 107 or resid 307) and name HG1# ) 4.0 2.2 3.0 ! A.2899 at 4.85e+05


!@ END_XPLR_NOE_FILE
! pck2xplr.nawk Table; Input File: dimer_c13c13_unambig.PCK
!   Date: Sun Aug  3 20:45:05 CDT 2003
!   Path: /home/vakon/NMR_data/KaiA/Th180C/Structure/analysis/noe
!
!@ BEGIN_XPLR_PCK_SUM
! LBL   File-Name                   All   Intra  Seq.  Short   Long
! A   dimer_c13c13_unambig.PCK       17     0      4      2     11
!    Total                           17     0      4      2     11

!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE

assign (resid 53 and name HG1# ) (resid 297 and name HG1 ) 4.0 2.2 1.5 ! A.1759 at -5.86e+05
assign (resid 253 and name HG1# ) (resid 97 and name HG1 ) 4.0 2.2 1.5 ! A.1759 at -5.86e+05

! L57
assign (resid 57 and name HD1# ) (resid 293 and name HA ) 4.0 2.2 1.5 ! A.2664 at 5.35e+05
assign (resid 257 and name HD1# ) (resid 93 and name HA ) 4.0 2.2 1.5 ! A.2664 at 5.35e+05


! Y99
assign (resid 99 and name HE# ) (resid 300 and name HD1 ) 4.0 2.2 1.0 ! A.2807 at 5.50e+05
assign (resid 299 and name HE# ) (resid 100 and name HD1 ) 4.0 2.2 1.0 ! A.2807 at 5.50e+05
assign (resid 99 and name HE# ) (resid 300 and name HD2 ) 4.0 2.2 1.0 ! A.2809 at 5.20e+05
assign (resid 299 and name HE# ) (resid 100 and name HD2 ) 4.0 2.2 1.0 ! A.2809 at 5.20e+05
assign (resid 99 and name HE# ) (resid 300 and name HA ) 4.0 2.2 1.0 ! A.273 at -5.56e+05
assign (resid 299 and name HE# ) (resid 100 and name HA ) 4.0 2.2 1.0 ! A.273 at -5.56e+05

!@ END_XPLR_NOE_FILE
! Hydrogen bond restraints added 07/03/03 

!SEGID a
! helix 1
assign (resid  8 and name  O )(resid 12 and name   HN ) 2.0 0.5 0.3
assign (resid  8 and name  O )(resid 12 and name    N ) 3.0 0.6 0.3
assign (resid  9 and name  O )(resid 13 and name   HN ) 2.0 0.5 0.3
assign (resid  9 and name  O )(resid 13 and name    N ) 3.0 0.6 0.3
assign (resid  10 and name  O )(resid 14 and name   HN ) 2.0 0.5 0.3
assign (resid  10 and name  O )(resid 14 and name    N ) 3.0 0.6 0.3
assign (resid  11 and name  O )(resid 15 and name   HN ) 2.0 0.5 0.3
assign (resid  11 and name  O )(resid 15 and name    N ) 3.0 0.6 0.3
assign (resid  12 and name  O )(resid 16 and name   HN ) 2.0 0.5 0.3
assign (resid  12 and name  O )(resid 16 and name    N ) 3.0 0.6 0.3
assign (resid  13 and name  O )(resid 17 and name   HN ) 2.0 0.5 0.3
assign (resid  13 and name  O )(resid 17 and name    N ) 3.0 0.6 0.3
assign (resid  14 and name  O )(resid 18 and name   HN ) 2.0 0.5 0.3
assign (resid  14 and name  O )(resid 18 and name    N ) 3.0 0.6 0.3
assign (resid  15 and name  O )(resid 19 and name   HN ) 2.0 0.5 0.3
assign (resid  15 and name  O )(resid 19 and name    N ) 3.0 0.6 0.3
assign (resid  16 and name  O )(resid 20 and name   HN ) 2.0 0.5 0.3
assign (resid  16 and name  O )(resid 20 and name    N ) 3.0 0.6 0.3
assign (resid  17 and name  O )(resid 21 and name   HN ) 2.0 0.5 0.3
assign (resid  17 and name  O )(resid 21 and name    N ) 3.0 0.6 0.3
assign (resid  18 and name  O )(resid 22 and name   HN ) 2.0 0.5 0.3
assign (resid  18 and name  O )(resid 22 and name    N ) 3.0 0.6 0.3
assign (resid  19 and name  O )(resid 23 and name   HN ) 2.0 0.5 0.3
assign (resid  19 and name  O )(resid 23 and name    N ) 3.0 0.6 0.3
assign (resid  20 and name  O )(resid 24 and name   HN ) 2.0 0.5 0.3
assign (resid  20 and name  O )(resid 24 and name    N ) 3.0 0.6 0.3
assign (resid  21 and name  O )(resid 25 and name   HN ) 2.0 0.5 0.3
assign (resid  21 and name  O )(resid 25 and name    N ) 3.0 0.6 0.3

! helix 2 
assign (resid  36 and name  O )(resid 40 and name   HN ) 2.0 0.5 0.3
assign (resid  36 and name  O )(resid 40 and name    N ) 3.0 0.6 0.3
assign (resid  37 and name  O )(resid 41 and name   HN ) 2.0 0.5 0.3
assign (resid  37 and name  O )(resid 41 and name    N ) 3.0 0.6 0.3
assign (resid  38 and name  O )(resid 42 and name   HN ) 2.0 0.5 0.3
assign (resid  38 and name  O )(resid 42 and name    N ) 3.0 0.6 0.3
assign (resid  39 and name  O )(resid 43 and name   HN ) 2.0 0.5 0.3
assign (resid  39 and name  O )(resid 43 and name    N ) 3.0 0.6 0.3
assign (resid  40 and name  O )(resid 44 and name   HN ) 2.0 0.5 0.3
assign (resid  40 and name  O )(resid 44 and name    N ) 3.0 0.6 0.3
assign (resid  41 and name  O )(resid 45 and name   HN ) 2.0 0.5 0.3
assign (resid  41 and name  O )(resid 45 and name    N ) 3.0 0.6 0.3
assign (resid  42 and name  O )(resid 46 and name   HN ) 2.0 0.5 0.3
assign (resid  42 and name  O )(resid 46 and name    N ) 3.0 0.6 0.3
assign (resid  43 and name  O )(resid 47 and name   HN ) 2.0 0.5 0.3
assign (resid  43 and name  O )(resid 47 and name    N ) 3.0 0.6 0.3

! helix 3 
assign (resid  54 and name  O )(resid 58 and name   HN ) 2.0 0.5 0.3
assign (resid  54 and name  O )(resid 58 and name    N ) 3.0 0.6 0.3
assign (resid  55 and name  O )(resid 59 and name   HN ) 2.0 0.5 0.3
assign (resid  55 and name  O )(resid 59 and name    N ) 3.0 0.6 0.3
assign (resid  56 and name  O )(resid 60 and name   HN ) 2.0 0.5 0.3
assign (resid  56 and name  O )(resid 60 and name    N ) 3.0 0.6 0.3
assign (resid  57 and name  O )(resid 61 and name   HN ) 2.0 0.5 0.3
assign (resid  57 and name  O )(resid 61 and name    N ) 3.0 0.6 0.3
assign (resid  58 and name  O )(resid 62 and name   HN ) 2.0 0.5 0.3
assign (resid  58 and name  O )(resid 62 and name    N ) 3.0 0.6 0.3
assign (resid  59 and name  O )(resid 63 and name   HN ) 2.0 0.5 0.3
assign (resid  59 and name  O )(resid 63 and name    N ) 3.0 0.6 0.3
assign (resid  60 and name  O )(resid 64 and name   HN ) 2.0 0.5 0.3
assign (resid  60 and name  O )(resid 64 and name    N ) 3.0 0.6 0.3
assign (resid  61 and name  O )(resid 65 and name   HN ) 2.0 0.5 0.3
assign (resid  61 and name  O )(resid 65 and name    N ) 3.0 0.6 0.3
assign (resid  62 and name  O )(resid 66 and name   HN ) 2.0 0.5 0.3
assign (resid  62 and name  O )(resid 66 and name    N ) 3.0 0.6 0.3
assign (resid  63 and name  O )(resid 67 and name   HN ) 2.0 0.5 0.3 
assign (resid  63 and name  O )(resid 67 and name    N ) 3.0 0.6 0.3 
assign (resid  64 and name  O )(resid 68 and name   HN ) 2.0 0.5 0.3 
assign (resid  64 and name  O )(resid 68 and name    N ) 3.0 0.6 0.3 
assign (resid  65 and name  O )(resid 69 and name   HN ) 2.0 0.5 0.3 
assign (resid  65 and name  O )(resid 69 and name    N ) 3.0 0.6 0.3 
assign (resid  66 and name  O )(resid 70 and name   HN ) 2.0 0.5 0.3 
assign (resid  66 and name  O )(resid 70 and name    N ) 3.0 0.6 0.3 
assign (resid  67 and name  O )(resid 71 and name   HN ) 2.0 0.5 0.3 
assign (resid  67 and name  O )(resid 71 and name    N ) 3.0 0.6 0.3 
assign (resid  68 and name  O )(resid 72 and name   HN ) 2.0 0.5 0.3
assign (resid  68 and name  O )(resid 72 and name    N ) 3.0 0.6 0.3

! helix 4 
assign (resid  85 and name  O )(resid 89 and name   HN ) 2.0 0.5 0.3
assign (resid  85 and name  O )(resid 89 and name    N ) 3.0 0.6 0.3
assign (resid  86 and name  O )(resid 90 and name   HN ) 2.0 0.5 0.3
assign (resid  86 and name  O )(resid 90 and name    N ) 3.0 0.6 0.3
assign (resid  87 and name  O )(resid 91 and name   HN ) 2.0 0.5 0.3
assign (resid  87 and name  O )(resid 91 and name    N ) 3.0 0.6 0.3
assign (resid  88 and name  O )(resid 92 and name   HN ) 2.0 0.5 0.3
assign (resid  88 and name  O )(resid 92 and name    N ) 3.0 0.6 0.3
assign (resid  89 and name  O )(resid 93 and name   HN ) 2.0 0.5 0.3
assign (resid  89 and name  O )(resid 93 and name    N ) 3.0 0.6 0.3
assign (resid  90 and name  O )(resid 94 and name   HN ) 2.0 0.5 0.3
assign (resid  90 and name  O )(resid 94 and name    N ) 3.0 0.6 0.3
assign (resid  91 and name  O )(resid 95 and name   HN ) 2.0 0.5 0.3
assign (resid  91 and name  O )(resid 95 and name    N ) 3.0 0.6 0.3
assign (resid  92 and name  O )(resid 96 and name   HN ) 2.0 0.5 0.3
assign (resid  92 and name  O )(resid 96 and name    N ) 3.0 0.6 0.3
assign (resid  93 and name  O )(resid 97 and name   HN ) 2.0 0.5 0.3
assign (resid  93 and name  O )(resid 97 and name    N ) 3.0 0.6 0.3
assign (resid  94 and name  O )(resid 98 and name   HN ) 2.0 0.5 0.3
assign (resid  94 and name  O )(resid 98 and name    N ) 3.0 0.6 0.3
assign (resid  95 and name  O )(resid 99 and name   HN ) 2.0 0.5 0.3
assign (resid  95 and name  O )(resid 99 and name    N ) 3.0 0.6 0.3
assign (resid  96 and name  O )(resid 100 and name   HN ) 2.0 0.5 0.3
assign (resid  96 and name  O )(resid 100 and name    N ) 3.0 0.6 0.3
assign (resid  97 and name  O )(resid 101 and name   HN ) 2.0 0.5 0.3
assign (resid  97 and name  O )(resid 101 and name    N ) 3.0 0.6 0.3


!SEGID b
! helix 1
assign (resid 208 and name O )(resid 212 and name HN ) 2.0 0.5 0.3
assign (resid 208 and name O )(resid 212 and name N ) 3.0 0.6 0.3
assign (resid 209 and name O )(resid 213 and name HN ) 2.0 0.5 0.3
assign (resid 209 and name O )(resid 213 and name N ) 3.0 0.6 0.3
assign (resid 210 and name O )(resid 214 and name HN ) 2.0 0.5 0.3
assign (resid 210 and name O )(resid 214 and name N ) 3.0 0.6 0.3
assign (resid 211 and name O )(resid 215 and name HN ) 2.0 0.5 0.3
assign (resid 211 and name O )(resid 215 and name N ) 3.0 0.6 0.3
assign (resid 212 and name O )(resid 216 and name HN ) 2.0 0.5 0.3
assign (resid 212 and name O )(resid 216 and name N ) 3.0 0.6 0.3
assign (resid 213 and name O )(resid 217 and name HN ) 2.0 0.5 0.3
assign (resid 213 and name O )(resid 217 and name N ) 3.0 0.6 0.3
assign (resid 214 and name O )(resid 218 and name HN ) 2.0 0.5 0.3
assign (resid 214 and name O )(resid 218 and name N ) 3.0 0.6 0.3
assign (resid 215 and name O )(resid 219 and name HN ) 2.0 0.5 0.3
assign (resid 215 and name O )(resid 219 and name N ) 3.0 0.6 0.3
assign (resid 216 and name O )(resid 220 and name HN ) 2.0 0.5 0.3
assign (resid 216 and name O )(resid 220 and name N ) 3.0 0.6 0.3
assign (resid 217 and name O )(resid 221 and name HN ) 2.0 0.5 0.3
assign (resid 217 and name O )(resid 221 and name N ) 3.0 0.6 0.3
assign (resid 218 and name O )(resid 222 and name HN ) 2.0 0.5 0.3
assign (resid 218 and name O )(resid 222 and name N ) 3.0 0.6 0.3
assign (resid 219 and name O )(resid 223 and name HN ) 2.0 0.5 0.3
assign (resid 219 and name O )(resid 223 and name N ) 3.0 0.6 0.3
assign (resid 220 and name O )(resid 224 and name HN ) 2.0 0.5 0.3
assign (resid 220 and name O )(resid 224 and name N ) 3.0 0.6 0.3
assign (resid 221 and name O )(resid 225 and name HN ) 2.0 0.5 0.3
assign (resid 221 and name O )(resid 225 and name N ) 3.0 0.6 0.3

! helix 2 
assign (resid 236 and name O )(resid 240 and name HN ) 2.0 0.5 0.3
assign (resid 236 and name O )(resid 240 and name N ) 3.0 0.6 0.3
assign (resid 237 and name O )(resid 241 and name HN ) 2.0 0.5 0.3
assign (resid 237 and name O )(resid 241 and name N ) 3.0 0.6 0.3
assign (resid 238 and name O )(resid 242 and name HN ) 2.0 0.5 0.3
assign (resid 238 and name O )(resid 242 and name N ) 3.0 0.6 0.3
assign (resid 239 and name O )(resid 243 and name HN ) 2.0 0.5 0.3
assign (resid 239 and name O )(resid 243 and name N ) 3.0 0.6 0.3
assign (resid 240 and name O )(resid 244 and name HN ) 2.0 0.5 0.3
assign (resid 240 and name O )(resid 244 and name N ) 3.0 0.6 0.3
assign (resid 241 and name O )(resid 245 and name HN ) 2.0 0.5 0.3
assign (resid 241 and name O )(resid 245 and name N ) 3.0 0.6 0.3
assign (resid 242 and name O )(resid 246 and name HN ) 2.0 0.5 0.3
assign (resid 242 and name O )(resid 246 and name N ) 3.0 0.6 0.3
assign (resid 243 and name O )(resid 247 and name HN ) 2.0 0.5 0.3
assign (resid 243 and name O )(resid 247 and name N ) 3.0 0.6 0.3

! helix 3 
assign (resid 254 and name O )(resid 258 and name HN ) 2.0 0.5 0.3
assign (resid 254 and name O )(resid 258 and name N ) 3.0 0.6 0.3
assign (resid 255 and name O )(resid 259 and name HN ) 2.0 0.5 0.3
assign (resid 255 and name O )(resid 259 and name N ) 3.0 0.6 0.3
assign (resid 256 and name O )(resid 260 and name HN ) 2.0 0.5 0.3
assign (resid 256 and name O )(resid 260 and name N ) 3.0 0.6 0.3
assign (resid 257 and name O )(resid 261 and name HN ) 2.0 0.5 0.3
assign (resid 257 and name O )(resid 261 and name N ) 3.0 0.6 0.3
assign (resid 258 and name O )(resid 262 and name HN ) 2.0 0.5 0.3
assign (resid 258 and name O )(resid 262 and name N ) 3.0 0.6 0.3
assign (resid 259 and name O )(resid 263 and name HN ) 2.0 0.5 0.3
assign (resid 259 and name O )(resid 263 and name N ) 3.0 0.6 0.3
assign (resid 260 and name O )(resid 264 and name HN ) 2.0 0.5 0.3
assign (resid 260 and name O )(resid 264 and name N ) 3.0 0.6 0.3
assign (resid 261 and name O )(resid 265 and name HN ) 2.0 0.5 0.3
assign (resid 261 and name O )(resid 265 and name N ) 3.0 0.6 0.3
assign (resid 262 and name O )(resid 266 and name HN ) 2.0 0.5 0.3
assign (resid 262 and name O )(resid 266 and name N ) 3.0 0.6 0.3
assign (resid 263 and name O )(resid 267 and name HN ) 2.0 0.5 0.3 
assign (resid 263 and name O )(resid 267 and name N ) 3.0 0.6 0.3 
assign (resid 264 and name O )(resid 268 and name HN ) 2.0 0.5 0.3
assign (resid 264 and name O )(resid 268 and name N ) 3.0 0.6 0.3 
assign (resid 265 and name O )(resid 269 and name HN ) 2.0 0.5 0.3 
assign (resid 265 and name O )(resid 269 and name N ) 3.0 0.6 0.3
assign (resid 266 and name O )(resid 270 and name HN ) 2.0 0.5 0.3
assign (resid 266 and name O )(resid 270 and name N ) 3.0 0.6 0.3 
assign (resid 267 and name O )(resid 271 and name HN ) 2.0 0.5 0.3 
assign (resid 267 and name O )(resid 271 and name N ) 3.0 0.6 0.3 
assign (resid 268 and name O )(resid 272 and name HN ) 2.0 0.5 0.3
assign (resid 268 and name O )(resid 272 and name N ) 3.0 0.6 0.3

! helix 4 
assign (resid 285 and name O )(resid 289 and name HN ) 2.0 0.5 0.3
assign (resid 285 and name O )(resid 289 and name N ) 3.0 0.6 0.3
assign (resid 286 and name O )(resid 290 and name HN ) 2.0 0.5 0.3
assign (resid 286 and name O )(resid 290 and name N ) 3.0 0.6 0.3
assign (resid 287 and name O )(resid 291 and name HN ) 2.0 0.5 0.3
assign (resid 287 and name O )(resid 291 and name N ) 3.0 0.6 0.3
assign (resid 288 and name O )(resid 292 and name HN ) 2.0 0.5 0.3
assign (resid 288 and name O )(resid 292 and name N ) 3.0 0.6 0.3
assign (resid 289 and name O )(resid 293 and name HN ) 2.0 0.5 0.3
assign (resid 289 and name O )(resid 293 and name N ) 3.0 0.6 0.3
assign (resid 290 and name O )(resid 294 and name HN ) 2.0 0.5 0.3
assign (resid 290 and name O )(resid 294 and name N ) 3.0 0.6 0.3
assign (resid 291 and name O )(resid 295 and name HN ) 2.0 0.5 0.3
assign (resid 291 and name O )(resid 295 and name N ) 3.0 0.6 0.3
assign (resid 292 and name O )(resid 296 and name HN ) 2.0 0.5 0.3
assign (resid 292 and name O )(resid 296 and name N ) 3.0 0.6 0.3
assign (resid 293 and name O )(resid 297 and name HN ) 2.0 0.5 0.3
assign (resid 293 and name O )(resid 297 and name N ) 3.0 0.6 0.3
assign (resid 294 and name O )(resid 298 and name HN ) 2.0 0.5 0.3
assign (resid 294 and name O )(resid 298 and name N ) 3.0 0.6 0.3
assign (resid 295 and name O )(resid 299 and name HN ) 2.0 0.5 0.3
assign (resid 295 and name O )(resid 299 and name N ) 3.0 0.6 0.3
assign (resid 296 and name O )(resid 300 and name HN ) 2.0 0.5 0.3
assign (resid 296 and name O )(resid 300 and name N ) 3.0 0.6 0.3
assign (resid 297 and name O )(resid 301 and name HN ) 2.0 0.5 0.3
assign (resid 297 and name O )(resid 301 and name N ) 3.0 0.6 0.3

! pck2xplr.nawk Table; Input File: monomer_c13c13.PCK
!   Date: Sun Aug  3 20:34:34 CDT 2003
!   Path: /home/vakon/NMR_data/KaiA/Th180C/Structure/analysis/noe
!
!@ BEGIN_XPLR_PCK_SUM
! LBL   File-Name                   All   Intra  Seq.  Short   Long
! A   monomer_c13c13.PCK            873   155     86    306    326
!    Total                          873   155     86    306    326

!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE

! SEGID a
!
! A1

! M2
assign (resid   2 and name   HA ) (resid   2 and name  HG# )  2.5  0.7  0.7 ! A.693  at 4.47e+06

! A3

! R4
assign (resid   4 and name   HA ) (resid   4 and name  HG# )  3.0  1.2  0.8 ! A.688  at 1.31e+06
assign (resid   4 and name  HD# ) (resid   4 and name  HB2 )  3.0  1.2  0.8 ! A.686  at 1.29e+06

! M5
assign (resid   5 and name  HG# ) (resid   9 and name  HB2 )  3.0  1.2  0.8 ! A.758  at -1.26e+06
assign (resid   5 and name  HG# ) (resid   9 and name  HB1 )  4.0  2.2  1.5 ! A.752  at -1.24e+06
assign (resid   5 and name  HG# ) (resid   9 and name   HA )  4.0  2.2  1.5 ! A.754  at 5.81e+05

! S6
assign (resid   6 and name   HA ) (resid   7 and name  HB1 )  4.0  2.2  1.0 ! A.721  at 5.28e+05
assign (resid   6 and name   HA ) (resid   7 and name  HB2 )  4.0  2.2  2.0 ! A.722  at 4.74e+05
assign (resid   6 and name  HB2 ) (resid   7 and name  HD1 )  4.0  2.2  1.0 ! A.291  at -1.89e+06 (widened1)
assign (resid   6 and name   HA ) (resid   7 and name  HD1 )  2.5  0.7  0.2 ! A.289  at -5.90e+06
assign (resid   6 and name  HB1 ) (resid   7 and name  HD1 )  3.0  1.2  0.3 ! A.292  at -2.54e+06
assign (resid   6 and name  HB1 ) (resid   7 and name  HD2 )  3.0  1.2  0.3 ! A.295  at -2.60e+06
assign (resid   6 and name   HA ) (resid   7 and name  HD2 )  2.5  0.7  0.2 ! A.293  at -5.54e+06
assign (resid   6 and name  HB2 ) (resid   7 and name  HD2 )  3.0  1.2  0.3 ! A.294  at -1.76e+06 
assign (resid   6 and name   HA ) (resid   7 and name  HG1 )  4.0  2.2  1.0 ! A.701  at 7.94e+05
assign (resid   6 and name  HB1 ) (resid   7 and name  HG1 )  4.0  2.2  1.0 ! A.704  at 5.87e+05
assign (resid   6 and name   HA ) (resid   7 and name  HG2 )  4.0  2.2  1.0 ! A.702  at 7.93e+05
assign (resid   6 and name   HA ) (resid   7 and name   HA )  4.0  2.2  1.0 ! A.699  at 8.18e+05
assign (resid   6 and name  HB1 ) (resid   8 and name  HB# )  4.0  2.2  1.5 ! A.285  at 8.29e+05
assign (resid   6 and name  HB2 ) (resid   8 and name  HB# )  4.0  2.2  1.5 ! A.709  at 5.48e+05

! P7
assign (resid   7 and name   HA ) (resid  10 and name  HB2 )  3.0  1.2  0.3 ! A.1    at 1.65e+06
assign (resid   7 and name   HA ) (resid  10 and name  HD# )  4.0  2.2  1.5 ! A.775  at 9.11e+05
assign (resid   7 and name   HA ) (resid  10 and name  HG# )  4.0  2.2  1.5 ! A.773  at 6.48e+05

! A8
assign (resid   8 and name  HB# ) (resid   9 and name   HA )  4.0  2.2  1.5 ! A.742  at 8.09e+05
assign (resid   8 and name  HB# ) (resid  11 and name  HB# )  4.0  2.2  2.0 ! A.791  at 9.39e+05
assign (resid   8 and name   HA ) (resid  11 and name  HB# )  3.0  1.2  0.8 ! A.792  at 2.22e+06
assign (resid   8 and name  HB# ) (resid  11 and name  HD# )  4.0  2.2  2.0 ! A.744  at -5.93e+05
assign (resid   8 and name   HA ) (resid  11 and name  HG# )  4.0  2.2  1.5 ! A.738  at 1.04e+06
assign (resid   8 and name   HA ) (resid  11 and name  HD# )  4.0  2.2  1.5 ! A.740  at -8.49e+05
assign (resid   8 and name  HB# ) (resid  12 and name  HE# )  4.0  2.2  2.0 ! A.821  at -8.85e+05

! D9
assign (resid   9 and name   HA ) (resid  12 and name  HB# )  2.5  0.7  0.7 ! A.756  at 3.61e+06
assign (resid   9 and name   HA ) (resid  12 and name  HD# )  3.0  1.2  0.8 ! A.963  at 1.51e+06
assign (resid   9 and name   HA ) (resid  12 and name  HG1 )  4.0  2.2  1.0 ! A.812  at 6.04e+05

! K10
assign (resid  10 and name  HE# ) (resid  10 and name  HB2 )  4.0  2.2  1.5 ! A.772  at -1.04e+06
assign (resid  10 and name   HA ) (resid  10 and name  HD# )  2.5  0.7  0.7 ! A.776  at 4.34e+06
assign (resid  10 and name  HG# ) (resid  10 and name   HA )  2.5  0.7  0.7 ! A.766  at 4.00e+06
assign (resid  10 and name   HA ) (resid  13 and name HD* )  2.5  0.7  0.7 ! A.875  at 4.35e+06
assign (resid  10 and name  HE# ) (resid  13 and name HD* )  3.0  1.2  1.3 ! A.840  at -2.79e+06
assign (resid  10 and name   HA ) (resid  13 and name  HB1 )  3.0  1.2  0.3 ! A.12   at -1.91e+06
assign (resid  10 and name  HE# ) (resid  14 and name HD1# )  3.0  1.2  1.3 ! A.2129 at -1.38e+06
assign (resid  10 and name  HE# ) (resid  14 and name HD2# )  3.0  1.2  1.3 ! A.779  at -3.06e+06
assign (resid  10 and name  HE# ) (resid  49 and name  HB# )  3.0  1.2  1.3 ! A.785  at -1.28e+06
assign (resid  10 and name  HE# ) (resid  51 and name HD1# )  4.0  2.2  2.0 ! A.1712 at 1.09e+06
assign (resid  10 and name  HD# ) (resid  51 and name HD1# )  4.0  2.2  2.0 ! A.1723 at -8.11e+05
assign (resid  10 and name  HE# ) (resid  51 and name HG2# )  4.0  2.2  3.0 ! A.1709 at -4.86e+05

! R11
assign (resid  11 and name   HA ) (resid  11 and name  HD# )  3.0  1.2  0.8 ! A.797  at -2.72e+06
assign (resid  11 and name  HG# ) (resid  11 and name   HA )  2.5  0.7  0.7 ! A.788  at 6.15e+06
assign (resid  11 and name  HD# ) (resid  14 and name HD2# )  3.0  1.2  1.3 ! A.874  at -1.42e+06
assign (resid  11 and name   HA ) (resid  14 and name  HB2 )  2.5  0.7  0.2 ! A.13   at -3.51e+06
assign (resid  11 and name  HD# ) (resid  14 and name  HB2 )  4.0  2.2  1.5 ! A.825  at 5.92e+05

! K12
assign (resid  12 and name  HG1 ) (resid  12 and name   HA )  3.0  1.2  0.3 ! A.804  at 2.21e+06
assign (resid  12 and name  HD# ) (resid  12 and name   HA )  3.0  1.2  0.8 ! A.807  at 2.19e+06
assign (resid  12 and name  HG2 ) (resid  12 and name   HA )  3.0  1.2  0.3 ! A.805  at 2.23e+06
assign (resid  12 and name   HA ) (resid  15 and name  HB2 )  3.0  1.2  0.3 ! A.27   at -2.44e+06

! L13
assign (resid  13 and name HD* ) (resid  13 and name   HA )  2.5  0.7  0.7 ! A.826  at 6.91e+06
assign (resid  13 and name   HA ) (resid  16 and name  HB# )  2.5  0.7  0.7 ! A.14   at 3.71e+06
assign (resid  13 and name HD* ) (resid  16 and name  HB# )  4.0  2.2  2.0 ! A.1467 at 1.18e+06
assign (resid  13 and name   HG ) (resid  16 and name  HG# )  4.0  2.2  1.5 ! A.916  at -7.24e+05
assign (resid  13 and name HD* ) (resid  45 and name  HD1 )  4.0  2.2  1.5 ! A.1582 at 6.79e+05
assign (resid  13 and name HD* ) (resid  45 and name  HD2 )  4.0  2.2  2.5 ! A.2395 at 4.48e+05
assign (resid  13 and name HD* ) (resid  45 and name  HB2 )  4.0  2.2  1.5 ! A.1566 at -1.13e+06
assign (resid  13 and name HD* ) (resid  45 and name  HB1 )  4.0  2.2  1.5 ! A.1569 at -1.18e+06
assign (resid 13 and name HD* ) (resid 48 and name HD# ) 3.0 1.2 0.8 ! A.1634 at -1.28e+06 
assign (resid  13 and name HD* ) (resid  48 and name  HB# )  4.0  2.2  2.0 ! A.1632 at -7.87e+05
assign (resid  13 and name HD* ) (resid  49 and name   HA )  3.0  1.2  0.8 ! A.1641 at -1.70e+06
assign (resid  13 and name HD* ) (resid  49 and name  HB# )  2.5  0.7  1.2 ! A.886  at 8.94e+06

! L14
assign (resid  14 and name HD1# ) (resid  14 and name   HA )  2.5  0.7  0.7 ! A.856  at 5.18e+06
assign (resid  14 and name   HG ) (resid  14 and name   HA )  3.0  1.2  0.3 ! A.855  at 2.37e+06
assign (resid  14 and name HD2# ) (resid  14 and name   HA )  3.0  1.2  0.8 ! A.857  at 2.79e+06
assign (resid  14 and name   HG ) (resid  17 and name HD1# )  3.0  1.2  0.8 ! A.833  at 1.39e+06
assign (resid  14 and name   HA ) (resid  17 and name HD1# )  3.0  1.2  0.8 ! A.862  at 2.59e+06
assign (resid  14 and name HD2# ) (resid  17 and name HD1# )  2.5  0.7  1.2 ! A.864  at 4.94e+06
assign (resid  14 and name HD1# ) (resid  17 and name HD1# )  2.5  0.7  1.2 ! A.2436 at 4.12e+06
assign (resid  14 and name HD2# ) (resid  17 and name HD2# )  3.0  1.2  1.3 ! A.2201 at 3.05e+06
assign (resid  14 and name HD2# ) (resid  17 and name  HB2 )  4.0  2.2  1.5 ! A.934  at -7.09e+05
assign (resid  14 and name HD1# ) (resid  17 and name  HB2 )  4.0  2.2  2.5 ! A.935  at -4.33e+05
assign (resid  14 and name   HA ) (resid  17 and name HD2# )  4.0  2.2  1.5 ! A.852  at 8.39e+05
assign (resid  14 and name   HA ) (resid  17 and name  HB2 )  3.0  1.2  0.3 ! A.5    at -1.56e+06
assign (resid  14 and name   HA ) (resid  17 and name  HB1 )  4.0  2.2  1.0 ! A.6    at -7.42e+05
assign (resid  14 and name HD2# ) (resid  45 and name  HE# )  3.0  1.2  1.3 ! A.2130 at -2.22e+06
assign (resid  14 and name HD1# ) (resid  46 and name  HB# )  4.0  2.2  2.0 ! A.895  at 6.00e+05
assign (resid  14 and name HD2# ) (resid  46 and name   HA )  4.0  2.2  1.5 ! A.1603 at 8.13e+05
assign (resid  14 and name HD2# ) (resid  49 and name  HB# )  2.5  0.7  1.2 ! A.1650 at 8.87e+06
assign (resid  14 and name HD2# ) (resid  51 and name HD1# )  2.5  0.7  1.2 ! A.1716 at -4.15e+06
assign (resid  14 and name HD1# ) (resid  51 and name HD1# )  3.0  1.2  1.3 ! A.1718 at -3.09e+06
assign (resid  14 and name   HG ) (resid  51 and name HD1# )  4.0  2.2  1.5 ! A.1722 at -9.87e+05
assign (resid  14 and name HD1# ) (resid  51 and name   HA )  4.0  2.2  1.5 ! A.1672 at 7.42e+05
assign (resid  14 and name HD2# ) (resid  51 and name   HA )  4.0  2.2  1.5 ! A.1673 at 1.24e+06
assign (resid  14 and name HD2# ) (resid  51 and name HG2# )  3.0  1.2  1.3 ! A.1704 at 3.19e+06
assign (resid  14 and name HD1# ) (resid  55 and name  HB2 )  4.0  2.2  1.5 ! A.1775 at 6.11e+05
assign (resid  14 and name HD1# ) (resid  55 and name  HB1 )  3.0  1.2  0.8 ! A.1779 at 2.03e+06
assign (resid  14 and name HD2# ) (resid  55 and name  HB1 )  3.0  1.2  0.8 ! A.1782 at 1.45e+06
assign (resid  14 and name HD2# ) (resid  55 and name  HG# )  3.0  1.2  1.3 ! A.873  at -1.30e+06
assign (resid  14 and name HD1# ) (resid  55 and name  HG# )  3.0  1.2  1.3 ! A.893  at -1.70e+06

! D15
assign (resid  15 and name   HA ) (resid  18 and name  HD# )  2.5  0.7  0.7 ! A.902  at -3.60e+06
assign (resid  15 and name   HA ) (resid  18 and name  HB# )  3.0  1.2  0.8 ! A.901  at 2.11e+06

! E16
assign (resid  16 and name  HB# ) (resid  19 and name  HB# )  4.0  2.2  2.0 ! A.904  at 6.05e+05
assign (resid  16 and name   HA ) (resid  19 and name  HB# )  2.5  0.7  0.7 ! A.977  at 5.49e+06
assign (resid  16 and name  HG# ) (resid  19 and name  HB# )  4.0  2.2  2.0 ! A.917  at -7.13e+05
assign (resid  16 and name  HG# ) (resid  20 and name HD1# )  3.0  1.2  1.3 ! A.909  at -1.49e+06
assign (resid  16 and name   HA ) (resid  20 and name HD1# )  4.0  2.2  1.5 ! A.1023 at 6.84e+05
assign (resid  16 and name  HB# ) (resid  45 and name  HE# )  3.0  1.2  1.3 ! A.1600 at -1.58e+06

! L17
assign (resid  17 and name  HB2 ) (resid  17 and name HD1# )  3.0  1.2  0.8 ! A.867  at -2.03e+06
assign (resid  17 and name HD2# ) (resid  17 and name   HA )  2.5  0.7  0.7 ! A.921  at 5.60e+06
assign (resid  17 and name HD1# ) (resid  17 and name   HA )  4.0  2.2  1.5 ! A.922  at 1.12e+06
assign (resid  17 and name   HG ) (resid  20 and name HD1# )  4.0  2.2  2.5 ! A.940  at 4.13e+05
assign (resid  17 and name HD2# ) (resid  20 and name HD1# )  3.0  1.2  1.3 ! A.105  at 2.90e+06
assign (resid  17 and name HD2# ) (resid  20 and name   HB )  4.0  2.2  1.5 ! A.945  at -7.40e+05
assign (resid  17 and name   HA ) (resid  20 and name HG2# )  4.0  2.2  1.5 ! A.1009 at 7.26e+05
assign (resid  17 and name HD2# ) (resid  20 and name HG2# )  4.0  2.2  2.0 ! A.192  at 1.24e+06
assign (resid  17 and name   HA ) (resid  20 and name   HB )  4.0  2.2  1.0 ! A.989  at -1.19e+06
assign (resid  17 and name   HA ) (resid  20 and name HD1# )  3.0  1.2  0.8 ! A.920  at 2.23e+06
assign (resid 17 and name HD2# ) (resid 42 and name HD# ) 4.0 2.2 1.5 ! A.570 at -6.88e+05 
assign (resid 17 and name HD2# ) (resid 42 and name HE# ) 4.0 2.2 1.5 ! A.2409 at -6.20e+05 
assign (resid  17 and name HD2# ) (resid  42 and name   HA )  3.0  1.2  0.8 ! A.101  at 1.91e+06
assign (resid  17 and name HD2# ) (resid  45 and name  HD1 )  4.0  2.2  1.5 ! A.1581 at 8.27e+05
assign (resid  17 and name HD2# ) (resid  45 and name  HD2 )  4.0  2.2  1.5 ! A.1585 at 8.46e+05
assign (resid  17 and name HD2# ) (resid  45 and name  HG1 )  4.0  2.2  1.5 ! A.834  at 1.06e+06
assign (resid  17 and name HD2# ) (resid  45 and name  HE# )  4.0  2.2  2.0 ! A.951  at -6.33e+05
assign (resid  17 and name HD2# ) (resid  45 and name  HB1 )  3.0  1.2  0.8 ! A.950  at -2.04e+06
assign (resid  17 and name HD2# ) (resid  45 and name  HB2 )  3.0  1.2  0.8 ! A.949  at -1.93e+06
assign (resid  17 and name HD1# ) (resid  46 and name   HA )  3.0  1.2  0.8 ! A.131  at 2.08e+06
assign (resid  17 and name HD1# ) (resid  46 and name  HB# )  3.0  1.2  1.3 ! A.133  at 2.41e+06
assign (resid  17 and name HD2# ) (resid  46 and name   HA )  4.0  2.2  1.5 ! A.100  at 1.17e+06
assign (resid  17 and name HD2# ) (resid  46 and name  HB# )  3.0  1.2  1.3 ! A.104  at 2.94e+06
assign (resid  17 and name HD2# ) (resid  49 and name  HB# )  4.0  2.2  3.0 ! A.2148 at -4.87e+05
assign (resid  17 and name HD1# ) (resid  51 and name HD1# )  2.5  0.7  1.2 ! A.146  at -4.10e+06
assign (resid  17 and name HD2# ) (resid  51 and name HD1# )  4.0  2.2  2.0 ! A.1720 at -6.99e+05
assign (resid  17 and name HD1# ) (resid  51 and name HG2# )  3.0  1.2  1.3 ! A.132  at 2.20e+06
assign (resid  17 and name HD1# ) (resid  51 and name HG11 )  4.0  2.2  1.5 ! A.942  at 8.70e+05
assign (resid  17 and name HD1# ) (resid  51 and name HG12 )  4.0  2.2  1.5 ! A.943  at 8.95e+05
assign (resid  17 and name HD2# ) (resid  51 and name HG2# )  4.0  2.2  2.0 ! A.226  at 7.23e+05
assign (resid  17 and name HD1# ) (resid  56 and name HG2# )  4.0  2.2  2.0 ! A.1819 at 6.25e+05
assign (resid  17 and name HD1# ) (resid  59 and name HD1# )  3.0  1.2  1.3 ! A.863  at 1.47e+06
assign (resid  17 and name  HB2 ) (resid  59 and name HD1# )  4.0  2.2  1.5 ! A.936  at -6.60e+05
assign (resid  17 and name HD2# ) (resid  59 and name HD1# )  4.0  2.2  2.0 ! A.1899 at 8.31e+05
assign (resid  17 and name  HB1 ) (resid  59 and name HD1# )  4.0  2.2  1.5 ! A.1898 at -7.67e+05

! R18
assign (resid  18 and name   HA ) (resid  18 and name  HD# )  4.0  2.2  1.5 ! A.968  at -7.47e+05
assign (resid  18 and name   HA ) (resid  21 and name  HB2 )  4.0  2.2  1.0 ! A.1657 at -7.08e+05
assign (resid  18 and name   HA ) (resid  21 and name  HB1 )  4.0  2.2  1.0 ! A.9    at -7.09e+05
assign (resid  18 and name  HG# ) (resid  59 and name HD1# )  4.0  2.2  2.0 ! A.962  at 6.36e+05
assign (resid  18 and name  HG# ) (resid  59 and name HG2# )  3.0  1.2  1.3 ! A.1889 at 1.47e+06
assign (resid  18 and name  HD# ) (resid  59 and name HG2# )  4.0  2.2  2.0 ! A.967  at -5.42e+05
assign (resid  18 and name   HA ) (resid  59 and name HG2# )  2.5  0.7  0.7 ! A.373  at 4.27e+06
assign (resid  18 and name   HA ) (resid  59 and name HD1# )  3.0  1.2  0.8 ! A.372  at 1.42e+06
assign (resid  18 and name  HD# ) (resid  59 and name HD1# )  4.0  2.2  2.0 ! A.1902 at -6.92e+05

! S19
assign (resid  19 and name  HB# ) (resid  20 and name HG12 )  4.0  2.2  1.5 ! A.999  at 5.20e+05
assign (resid  19 and name   HA ) (resid  22 and name  HD# )  3.0  1.2  0.8 ! A.1066 at -1.39e+06
assign (resid  19 and name  HB# ) (resid  22 and name  HD# )  4.0  2.2  2.0 ! A.980  at -7.68e+05
assign (resid  19 and name   HA ) (resid  22 and name  HG1 )  4.0  2.2  1.0 ! A.974  at 6.06e+05
assign (resid  19 and name   HA ) (resid  22 and name  HB2 )  4.0  2.2  1.0 ! A.17   at 9.76e+05
assign (resid  19 and name   HA ) (resid  22 and name  HB1 )  4.0  2.2  1.0 ! A.15   at 1.24e+06

! I20
assign (resid  20 and name   HA ) (resid  20 and name HG11 )  3.0  1.2  0.3 ! A.996  at 1.45e+06
assign (resid  20 and name HG2# ) (resid  20 and name   HA )  2.5  0.7  0.7 ! A.982  at 4.88e+06
assign (resid  20 and name HG12 ) (resid  20 and name   HA )  3.0  1.2  0.3 ! A.985  at 1.58e+06
assign (resid  20 and name HD1# ) (resid  20 and name   HA )  3.0  1.2  0.8 ! A.983  at 1.90e+06
assign (resid  20 and name   HA ) (resid  23 and name   HB )  3.0  1.2  0.3 ! A.1075 at 2.70e+06
assign (resid  20 and name HG2# ) (resid  23 and name   HB )  4.0  2.2  1.5 ! A.1076 at 1.10e+06
assign (resid  20 and name   HA ) (resid  23 and name HG2# )  4.0  2.2  1.5 ! A.984  at 1.20e+06
assign (resid  20 and name HG2# ) (resid  24 and name HD1# )  2.5  0.7  1.2 ! A.193  at 3.75e+06
assign (resid  20 and name HG2# ) (resid  24 and name HG2# )  4.0  2.2  2.0 ! A.1014 at 6.17e+05
assign (resid  20 and name   HB ) (resid  24 and name HD1# )  4.0  2.2  1.5 ! A.995  at -5.57e+05
assign (resid  20 and name HG2# ) (resid  38 and name  HB1 )  4.0  2.2  1.5 ! A.1411 at 8.54e+05
assign (resid  20 and name HG2# ) (resid  38 and name  HG# )  3.0  1.2  1.3 ! A.1011 at 1.46e+06
assign (resid  20 and name HG2# ) (resid  38 and name  HD1 )  3.0  1.2  0.8 ! A.969  at -1.34e+06
assign (resid  20 and name HG2# ) (resid  38 and name  HD2 )  4.0  2.2  1.5 ! A.1399 at -1.08e+06
assign (resid  20 and name HG2# ) (resid  38 and name   HA )  4.0  2.2  1.5 ! A.1008 at 8.66e+05
assign (resid  20 and name HG2# ) (resid  39 and name HG11 )  4.0  2.2  1.5 ! A.1010 at 1.08e+06
assign (resid  20 and name HG2# ) (resid  39 and name   HA )  4.0  2.2  1.5 ! A.1006 at 6.18e+05
assign (resid  20 and name HG2# ) (resid  41 and name  HB2 )  4.0  2.2  1.5 ! A.905  at 7.28e+05
assign (resid  20 and name HG2# ) (resid  41 and name  HG1 )  4.0  2.2  1.5 ! A.1476 at -7.74e+05
assign (resid  20 and name HG2# ) (resid  41 and name  HG2 )  4.0  2.2  1.5 ! A.1012 at -6.36e+05
assign (resid  20 and name HD1# ) (resid  41 and name  HG2 )  3.0  1.2  0.8 ! A.1469 at -2.91e+06
assign (resid 20 and name HB ) (resid 42 and name HD# ) 4.0 2.2 1.0 ! A.1494 at 5.67e+05 
assign (resid 20 and name HG2# ) (resid 42 and name HD# ) 3.0 1.2 0.8 ! A.185 at -1.50e+06 
assign (resid  20 and name HD1# ) (resid  42 and name   HA )  3.0  1.2  0.8 ! A.400  at 1.41e+06
assign (resid  20 and name HG2# ) (resid  42 and name   HA )  3.0  1.2  0.8 ! A.399  at 2.20e+06
assign (resid  20 and name   HB ) (resid  42 and name   HA )  4.0  2.2  2.0 ! A.1480 at -4.82e+05
assign (resid  20 and name HG2# ) (resid  42 and name  HB1 )  3.0  1.2  0.8 ! A.190  at -1.35e+06
assign (resid  20 and name HG2# ) (resid  42 and name  HB2 )  3.0  1.2  0.8 ! A.1488 at -1.29e+06
assign (resid 20 and name HD1# ) (resid 42 and name HD# ) 4.0 2.2 1.5 ! A.1024 at -7.36e+05 
assign (resid  20 and name HD1# ) (resid  45 and name  HD1 )  4.0  2.2  1.5 ! A.1583 at 8.77e+05
assign (resid  20 and name HD1# ) (resid  45 and name  HD2 )  3.0  1.2  0.8 ! A.1018 at 1.73e+06
assign (resid  20 and name HD1# ) (resid  45 and name  HE# )  3.0  1.2  1.3 ! A.780  at -1.88e+06
assign (resid  20 and name HD1# ) (resid  45 and name  HG1 )  4.0  2.2  1.5 ! A.1025 at 9.74e+05

! Y21
assign (resid 21 and name HD# ) (resid 21 and name HA ) 3.0 1.2 0.3 ! A.403 at -1.47e+06 
assign (resid 21 and name HD# ) (resid 24 and name HD1# ) 4.0 2.2 1.5 ! A.527 at -8.21e+05 
assign (resid  21 and name   HA ) (resid  24 and name   HB )  3.0  1.2  0.3 ! A.20   at -1.60e+06
assign (resid  21 and name   HA ) (resid  24 and name HG2# )  4.0  2.2  1.5 ! A.404  at 1.05e+06
assign (resid  21 and name   HA ) (resid  24 and name HD1# )  3.0  1.2  0.8 ! A.402  at 2.55e+06
assign (resid 21 and name HE# ) (resid 24 and name HG2# ) 4.0 2.2 1.5 ! A.1131 at -6.61e+05 
assign (resid 21 and name HD# ) (resid 25 and name HG2# ) 3.0 1.2 0.8 ! A.124 at -1.27e+06 
assign (resid  21 and name   HA ) (resid  25 and name HG2# )  4.0  2.2  2.5 ! A.1165 at 4.60e+05
assign (resid 21 and name HE# ) (resid 25 and name HG2# ) 3.0 1.2 0.8 ! A.123 at -2.28e+06 
assign (resid 21 and name HE# ) (resid 56 and name HG2# ) 4.0 2.2 2.5 ! A.1816 at -4.19e+05 
assign (resid 21 and name HE# ) (resid 56 and name HG1# ) 4.0 2.2 1.5 ! A.1811 at -7.20e+05 
assign (resid 21 and name HD# ) (resid 59 and name HG2# ) 3.0 1.2 0.8 ! A.1044 at -1.59e+06 
assign (resid  21 and name   HA ) (resid  59 and name HG2# )  4.0  2.2  1.5 ! A.1029 at 5.28e+05
assign (resid  21 and name  HB2 ) (resid  59 and name HG2# )  3.0  1.2  0.8 ! A.1879 at -1.28e+06
assign (resid  21 and name  HB1 ) (resid  59 and name HG2# )  3.0  1.2  0.8 ! A.1880 at -1.44e+06
assign (resid 21 and name HE# ) (resid 59 and name HG2# ) 4.0 2.2 1.5 ! A.1882 at -7.97e+05 
assign (resid 21 and name HD# ) (resid 60 and name HA ) 4.0 2.2 1.0 ! A.523 at -1.11e+06 
assign (resid 21 and name HE# ) (resid 60 and name HA ) 3.0 1.2 0.3 ! A.387 at -2.99e+06 
assign (resid 21 and name HE# ) (resid 60 and name HB1 ) 4.0 2.2 1.0 ! A.541 at -6.69e+05 
assign (resid 21 and name HD# ) (resid 63 and name HD1# ) 4.0 2.2 1.5 ! A.534 at -7.46e+05 
assign (resid 21 and name HD# ) (resid 63 and name HB# ) 4.0 2.2 2.5 ! A.1043 at 4.76e+05 
assign (resid 21 and name HD# ) (resid 63 and name HD2# ) 3.0 1.2 0.8 ! A.530 at -1.71e+06 
assign (resid 21 and name HE# ) (resid 63 and name HD2# ) 3.0 1.2 0.8 ! A.1973 at -1.33e+06 
assign (resid 21 and name HE# ) (resid 63 and name HD1# ) 4.0 2.2 1.5 ! A.1989 at -5.18e+05 
assign (resid 21 and name HE# ) (resid 63 and name HB# ) 4.0 2.2 1.5 ! A.1045 at 7.28e+05 
assign (resid 21 and name HE# ) (resid 64 and name HE# ) 3.0 1.2 0.8 ! A.247 at -1.26e+06 
assign (resid 21 and name HE# ) (resid 87 and name HG2# ) 4.0 2.2 1.5 ! A.506 at -1.23e+06 
assign (resid 21 and name HD# ) (resid 87 and name HG2# ) 4.0 2.2 1.5 ! A.507 at -5.12e+05 
assign (resid 21 and name HE# ) (resid 88 and name HA ) 4.0 2.2 1.0 ! A.1046 at -7.11e+05 
assign (resid 21 and name HE# ) (resid 91 and name HB ) 4.0 2.2 1.0 ! A.2589 at -6.44e+05 
assign (resid 21 and name HD# ) (resid 91 and name HG1# ) 4.0 2.2 1.5 ! A.535 at -1.10e+06 
assign (resid 21 and name HD# ) (resid 91 and name HG2# ) 4.0 2.2 1.5 ! A.533 at -9.62e+05 
assign (resid 21 and name HE# ) (resid 91 and name HG2# ) 3.0 1.2 0.8 ! A.2605 at -2.99e+06 
assign (resid 21 and name HE# ) (resid 91 and name HG1# ) 3.0 1.2 0.8 ! A.2593 at -1.65e+06 

! R22
assign (resid  22 and name   HA ) (resid  22 and name  HD# )  3.0  1.2  0.8 ! A.799  at -1.73e+06
assign (resid  22 and name  HG1 ) (resid  22 and name   HA )  3.0  1.2  0.3 ! A.1049 at 1.72e+06
assign (resid  22 and name  HG1 ) (resid  23 and name   HA )  4.0  2.2  2.0 ! A.1060 at 4.70e+05
assign (resid  22 and name   HA ) (resid  25 and name   HB )  3.0  1.2  0.3 ! A.1151 at 1.71e+06
assign (resid  22 and name   HA ) (resid  25 and name HG2# )  3.0  1.2  0.8 ! A.126  at 1.69e+06
assign (resid  22 and name   HA ) (resid  25 and name HG1# )  4.0  2.2  1.5 ! A.1161 at 7.22e+05
assign (resid  22 and name  HD# ) (resid  26 and name HD1# )  3.0  1.2  1.3 ! A.1189 at -2.12e+06
assign (resid  22 and name  HG1 ) (resid  63 and name HD2# )  4.0  2.2  1.5 ! A.1986 at 8.89e+05
assign (resid  22 and name   HA ) (resid  63 and name HD2# )  3.0  1.2  0.8 ! A.1974 at 3.07e+06
assign (resid  22 and name  HD# ) (resid  63 and name HD2# )  3.0  1.2  1.3 ! A.1975 at -1.53e+06
assign (resid  22 and name   HA ) (resid  63 and name HD1# )  3.0  1.2  0.8 ! A.878  at 1.67e+06
assign (resid  22 and name  HD# ) (resid  63 and name HD1# )  2.5  0.7  1.2 ! A.1987 at -6.28e+06
assign (resid  22 and name  HD# ) (resid  63 and name   HA )  4.0  2.2  1.5 ! A.798  at -1.02e+06
assign (resid  22 and name   HA ) (resid  64 and name  HE# )  4.0  2.2  1.5 ! A.2025 at 6.04e+05
assign (resid  22 and name  HG2 ) (resid  67 and name   HZ )  4.0  2.2  1.0 ! A.2432 at -7.18e+05

! T23
assign (resid  23 and name HG2# ) (resid  23 and name   HA )  2.5  0.7  0.7 ! A.2227 at 5.36e+06
assign (resid  23 and name HG2# ) (resid  24 and name   HA )  4.0  2.2  1.5 ! A.1095 at 7.36e+05
assign (resid  23 and name   HA ) (resid  26 and name  HB2 )  3.0  1.2  0.3 ! A.23   at -1.80e+06
assign (resid  23 and name   HA ) (resid  26 and name HD1# )  3.0  1.2  0.8 ! A.1188 at 2.80e+06
assign (resid  23 and name   HA ) (resid  26 and name  HB1 )  3.0  1.2  0.3 ! A.24   at -1.32e+06
assign (resid  23 and name   HA ) (resid  26 and name   HG )  4.0  2.2  1.0 ! A.1070 at 7.14e+05
assign (resid  23 and name   HA ) (resid  26 and name HD2# )  4.0  2.2  1.5 ! A.1196 at 6.62e+05
assign (resid  23 and name HG2# ) (resid  26 and name HD1# )  4.0  2.2  2.0 ! A.477  at 1.17e+06
assign (resid  23 and name HG2# ) (resid  27 and name  HG1 )  3.0  1.2  0.8 ! A.1080 at -2.49e+06
assign (resid  23 and name HG2# ) (resid  27 and name  HG2 )  3.0  1.2  0.8 ! A.1081 at -1.40e+06
assign (resid  23 and name HG2# ) (resid  38 and name  HB1 )  4.0  2.2  1.5 ! A.1410 at 9.73e+05
assign (resid  23 and name   HB ) (resid  38 and name  HG# )  4.0  2.2  1.5 ! A.1077 at 8.12e+05
assign (resid  23 and name   HB ) (resid  38 and name  HD2 )  4.0  2.2  1.0 ! A.1073 at -1.05e+06
assign (resid  23 and name   HB ) (resid  38 and name  HD1 )  4.0  2.2  1.0 ! A.1074 at -1.25e+06
assign (resid  23 and name HG2# ) (resid  38 and name  HG# )  3.0  1.2  1.3 ! A.1403 at 1.27e+06
assign (resid  23 and name HG2# ) (resid  38 and name  HD1 )  2.5  0.7  0.7 ! A.475  at -3.53e+06
assign (resid  23 and name HG2# ) (resid  38 and name  HD2 )  2.5  0.7  0.7 ! A.1398 at -3.55e+06

! I24
assign (resid  24 and name HG2# ) (resid  24 and name   HA )  2.5  0.7  0.7 ! A.1090 at 3.42e+06
assign (resid  24 and name HD1# ) (resid  24 and name   HA )  3.0  1.2  0.8 ! A.1091 at 1.70e+06
assign (resid  24 and name HG12 ) (resid  24 and name   HA )  4.0  2.2  1.0 ! A.1097 at 9.41e+05
assign (resid  24 and name HG2# ) (resid  25 and name HG2# )  3.0  1.2  1.3 ! A.121  at 1.35e+06
assign (resid  24 and name   HB ) (resid  25 and name HG2# )  4.0  2.2  1.5 ! A.129  at -6.78e+05
assign (resid  24 and name   HA ) (resid  27 and name  HB2 )  4.0  2.2  1.0 ! A.2756 at 1.06e+06
assign (resid 24 and name HG2# ) (resid 28 and name HD# ) 3.0 1.2 0.8 ! A.1116 at -1.36e+06 
assign (resid 24 and name HG2# ) (resid 28 and name HE# ) 4.0 2.2 1.5 ! A.1130 at -5.89e+05 
assign (resid  24 and name   HA ) (resid  35 and name HG2# )  4.0  2.2  1.5 ! A.1094 at 8.40e+05
assign (resid  24 and name   HA ) (resid  35 and name HG1# )  2.5  0.7  0.7 ! A.1362 at 3.57e+06
assign (resid  24 and name HD1# ) (resid  35 and name HG1# )  4.0  2.2  2.0 ! A.1351 at 9.35e+05
assign (resid  24 and name HG2# ) (resid  35 and name HG1# )  2.5  0.7  1.2 ! A.1349 at 4.20e+06
assign (resid  24 and name HG12 ) (resid  35 and name HG1# )  4.0  2.2  1.5 ! A.1363 at 7.01e+05
assign (resid  24 and name HG2# ) (resid  35 and name HG2# )  3.0  1.2  1.3 ! A.500  at 1.77e+06
assign (resid  24 and name HD1# ) (resid  38 and name  HG# )  4.0  2.2  2.0 ! A.1589 at 6.44e+05
assign (resid  24 and name   HA ) (resid  38 and name  HG# )  4.0  2.2  1.5 ! A.1098 at 6.96e+05
assign (resid  24 and name HG2# ) (resid  38 and name  HG# )  4.0  2.2  2.0 ! A.1119 at 6.02e+05
assign (resid  24 and name HD1# ) (resid  38 and name  HB2 )  4.0  2.2  1.5 ! A.1140 at 1.06e+06
assign (resid  24 and name HG2# ) (resid  39 and name HG11 )  3.0  1.2  0.8 ! A.2817 at 1.64e+06
assign (resid  24 and name HG2# ) (resid  39 and name HG12 )  4.0  2.2  1.5 ! A.1436 at 6.59e+05
assign (resid  24 and name HD1# ) (resid  39 and name HG12 )  4.0  2.2  1.5 ! A.1434 at 8.30e+05
assign (resid  24 and name HD1# ) (resid  39 and name   HA )  3.0  1.2  0.8 ! A.1417 at 2.40e+06
assign (resid  24 and name HG2# ) (resid  39 and name HD1# )  3.0  1.2  1.3 ! A.1123 at 2.20e+06
assign (resid  24 and name HG2# ) (resid  39 and name   HA )  4.0  2.2  1.5 ! A.1129 at 6.58e+05
assign (resid  24 and name HD1# ) (resid  42 and name  HB1 )  4.0  2.2  1.5 ! A.1486 at -6.76e+05
assign (resid  24 and name HD1# ) (resid  42 and name  HB2 )  4.0  2.2  1.5 ! A.1489 at -8.29e+05
assign (resid 24 and name HD1# ) (resid 42 and name HD# ) 4.0 2.2 1.5 ! A.1142 at -5.50e+05 
assign (resid  24 and name HG2# ) (resid  87 and name HG2# )  2.5  0.7  1.2 ! A.508  at 6.33e+06
assign (resid  24 and name   HB ) (resid  87 and name HG2# )  4.0  2.2  1.5 ! A.2490 at -5.82e+05
assign (resid  24 and name HG2# ) (resid  91 and name HG2# )  3.0  1.2  1.3 ! A.2612 at 3.26e+06
assign (resid  24 and name HD1# ) (resid  91 and name HG2# )  3.0  1.2  1.3 ! A.2615 at 1.40e+06

! V25
assign (resid  25 and name HG1# ) (resid  26 and name HD1# )  4.0  2.2  2.0 ! A.1197 at 7.62e+05
assign (resid  25 and name HG1# ) (resid  26 and name HD2# )  3.0  1.2  1.3 ! A.1194 at 2.12e+06
assign (resid  25 and name HG1# ) (resid  26 and name   HG )  4.0  2.2  1.5 ! A.1160 at 6.48e+05
assign (resid  25 and name HG1# ) (resid  26 and name   HA )  4.0  2.2  1.5 ! A.93   at 1.20e+06
assign (resid  25 and name   HA ) (resid  28 and name  HB1 )  4.0  2.2  1.0 ! A.1146 at -5.43e+05
assign (resid  25 and name   HA ) (resid  28 and name  HB2 )  4.0  2.2  1.0 ! A.1147 at -5.57e+05
assign (resid  25 and name HG2# ) (resid  28 and name  HB1 )  4.0  2.2  2.5 ! A.1239 at -4.68e+05
assign (resid  25 and name   HB ) (resid  63 and name HD2# )  3.0  1.2  0.8 ! A.1152 at 1.54e+06
assign (resid  25 and name HG1# ) (resid  63 and name HD2# )  3.0  1.2  1.3 ! A.1980 at 2.85e+06
assign (resid  25 and name HG2# ) (resid  63 and name HD2# )  2.5  0.7  1.2 ! A.1981 at 4.60e+06
assign (resid  25 and name HG2# ) (resid  64 and name  HE# )  2.5  0.7  1.2 ! A.251  at 3.69e+06
assign (resid  25 and name HG1# ) (resid  64 and name  HE# )  2.5  0.7  1.2 ! A.94   at 3.80e+06
assign (resid  25 and name   HA ) (resid  64 and name  HE# )  4.0  2.2  2.5 ! A.2021 at 4.24e+05
assign (resid 25 and name HG1# ) (resid 67 and name HE# ) 4.0 2.2 1.5 ! A.2417 at -1.18e+06 
assign (resid 25 and name HG2# ) (resid 67 and name HE# ) 4.0 2.2 1.5 ! A.2422 at -5.48e+05 
assign (resid  25 and name HG1# ) (resid  67 and name   HZ )  4.0  2.2  1.5 ! A.2429 at -9.91e+05
assign (resid 25 and name HG2# ) (resid 84 and name HD# ) 4.0 2.2 1.5 ! A.2380 at -7.75e+05 
assign (resid 25 and name HG1# ) (resid 84 and name HD# ) 3.0 1.2 0.8 ! A.588 at -1.39e+06 
assign (resid 25 and name HA ) (resid 84 and name HE# ) 4.0 2.2 1.0 ! A.1148 at -5.88e+05 
assign (resid 25 and name HG2# ) (resid 84 and name HE# ) 4.0 2.2 1.5 ! A.1166 at -5.09e+05 
assign (resid 25 and name HG1# ) (resid 84 and name HE# ) 3.0 1.2 0.8 ! A.90 at -1.44e+06 
assign (resid  25 and name HG2# ) (resid  87 and name   HB )  4.0  2.2  1.5 ! A.444  at 1.18e+06
assign (resid  25 and name   HA ) (resid  87 and name HG2# )  3.0  1.2  0.8 ! A.1145 at 2.84e+06
assign (resid  25 and name HG1# ) (resid  87 and name HG2# )  3.0  1.2  1.3 ! A.2487 at 1.45e+06
assign (resid  25 and name HG1# ) (resid  87 and name   HB )  4.0  2.2  2.5 ! A.1164 at 4.52e+05

! L26
assign (resid  26 and name HD2# ) (resid  26 and name   HA )  2.5  0.7  0.7 ! A.1178 at 1.11e+07
assign (resid  26 and name HD1# ) (resid  27 and name  HG2 )  4.0  2.2  1.5 ! A.1959 at -9.14e+05
assign (resid 26 and name HD1# ) (resid 67 and name HE# ) 4.0 2.2 1.5 ! A.2421 at -6.69e+05 
assign (resid  26 and name HD1# ) (resid  67 and name   HZ )  4.0  2.2  1.5 ! A.2427 at -1.00e+06
assign (resid  26 and name   HA ) (resid  67 and name   HZ )  4.0  2.2  2.0 ! A.2435 at -4.11e+05
assign (resid  26 and name HD2# ) (resid  67 and name   HZ )  3.0  1.2  0.8 ! A.2428 at -1.85e+06
assign (resid  26 and name   HG ) (resid  67 and name   HZ )  4.0  2.2  1.0 ! A.2433 at -6.12e+05

! E27
assign (resid  27 and name   HA ) (resid  27 and name  HG2 )  3.0  1.2  0.3 ! A.1474 at -3.31e+06
assign (resid  27 and name  HG1 ) (resid  27 and name   HA )  3.0  1.2  0.3 ! A.1233 at -2.06e+06
assign (resid  27 and name   HA ) (resid  30 and name  HB1 )  3.0  1.2  0.3 ! A.1272 at -1.47e+06
assign (resid  27 and name   HA ) (resid  30 and name  HB2 )  3.0  1.2  0.3 ! A.1275 at -1.47e+06
assign (resid  27 and name  HB1 ) (resid  33 and name  HB# )  3.0  1.2  0.8 ! A.1222 at 1.64e+06
assign (resid  27 and name  HB2 ) (resid  33 and name  HB# )  3.0  1.2  0.8 ! A.1224 at 1.43e+06
assign (resid  27 and name  HG1 ) (resid  33 and name  HB# )  3.0  1.2  0.8 ! A.1210 at -1.26e+06
assign (resid  27 and name   HA ) (resid  33 and name  HB# )  3.0  1.2  0.8 ! A.1306 at 1.43e+06
assign (resid  27 and name  HG2 ) (resid  33 and name  HB# )  3.0  1.2  0.8 ! A.1301 at -1.37e+06
assign (resid  27 and name  HB2 ) (resid  35 and name HG2# )  4.0  2.2  1.5 ! A.2758 at 6.01e+05
assign (resid  27 and name  HB2 ) (resid  35 and name HG1# )  3.0  1.2  0.8 ! A.1226 at 1.82e+06
assign (resid  27 and name  HG1 ) (resid  35 and name HG1# )  4.0  2.2  1.5 ! A.1357 at -8.53e+05
assign (resid  27 and name  HG2 ) (resid  35 and name HG1# )  4.0  2.2  1.5 ! A.1356 at -6.40e+05

! Y28
assign (resid 28 and name HB2 ) (resid 28 and name HD# ) 4.0 2.2 1.0 ! A.547 at 1.02e+06 
assign (resid 28 and name HA ) (resid 28 and name HD# ) 3.0 1.2 0.3 ! A.1240 at -1.73e+06 
assign (resid 28 and name HE# ) (resid 28 and name HA ) 4.0 2.2 2.0 ! A.1234 at -4.80e+05 
assign (resid 28 and name HD# ) (resid 35 and name HB ) 4.0 2.2 1.0 ! A.1339 at -6.55e+05 
assign (resid 28 and name HD# ) (resid 35 and name HG2# ) 3.0 1.2 0.8 ! A.552 at -1.41e+06 
assign (resid 28 and name HD# ) (resid 35 and name HG1# ) 3.0 1.2 0.8 ! A.551 at -1.46e+06 
assign (resid  28 and name  HB1 ) (resid  35 and name HG1# )  4.0  2.2  1.5 ! A.1365 at -5.92e+05
assign (resid  28 and name  HB2 ) (resid  35 and name HG1# )  4.0  2.2  1.5 ! A.1366 at -5.67e+05
assign (resid  28 and name   HA ) (resid  35 and name HG1# )  2.5  0.7  0.7 ! A.1360 at 3.73e+06
assign (resid 28 and name HE# ) (resid 35 and name HG1# ) 4.0 2.2 1.5 ! A.1354 at -7.36e+05 
assign (resid  28 and name   HA ) (resid  35 and name HG2# )  2.5  0.7  0.7 ! A.410  at 3.95e+06
assign (resid  28 and name   HA ) (resid  35 and name   HB )  4.0  2.2  1.0 ! A.412  at 1.17e+06
assign (resid 28 and name HE# ) (resid 35 and name HG2# ) 4.0 2.2 1.5 ! A.496 at -1.01e+06 
assign (resid 28 and name HE# ) (resid 39 and name HD1# ) 3.0 1.2 0.8 ! A.1244 at -1.61e+06 
assign (resid 28 and name HD# ) (resid 39 and name HD1# ) 4.0 2.2 1.5 ! A.1448 at -8.41e+05 
assign (resid 28 and name HE# ) (resid 86 and name HD1# ) 4.0 2.2 1.5 ! A.464 at -6.78e+05 
assign (resid 28 and name HE# ) (resid 86 and name HB2 ) 4.0 2.2 1.0 ! A.560 at 5.05e+05 
assign (resid 28 and name HE# ) (resid 86 and name HB1 ) 4.0 2.2 1.0 ! A.1243 at 6.59e+05 
assign (resid 28 and name HE# ) (resid 86 and name HD2# ) 4.0 2.2 1.5 ! A.1247 at -7.56e+05 
assign (resid 28 and name HE# ) (resid 87 and name HA ) 4.0 2.2 1.0 ! A.269 at -1.06e+06 
assign (resid  28 and name  HB2 ) (resid  87 and name HG2# )  4.0  2.2  1.5 ! A.2489 at -5.99e+05
assign (resid 28 and name HE# ) (resid 87 and name HG2# ) 3.0 1.2 0.8 ! A.505 at -1.38e+06 
assign (resid 28 and name HD# ) (resid 87 and name HG2# ) 3.0 1.2 0.8 ! A.504 at -1.56e+06 
assign (resid  28 and name  HB1 ) (resid  87 and name HG2# )  4.0  2.2  1.5 ! A.2488 at -6.78e+05
assign (resid 28 and name HE# ) (resid 90 and name HB# ) 4.0 2.2 1.5 ! A.2583 at 7.54e+05 

! F29
assign (resid 29 and name HD# ) (resid 29 and name HA ) 3.0 1.2 0.3 ! A.340 at -2.06e+06 
assign (resid 29 and name HE# ) (resid 86 and name HD1# ) 4.0 2.2 1.5 ! A.1264 at -6.50e+05 
assign (resid  29 and name   HZ ) (resid  86 and name HD1# )  3.0  1.2  0.8 ! A.2464 at -1.49e+06

! N30
assign (resid  30 and name   HA ) (resid  31 and name   HA )  4.0  2.2  1.0 ! A.1269 at -7.30e+05
assign (resid  30 and name   HA ) (resid  31 and name HG2# )  4.0  2.2  1.5 ! A.1270 at -1.00e+06
assign (resid  30 and name   HA ) (resid  33 and name  HB# )  4.0  2.2  1.5 ! A.1271 at -9.41e+05
assign (resid  30 and name  HB1 ) (resid  33 and name  HB# )  3.0  1.2  0.8 ! A.1299 at -3.16e+06
assign (resid  30 and name  HB2 ) (resid  33 and name  HB# )  3.0  1.2  0.8 ! A.1300 at -2.40e+06
assign (resid  30 and name  HB2 ) (resid  33 and name   HA )  4.0  2.2  1.0 ! A.1276 at 5.46e+05

! T31
assign (resid  31 and name HG2# ) (resid  32 and name  HB2 )  4.0  2.2  1.5 ! A.1291 at -5.04e+05

! D32

! A33
assign (resid  33 and name   HA ) (resid  34 and name  HG1 )  4.0  2.2  1.0 ! A.1295 at -7.34e+05
assign (resid  33 and name  HB# ) (resid  34 and name   HA )  4.0  2.2  1.5 ! A.1311 at 8.14e+05
assign (resid  33 and name  HB# ) (resid  35 and name   HB )  4.0  2.2  1.5 ! A.1338 at 1.25e+06
assign (resid  33 and name  HB# ) (resid  35 and name   HA )  4.0  2.2  1.5 ! A.1335 at 5.03e+05
assign (resid  33 and name  HB# ) (resid  35 and name HG1# )  3.0  1.2  1.3 ! A.1352 at 2.85e+06

! K34
assign (resid  34 and name  HE# ) (resid  34 and name  HB1 )  3.0  1.2  0.8 ! A.1329 at -1.50e+06
assign (resid  34 and name  HD# ) (resid  34 and name   HA )  3.0  1.2  0.8 ! A.1314 at 2.66e+06
assign (resid  34 and name  HD# ) (resid  37 and name  HG# )  4.0  2.2  2.0 ! A.1330 at -7.96e+05
assign (resid  34 and name  HG1 ) (resid  37 and name  HG# )  4.0  2.2  2.5 ! A.1324 at -4.14e+05
assign (resid  34 and name  HG2 ) (resid  37 and name  HG# )  4.0  2.2  1.5 ! A.1325 at -5.06e+05
assign (resid  34 and name  HE# ) (resid  37 and name   HA )  4.0  2.2  1.5 ! A.2101 at -1.97e+06 (widened1)
assign (resid  34 and name   HA ) (resid  37 and name  HG# )  4.0  2.2  1.5 ! A.1312 at -1.00e+06

! V35
assign (resid  35 and name HG2# ) (resid  36 and name   HA )  4.0  2.2  1.5 ! A.1343 at 1.26e+06 (widened1)
assign (resid  35 and name HG2# ) (resid  36 and name  HB1 )  4.0  2.2  1.5 ! A.1345 at -6.71e+05
assign (resid  35 and name HG2# ) (resid  36 and name  HB2 )  4.0  2.2  1.5 ! A.1375 at -8.98e+05
assign (resid  35 and name   HA ) (resid  38 and name  HB1 )  3.0  1.2  0.3 ! A.25   at 1.42e+06
assign (resid  35 and name   HA ) (resid  38 and name  HG# )  3.0  1.2  0.8 ! A.1406 at 1.41e+06
assign (resid  35 and name HG2# ) (resid  38 and name  HD2 )  4.0  2.2  2.5 ! A.1402 at -4.36e+05
assign (resid  35 and name HG1# ) (resid  39 and name HG11 )  3.0  1.2  0.8 ! A.2814 at 1.78e+06
assign (resid  35 and name HG1# ) (resid  39 and name HD1# )  3.0  1.2  1.3 ! A.1350 at 2.65e+06
assign (resid  35 and name HG2# ) (resid  39 and name HG11 )  4.0  2.2  1.5 ! A.1348 at 1.09e+06
assign (resid  35 and name HG2# ) (resid  39 and name HD1# )  3.0  1.2  1.3 ! A.1346 at 4.24e+06 (widened1)

! N36
assign (resid  36 and name   HA ) (resid  39 and name   HB )  3.0  1.2  0.3 ! A.1426 at -2.31e+06
assign (resid  36 and name   HA ) (resid  39 and name HG2# )  3.0  1.2  0.8 ! A.335  at 1.40e+06
assign (resid  36 and name  HB2 ) (resid  39 and name HD1# )  4.0  2.2  1.5 ! A.1374 at -6.27e+05
assign (resid  36 and name   HA ) (resid  39 and name HD1# )  3.0  1.2  0.8 ! A.1368 at 2.74e+06
assign (resid  36 and name  HB1 ) (resid  39 and name HD1# )  4.0  2.2  1.5 ! A.1445 at -8.29e+05

! E37
assign (resid  37 and name  HG# ) (resid  37 and name   HA )  2.5  0.7  0.7 ! A.1377 at -6.31e+06
assign (resid  37 and name   HA ) (resid  40 and name  HB1 )  2.5  0.7  0.2 ! A.762  at -3.41e+06
assign (resid  37 and name   HA ) (resid  40 and name  HB2 )  3.0  1.2  0.3 ! A.1457 at -3.14e+06

! R38
assign (resid  38 and name   HA ) (resid  38 and name  HD1 )  3.0  1.2  0.3 ! A.965  at -2.61e+06
assign (resid  38 and name   HA ) (resid  38 and name  HD2 )  3.0  1.2  0.3 ! A.1400 at -1.85e+06
assign (resid  38 and name  HG# ) (resid  38 and name   HA )  3.0  1.2  0.8 ! A.1392 at 3.17e+06

! I39
assign (resid  39 and name HG2# ) (resid  39 and name   HA )  3.0  1.2  0.8 ! A.1416 at 2.50e+06
assign (resid  39 and name HG11 ) (resid  39 and name   HA )  4.0  2.2  1.0 ! A.1421 at 1.02e+06
assign (resid  39 and name HG12 ) (resid  39 and name   HA )  4.0  2.2  1.0 ! A.1422 at 9.01e+05
assign (resid  39 and name HD1# ) (resid  39 and name   HA )  3.0  1.2  0.8 ! A.1418 at 1.65e+06
assign (resid  39 and name HG2# ) (resid  40 and name   HA )  4.0  2.2  1.5 ! A.237  at 1.19e+06
assign (resid  39 and name HG2# ) (resid  40 and name  HB1 )  4.0  2.2  2.5 ! A.1439 at -5.80e+05 (widened1)
assign (resid  39 and name   HA ) (resid  42 and name  HB1 )  4.0  2.2  1.0 ! A.1424 at -6.24e+05
assign (resid  39 and name   HA ) (resid  42 and name  HB2 )  4.0  2.2  1.0 ! A.1423 at -5.65e+05
assign (resid  39 and name HG2# ) (resid  43 and name HG2# )  2.5  0.7  1.2 ! A.1509 at 3.63e+06
assign (resid  39 and name HG2# ) (resid  43 and name HG1# )  4.0  2.2  2.0 ! A.1522 at 1.22e+06
assign (resid  39 and name HG2# ) (resid  91 and name   HA )  3.0  1.2  0.8 ! A.274  at 2.34e+06
assign (resid  39 and name HD1# ) (resid  91 and name   HA )  4.0  2.2  1.5 ! A.442  at 8.96e+05
assign (resid  39 and name HG12 ) (resid  91 and name HG2# )  4.0  2.2  1.5 ! A.2610 at 8.15e+05
assign (resid  39 and name HG11 ) (resid  91 and name HG2# )  4.0  2.2  1.5 ! A.2611 at 6.90e+05
assign (resid  39 and name HG2# ) (resid  91 and name HG2# )  3.0  1.2  1.3 ! A.2613 at 2.31e+06
assign (resid  39 and name HD1# ) (resid  91 and name HG1# )  4.0  2.2  2.0 ! A.2604 at 1.13e+06
assign (resid  39 and name HG2# ) (resid  91 and name HG1# )  4.0  2.2  2.0 ! A.2602 at 7.97e+05
assign (resid  39 and name HD1# ) (resid  91 and name HG2# )  3.0  1.2  1.3 ! A.1450 at 3.14e+06
assign (resid  39 and name HG2# ) (resid  94 and name  HB# )  3.0  1.2  1.3 ! A.241  at 1.57e+06

! D40
assign (resid  40 and name   HA ) (resid  43 and name   HB )  3.0  1.2  0.3 ! A.1538 at 2.06e+06
assign (resid  40 and name   HA ) (resid  43 and name HG2# )  3.0  1.2  0.8 ! A.1505 at 3.09e+06
assign (resid  40 and name   HA ) (resid  43 and name HG1# )  4.0  2.2  1.5 ! A.1527 at 1.12e+06
assign (resid  40 and name  HB2 ) (resid  43 and name HG2# )  4.0  2.2  1.5 ! A.1458 at -5.24e+05

! E41
assign (resid  41 and name   HA ) (resid  44 and name  HB2 )  3.0  1.2  0.3 ! A.31   at 2.35e+06
assign (resid  41 and name  HG2 ) (resid  45 and name  HE# )  3.0  1.2  0.8 ! A.782  at 1.62e+06
assign (resid  41 and name  HG1 ) (resid  45 and name  HE# )  3.0  1.2  0.8 ! A.783  at 1.91e+06

! F42
assign (resid 42 and name HD# ) (resid 42 and name HA ) 4.0 2.2 1.0 ! A.401 at -5.87e+05 
assign (resid 42 and name HD# ) (resid 43 and name HG2# ) 4.0 2.2 1.5 ! A.569 at -6.81e+05 
assign (resid 42 and name HD# ) (resid 43 and name HG1# ) 4.0 2.2 1.5 ! A.1496 at -8.29e+05 
assign (resid  42 and name   HA ) (resid  45 and name  HB1 )  4.0  2.2  2.0 ! A.32   at -4.97e+05
assign (resid  42 and name   HZ ) (resid  56 and name HG2# )  3.0  1.2  0.8 ! A.2410 at -1.61e+06
assign (resid  42 and name   HZ ) (resid  56 and name HG1# )  4.0  2.2  1.5 ! A.2411 at -1.04e+06
assign (resid  42 and name   HZ ) (resid  59 and name HG2# )  4.0  2.2  1.5 ! A.2560 at -6.51e+05
assign (resid 42 and name HD# ) (resid 91 and name HG1# ) 4.0 2.2 1.5 ! A.1495 at -9.45e+05 
assign (resid 42 and name HE# ) (resid 91 and name HG1# ) 4.0 2.2 1.5 ! A.2407 at -7.76e+05 
assign (resid  42 and name   HZ ) (resid  91 and name HG1# )  4.0  2.2  1.5 ! A.2595 at -5.79e+05

! V43
assign (resid  43 and name HG2# ) (resid  44 and name   HA )  4.0  2.2  1.5 ! A.1514 at 6.31e+05
assign (resid  43 and name   HA ) (resid  46 and name  HB# )  3.0  1.2  0.8 ! A.33   at 2.83e+06
assign (resid  43 and name HG2# ) (resid  46 and name  HB# )  4.0  2.2  2.0 ! A.1510 at 8.86e+05
assign (resid  43 and name HG2# ) (resid  91 and name   HA )  4.0  2.2  1.5 ! A.276  at 8.91e+05
assign (resid  43 and name HG2# ) (resid  91 and name HG1# )  3.0  1.2  1.3 ! A.2601 at 1.46e+06
assign (resid  43 and name HG1# ) (resid  94 and name  HB# )  4.0  2.2  2.0 ! A.1531 at 9.15e+05
assign (resid  43 and name HG2# ) (resid  94 and name  HB# )  3.0  1.2  1.3 ! A.1530 at 1.86e+06
assign (resid  43 and name HG2# ) (resid  94 and name   HA )  4.0  2.2  1.5 ! A.1506 at 6.99e+05
assign (resid  43 and name HG1# ) (resid  94 and name   HA )  4.0  2.2  1.5 ! A.1521 at 5.96e+05
assign (resid  43 and name   HB ) (resid  95 and name   HA )  4.0  2.2  1.0 ! A.1542 at 7.36e+05
assign (resid  43 and name HG2# ) (resid  95 and name   HA )  3.0  1.2  0.8 ! A.1507 at 1.56e+06
assign (resid  43 and name HG1# ) (resid  98 and name  HE# )  2.5  0.7  1.2 ! A.2780 at 3.75e+06
assign (resid  43 and name HG2# ) (resid  98 and name  HE# )  3.0  1.2  1.3 ! A.2782 at 1.85e+06

! S44
assign (resid  44 and name   HA ) (resid  47 and name  HB# )  4.0  2.2  1.5 ! A.671  at -9.18e+05
assign (resid 44 and name HA ) (resid 48 and name HD# ) 4.0 2.2 1.0 ! A.1635 at -5.32e+05 
assign (resid  44 and name  HB1 ) (resid  98 and name  HE# )  3.0  1.2  0.8 ! A.2092 at 1.82e+06

! K45
assign (resid  45 and name   HA ) (resid  45 and name  HD1 )  4.0  2.2  1.0 ! A.1584 at 6.75e+05
assign (resid  45 and name   HA ) (resid  45 and name  HD2 )  4.0  2.2  1.0 ! A.1587 at 6.61e+05
assign (resid  45 and name   HA ) (resid  45 and name  HG2 )  3.0  1.2  0.3 ! A.1592 at 2.28e+06
assign (resid  45 and name  HG1 ) (resid  45 and name   HA )  3.0  1.2  0.3 ! A.1559 at 1.94e+06
assign (resid  45 and name  HE# ) (resid  45 and name  HB2 )  4.0  2.2  1.5 ! A.1565 at 1.18e+06
assign (resid  45 and name  HE# ) (resid  45 and name  HB1 )  3.0  1.2  0.8 ! A.1577 at 1.55e+06
assign (resid  45 and name   HA ) (resid  48 and name  HB# )  3.0  1.2  0.8 ! A.37   at -2.24e+06

! A46
assign (resid  46 and name  HB# ) (resid  47 and name   HA )  4.0  2.2  1.5 ! A.1613 at 6.06e+05
assign (resid  46 and name   HA ) (resid  49 and name  HB# )  3.0  1.2  0.8 ! A.1648 at 2.77e+06
assign (resid  46 and name  HB# ) (resid  49 and name  HB# )  4.0  2.2  2.0 ! A.1651 at 1.00e+06
assign (resid  46 and name  HB# ) (resid  51 and name HD1# )  3.0  1.2  1.3 ! A.142  at -3.11e+06
assign (resid  46 and name   HA ) (resid  51 and name HD1# )  3.0  1.2  0.8 ! A.139  at -1.50e+06
assign (resid  46 and name   HA ) (resid  51 and name HG11 )  4.0  2.2  1.0 ! A.1593 at 1.03e+06
assign (resid  46 and name  HB# ) (resid  51 and name HG11 )  4.0  2.2  1.5 ! A.1688 at 8.10e+05
assign (resid  46 and name   HA ) (resid  51 and name HG12 )  4.0  2.2  1.0 ! A.1694 at 8.51e+05
assign (resid  46 and name  HB# ) (resid  51 and name HG12 )  4.0  2.2  1.5 ! A.1693 at 9.45e+05
assign (resid  46 and name  HB# ) (resid  51 and name   HB )  3.0  1.2  0.8 ! A.201  at -2.39e+06
assign (resid  46 and name  HB# ) (resid  51 and name   HA )  4.0  2.2  1.5 ! A.1674 at 5.81e+05
assign (resid  46 and name   HA ) (resid  51 and name HG2# )  4.0  2.2  1.5 ! A.1700 at 8.88e+05
assign (resid  46 and name   HA ) (resid  51 and name   HB )  4.0  2.2  1.0 ! A.1685 at -9.28e+05
assign (resid  46 and name  HB# ) (resid  56 and name HG2# )  3.0  1.2  1.3 ! A.1611 at 2.03e+06
assign (resid  46 and name  HB# ) (resid  95 and name HD2# )  3.0  1.2  1.3 ! A.2705 at 2.72e+06
assign (resid  46 and name  HB# ) (resid  95 and name HD1# )  2.5  0.7  1.2 ! A.2720 at 4.78e+06

! F47
assign (resid 47 and name HA ) (resid 47 and name HD# ) 4.0 2.2 1.0 ! A.1620 at -1.05e+06 
assign (resid 47 and name HD# ) (resid 48 and name HA ) 4.0 2.2 1.0 ! A.382 at -6.10e+05 
assign (resid 47 and name HD# ) (resid 95 and name HD1# ) 4.0 2.2 1.5 ! A.1621 at -5.87e+05 
assign (resid  47 and name   HA ) (resid  95 and name HD1# )  3.0  1.2  0.8 ! A.2717 at 1.76e+06
assign (resid  47 and name  HB# ) (resid  95 and name HD1# )  4.0  2.2  2.0 ! A.2719 at -1.17e+06
assign (resid 47 and name HD# ) (resid 98 and name HE# ) 4.0 2.2 1.5 ! A.578 at -6.29e+05 
assign (resid 47 and name HE# ) (resid 98 and name HE# ) 4.0 2.2 1.5 ! A.2415 at -5.48e+05 
assign (resid  47 and name   HA ) (resid  98 and name  HE# )  4.0  2.2  1.5 ! A.1614 at 5.20e+05
assign (resid  47 and name  HB# ) (resid  98 and name  HE# )  4.0  2.2  2.0 ! A.2779 at -1.16e+06
assign (resid 47 and name HD# ) (resid 99 and name HE# ) 4.0 2.2 1.0 ! A.283 at 5.92e+05 
assign (resid 47 and name HA ) (resid 99 and name HE# ) 4.0 2.2 1.0 ! A.383 at -9.42e+05 

! F48
assign (resid 48 and name HD# ) (resid 48 and name HA ) 3.0 1.2 0.3 ! A.381 at -1.71e+06 
assign (resid 48 and name HD# ) (resid 48 and name HB# ) 3.0 1.2 0.8 ! A.2900 at 2.22e+06 
assign (resid  48 and name   HA ) (resid  49 and name  HB# )  4.0  2.2  1.5 ! A.1626 at 1.14e+06
assign (resid  48 and name  HB# ) (resid  49 and name  HB# )  4.0  2.2  2.0 ! A.1654 at -5.30e+05

! A49
assign (resid  49 and name  HB# ) (resid  51 and name HD1# )  3.0  1.2  1.3 ! A.1713 at -3.33e+06
assign (resid  49 and name  HB# ) (resid  51 and name HG12 )  3.0  1.2  0.8 ! A.1646 at 1.31e+06
assign (resid  49 and name  HB# ) (resid  51 and name HG2# )  2.5  0.7  1.2 ! A.1644 at 3.94e+06
assign (resid  49 and name  HB# ) (resid  51 and name HG11 )  3.0  1.2  0.8 ! A.1647 at 1.56e+06
assign (resid  49 and name  HB# ) (resid  51 and name   HB )  4.0  2.2  1.5 ! A.1653 at -9.57e+05
assign (resid  49 and name  HB# ) (resid  51 and name   HA )  4.0  2.2  1.5 ! A.1681 at 5.92e+05

! D50
assign (resid 50 and name HA ) (resid 99 and name HE# ) 4.0 2.2 2.0 ! A.1656 at -5.20e+05 (widened1) 

! I51
assign (resid  51 and name   HA ) (resid  51 and name HD1# )  2.5  0.7  0.7 ! A.1711 at -5.34e+06
assign (resid  51 and name HG2# ) (resid  51 and name   HA )  2.5  0.7  0.7 ! A.1668 at 5.84e+06
assign (resid  51 and name HD1# ) (resid  51 and name   HB )  3.0  1.2  0.8 ! A.1678 at 2.30e+06
assign (resid  51 and name HG2# ) (resid  52 and name   HA )  4.0  2.2  1.5 ! A.1710 at 6.53e+05
assign (resid  51 and name HD1# ) (resid  55 and name  HB1 )  4.0  2.2  1.5 ! A.1721 at -8.58e+05
assign (resid  51 and name HD1# ) (resid  55 and name  HG# )  4.0  2.2  2.0 ! A.154  at 1.10e+06
assign (resid  51 and name HD1# ) (resid  55 and name  HB2 )  4.0  2.2  1.5 ! A.147  at -9.71e+05
assign (resid  51 and name HG2# ) (resid  55 and name  HB2 )  3.0  1.2  0.8 ! A.1773 at 1.86e+06
assign (resid  51 and name   HB ) (resid  55 and name  HB2 )  4.0  2.2  1.0 ! A.1777 at -6.28e+05
assign (resid  51 and name HG2# ) (resid  55 and name  HG# )  3.0  1.2  1.3 ! A.231  at -1.83e+06
assign (resid  51 and name HG2# ) (resid  55 and name  HB1 )  3.0  1.2  0.8 ! A.1707 at 1.95e+06
assign (resid  51 and name HD1# ) (resid  56 and name HG2# )  2.5  0.7  1.2 ! A.1715 at -3.44e+06
assign (resid  51 and name HG2# ) (resid  56 and name HG2# )  2.5  0.7  1.2 ! A.1817 at 4.09e+06
assign (resid  51 and name HG2# ) (resid  95 and name HD2# )  4.0  2.2  2.0 ! A.2706 at 8.95e+05

! S52
assign (resid  52 and name   HA ) (resid  53 and name HG2# )  4.0  2.2  1.5 ! A.1725 at 6.57e+05
assign (resid  52 and name  HB1 ) (resid  55 and name  HG# )  4.0  2.2  1.5 ! A.1728 at -6.21e+05
assign (resid  52 and name  HB2 ) (resid  55 and name  HG# )  4.0  2.2  1.5 ! A.1733 at -8.94e+05

! V53
assign (resid  53 and name HG1# ) (resid  54 and name  HB# )  4.0  2.2  2.0 ! A.1757 at 1.02e+06
assign (resid  53 and name HG1# ) (resid  54 and name   HA )  4.0  2.2  1.5 ! A.1758 at 5.17e+05
assign (resid  53 and name   HA ) (resid  56 and name HG1# )  4.0  2.2  1.5 ! A.1740 at 1.12e+06
assign (resid  53 and name HG1# ) (resid  57 and name   HG )  3.0  1.2  0.8 ! A.2632 at 1.69e+06
assign (resid  53 and name HG1# ) (resid  57 and name HD1# )  2.5  0.7  1.2 ! A.494  at 4.78e+06
assign (resid  53 and name HG2# ) (resid  92 and name   HA )  4.0  2.2  1.5 ! A.2620 at 5.42e+05
assign (resid  53 and name HG2# ) (resid  92 and name HD1# )  3.0  1.2  1.3 ! A.1748 at 2.34e+06
assign (resid  53 and name HG2# ) (resid  92 and name   HB )  4.0  2.2  1.5 ! A.1752 at -1.17e+06
assign (resid  53 and name HG1# ) (resid  92 and name HG2# )  3.0  1.2  1.3 ! A.1754 at 3.23e+06
assign (resid  53 and name HG2# ) (resid  92 and name HG2# )  2.5  0.7  1.2 ! A.214  at 3.85e+06
assign (resid  53 and name   HA ) (resid  92 and name HG2# )  4.0  2.2  1.5 ! A.2641 at 5.23e+05
assign (resid  53 and name   HB ) (resid  92 and name HD1# )  4.0  2.2  1.5 ! A.2657 at 5.70e+05
assign (resid  53 and name HG1# ) (resid  92 and name HD1# )  3.0  1.2  1.3 ! A.2574 at 3.11e+06
assign (resid  53 and name HG2# ) (resid  95 and name HD2# )  3.0  1.2  1.3 ! A.2710 at 2.04e+06
assign (resid 53 and name HG2# ) (resid 99 and name HD# ) 4.0 2.2 1.5 ! A.612 at -7.97e+05 
assign (resid 53 and name HG2# ) (resid 99 and name HE# ) 3.0 1.2 0.8 ! A.457 at -2.19e+06 

! S54
assign (resid  54 and name   HA ) (resid  55 and name  HG# )  4.0  2.2  1.5 ! A.394  at -6.24e+05
assign (resid  54 and name   HA ) (resid  55 and name   HA )  4.0  2.2  1.0 ! A.1767 at 6.34e+05
assign (resid  54 and name  HB# ) (resid  57 and name   HG )  4.0  2.2  1.5 ! A.1830 at 1.15e+06
assign (resid  54 and name  HB# ) (resid  57 and name HD1# )  2.5  0.7  1.2 ! A.1833 at 3.70e+06
assign (resid  54 and name   HA ) (resid  57 and name HD1# )  3.0  1.2  0.8 ! A.1834 at 1.65e+06
assign (resid  54 and name  HB# ) (resid  57 and name  HB2 )  3.0  1.2  0.8 ! A.1763 at -1.58e+06
assign (resid  54 and name   HA ) (resid  57 and name  HB1 )  4.0  2.2  1.0 ! A.40   at -6.44e+05
assign (resid  54 and name   HA ) (resid  57 and name  HB2 )  4.0  2.2  1.0 ! A.39   at -9.38e+05

! Q55
assign (resid  55 and name  HG# ) (resid  55 and name   HA )  2.5  0.7  0.7 ! A.1769 at -5.64e+06
assign (resid  55 and name  HB2 ) (resid  56 and name HG2# )  4.0  2.2  1.5 ! A.1776 at 5.94e+05

! V56
assign (resid  56 and name HG1# ) (resid  56 and name   HA )  2.5  0.7  0.7 ! A.1791 at 3.97e+06
assign (resid  56 and name HG2# ) (resid  56 and name   HA )  2.5  0.7  0.7 ! A.1790 at 4.57e+06
assign (resid  56 and name HG1# ) (resid  57 and name   HG )  4.0  2.2  1.5 ! A.1806 at 5.54e+05
assign (resid  56 and name HG1# ) (resid  57 and name   HA )  4.0  2.2  1.5 ! A.1810 at 6.47e+05
assign (resid  56 and name   HA ) (resid  59 and name HG11 )  4.0  2.2  1.0 ! A.1876 at 5.50e+05
assign (resid  56 and name   HA ) (resid  59 and name HG2# )  4.0  2.2  1.5 ! A.1794 at 9.34e+05
assign (resid  56 and name   HA ) (resid  59 and name HD1# )  3.0  1.2  0.8 ! A.1789 at 2.31e+06
assign (resid  56 and name   HA ) (resid  59 and name   HB )  3.0  1.2  0.3 ! A.41   at -1.33e+06
assign (resid  56 and name   HA ) (resid  59 and name HG12 )  4.0  2.2  1.0 ! A.1795 at 5.75e+05
assign (resid  56 and name HG1# ) (resid  88 and name HD1# )  4.0  2.2  2.0 ! A.1808 at 5.53e+05
assign (resid  56 and name   HB ) (resid  92 and name HG2# )  4.0  2.2  1.5 ! A.1799 at 7.81e+05
assign (resid  56 and name HG1# ) (resid  92 and name HG2# )  3.0  1.2  1.3 ! A.1807 at 2.40e+06
assign (resid  56 and name HG2# ) (resid  92 and name HG2# )  3.0  1.2  1.3 ! A.2913 at 2.23e+06
assign (resid  56 and name   HB ) (resid  95 and name HD2# )  4.0  2.2  1.5 ! A.1800 at 6.92e+05

! L57
assign (resid  57 and name HD2# ) (resid  57 and name   HA )  2.5  0.7  0.7 ! A.1822 at 4.82e+06
assign (resid  57 and name   HG ) (resid  57 and name   HA )  3.0  1.2  0.3 ! A.1824 at 1.84e+06
assign (resid  57 and name   HA ) (resid  60 and name  HB1 )  3.0  1.2  0.3 ! A.1908 at 1.28e+06
assign (resid  57 and name HD2# ) (resid  60 and name  HB1 )  4.0  2.2  1.5 ! A.1911 at 5.27e+05
assign (resid  57 and name   HA ) (resid  60 and name  HB2 )  4.0  2.2  1.0 ! A.1913 at 1.08e+06
assign (resid  57 and name HD2# ) (resid  60 and name  HB2 )  4.0  2.2  2.5 ! A.1915 at 4.98e+05
assign (resid  57 and name HD2# ) (resid  60 and name  HD2 )  4.0  2.2  1.5 ! A.1924 at -5.07e+05
assign (resid  57 and name   HA ) (resid  61 and name HG2# )  4.0  2.2  1.5 ! A.353  at 7.45e+05
assign (resid  57 and name   HG ) (resid  88 and name HD2# )  4.0  2.2  1.5 ! A.2630 at 1.12e+06
assign (resid  57 and name HD2# ) (resid  88 and name HD1# )  2.5  0.7  1.2 ! A.115  at 5.04e+06
assign (resid  57 and name   HA ) (resid  88 and name HD1# )  3.0  1.2  0.8 ! A.108  at 1.26e+06
assign (resid  57 and name   HG ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.2540 at 7.27e+05
assign (resid  57 and name   HA ) (resid  88 and name HD2# )  3.0  1.2  0.8 ! A.2516 at 1.70e+06
assign (resid  57 and name  HB1 ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.1828 at -5.67e+05

! E58
assign (resid  58 and name  HG2 ) (resid  58 and name   HA )  3.0  1.2  0.3 ! A.1848 at -2.81e+06
assign (resid  58 and name  HG1 ) (resid  58 and name   HA )  3.0  1.2  0.3 ! A.1849 at -2.15e+06
assign (resid  58 and name   HA ) (resid  61 and name   HB )  3.0  1.2  0.3 ! A.45   at 3.06e+06
assign (resid  58 and name   HA ) (resid  61 and name HG2# )  2.5  0.7  0.7 ! A.472  at 3.84e+06
assign (resid  58 and name   HA ) (resid  61 and name HG1# )  3.0  1.2  0.8 ! A.1938 at 1.70e+06

! I59
assign (resid  59 and name HG2# ) (resid  59 and name   HA )  2.5  0.7  0.7 ! A.1857 at 3.93e+06
assign (resid  59 and name HG12 ) (resid  59 and name   HA )  3.0  1.2  0.3 ! A.1861 at 1.59e+06
assign (resid  59 and name HD1# ) (resid  59 and name   HA )  3.0  1.2  0.8 ! A.1855 at 2.06e+06
assign (resid  59 and name   HA ) (resid  62 and name  HB1 )  3.0  1.2  0.3 ! A.47   at 1.46e+06
assign (resid  59 and name   HA ) (resid  62 and name  HB2 )  3.0  1.2  0.3 ! A.48   at 1.33e+06
assign (resid  59 and name   HA ) (resid  62 and name  HG2 )  4.0  2.2  1.0 ! A.1859 at -7.53e+05
assign (resid  59 and name   HA ) (resid  62 and name  HG1 )  4.0  2.2  2.0 ! A.1860 at -5.00e+05

! H60
assign (resid  60 and name  HD2 ) (resid  60 and name  HB1 )  4.0  2.2  1.0 ! A.1920 at -5.97e+05
assign (resid  60 and name  HD2 ) (resid  60 and name  HB2 )  4.0  2.2  1.0 ! A.1919 at -6.44e+05
assign (resid  60 and name  HB2 ) (resid  61 and name HG2# )  4.0  2.2  1.5 ! A.1917 at 6.18e+05
assign (resid  60 and name  HD2 ) (resid  61 and name   HA )  4.0  2.2  1.0 ! A.1928 at -1.22e+06
assign (resid  60 and name  HD2 ) (resid  61 and name HG2# )  3.0  1.2  0.8 ! A.470  at -2.58e+06
assign (resid  60 and name  HD2 ) (resid  61 and name HG1# )  4.0  2.2  1.5 ! A.486  at -1.03e+06
assign (resid  60 and name   HA ) (resid  63 and name  HB# )  3.0  1.2  0.8 ! A.1906 at -1.53e+06
assign (resid  60 and name   HA ) (resid  64 and name  HE# )  4.0  2.2  1.5 ! A.2022 at 6.58e+05
assign (resid  60 and name  HE1 ) (resid  64 and name  HE# )  3.0  1.2  0.8 ! A.2029 at 1.38e+06
assign (resid  60 and name  HE1 ) (resid  84 and name  HB1 )  4.0  2.2  1.0 ! A.2028 at -6.41e+05
assign (resid  60 and name  HE1 ) (resid  87 and name   HB )  4.0  2.2  2.0 ! A.2480 at 4.64e+05
assign (resid  60 and name  HB1 ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.1912 at 6.15e+05
assign (resid  60 and name  HB1 ) (resid  88 and name HD2# )  3.0  1.2  0.8 ! A.1910 at 1.27e+06
assign (resid  60 and name  HB2 ) (resid  88 and name HD2# )  3.0  1.2  0.8 ! A.1914 at 1.41e+06
assign (resid  60 and name  HB2 ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.1916 at 6.14e+05
assign (resid  60 and name  HD2 ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.112  at -1.02e+06
assign (resid  60 and name   HA ) (resid  88 and name HD2# )  4.0  2.2  1.5 ! A.2525 at 6.14e+05

! V61
assign (resid  61 and name HG1# ) (resid  61 and name   HA )  2.5  0.7  0.7 ! A.1930 at 5.00e+06
assign (resid  61 and name HG2# ) (resid  61 and name   HA )  2.5  0.7  0.7 ! A.1929 at 6.26e+06
assign (resid  61 and name HG1# ) (resid  62 and name  HB1 )  4.0  2.2  1.5 ! A.1953 at 6.89e+05
assign (resid  61 and name HG2# ) (resid  62 and name  HB1 )  4.0  2.2  1.5 ! A.1850 at 6.20e+05
assign (resid  61 and name HG1# ) (resid  62 and name  HG2 )  4.0  2.2  2.5 ! A.1942 at -4.73e+05
assign (resid  61 and name HG1# ) (resid  62 and name  HG1 )  4.0  2.2  2.5 ! A.1941 at -6.25e+05 (widened1)
assign (resid  61 and name HG1# ) (resid  62 and name   HA )  3.0  1.2  0.8 ! A.1939 at 1.83e+06
assign (resid  61 and name   HA ) (resid  64 and name  HB2 )  4.0  2.2  1.0 ! A.1999 at 7.60e+05
assign (resid  61 and name   HA ) (resid  64 and name  HE# )  4.0  2.2  1.5 ! A.2020 at 5.21e+05
assign (resid  61 and name HG1# ) (resid  65 and name  HB2 )  3.0  1.2  0.8 ! A.1940 at -1.41e+06
assign (resid  61 and name HG1# ) (resid  65 and name  HB1 )  4.0  2.2  1.5 ! A.2035 at -7.87e+05

! E62
assign (resid  62 and name  HG1 ) (resid  62 and name   HA )  2.5  0.7  0.2 ! A.1946 at -4.29e+06
assign (resid  62 and name  HG2 ) (resid  62 and name   HA )  2.5  0.7  0.2 ! A.1945 at -4.64e+06
assign (resid  62 and name   HA ) (resid  65 and name  HB2 )  3.0  1.2  0.3 ! A.52   at -4.61e+06 (widened1)
assign (resid  62 and name   HA ) (resid  65 and name  HB1 )  2.5  0.7  0.2 ! A.2032 at -3.60e+06

! L63
assign (resid  63 and name   HG ) (resid  63 and name   HA )  4.0  2.2  1.0 ! A.1960 at 6.81e+05
assign (resid  63 and name   HG ) (resid  64 and name  HE# )  3.0  1.2  0.8 ! A.1977 at 1.42e+06
assign (resid  63 and name HD2# ) (resid  64 and name  HE# )  2.5  0.7  1.2 ! A.2014 at 4.72e+06
assign (resid  63 and name   HA ) (resid  64 and name  HE# )  4.0  2.2  1.5 ! A.2018 at 6.29e+05
assign (resid  63 and name HD1# ) (resid  64 and name  HE# )  3.0  1.2  1.3 ! A.2015 at 2.20e+06
assign (resid  63 and name   HA ) (resid  66 and name   HB )  2.5  0.7  0.2 ! A.2044 at 3.41e+06
assign (resid  63 and name HD1# ) (resid  66 and name   HB )  3.0  1.2  0.8 ! A.2046 at 2.59e+06
assign (resid  63 and name HD1# ) (resid  66 and name HG2# )  3.0  1.2  1.3 ! A.881  at 2.37e+06
assign (resid  63 and name   HA ) (resid  66 and name HG2# )  3.0  1.2  0.8 ! A.2076 at 1.50e+06
assign (resid  63 and name HD2# ) (resid  66 and name HG2# )  4.0  2.2  2.0 ! A.2080 at 5.89e+05
assign (resid 63 and name HD1# ) (resid 67 and name HD# ) 4.0 2.2 1.5 ! A.2068 at -7.05e+05 
assign (resid 63 and name HD2# ) (resid 67 and name HD# ) 4.0 2.2 1.5 ! A.582 at -6.03e+05 
assign (resid 63 and name HD1# ) (resid 67 and name HE# ) 3.0 1.2 0.8 ! A.2443 at -1.35e+06 
assign (resid  63 and name HD1# ) (resid  67 and name   HZ )  4.0  2.2  1.5 ! A.2425 at -1.17e+06

! M64
assign (resid  64 and name  HE# ) (resid  64 and name  HB1 )  4.0  2.2  1.5 ! A.1994 at 9.53e+05
assign (resid  64 and name   HA ) (resid  64 and name  HE# )  2.5  0.7  0.7 ! A.2017 at 3.73e+06
assign (resid  64 and name   HA ) (resid  64 and name  HG1 )  4.0  2.2  1.0 ! A.2011 at -6.28e+05
assign (resid  64 and name  HE# ) (resid  64 and name  HG1 )  3.0  1.2  0.8 ! A.2013 at -1.67e+06
assign (resid  64 and name  HE# ) (resid  64 and name  HG2 )  3.0  1.2  0.8 ! A.2009 at -1.41e+06
assign (resid  64 and name   HA ) (resid  64 and name  HG2 )  3.0  1.2  0.3 ! A.2003 at -1.70e+06
assign (resid 64 and name HE# ) (resid 67 and name HE# ) 4.0 2.2 1.5 ! A.2416 at -7.93e+05 
assign (resid 64 and name HE# ) (resid 67 and name HD# ) 3.0 1.2 0.8 ! A.248 at -1.96e+06 
assign (resid 64 and name HA ) (resid 67 and name HD# ) 4.0 2.2 1.0 ! A.2069 at -5.22e+05 
assign (resid  64 and name   HA ) (resid  67 and name  HB2 )  3.0  1.2  0.3 ! A.2053 at -1.32e+06
assign (resid  64 and name   HA ) (resid  67 and name  HB1 )  4.0  2.2  1.0 ! A.2059 at -1.06e+06
assign (resid  64 and name  HE# ) (resid  81 and name HD1# )  3.0  1.2  1.3 ! A.253  at 1.43e+06
assign (resid  64 and name   HA ) (resid  81 and name HD2# )  4.0  2.2  1.5 ! A.334  at 8.86e+05
assign (resid  64 and name   HA ) (resid  81 and name HD1# )  4.0  2.2  1.5 ! A.1990 at 7.98e+05
assign (resid 64 and name HE# ) (resid 84 and name HD# ) 3.0 1.2 0.8 ! A.245 at -1.89e+06 
assign (resid  64 and name  HE# ) (resid  84 and name   HA )  4.0  2.2  1.5 ! A.2026 at 5.85e+05
assign (resid  64 and name  HE# ) (resid  84 and name  HB1 )  4.0  2.2  1.5 ! A.257  at -1.21e+06
assign (resid 64 and name HE# ) (resid 84 and name HE# ) 4.0 2.2 1.5 ! A.249 at -7.87e+05 
assign (resid  64 and name  HE# ) (resid  84 and name  HB2 )  4.0  2.2  1.5 ! A.2379 at -7.24e+05
assign (resid  64 and name  HE# ) (resid  87 and name HG2# )  4.0  2.2  2.0 ! A.2491 at 5.38e+05

! D65
assign (resid  65 and name  HB2 ) (resid  66 and name   HA )  4.0  2.2  2.0 ! A.2049 at -5.29e+05 (widened1)
assign (resid  65 and name  HB1 ) (resid  66 and name HG2# )  4.0  2.2  1.5 ! A.2036 at -7.32e+05
assign (resid  65 and name  HB1 ) (resid  68 and name  HB# )  4.0  2.2  1.5 ! A.2090 at -9.25e+05
assign (resid  65 and name   HA ) (resid  68 and name  HB# )  2.5  0.7  0.7 ! A.1546 at 4.41e+06

! T66
assign (resid  66 and name HG2# ) (resid  66 and name   HA )  2.5  0.7  0.7 ! A.2071 at 7.06e+06
assign (resid 66 and name HG2# ) (resid 67 and name HD# ) 4.0 2.2 1.5 ! A.585 at -8.98e+05 
assign (resid  66 and name HG2# ) (resid  67 and name   HA )  3.0  1.2  0.8 ! A.480  at 1.28e+06
assign (resid  66 and name HG2# ) (resid  69 and name  HB# )  4.0  2.2  2.0 ! A.2251 at 7.18e+05
assign (resid  66 and name   HA ) (resid  69 and name  HB# )  3.0  1.2  0.8 ! A.57   at 1.79e+06
assign (resid  66 and name   HA ) (resid  69 and name  HD# )  4.0  2.2  1.5 ! A.778  at 1.21e+06
assign (resid  66 and name   HA ) (resid  69 and name  HE# )  4.0  2.2  1.5 ! A.2050 at -8.94e+05
assign (resid  66 and name HG2# ) (resid  69 and name  HD# )  4.0  2.2  2.0 ! A.2078 at 8.31e+05
assign (resid  66 and name HG2# ) (resid  70 and name  HG1 )  4.0  2.2  1.5 ! A.2077 at -9.36e+05
assign (resid  66 and name HG2# ) (resid  70 and name  HB# )  4.0  2.2  2.0 ! A.485  at 7.06e+05

! F67
assign (resid 67 and name HA ) (resid 67 and name HD# ) 3.0 1.2 0.3 ! A.2066 at -2.84e+06 
assign (resid  67 and name   HA ) (resid  70 and name  HB# )  3.0  1.2  0.8 ! A.2119 at 1.97e+06
assign (resid  67 and name   HA ) (resid  70 and name  HG2 )  4.0  2.2  1.0 ! A.282  at -1.09e+06
assign (resid  67 and name   HA ) (resid  70 and name  HG1 )  4.0  2.2  1.0 ! A.2122 at -7.85e+05
assign (resid  67 and name  HB1 ) (resid  71 and name HD2# )  4.0  2.2  1.5 ! A.2063 at -8.60e+05
assign (resid  67 and name  HB2 ) (resid  71 and name HD2# )  4.0  2.2  1.5 ! A.2082 at -5.27e+05
assign (resid 67 and name HD# ) (resid 81 and name HD1# ) 3.0 1.2 0.8 ! A.2336 at -1.37e+06 
assign (resid  67 and name  HB1 ) (resid  81 and name HD2# )  4.0  2.2  1.5 ! A.517  at -1.09e+06
assign (resid  67 and name  HB2 ) (resid  81 and name HD2# )  3.0  1.2  0.8 ! A.516  at -1.32e+06
assign (resid  67 and name   HA ) (resid  81 and name HD1# )  4.0  2.2  1.5 ! A.2341 at 5.48e+05
assign (resid  67 and name  HB2 ) (resid  81 and name HD1# )  3.0  1.2  0.8 ! A.2339 at -1.56e+06
assign (resid  67 and name  HB1 ) (resid  81 and name HD1# )  3.0  1.2  0.8 ! A.2338 at -1.89e+06

! S68
assign (resid  68 and name  HB# ) (resid  69 and name  HG2 )  4.0  2.2  1.5 ! A.2105 at 6.24e+05
assign (resid  68 and name   HA ) (resid  71 and name HD2# )  3.0  1.2  0.8 ! A.2155 at 2.91e+06
assign (resid  68 and name   HA ) (resid  71 and name HD1# )  4.0  2.2  1.5 ! A.2173 at 9.36e+05
assign (resid  68 and name   HA ) (resid  71 and name  HB2 )  3.0  1.2  0.3 ! A.59   at -1.93e+06
assign (resid  68 and name   HA ) (resid  71 and name  HB1 )  4.0  2.2  1.0 ! A.60   at -8.90e+05
assign (resid  68 and name   HA ) (resid  71 and name   HG )  4.0  2.2  1.0 ! A.2087 at 1.06e+06
assign (resid  68 and name   HA ) (resid  78 and name  HG# )  3.0  1.2  0.8 ! A.2263 at -1.55e+06
assign (resid  68 and name  HB# ) (resid  81 and name HD2# )  2.5  0.7  1.2 ! A.2329 at 4.16e+06
assign (resid  68 and name  HB# ) (resid  81 and name HD1# )  4.0  2.2  2.0 ! A.2340 at 9.39e+05

! K69

! Q70
assign (resid  70 and name  HG2 ) (resid  70 and name   HA )  3.0  1.2  0.3 ! A.2112 at -3.18e+06
assign (resid  70 and name   HA ) (resid  70 and name  HG1 )  3.0  1.2  0.3 ! A.2123 at -2.22e+06
assign (resid  70 and name  HG2 ) (resid  71 and name HD1# )  4.0  2.2  1.5 ! A.2169 at -6.58e+05

! L71
assign (resid  71 and name HD2# ) (resid  71 and name   HA )  3.0  1.2  0.8 ! A.2137 at 1.43e+06
assign (resid  71 and name HD1# ) (resid  71 and name   HA )  2.5  0.7  0.7 ! A.2136 at 9.53e+06
assign (resid  71 and name   HA ) (resid  74 and name  HB2 )  4.0  2.2  1.0 ! A.2220 at 1.24e+06
assign (resid  71 and name HD1# ) (resid  74 and name  HG1 )  4.0  2.2  1.5 ! A.2166 at -6.83e+05
assign (resid  71 and name HD1# ) (resid  74 and name  HG2 )  4.0  2.2  1.5 ! A.2165 at -7.77e+05
assign (resid  71 and name  HB2 ) (resid  74 and name  HG2 )  4.0  2.2  1.0 ! A.2141 at 8.22e+05
assign (resid  71 and name HD1# ) (resid  76 and name  HB1 )  3.0  1.2  0.8 ! A.2249 at 1.71e+06
assign (resid  71 and name  HB1 ) (resid  76 and name  HB2 )  4.0  2.2  1.0 ! A.2247 at -9.10e+05
assign (resid  71 and name   HA ) (resid  76 and name  HB2 )  4.0  2.2  1.0 ! A.2244 at 1.04e+06
assign (resid  71 and name HD1# ) (resid  76 and name  HB2 )  3.0  1.2  0.8 ! A.2245 at 3.08e+06
assign (resid  71 and name HD1# ) (resid  76 and name  HG# )  2.5  0.7  1.2 ! A.2235 at 3.49e+06
assign (resid  71 and name   HA ) (resid  76 and name  HD# )  4.0  2.2  1.5 ! A.2238 at -1.08e+06
assign (resid  71 and name HD1# ) (resid  76 and name   HA )  4.0  2.2  1.5 ! A.2170 at 8.20e+05
assign (resid  71 and name HD1# ) (resid  76 and name  HD# )  2.5  0.7  1.2 ! A.2159 at -6.07e+06
assign (resid  71 and name HD2# ) (resid  78 and name  HB1 )  4.0  2.2  1.5 ! A.2276 at 6.36e+05
assign (resid  71 and name HD2# ) (resid  78 and name   HA )  2.5  0.7  0.7 ! A.2154 at 5.24e+06
assign (resid  71 and name HD2# ) (resid  78 and name  HG# )  3.0  1.2  1.3 ! A.2156 at -1.77e+06
assign (resid  71 and name HD1# ) (resid  78 and name   HA )  3.0  1.2  0.8 ! A.2171 at 1.37e+06
assign (resid  71 and name   HG ) (resid  78 and name  HG# )  4.0  2.2  1.5 ! A.2270 at -8.30e+05
assign (resid  71 and name  HB2 ) (resid  78 and name  HG# )  4.0  2.2  1.5 ! A.2266 at 9.03e+05
assign (resid  71 and name HD1# ) (resid  78 and name  HG# )  4.0  2.2  2.0 ! A.2269 at -7.82e+05
assign (resid  71 and name HD1# ) (resid  80 and name HG11 )  4.0  2.2  1.5 ! A.2313 at 5.78e+05
assign (resid  71 and name HD2# ) (resid  80 and name HG11 )  4.0  2.2  1.5 ! A.2311 at 7.09e+05
assign (resid  71 and name HD1# ) (resid  80 and name HD1# )  3.0  1.2  1.3 ! A.2163 at 1.56e+06
assign (resid  71 and name HD1# ) (resid  80 and name HG2# )  3.0  1.2  1.3 ! A.2164 at 1.87e+06
assign (resid  71 and name   HG ) (resid  80 and name HG2# )  3.0  1.2  0.8 ! A.2293 at 1.43e+06
assign (resid  71 and name HD2# ) (resid  80 and name HG2# )  2.5  0.7  1.2 ! A.2302 at 3.64e+06

! K72
assign (resid  72 and name   HA ) (resid  72 and name  HD# )  3.0  1.2  0.8 ! A.2133 at 2.10e+06
assign (resid  72 and name   HA ) (resid  72 and name  HG1 )  3.0  1.2  0.3 ! A.813  at 2.40e+06
assign (resid  72 and name   HA ) (resid  72 and name  HG2 )  2.5  0.7  0.2 ! A.2110 at 3.66e+06
assign (resid  72 and name   HA ) (resid  72 and name  HE# )  4.0  2.2  1.5 ! A.2102 at -1.24e+06
assign (resid  72 and name  HE# ) (resid  78 and name  HG# )  4.0  2.2  2.0 ! A.2268 at 7.29e+05

! L73
assign (resid  73 and name   HA ) (resid  73 and name HD2# )  2.5  0.7  0.7 ! A.2205 at 1.04e+07
assign (resid  73 and name   HG ) (resid  73 and name   HA )  3.0  1.2  0.3 ! A.2187 at 1.94e+06
assign (resid  73 and name HD1# ) (resid  73 and name   HA )  3.0  1.2  0.8 ! A.2189 at 3.02e+06
assign (resid  73 and name HD1# ) (resid  74 and name  HG2)  4.0  2.2  1.5 ! A.841  at -9.21e+05
assign (resid  73 and name HD1# ) (resid  74 and name  HG1 )  4.0  2.2  1.5 ! A.2215 at -9.24e+05

! E74
assign (resid  74 and name  HG2 ) (resid  74 and name   HA )  3.0  1.2  0.3 ! A.2207 at -7.08e+06 (widened1)
assign (resid  74 and name  HG1 ) (resid  74 and name   HA )  3.0  1.2  0.3 ! A.2206 at -2.99e+06
assign (resid  74 and name  HG2 ) (resid  76 and name  HG# )  4.0  2.2  1.5 ! A.2234 at -6.65e+05
assign (resid  74 and name  HG1 ) (resid  76 and name  HG# )  4.0  2.2  2.5 ! A.2233 at -4.73e+05
assign (resid  74 and name  HG2 ) (resid  76 and name  HD# )  4.0  2.2  2.5 ! A.2236 at 5.65e+05 (widened1)
assign (resid  74 and name   HA ) (resid  76 and name  HD# )  4.0  2.2  1.5 ! A.2239 at -5.20e+05
assign (resid  74 and name  HG1 ) (resid  76 and name  HD# )  4.0  2.2  2.5 ! A.801  at 6.89e+05 (widened1)

! G75

! R76
assign (resid  76 and name  HD# ) (resid  76 and name  HB1 )  3.0  1.2  0.8 ! A.2250 at -2.82e+06
assign (resid  76 and name   HA ) (resid  76 and name  HG# )  2.5  0.7  0.7 ! A.2232 at 7.53e+06
assign (resid  76 and name   HA ) (resid  76 and name  HD# )  3.0  1.2  0.8 ! A.2237 at -2.31e+06
assign (resid  76 and name  HD# ) (resid  80 and name HD1# )  4.0  2.2  2.0 ! A.2306 at -6.63e+05

! S77
assign (resid  77 and name   HA ) (resid  78 and name  HG# )  4.0  2.2  1.5 ! A.2253 at -8.08e+05
assign (resid  77 and name  HB2 ) (resid  80 and name HG2# )  4.0  2.2  1.5 ! A.2297 at 6.86e+05

! E78
assign (resid  78 and name   HA ) (resid  78 and name  HG# )  2.5  0.7  0.7 ! A.2262 at -7.23e+06
assign (resid  78 and name   HA ) (resid  80 and name HG2# )  3.0  1.2  0.8 ! A.2296 at 1.43e+06
assign (resid  78 and name  HB1 ) (resid  81 and name HD2# )  4.0  2.2  1.5 ! A.2275 at 1.25e+06
assign (resid  78 and name  HB2 ) (resid  81 and name HD2# )  4.0  2.2  1.5 ! A.2273 at 1.07e+06
assign (resid  78 and name  HG# ) (resid  81 and name HD2# )  3.0  1.2  1.3 ! A.2332 at -1.35e+06
assign (resid  78 and name   HA ) (resid  81 and name HD2# )  3.0  1.2  0.8 ! A.2260 at 1.65e+06

! D79
assign (resid  79 and name  HB2 ) (resid  80 and name   HA )  4.0  2.2  1.0 ! A.2291 at -6.04e+05
assign (resid  79 and name   HA ) (resid  82 and name   HG )  3.0  1.2  0.3 ! A.2361 at 1.26e+06
assign (resid  79 and name  HB1 ) (resid  82 and name HD2# )  4.0  2.2  1.5 ! A.2365 at -9.97e+05
assign (resid  79 and name   HA ) (resid  82 and name HD2# )  3.0  1.2  0.8 ! A.2359 at 2.10e+06
assign (resid  79 and name   HA ) (resid  82 and name HD1# )  4.0  2.2  1.5 ! A.2358 at 5.68e+05
assign (resid  79 and name  HB2 ) (resid  82 and name HD2# )  4.0  2.2  1.5 ! A.2285 at -8.18e+05

! I80
assign (resid  80 and name HD1# ) (resid  80 and name   HA )  3.0  1.2  0.8 ! A.2287 at 2.91e+06
assign (resid  80 and name HG2# ) (resid  80 and name   HA )  2.5  0.7  0.7 ! A.2288 at 5.87e+06
assign (resid  80 and name HG11 ) (resid  80 and name   HA )  3.0  1.2  0.3 ! A.2289 at 2.22e+06
assign (resid  80 and name HG11 ) (resid  81 and name HD1# )  4.0  2.2  1.5 ! A.2312 at 5.98e+05
assign (resid  80 and name HG2# ) (resid  81 and name HD2# )  4.0  2.2  2.0 ! A.2333 at 6.73e+05
assign (resid  80 and name HG2# ) (resid  81 and name HD1# )  3.0  1.2  1.3 ! A.2299 at 2.50e+06
assign (resid  80 and name HG2# ) (resid  81 and name  HB# )  4.0  2.2  2.0 ! A.2298 at -6.22e+05
assign (resid  80 and name HG2# ) (resid  81 and name   HA )  4.0  2.2  1.5 ! A.2322 at 1.10e+06
assign (resid  80 and name HD1# ) (resid  81 and name HD1# )  4.0  2.2  2.0 ! A.2308 at 1.12e+06
assign (resid  80 and name   HA ) (resid  83 and name  HB1 )  4.0  2.2  2.0 ! A.63   at -4.48e+05
assign (resid  80 and name   HA ) (resid  83 and name  HB2 )  4.0  2.2  1.0 ! A.64   at -5.50e+05
assign (resid 80 and name HG2# ) (resid 84 and name HD# ) 4.0 2.2 2.5 ! A.2294 at -4.99e+05 
assign (resid 80 and name HG2# ) (resid 84 and name HE# ) 4.0 2.2 1.5 ! A.220 at -8.37e+05 
assign (resid 80 and name HG11 ) (resid 84 and name HE# ) 4.0 2.2 1.0 ! A.2384 at -5.39e+05 

! L81
assign (resid  81 and name   HA ) (resid  81 and name HD1# )  2.5  0.7  0.7 ! A.2337 at 6.84e+06
assign (resid  81 and name   HG ) (resid  81 and name   HA )  3.0  1.2  0.3 ! A.2328 at 1.89e+06
assign (resid  81 and name HD2# ) (resid  81 and name   HA )  3.0  1.2  0.8 ! A.2325 at 1.50e+06
assign (resid 81 and name HA ) (resid 84 and name HD# ) 3.0 1.2 0.3 ! A.586 at -2.03e+06 
assign (resid 81 and name HD1# ) (resid 84 and name HD# ) 3.0 1.2 0.8 ! A.602 at -1.59e+06 
assign (resid 81 and name HD1# ) (resid 84 and name HE# ) 3.0 1.2 0.8 ! A.2334 at -2.08e+06 
assign (resid 81 and name HA ) (resid 84 and name HE# ) 3.0 1.2 0.3 ! A.2324 at -1.39e+06 

! L82

! D83
assign (resid  83 and name   HA ) (resid  86 and name HD1# )  4.0  2.2  1.5 ! A.468  at 5.92e+05
assign (resid  83 and name  HB2 ) (resid  86 and name HD1# )  4.0  2.2  1.5 ! A.2369 at -6.96e+05
assign (resid  83 and name  HB2 ) (resid  86 and name   HG )  4.0  2.2  1.0 ! A.2370 at -5.17e+05
assign (resid  83 and name  HB1 ) (resid  86 and name HD1# )  4.0  2.2  1.5 ! A.2371 at -5.74e+05

! Y84
assign (resid 84 and name HA ) (resid 84 and name HD# ) 3.0 1.2 0.3 ! A.2381 at -2.08e+06 
assign (resid 84 and name HE# ) (resid 84 and name HA ) 4.0 2.2 1.0 ! A.2374 at -6.26e+05 
assign (resid 84 and name HD# ) (resid 87 and name HG2# ) 4.0 2.2 1.5 ! A.591 at -6.27e+05 
assign (resid  84 and name   HA ) (resid  87 and name   HB )  4.0  2.2  1.0 ! A.445  at 7.87e+05
assign (resid  84 and name  HB1 ) (resid  87 and name   HB )  4.0  2.2  2.0 ! A.2483 at -4.57e+05
assign (resid 84 and name HD# ) (resid 87 and name HB ) 4.0 2.2 1.0 ! A.2481 at -5.44e+05 

! R85
assign (resid  85 and name   HA ) (resid  85 and name  HG# )  4.0  2.2  1.5 ! A.2392 at 8.91e+05
assign (resid  85 and name   HA ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.2529 at 8.17e+05
assign (resid  85 and name   HA ) (resid  88 and name  HB2 )  4.0  2.2  1.0 ! A.67   at -5.16e+05
assign (resid  85 and name   HA ) (resid  88 and name  HB1 )  4.0  2.2  1.0 ! A.66   at -1.21e+06
assign (resid  85 and name  HB# ) (resid  89 and name HD1# )  4.0  2.2  2.0 ! A.2389 at 5.49e+05

! L86
assign (resid  86 and name   HA ) (resid  86 and name HD1# )  3.0  1.2  0.8 ! A.2463 at 1.76e+06
assign (resid  86 and name   HA ) (resid  86 and name HD2# )  2.5  0.7  0.7 ! A.2467 at 6.65e+06
assign (resid  86 and name HD1# ) (resid  86 and name  HB2 )  3.0  1.2  0.8 ! A.2454 at -3.09e+06
assign (resid  86 and name HD2# ) (resid  86 and name  HB2 )  3.0  1.2  0.8 ! A.2457 at -1.81e+06
assign (resid  86 and name HD1# ) (resid  86 and name  HB1 )  3.0  1.2  0.8 ! A.2460 at -2.76e+06
assign (resid  86 and name HD2# ) (resid  89 and name HG2# )  3.0  1.2  1.3 ! A.2470 at 1.94e+06
assign (resid  86 and name HD2# ) (resid  89 and name   HB )  4.0  2.2  1.5 ! A.2469 at -9.47e+05
assign (resid  86 and name HD2# ) (resid  89 and name HD1# )  3.0  1.2  1.3 ! A.2912 at 3.11e+06
assign (resid  86 and name   HA ) (resid  89 and name   HB )  3.0  1.2  0.3 ! A.2553 at -1.77e+06
assign (resid  86 and name   HA ) (resid  89 and name HG2# )  4.0  2.2  1.5 ! A.1885 at 8.50e+05

! T87
assign (resid  87 and name HG2# ) (resid  87 and name   HA )  2.5  0.7  0.7 ! A.2477 at 4.74e+06
assign (resid  87 and name   HA ) (resid  90 and name  HB# )  3.0  1.2  0.8 ! A.69   at -1.50e+06
assign (resid  87 and name HG2# ) (resid  90 and name  HB# )  4.0  2.2  2.0 ! A.2493 at -5.49e+05
assign (resid  87 and name   HA ) (resid  91 and name HG2# )  4.0  2.2  1.5 ! A.2478 at 7.57e+05

! L88
assign (resid  88 and name   HA ) (resid  88 and name   HG )  4.0  2.2  1.0 ! A.2508 at 9.28e+05
assign (resid  88 and name   HA ) (resid  88 and name HD1# )  4.0  2.2  1.5 ! A.2528 at 9.33e+05
assign (resid  88 and name   HA ) (resid  88 and name HD2# )  2.5  0.7  0.7 ! A.2515 at 4.66e+06
assign (resid  88 and name HD2# ) (resid  88 and name  HB1 )  3.0  1.2  0.8 ! A.2498 at -1.33e+06
assign (resid  88 and name HD1# ) (resid  88 and name  HB1 )  3.0  1.2  0.8 ! A.2500 at -1.89e+06
assign (resid  88 and name HD2# ) (resid  88 and name  HB2 )  3.0  1.2  0.8 ! A.2506 at -1.52e+06
assign (resid  88 and name HD1# ) (resid  88 and name  HB2 )  3.0  1.2  0.8 ! A.2505 at -1.70e+06
assign (resid  88 and name   HA ) (resid  91 and name   HB )  4.0  2.2  1.0 ! A.2590 at 1.17e+06
assign (resid  88 and name HD2# ) (resid  91 and name   HB )  4.0  2.2  1.5 ! A.2519 at 9.89e+05
assign (resid  88 and name HD2# ) (resid  92 and name HG2# )  3.0  1.2  1.3 ! A.2521 at 2.32e+06

! I89
assign (resid  89 and name HG2# ) (resid  90 and name   HA )  4.0  2.2  1.5 ! A.1884 at 9.07e+05
assign (resid  89 and name HG2# ) (resid  93 and name  HB# )  3.0  1.2  1.3 ! A.1892 at 1.59e+06

! D90
assign (resid  90 and name  HB# ) (resid  91 and name HG2# )  4.0  2.2  2.0 ! A.2609 at -7.21e+05
assign (resid  90 and name   HA ) (resid  91 and name HG2# )  4.0  2.2  1.5 ! A.2580 at 7.75e+05
assign (resid  90 and name   HA ) (resid  93 and name  HB# )  2.5  0.7  0.7 ! A.72   at 3.43e+06

! V91
assign (resid  91 and name HG1# ) (resid  91 and name   HA )  2.5  0.7  0.7 ! A.2584 at 3.75e+06
assign (resid  91 and name HG2# ) (resid  91 and name   HA )  2.5  0.7  0.7 ! A.2585 at 4.96e+06
assign (resid  91 and name HG1# ) (resid  92 and name   HA )  4.0  2.2  1.5 ! A.2619 at 7.96e+05
assign (resid  91 and name   HA ) (resid  94 and name  HB# )  4.0  2.2  1.5 ! A.2680 at 6.14e+05

! I92
assign (resid  92 and name HD1# ) (resid  92 and name   HA )  4.0  2.2  1.5 ! A.2616 at 5.81e+05
assign (resid  92 and name HG2# ) (resid  92 and name   HA )  3.0  1.2  0.8 ! A.2617 at 2.85e+06
assign (resid  92 and name   HA ) (resid  95 and name HD2# )  4.0  2.2  1.5 ! A.2707 at 8.09e+05
assign (resid  92 and name   HA ) (resid  95 and name  HB2 )  4.0  2.2  1.0 ! A.74   at -8.22e+05
assign (resid  92 and name   HA ) (resid  95 and name HD1# )  4.0  2.2  2.5 ! A.2621 at 4.89e+05
assign (resid  92 and name   HA ) (resid  95 and name  HB1 )  4.0  2.2  1.0 ! A.2692 at -7.87e+05
assign (resid  92 and name HG2# ) (resid  95 and name HD2# )  4.0  2.2  2.0 ! A.2644 at 9.90e+05

! A93
assign (resid  93 and name  HB# ) (resid  94 and name   HA )  4.0  2.2  1.5 ! A.377  at 6.15e+05

! H94
assign (resid  94 and name   HA ) (resid  97 and name  HB1 )  4.0  2.2  1.0 ! A.1783 at 8.51e+05
assign (resid  94 and name   HA ) (resid  97 and name  HB2 )  4.0  2.2  1.0 ! A.78   at 7.78e+05

! L95
assign (resid  95 and name HD2# ) (resid  95 and name   HA )  3.0  1.2  0.8 ! A.2687 at 1.35e+06
assign (resid  95 and name HD1# ) (resid  98 and name  HE# )  4.0  2.2  2.0 ! A.2781 at 9.56e+05
assign (resid  95 and name   HA ) (resid  98 and name  HB2 )  4.0  2.2  1.0 ! A.2768 at 1.12e+06
assign (resid 95 and name HG ) (resid 99 and name HD# ) 4.0 2.2 1.0 ! A.608 at -5.10e+05 
assign (resid 95 and name HD1# ) (resid 99 and name HD# ) 4.0 2.2 1.5 ! A.611 at -8.47e+05 
assign (resid 95 and name HG ) (resid 99 and name HE# ) 4.0 2.2 1.0 ! A.2703 at -6.37e+05 
assign (resid 95 and name HD1# ) (resid 99 and name HE# ) 3.0 1.2 0.8 ! A.617 at -1.30e+06 
assign (resid 95 and name HD2# ) (resid 99 and name HE# ) 3.0 1.2 0.8 ! A.2716 at -1.60e+06 
assign ((resid 53 or resid 43) and name HA ) (resid 95 and name HD2# ) 4.0 2.2 1.5 ! A.2708 at 1.24e+06

! C96
assign (resid  96 and name   HA ) (resid  99 and name  HB1 )  4.0  2.2  2.0 ! A.1658 at -4.06e+05
assign (resid  96 and name   HA ) (resid  99 and name  HB2 )  4.0  2.2  2.0 ! A.80   at -4.75e+05
assign (resid 96 and name HA ) (resid 99 and name HE# ) 4.0 2.2 1.0 ! A.620 at -7.91e+05 

! E97
assign (resid  97 and name  HG2 ) (resid  97 and name   HA )  4.0  2.2  1.0 ! A.2731 at -8.57e+05
assign (resid  97 and name  HG1 ) (resid  97 and name   HA )  4.0  2.2  1.0 ! A.2730 at -5.42e+05
assign (resid  97 and name   HA ) (resid 100 and name  HB1 )  4.0  2.2  1.0 ! A.83   at 1.18e+06
assign (resid  97 and name   HA ) (resid 100 and name  HB2 )  4.0  2.2  1.0 ! A.84   at 6.15e+05

! M98
assign (resid  98 and name   HA ) (resid  98 and name  HG1 )  3.0  1.2  0.3 ! A.2762 at 1.69e+06
assign (resid  98 and name  HE# ) (resid  98 and name  HB1 )  4.0  2.2  1.5 ! A.2755 at 9.35e+05
assign (resid  98 and name  HE# ) (resid  98 and name  HB2 )  4.0  2.2  1.5 ! A.2761 at 9.02e+05
assign (resid  98 and name  HE# ) (resid  98 and name   HA )  4.0  2.2  1.5 ! A.2750 at 1.13e+06
assign (resid  98 and name   HA ) (resid 101 and name  HD1 )  3.0  1.2  0.3 ! A.2749 at -1.39e+06
assign (resid  98 and name   HA ) (resid 101 and name  HD2 )  4.0  2.2  1.0 ! A.2829 at -9.61e+05
assign (resid  98 and name  HE# ) (resid 101 and name  HD1 )  4.0  2.2  1.5 ! A.2778 at -7.27e+05

! Y99
assign (resid 99 and name HE# ) (resid 99 and name HA ) 4.0 2.2 1.0 ! A.2788 at -7.18e+05 
assign (resid 99 and name HD# ) (resid 99 and name HA ) 3.0 1.2 0.3 ! A.2789 at -2.55e+06 
assign (resid  99 and name   HA ) (resid 102 and name  HB# )  4.0  2.2  1.5 ! A.87   at 9.24e+05

! R100
assign (resid 100 and name   HA ) (resid 100 and name  HG# )  4.0  2.2  1.5 ! A.2804 at 9.05e+05

! R101
assign (resid 101 and name  HD1 ) (resid 101 and name  HB2 )  3.0  1.2  0.3 ! A.2819 at -2.01e+06
assign (resid 101 and name   HA ) (resid 101 and name  HG2 )  3.0  1.2  0.3 ! A.2822 at 2.68e+06
assign (resid 101 and name   HA ) (resid 101 and name  HG1 )  3.0  1.2  0.3 ! A.2821 at 2.67e+06
assign (resid 101 and name   HA ) (resid 101 and name  HD1 )  4.0  2.2  1.0 ! A.2824 at -1.05e+06
assign (resid 101 and name   HA ) (resid 101 and name  HD2 )  4.0  2.2  1.0 ! A.2828 at -9.73e+05

! S102

! I103
assign (resid 103 and name   HA ) (resid 104 and name  HG2 )  4.0  2.2  1.0 ! A.733  at 8.84e+05
assign (resid 103 and name HG2# ) (resid 105 and name  HG# )  3.0  1.2  1.3 ! A.2887 at 1.39e+06
assign (resid 103 and name HG2# ) (resid 105 and name  HD# )  3.0  1.2  1.3 ! A.2885 at -1.39e+06
assign (resid 103 and name HG2# ) (resid 105 and name   HA )  4.0  2.2  1.5 ! A.2854 at 6.92e+05

! P104

! R105
assign (resid 105 and name  HD# ) (resid 105 and name  HB1 )  3.0  1.2  0.8 ! A.2880 at -2.77e+06
assign (resid 105 and name  HD# ) (resid 105 and name  HB2 )  3.0  1.2  0.8 ! A.2883 at -2.69e+06
assign (resid 105 and name   HA ) (resid 105 and name  HD# )  2.5  0.7  0.7 ! A.2884 at -3.89e+06
assign (resid 105 and name   HA ) (resid 106 and name  HG# )  4.0  2.2  1.5 ! A.2230 at -6.45e+05

! E106
assign (resid 106 and name  HG# ) (resid 106 and name   HA )  3.0  1.2  0.8 ! A.2889 at -3.16e+06

! V107
assign (resid 107 and name HG1# ) (resid 107 and name   HA )  3.0  1.2  0.8 ! A.2893 at 1.26e+06
assign (resid 107 and name HG2# ) (resid 107 and name   HA )  3.0  1.2  0.8 ! A.2894 at 1.31e+06


! SEGID b
!
! A1

! M2
assign (resid 202 and name HA ) (resid 202 and name HG# ) 2.5 0.7 0.7 ! A.693 at 4.47e+06

! A3

! R4
assign (resid 204 and name HA ) (resid 204 and name HG# ) 3.0 1.2 0.8 ! A.688 at 1.31e+06
assign (resid 204 and name HD# ) (resid 204 and name HB2 ) 3.0 1.2 0.8 ! A.686 at 1.29e+06

! M5
assign (resid 205 and name HG# ) (resid 209 and name HB2 ) 3.0 1.2 0.8 ! A.758 at -1.26e+06
assign (resid 205 and name HG# ) (resid 209 and name HB1 ) 4.0 2.2 1.5 ! A.752 at -1.24e+06
assign (resid 205 and name HG# ) (resid 209 and name HA ) 4.0 2.2 1.5 ! A.754 at 5.81e+05

! S6
assign (resid 206 and name HA ) (resid 207 and name HB1 ) 4.0 2.2 1.0 ! A.721 at 5.28e+05
assign (resid 206 and name HA ) (resid 207 and name HB2 ) 4.0 2.2 2.0 ! A.722 at 4.74e+05
assign (resid 206 and name HB2 ) (resid 207 and name HD1 ) 4.0 2.2 1.0 ! A.291 at -1.89e+06 (widened1)
assign (resid 206 and name HA ) (resid 207 and name HD1 ) 2.5 0.7 0.2 ! A.289 at -5.90e+06
assign (resid 206 and name HB1 ) (resid 207 and name HD1 ) 3.0 1.2 0.3 ! A.292 at -2.54e+06
assign (resid 206 and name HB1 ) (resid 207 and name HD2 ) 3.0 1.2 0.3 ! A.295 at -2.60e+06
assign (resid 206 and name HA ) (resid 207 and name HD2 ) 2.5 0.7 0.2 ! A.293 at -5.54e+06
assign (resid 206 and name HB2 ) (resid 207 and name HD2 ) 3.0 1.2 0.3 ! A.294 at -1.76e+06
assign (resid 206 and name HA ) (resid 207 and name HG1 ) 4.0 2.2 1.0 ! A.701 at 7.94e+05
assign (resid 206 and name HB1 ) (resid 207 and name HG1 ) 4.0 2.2 1.0 ! A.704 at 5.87e+05
assign (resid 206 and name HA ) (resid 207 and name HG2 ) 4.0 2.2 1.0 ! A.702 at 7.93e+05
assign (resid 206 and name HA ) (resid 207 and name HA ) 4.0 2.2 1.0 ! A.699 at 8.18e+05
assign (resid 206 and name HB1 ) (resid 208 and name HB# ) 4.0 2.2 1.5 ! A.285 at 8.29e+05
assign (resid 206 and name HB2 ) (resid 208 and name HB# ) 4.0 2.2 1.5 ! A.709 at 5.48e+05

! P7
assign (resid 207 and name HA ) (resid 210 and name HB2 ) 3.0 1.2 0.3 ! A.1 at 1.65e+06
assign (resid 207 and name HA ) (resid 210 and name HD# ) 4.0 2.2 1.5 ! A.775 at 9.11e+05
assign (resid 207 and name HA ) (resid 210 and name HG# ) 4.0 2.2 1.5 ! A.773 at 6.48e+05

! A8
assign (resid 208 and name HB# ) (resid 209 and name HA ) 4.0 2.2 1.5 ! A.742 at 8.09e+05
assign (resid 208 and name HB# ) (resid 211 and name HB# ) 4.0 2.2 2.0 ! A.791 at 9.39e+05
assign (resid 208 and name HA ) (resid 211 and name HB# ) 3.0 1.2 0.8 ! A.792 at 2.22e+06
assign (resid 208 and name HB# ) (resid 211 and name HD# ) 4.0 2.2 2.0 ! A.744 at -5.93e+05
assign (resid 208 and name HA ) (resid 211 and name HG# ) 4.0 2.2 1.5 ! A.738 at 1.04e+06
assign (resid 208 and name HA ) (resid 211 and name HD# ) 4.0 2.2 1.5 ! A.740 at -8.49e+05
assign (resid 208 and name HB# ) (resid 212 and name HE# ) 4.0 2.2 2.0 ! A.821 at -8.85e+05

! D9
assign (resid 209 and name HA ) (resid 212 and name HB# ) 2.5 0.7 0.7 ! A.756 at 3.61e+06
assign (resid 209 and name HA ) (resid 212 and name HD# ) 3.0 1.2 0.8 ! A.963 at 1.51e+06
assign (resid 209 and name HA ) (resid 212 and name HG1 ) 4.0 2.2 1.0 ! A.812 at 6.04e+05

! K10
assign (resid 210 and name HE# ) (resid 210 and name HB2 ) 4.0 2.2 1.5 ! A.772 at -1.04e+06
assign (resid 210 and name HA ) (resid 210 and name HD# ) 2.5 0.7 0.7 ! A.776 at 4.34e+06
assign (resid 210 and name HG# ) (resid 210 and name HA ) 2.5 0.7 0.7 ! A.766 at 4.00e+06
assign (resid 210 and name HA ) (resid 213 and name HD* ) 2.5 0.7 0.7 ! A.875 at 4.35e+06
assign (resid 210 and name HE# ) (resid 213 and name HD* ) 3.0 1.2 1.3 ! A.840 at -2.79e+06
assign (resid 210 and name HA ) (resid 213 and name HB1 ) 3.0 1.2 0.3 ! A.12 at -1.91e+06
assign (resid 210 and name HE# ) (resid 214 and name HD1# ) 3.0 1.2 1.3 ! A.2129 at -1.38e+06
assign (resid 210 and name HE# ) (resid 214 and name HD2# ) 3.0 1.2 1.3 ! A.779 at -3.06e+06
assign (resid 210 and name HE# ) (resid 249 and name HB# ) 3.0 1.2 1.3 ! A.785 at -1.28e+06
assign (resid 210 and name HE# ) (resid 251 and name HD1# ) 4.0 2.2 2.0 ! A.1712 at 1.09e+06
assign (resid 210 and name HD# ) (resid 251 and name HD1# ) 4.0 2.2 2.0 ! A.1723 at -8.11e+05
assign (resid 210 and name HE# ) (resid 251 and name HG2# ) 4.0 2.2 3.0 ! A.1709 at -4.86e+05

! R11
assign (resid 211 and name HA ) (resid 211 and name HD# ) 3.0 1.2 0.8 ! A.797 at -2.72e+06
assign (resid 211 and name HG# ) (resid 211 and name HA ) 2.5 0.7 0.7 ! A.788 at 6.15e+06
assign (resid 211 and name HD# ) (resid 214 and name HD2# ) 3.0 1.2 1.3 ! A.874 at -1.42e+06
assign (resid 211 and name HA ) (resid 214 and name HB2 ) 2.5 0.7 0.2 ! A.13 at -3.51e+06
assign (resid 211 and name HD# ) (resid 214 and name HB2 ) 4.0 2.2 1.5 ! A.825 at 5.92e+05

! K12
assign (resid 212 and name HG1 ) (resid 212 and name HA ) 3.0 1.2 0.3 ! A.804 at 2.21e+06
assign (resid 212 and name HD# ) (resid 212 and name HA ) 3.0 1.2 0.8 ! A.807 at 2.19e+06
assign (resid 212 and name HG2 ) (resid 212 and name HA ) 3.0 1.2 0.3 ! A.805 at 2.23e+06
assign (resid 212 and name HA ) (resid 215 and name HB2 ) 3.0 1.2 0.3 ! A.27 at -2.44e+06

! L13
assign (resid 213 and name HD* ) (resid 213 and name HA ) 2.5 0.7 0.7 ! A.826 at 6.91e+06
assign (resid 213 and name HA ) (resid 216 and name HB# ) 2.5 0.7 0.7 ! A.14 at 3.71e+06
assign (resid 213 and name HD* ) (resid 216 and name HB# ) 4.0 2.2 2.0 ! A.1467 at 1.18e+06
assign (resid 213 and name HG ) (resid 216 and name HG# ) 4.0 2.2 1.5 ! A.916 at -7.24e+05
assign (resid 213 and name HD* ) (resid 245 and name HD1 ) 4.0 2.2 1.5 ! A.1582 at 6.79e+05
assign (resid 213 and name HD* ) (resid 245 and name HD2 ) 4.0 2.2 2.5 ! A.2395 at 4.48e+05
assign (resid 213 and name HD* ) (resid 245 and name HB2 ) 4.0 2.2 1.5 ! A.1566 at -1.13e+06
assign (resid 213 and name HD* ) (resid 245 and name HB1 ) 4.0 2.2 1.5 ! A.1569 at -1.18e+06
assign (resid 213 and name HD* ) (resid 248 and name HD# ) 3.0 1.2 0.8 ! A.1634 at -1.28e+06
assign (resid 213 and name HD* ) (resid 248 and name HB# ) 4.0 2.2 2.0 ! A.1632 at -7.87e+05
assign (resid 213 and name HD* ) (resid 249 and name HA ) 3.0 1.2 0.8 ! A.1641 at -1.70e+06
assign (resid 213 and name HD* ) (resid 249 and name HB# ) 2.5 0.7 1.2 ! A.886 at 8.94e+06

! L14
assign (resid 214 and name HD1# ) (resid 214 and name HA ) 2.5 0.7 0.7 ! A.856 at 5.18e+06
assign (resid 214 and name HG ) (resid 214 and name HA ) 3.0 1.2 0.3 ! A.855 at 2.37e+06
assign (resid 214 and name HD2# ) (resid 214 and name HA ) 3.0 1.2 0.8 ! A.857 at 2.79e+06
assign (resid 214 and name HG ) (resid 217 and name HD1# ) 3.0 1.2 0.8 ! A.833 at 1.39e+06
assign (resid 214 and name HA ) (resid 217 and name HD1# ) 3.0 1.2 0.8 ! A.862 at 2.59e+06
assign (resid 214 and name HD2# ) (resid 217 and name HD1# ) 2.5 0.7 1.2 ! A.864 at 4.94e+06
assign (resid 214 and name HD1# ) (resid 217 and name HD1# ) 2.5 0.7 1.2 ! A.2436 at 4.12e+06
assign (resid 214 and name HD2# ) (resid 217 and name HD2# ) 3.0 1.2 1.3 ! A.2201 at 3.05e+06
assign (resid 214 and name HD2# ) (resid 217 and name HB2 ) 4.0 2.2 1.5 ! A.934 at -7.09e+05
assign (resid 214 and name HD1# ) (resid 217 and name HB2 ) 4.0 2.2 2.5 ! A.935 at -4.33e+05
assign (resid 214 and name HA ) (resid 217 and name HD2# ) 4.0 2.2 1.5 ! A.852 at 8.39e+05
assign (resid 214 and name HA ) (resid 217 and name HB2 ) 3.0 1.2 0.3 ! A.5 at -1.56e+06
assign (resid 214 and name HA ) (resid 217 and name HB1 ) 4.0 2.2 1.0 ! A.6 at -7.42e+05
assign (resid 214 and name HD2# ) (resid 245 and name HE# ) 3.0 1.2 1.3 ! A.2130 at -2.22e+06
assign (resid 214 and name HD1# ) (resid 246 and name HB# ) 4.0 2.2 2.0 ! A.895 at 6.00e+05
assign (resid 214 and name HD2# ) (resid 246 and name HA ) 4.0 2.2 1.5 ! A.1603 at 8.13e+05
assign (resid 214 and name HD2# ) (resid 249 and name HB# ) 2.5 0.7 1.2 ! A.1650 at 8.87e+06
assign (resid 214 and name HD2# ) (resid 251 and name HD1# ) 2.5 0.7 1.2 ! A.1716 at -4.15e+06
assign (resid 214 and name HD1# ) (resid 251 and name HD1# ) 3.0 1.2 1.3 ! A.1718 at -3.09e+06
assign (resid 214 and name HG ) (resid 251 and name HD1# ) 4.0 2.2 1.5 ! A.1722 at -9.87e+05
assign (resid 214 and name HD1# ) (resid 251 and name HA ) 4.0 2.2 1.5 ! A.1672 at 7.42e+05
assign (resid 214 and name HD2# ) (resid 251 and name HA ) 4.0 2.2 1.5 ! A.1673 at 1.24e+06
assign (resid 214 and name HD2# ) (resid 251 and name HG2# ) 3.0 1.2 1.3 ! A.1704 at 3.19e+06
assign (resid 214 and name HD1# ) (resid 255 and name HB2 ) 4.0 2.2 1.5 ! A.1775 at 6.11e+05
assign (resid 214 and name HD1# ) (resid 255 and name HB1 ) 3.0 1.2 0.8 ! A.1779 at 2.03e+06
assign (resid 214 and name HD2# ) (resid 255 and name HB1 ) 3.0 1.2 0.8 ! A.1782 at 1.45e+06
assign (resid 214 and name HD2# ) (resid 255 and name HG# ) 3.0 1.2 1.3 ! A.873 at -1.30e+06
assign (resid 214 and name HD1# ) (resid 255 and name HG# ) 3.0 1.2 1.3 ! A.893 at -1.70e+06

! D15
assign (resid 215 and name HA ) (resid 218 and name HD# ) 2.5 0.7 0.7 ! A.902 at -3.60e+06
assign (resid 215 and name HA ) (resid 218 and name HB# ) 3.0 1.2 0.8 ! A.901 at 2.11e+06

! E16
assign (resid 216 and name HB# ) (resid 219 and name HB# ) 4.0 2.2 2.0 ! A.904 at 6.05e+05
assign (resid 216 and name HA ) (resid 219 and name HB# ) 2.5 0.7 0.7 ! A.977 at 5.49e+06
assign (resid 216 and name HG# ) (resid 219 and name HB# ) 4.0 2.2 2.0 ! A.917 at -7.13e+05
assign (resid 216 and name HG# ) (resid 220 and name HD1# ) 3.0 1.2 1.3 ! A.909 at -1.49e+06
assign (resid 216 and name HA ) (resid 220 and name HD1# ) 4.0 2.2 1.5 ! A.1023 at 6.84e+05
assign (resid 216 and name HB# ) (resid 245 and name HE# ) 3.0 1.2 1.3 ! A.1600 at -1.58e+06

! L17
assign (resid 217 and name HB2 ) (resid 217 and name HD1# ) 3.0 1.2 0.8 ! A.867 at -2.03e+06
assign (resid 217 and name HD2# ) (resid 217 and name HA ) 2.5 0.7 0.7 ! A.921 at 5.60e+06
assign (resid 217 and name HD1# ) (resid 217 and name HA ) 4.0 2.2 1.5 ! A.922 at 1.12e+06
assign (resid 217 and name HG ) (resid 220 and name HD1# ) 4.0 2.2 2.5 ! A.940 at 4.13e+05
assign (resid 217 and name HD2# ) (resid 220 and name HD1# ) 3.0 1.2 1.3 ! A.105 at 2.90e+06
assign (resid 217 and name HD2# ) (resid 220 and name HB ) 4.0 2.2 1.5 ! A.945 at -7.40e+05
assign (resid 217 and name HA ) (resid 220 and name HG2# ) 4.0 2.2 1.5 ! A.1009 at 7.26e+05
assign (resid 217 and name HD2# ) (resid 220 and name HG2# ) 4.0 2.2 2.0 ! A.192 at 1.24e+06
assign (resid 217 and name HA ) (resid 220 and name HB ) 4.0 2.2 1.0 ! A.989 at -1.19e+06
assign (resid 217 and name HA ) (resid 220 and name HD1# ) 3.0 1.2 0.8 ! A.920 at 2.23e+06
assign (resid 217 and name HD2# ) (resid 242 and name HD# ) 4.0 2.2 1.5 ! A.570 at -6.88e+05
assign (resid 217 and name HD2# ) (resid 242 and name HE# ) 4.0 2.2 1.5 ! A.2409 at -6.20e+05
assign (resid 217 and name HD2# ) (resid 242 and name HA ) 3.0 1.2 0.8 ! A.101 at 1.91e+06
assign (resid 217 and name HD2# ) (resid 245 and name HD1 ) 4.0 2.2 1.5 ! A.1581 at 8.27e+05
assign (resid 217 and name HD2# ) (resid 245 and name HD2 ) 4.0 2.2 1.5 ! A.1585 at 8.46e+05
assign (resid 217 and name HD2# ) (resid 245 and name HG1 ) 4.0 2.2 1.5 ! A.834 at 1.06e+06
assign (resid 217 and name HD2# ) (resid 245 and name HE# ) 4.0 2.2 2.0 ! A.951 at -6.33e+05
assign (resid 217 and name HD2# ) (resid 245 and name HB1 ) 3.0 1.2 0.8 ! A.950 at -2.04e+06
assign (resid 217 and name HD2# ) (resid 245 and name HB2 ) 3.0 1.2 0.8 ! A.949 at -1.93e+06
assign (resid 217 and name HD1# ) (resid 246 and name HA ) 3.0 1.2 0.8 ! A.131 at 2.08e+06
assign (resid 217 and name HD1# ) (resid 246 and name HB# ) 3.0 1.2 1.3 ! A.133 at 2.41e+06
assign (resid 217 and name HD2# ) (resid 246 and name HA ) 4.0 2.2 1.5 ! A.100 at 1.17e+06
assign (resid 217 and name HD2# ) (resid 246 and name HB# ) 3.0 1.2 1.3 ! A.104 at 2.94e+06
assign (resid 217 and name HD2# ) (resid 249 and name HB# ) 4.0 2.2 3.0 ! A.2148 at -4.87e+05
assign (resid 217 and name HD1# ) (resid 251 and name HD1# ) 2.5 0.7 1.2 ! A.146 at -4.10e+06
assign (resid 217 and name HD2# ) (resid 251 and name HD1# ) 4.0 2.2 2.0 ! A.1720 at -6.99e+05
assign (resid 217 and name HD1# ) (resid 251 and name HG2# ) 3.0 1.2 1.3 ! A.132 at 2.20e+06
assign (resid 217 and name HD1# ) (resid 251 and name HG11 ) 4.0 2.2 1.5 ! A.942 at 8.70e+05
assign (resid 217 and name HD1# ) (resid 251 and name HG12 ) 4.0 2.2 1.5 ! A.943 at 8.95e+05
assign (resid 217 and name HD2# ) (resid 251 and name HG2# ) 4.0 2.2 2.0 ! A.226 at 7.23e+05
assign (resid 217 and name HD1# ) (resid 256 and name HG2# ) 4.0 2.2 2.0 ! A.1819 at 6.25e+05
assign (resid 217 and name HD1# ) (resid 259 and name HD1# ) 3.0 1.2 1.3 ! A.863 at 1.47e+06
assign (resid 217 and name HB2 ) (resid 259 and name HD1# ) 4.0 2.2 1.5 ! A.936 at -6.60e+05
assign (resid 217 and name HD2# ) (resid 259 and name HD1# ) 4.0 2.2 2.0 ! A.1899 at 8.31e+05
assign (resid 217 and name HB1 ) (resid 259 and name HD1# ) 4.0 2.2 1.5 ! A.1898 at -7.67e+05

! R18
assign (resid 218 and name HA ) (resid 218 and name HD# ) 4.0 2.2 1.5 ! A.968 at -7.47e+05
assign (resid 218 and name HA ) (resid 221 and name HB2 ) 4.0 2.2 1.0 ! A.1657 at -7.08e+05
assign (resid 218 and name HA ) (resid 221 and name HB1 ) 4.0 2.2 1.0 ! A.9 at -7.09e+05
assign (resid 218 and name HG# ) (resid 259 and name HD1# ) 4.0 2.2 2.0 ! A.962 at 6.36e+05
assign (resid 218 and name HG# ) (resid 259 and name HG2# ) 3.0 1.2 1.3 ! A.1889 at 1.47e+06
assign (resid 218 and name HD# ) (resid 259 and name HG2# ) 4.0 2.2 2.0 ! A.967 at -5.42e+05
assign (resid 218 and name HA ) (resid 259 and name HG2# ) 2.5 0.7 0.7 ! A.373 at 4.27e+06
assign (resid 218 and name HA ) (resid 259 and name HD1# ) 3.0 1.2 0.8 ! A.372 at 1.42e+06
assign (resid 218 and name HD# ) (resid 259 and name HD1# ) 4.0 2.2 2.0 ! A.1902 at -6.92e+05

! S19
assign (resid 219 and name HB# ) (resid 220 and name HG12 ) 4.0 2.2 1.5 ! A.999 at 5.20e+05
assign (resid 219 and name HA ) (resid 222 and name HD# ) 3.0 1.2 0.8 ! A.1066 at -1.39e+06
assign (resid 219 and name HB# ) (resid 222 and name HD# ) 4.0 2.2 2.0 ! A.980 at -7.68e+05
assign (resid 219 and name HA ) (resid 222 and name HG1 ) 4.0 2.2 1.0 ! A.974 at 6.06e+05
assign (resid 219 and name HA ) (resid 222 and name HB2 ) 4.0 2.2 1.0 ! A.17 at 9.76e+05
assign (resid 219 and name HA ) (resid 222 and name HB1 ) 4.0 2.2 1.0 ! A.15 at 1.24e+06

! I20
assign (resid 220 and name HA ) (resid 220 and name HG11 ) 3.0 1.2 0.3 ! A.996 at 1.45e+06
assign (resid 220 and name HG2# ) (resid 220 and name HA ) 2.5 0.7 0.7 ! A.982 at 4.88e+06
assign (resid 220 and name HG12 ) (resid 220 and name HA ) 3.0 1.2 0.3 ! A.985 at 1.58e+06
assign (resid 220 and name HD1# ) (resid 220 and name HA ) 3.0 1.2 0.8 ! A.983 at 1.90e+06
assign (resid 220 and name HA ) (resid 223 and name HB ) 3.0 1.2 0.3 ! A.1075 at 2.70e+06
assign (resid 220 and name HG2# ) (resid 223 and name HB ) 4.0 2.2 1.5 ! A.1076 at 1.10e+06
assign (resid 220 and name HA ) (resid 223 and name HG2# ) 4.0 2.2 1.5 ! A.984 at 1.20e+06
assign (resid 220 and name HG2# ) (resid 224 and name HD1# ) 2.5 0.7 1.2 ! A.193 at 3.75e+06
assign (resid 220 and name HG2# ) (resid 224 and name HG2# ) 4.0 2.2 2.0 ! A.1014 at 6.17e+05
assign (resid 220 and name HB ) (resid 224 and name HD1# ) 4.0 2.2 1.5 ! A.995 at -5.57e+05
assign (resid 220 and name HG2# ) (resid 238 and name HB1 ) 4.0 2.2 1.5 ! A.1411 at 8.54e+05
assign (resid 220 and name HG2# ) (resid 238 and name HG# ) 3.0 1.2 1.3 ! A.1011 at 1.46e+06
assign (resid 220 and name HG2# ) (resid 238 and name HD1 ) 3.0 1.2 0.8 ! A.969 at -1.34e+06
assign (resid 220 and name HG2# ) (resid 238 and name HD2 ) 4.0 2.2 1.5 ! A.1399 at -1.08e+06
assign (resid 220 and name HG2# ) (resid 238 and name HA ) 4.0 2.2 1.5 ! A.1008 at 8.66e+05
assign (resid 220 and name HG2# ) (resid 239 and name HG11 ) 4.0 2.2 1.5 ! A.1010 at 1.08e+06
assign (resid 220 and name HG2# ) (resid 239 and name HA ) 4.0 2.2 1.5 ! A.1006 at 6.18e+05
assign (resid 220 and name HG2# ) (resid 241 and name HB2 ) 4.0 2.2 1.5 ! A.905 at 7.28e+05
assign (resid 220 and name HG2# ) (resid 241 and name HG1 ) 4.0 2.2 1.5 ! A.1476 at -7.74e+05
assign (resid 220 and name HG2# ) (resid 241 and name HG2 ) 4.0 2.2 1.5 ! A.1012 at -6.36e+05
assign (resid 220 and name HD1# ) (resid 241 and name HG2 ) 3.0 1.2 0.8 ! A.1469 at -2.91e+06
assign (resid 220 and name HB ) (resid 242 and name HD# ) 4.0 2.2 1.0 ! A.1494 at 5.67e+05
assign (resid 220 and name HG2# ) (resid 242 and name HD# ) 3.0 1.2 0.8 ! A.185 at -1.50e+06
assign (resid 220 and name HD1# ) (resid 242 and name HA ) 3.0 1.2 0.8 ! A.400 at 1.41e+06
assign (resid 220 and name HG2# ) (resid 242 and name HA ) 3.0 1.2 0.8 ! A.399 at 2.20e+06
assign (resid 220 and name HB ) (resid 242 and name HA ) 4.0 2.2 2.0 ! A.1480 at -4.82e+05
assign (resid 220 and name HG2# ) (resid 242 and name HB1 ) 3.0 1.2 0.8 ! A.190 at -1.35e+06
assign (resid 220 and name HG2# ) (resid 242 and name HB2 ) 3.0 1.2 0.8 ! A.1488 at -1.29e+06
assign (resid 220 and name HD1# ) (resid 242 and name HD# ) 4.0 2.2 1.5 ! A.1024 at -7.36e+05
assign (resid 220 and name HD1# ) (resid 245 and name HD1 ) 4.0 2.2 1.5 ! A.1583 at 8.77e+05
assign (resid 220 and name HD1# ) (resid 245 and name HD2 ) 3.0 1.2 0.8 ! A.1018 at 1.73e+06
assign (resid 220 and name HD1# ) (resid 245 and name HE# ) 3.0 1.2 1.3 ! A.780 at -1.88e+06
assign (resid 220 and name HD1# ) (resid 245 and name HG1 ) 4.0 2.2 1.5 ! A.1025 at 9.74e+05

! Y21
assign (resid 221 and name HD# ) (resid 221 and name HA ) 3.0 1.2 0.3 ! A.403 at -1.47e+06
assign (resid 221 and name HD# ) (resid 224 and name HD1# ) 4.0 2.2 1.5 ! A.527 at -8.21e+05
assign (resid 221 and name HA ) (resid 224 and name HB ) 3.0 1.2 0.3 ! A.20 at -1.60e+06
assign (resid 221 and name HA ) (resid 224 and name HG2# ) 4.0 2.2 1.5 ! A.404 at 1.05e+06
assign (resid 221 and name HA ) (resid 224 and name HD1# ) 3.0 1.2 0.8 ! A.402 at 2.55e+06
assign (resid 221 and name HE# ) (resid 224 and name HG2# ) 4.0 2.2 1.5 ! A.1131 at -6.61e+05
assign (resid 221 and name HD# ) (resid 225 and name HG2# ) 3.0 1.2 0.8 ! A.124 at -1.27e+06
assign (resid 221 and name HA ) (resid 225 and name HG2# ) 4.0 2.2 2.5 ! A.1165 at 4.60e+05
assign (resid 221 and name HE# ) (resid 225 and name HG2# ) 3.0 1.2 0.8 ! A.123 at -2.28e+06
assign (resid 221 and name HE# ) (resid 256 and name HG2# ) 4.0 2.2 2.5 ! A.1816 at -4.19e+05
assign (resid 221 and name HE# ) (resid 256 and name HG1# ) 4.0 2.2 1.5 ! A.1811 at -7.20e+05
assign (resid 221 and name HD# ) (resid 259 and name HG2# ) 3.0 1.2 0.8 ! A.1044 at -1.59e+06
assign (resid 221 and name HA ) (resid 259 and name HG2# ) 4.0 2.2 1.5 ! A.1029 at 5.28e+05
assign (resid 221 and name HB2 ) (resid 259 and name HG2# ) 3.0 1.2 0.8 ! A.1879 at -1.28e+06
assign (resid 221 and name HB1 ) (resid 259 and name HG2# ) 3.0 1.2 0.8 ! A.1880 at -1.44e+06
assign (resid 221 and name HE# ) (resid 259 and name HG2# ) 4.0 2.2 1.5 ! A.1882 at -7.97e+05
assign (resid 221 and name HD# ) (resid 260 and name HA ) 4.0 2.2 1.0 ! A.523 at -1.11e+06
assign (resid 221 and name HE# ) (resid 260 and name HA ) 3.0 1.2 0.3 ! A.387 at -2.99e+06
assign (resid 221 and name HE# ) (resid 260 and name HB1 ) 4.0 2.2 1.0 ! A.541 at -6.69e+05
assign (resid 221 and name HD# ) (resid 263 and name HD1# ) 4.0 2.2 1.5 ! A.534 at -7.46e+05
assign (resid 221 and name HD# ) (resid 263 and name HB# ) 4.0 2.2 2.5 ! A.1043 at 4.76e+05
assign (resid 221 and name HD# ) (resid 263 and name HD2# ) 3.0 1.2 0.8 ! A.530 at -1.71e+06
assign (resid 221 and name HE# ) (resid 263 and name HD2# ) 3.0 1.2 0.8 ! A.1973 at -1.33e+06
assign (resid 221 and name HE# ) (resid 263 and name HD1# ) 4.0 2.2 1.5 ! A.1989 at -5.18e+05
assign (resid 221 and name HE# ) (resid 263 and name HB# ) 4.0 2.2 1.5 ! A.1045 at 7.28e+05
assign (resid 221 and name HE# ) (resid 264 and name HE# ) 3.0 1.2 0.8 ! A.247 at -1.26e+06
assign (resid 221 and name HE# ) (resid 287 and name HG2# ) 4.0 2.2 1.5 ! A.506 at -1.23e+06
assign (resid 221 and name HD# ) (resid 287 and name HG2# ) 4.0 2.2 1.5 ! A.507 at -5.12e+05
assign (resid 221 and name HE# ) (resid 288 and name HA ) 4.0 2.2 1.0 ! A.1046 at -7.11e+05
assign (resid 221 and name HE# ) (resid 291 and name HB ) 4.0 2.2 1.0 ! A.2589 at -6.44e+05
assign (resid 221 and name HD# ) (resid 291 and name HG1# ) 4.0 2.2 1.5 ! A.535 at -1.10e+06
assign (resid 221 and name HD# ) (resid 291 and name HG2# ) 4.0 2.2 1.5 ! A.533 at -9.62e+05
assign (resid 221 and name HE# ) (resid 291 and name HG2# ) 3.0 1.2 0.8 ! A.2605 at -2.99e+06
assign (resid 221 and name HE# ) (resid 291 and name HG1# ) 3.0 1.2 0.8 ! A.2593 at -1.65e+06

! R22
assign (resid 222 and name HA ) (resid 222 and name HD# ) 3.0 1.2 0.8 ! A.799 at -1.73e+06
assign (resid 222 and name HG1 ) (resid 222 and name HA ) 3.0 1.2 0.3 ! A.1049 at 1.72e+06
assign (resid 222 and name HG1 ) (resid 223 and name HA ) 4.0 2.2 2.0 ! A.1060 at 4.70e+05
assign (resid 222 and name HA ) (resid 225 and name HB ) 3.0 1.2 0.3 ! A.1151 at 1.71e+06
assign (resid 222 and name HA ) (resid 225 and name HG2# ) 3.0 1.2 0.8 ! A.126 at 1.69e+06
assign (resid 222 and name HA ) (resid 225 and name HG1# ) 4.0 2.2 1.5 ! A.1161 at 7.22e+05
assign (resid 222 and name HD# ) (resid 226 and name HD1# ) 3.0 1.2 1.3 ! A.1189 at -2.12e+06
assign (resid 222 and name HG1 ) (resid 263 and name HD2# ) 4.0 2.2 1.5 ! A.1986 at 8.89e+05
assign (resid 222 and name HA ) (resid 263 and name HD2# ) 3.0 1.2 0.8 ! A.1974 at 3.07e+06
assign (resid 222 and name HD# ) (resid 263 and name HD2# ) 3.0 1.2 1.3 ! A.1975 at -1.53e+06
assign (resid 222 and name HA ) (resid 263 and name HD1# ) 3.0 1.2 0.8 ! A.878 at 1.67e+06
assign (resid 222 and name HD# ) (resid 263 and name HD1# ) 2.5 0.7 1.2 ! A.1987 at -6.28e+06
assign (resid 222 and name HD# ) (resid 263 and name HA ) 4.0 2.2 1.5 ! A.798 at -1.02e+06
assign (resid 222 and name HA ) (resid 264 and name HE# ) 4.0 2.2 1.5 ! A.2025 at 6.04e+05
assign (resid 222 and name HG2 ) (resid 267 and name HZ ) 4.0 2.2 1.0 ! A.2432 at -7.18e+05

! T23
assign (resid 223 and name HG2# ) (resid 223 and name HA ) 2.5 0.7 0.7 ! A.2227 at 5.36e+06
assign (resid 223 and name HG2# ) (resid 224 and name HA ) 4.0 2.2 1.5 ! A.1095 at 7.36e+05
assign (resid 223 and name HA ) (resid 226 and name HB2 ) 3.0 1.2 0.3 ! A.23 at -1.80e+06
assign (resid 223 and name HA ) (resid 226 and name HD1# ) 3.0 1.2 0.8 ! A.1188 at 2.80e+06
assign (resid 223 and name HA ) (resid 226 and name HB1 ) 3.0 1.2 0.3 ! A.24 at -1.32e+06
assign (resid 223 and name HA ) (resid 226 and name HG ) 4.0 2.2 1.0 ! A.1070 at 7.14e+05
assign (resid 223 and name HA ) (resid 226 and name HD2# ) 4.0 2.2 1.5 ! A.1196 at 6.62e+05
assign (resid 223 and name HG2# ) (resid 226 and name HD1# ) 4.0 2.2 2.0 ! A.477 at 1.17e+06
assign (resid 223 and name HG2# ) (resid 227 and name HG1 ) 3.0 1.2 0.8 ! A.1080 at -2.49e+06
assign (resid 223 and name HG2# ) (resid 227 and name HG2 ) 3.0 1.2 0.8 ! A.1081 at -1.40e+06
assign (resid 223 and name HG2# ) (resid 238 and name HB1 ) 4.0 2.2 1.5 ! A.1410 at 9.73e+05
assign (resid 223 and name HB ) (resid 238 and name HG# ) 4.0 2.2 1.5 ! A.1077 at 8.12e+05
assign (resid 223 and name HB ) (resid 238 and name HD2 ) 4.0 2.2 1.0 ! A.1073 at -1.05e+06
assign (resid 223 and name HB ) (resid 238 and name HD1 ) 4.0 2.2 1.0 ! A.1074 at -1.25e+06
assign (resid 223 and name HG2# ) (resid 238 and name HG# ) 3.0 1.2 1.3 ! A.1403 at 1.27e+06
assign (resid 223 and name HG2# ) (resid 238 and name HD1 ) 2.5 0.7 0.7 ! A.475 at -3.53e+06
assign (resid 223 and name HG2# ) (resid 238 and name HD2 ) 2.5 0.7 0.7 ! A.1398 at -3.55e+06

! I24
assign (resid 224 and name HG2# ) (resid 224 and name HA ) 2.5 0.7 0.7 ! A.1090 at 3.42e+06
assign (resid 224 and name HD1# ) (resid 224 and name HA ) 3.0 1.2 0.8 ! A.1091 at 1.70e+06
assign (resid 224 and name HG12 ) (resid 224 and name HA ) 4.0 2.2 1.0 ! A.1097 at 9.41e+05
assign (resid 224 and name HG2# ) (resid 225 and name HG2# ) 3.0 1.2 1.3 ! A.121 at 1.35e+06
assign (resid 224 and name HB ) (resid 225 and name HG2# ) 4.0 2.2 1.5 ! A.129 at -6.78e+05
assign (resid 224 and name HA ) (resid 227 and name HB2 ) 4.0 2.2 1.0 ! A.2756 at 1.06e+06
assign (resid 224 and name HG2# ) (resid 228 and name HD# ) 3.0 1.2 0.8 ! A.1116 at -1.36e+06
assign (resid 224 and name HG2# ) (resid 228 and name HE# ) 4.0 2.2 1.5 ! A.1130 at -5.89e+05
assign (resid 224 and name HA ) (resid 235 and name HG2# ) 4.0 2.2 1.5 ! A.1094 at 8.40e+05
assign (resid 224 and name HA ) (resid 235 and name HG1# ) 2.5 0.7 0.7 ! A.1362 at 3.57e+06
assign (resid 224 and name HD1# ) (resid 235 and name HG1# ) 4.0 2.2 2.0 ! A.1351 at 9.35e+05
assign (resid 224 and name HG2# ) (resid 235 and name HG1# ) 2.5 0.7 1.2 ! A.1349 at 4.20e+06
assign (resid 224 and name HG12 ) (resid 235 and name HG1# ) 4.0 2.2 1.5 ! A.1363 at 7.01e+05
assign (resid 224 and name HG2# ) (resid 235 and name HG2# ) 3.0 1.2 1.3 ! A.500 at 1.77e+06
assign (resid 224 and name HD1# ) (resid 238 and name HG# ) 4.0 2.2 2.0 ! A.1589 at 6.44e+05
assign (resid 224 and name HA ) (resid 238 and name HG# ) 4.0 2.2 1.5 ! A.1098 at 6.96e+05
assign (resid 224 and name HG2# ) (resid 238 and name HG# ) 4.0 2.2 2.0 ! A.1119 at 6.02e+05
assign (resid 224 and name HD1# ) (resid 238 and name HB2 ) 4.0 2.2 1.5 ! A.1140 at 1.06e+06
assign (resid 224 and name HG2# ) (resid 239 and name HG11 ) 3.0 1.2 0.8 ! A.2817 at 1.64e+06
assign (resid 224 and name HG2# ) (resid 239 and name HG12 ) 4.0 2.2 1.5 ! A.1436 at 6.59e+05
assign (resid 224 and name HD1# ) (resid 239 and name HG12 ) 4.0 2.2 1.5 ! A.1434 at 8.30e+05
assign (resid 224 and name HD1# ) (resid 239 and name HA ) 3.0 1.2 0.8 ! A.1417 at 2.40e+06
assign (resid 224 and name HG2# ) (resid 239 and name HD1# ) 3.0 1.2 1.3 ! A.1123 at 2.20e+06
assign (resid 224 and name HG2# ) (resid 239 and name HA ) 4.0 2.2 1.5 ! A.1129 at 6.58e+05
assign (resid 224 and name HD1# ) (resid 242 and name HB1 ) 4.0 2.2 1.5 ! A.1486 at -6.76e+05
assign (resid 224 and name HD1# ) (resid 242 and name HB2 ) 4.0 2.2 1.5 ! A.1489 at -8.29e+05
assign (resid 224 and name HD1# ) (resid 242 and name HD# ) 4.0 2.2 1.5 ! A.1142 at -5.50e+05
assign (resid 224 and name HG2# ) (resid 287 and name HG2# ) 2.5 0.7 1.2 ! A.508 at 6.33e+06
assign (resid 224 and name HB ) (resid 287 and name HG2# ) 4.0 2.2 1.5 ! A.2490 at -5.82e+05
assign (resid 224 and name HG2# ) (resid 291 and name HG2# ) 3.0 1.2 1.3 ! A.2612 at 3.26e+06
assign (resid 224 and name HD1# ) (resid 291 and name HG2# ) 3.0 1.2 1.3 ! A.2615 at 1.40e+06

! V25
assign (resid 225 and name HG1# ) (resid 226 and name HD1# ) 4.0 2.2 2.0 ! A.1197 at 7.62e+05
assign (resid 225 and name HG1# ) (resid 226 and name HD2# ) 3.0 1.2 1.3 ! A.1194 at 2.12e+06
assign (resid 225 and name HG1# ) (resid 226 and name HG ) 4.0 2.2 1.5 ! A.1160 at 6.48e+05
assign (resid 225 and name HG1# ) (resid 226 and name HA ) 4.0 2.2 1.5 ! A.93 at 1.20e+06
assign (resid 225 and name HA ) (resid 228 and name HB1 ) 4.0 2.2 1.0 ! A.1146 at -5.43e+05
assign (resid 225 and name HA ) (resid 228 and name HB2 ) 4.0 2.2 1.0 ! A.1147 at -5.57e+05
assign (resid 225 and name HG2# ) (resid 228 and name HB1 ) 4.0 2.2 2.5 ! A.1239 at -4.68e+05
assign (resid 225 and name HB ) (resid 263 and name HD2# ) 3.0 1.2 0.8 ! A.1152 at 1.54e+06
assign (resid 225 and name HG1# ) (resid 263 and name HD2# ) 3.0 1.2 1.3 ! A.1980 at 2.85e+06
assign (resid 225 and name HG2# ) (resid 263 and name HD2# ) 2.5 0.7 1.2 ! A.1981 at 4.60e+06
assign (resid 225 and name HG2# ) (resid 264 and name HE# ) 2.5 0.7 1.2 ! A.251 at 3.69e+06
assign (resid 225 and name HG1# ) (resid 264 and name HE# ) 2.5 0.7 1.2 ! A.94 at 3.80e+06
assign (resid 225 and name HA ) (resid 264 and name HE# ) 4.0 2.2 2.5 ! A.2021 at 4.24e+05
assign (resid 225 and name HG1# ) (resid 267 and name HE# ) 4.0 2.2 1.5 ! A.2417 at -1.18e+06
assign (resid 225 and name HG2# ) (resid 267 and name HE# ) 4.0 2.2 1.5 ! A.2422 at -5.48e+05
assign (resid 225 and name HG1# ) (resid 267 and name HZ ) 4.0 2.2 1.5 ! A.2429 at -9.91e+05
assign (resid 225 and name HG2# ) (resid 284 and name HD# ) 4.0 2.2 1.5 ! A.2380 at -7.75e+05
assign (resid 225 and name HG1# ) (resid 284 and name HD# ) 3.0 1.2 0.8 ! A.588 at -1.39e+06
assign (resid 225 and name HA ) (resid 284 and name HE# ) 4.0 2.2 1.0 ! A.1148 at -5.88e+05
assign (resid 225 and name HG2# ) (resid 284 and name HE# ) 4.0 2.2 1.5 ! A.1166 at -5.09e+05
assign (resid 225 and name HG1# ) (resid 284 and name HE# ) 3.0 1.2 0.8 ! A.90 at -1.44e+06
assign (resid 225 and name HG2# ) (resid 287 and name HB ) 4.0 2.2 1.5 ! A.444 at 1.18e+06
assign (resid 225 and name HA ) (resid 287 and name HG2# ) 3.0 1.2 0.8 ! A.1145 at 2.84e+06
assign (resid 225 and name HG1# ) (resid 287 and name HG2# ) 3.0 1.2 1.3 ! A.2487 at 1.45e+06
assign (resid 225 and name HG1# ) (resid 287 and name HB ) 4.0 2.2 2.5 ! A.1164 at 4.52e+05

! L26
assign (resid 226 and name HD2# ) (resid 226 and name HA ) 2.5 0.7 0.7 ! A.1178 at 1.11e+07
assign (resid 226 and name HD1# ) (resid 227 and name HG2 ) 4.0 2.2 1.5 ! A.1959 at -9.14e+05
assign (resid 226 and name HD1# ) (resid 267 and name HE# ) 4.0 2.2 1.5 ! A.2421 at -6.69e+05
assign (resid 226 and name HD1# ) (resid 267 and name HZ ) 4.0 2.2 1.5 ! A.2427 at -1.00e+06
assign (resid 226 and name HA ) (resid 267 and name HZ ) 4.0 2.2 2.0 ! A.2435 at -4.11e+05
assign (resid 226 and name HD2# ) (resid 267 and name HZ ) 3.0 1.2 0.8 ! A.2428 at -1.85e+06
assign (resid 226 and name HG ) (resid 267 and name HZ ) 4.0 2.2 1.0 ! A.2433 at -6.12e+05

! E27
assign (resid 227 and name HA ) (resid 227 and name HG2 ) 3.0 1.2 0.3 ! A.1474 at -3.31e+06
assign (resid 227 and name HG1 ) (resid 227 and name HA ) 3.0 1.2 0.3 ! A.1233 at -2.06e+06
assign (resid 227 and name HA ) (resid 230 and name HB1 ) 3.0 1.2 0.3 ! A.1272 at -1.47e+06
assign (resid 227 and name HA ) (resid 230 and name HB2 ) 3.0 1.2 0.3 ! A.1275 at -1.47e+06
assign (resid 227 and name HB1 ) (resid 233 and name HB# ) 3.0 1.2 0.8 ! A.1222 at 1.64e+06
assign (resid 227 and name HB2 ) (resid 233 and name HB# ) 3.0 1.2 0.8 ! A.1224 at 1.43e+06
assign (resid 227 and name HG1 ) (resid 233 and name HB# ) 3.0 1.2 0.8 ! A.1210 at -1.26e+06
assign (resid 227 and name HA ) (resid 233 and name HB# ) 3.0 1.2 0.8 ! A.1306 at 1.43e+06
assign (resid 227 and name HG2 ) (resid 233 and name HB# ) 3.0 1.2 0.8 ! A.1301 at -1.37e+06
assign (resid 227 and name HB2 ) (resid 235 and name HG2# ) 4.0 2.2 1.5 ! A.2758 at 6.01e+05
assign (resid 227 and name HB2 ) (resid 235 and name HG1# ) 3.0 1.2 0.8 ! A.1226 at 1.82e+06
assign (resid 227 and name HG1 ) (resid 235 and name HG1# ) 4.0 2.2 1.5 ! A.1357 at -8.53e+05
assign (resid 227 and name HG2 ) (resid 235 and name HG1# ) 4.0 2.2 1.5 ! A.1356 at -6.40e+05

! Y28
assign (resid 228 and name HB2 ) (resid 228 and name HD# ) 4.0 2.2 1.0 ! A.547 at 1.02e+06
assign (resid 228 and name HA ) (resid 228 and name HD# ) 3.0 1.2 0.3 ! A.1240 at -1.73e+06
assign (resid 228 and name HE# ) (resid 228 and name HA ) 4.0 2.2 2.0 ! A.1234 at -4.80e+05
assign (resid 228 and name HD# ) (resid 235 and name HB ) 4.0 2.2 1.0 ! A.1339 at -6.55e+05
assign (resid 228 and name HD# ) (resid 235 and name HG2# ) 3.0 1.2 0.8 ! A.552 at -1.41e+06
assign (resid 228 and name HD# ) (resid 235 and name HG1# ) 3.0 1.2 0.8 ! A.551 at -1.46e+06
assign (resid 228 and name HB1 ) (resid 235 and name HG1# ) 4.0 2.2 1.5 ! A.1365 at -5.92e+05
assign (resid 228 and name HB2 ) (resid 235 and name HG1# ) 4.0 2.2 1.5 ! A.1366 at -5.67e+05
assign (resid 228 and name HA ) (resid 235 and name HG1# ) 2.5 0.7 0.7 ! A.1360 at 3.73e+06
assign (resid 228 and name HE# ) (resid 235 and name HG1# ) 4.0 2.2 1.5 ! A.1354 at -7.36e+05
assign (resid 228 and name HA ) (resid 235 and name HG2# ) 2.5 0.7 0.7 ! A.410 at 3.95e+06
assign (resid 228 and name HA ) (resid 235 and name HB ) 4.0 2.2 1.0 ! A.412 at 1.17e+06
assign (resid 228 and name HE# ) (resid 235 and name HG2# ) 4.0 2.2 1.5 ! A.496 at -1.01e+06
assign (resid 228 and name HE# ) (resid 239 and name HD1# ) 3.0 1.2 0.8 ! A.1244 at -1.61e+06
assign (resid 228 and name HD# ) (resid 239 and name HD1# ) 4.0 2.2 1.5 ! A.1448 at -8.41e+05
assign (resid 228 and name HE# ) (resid 286 and name HD1# ) 4.0 2.2 1.5 ! A.464 at -6.78e+05
assign (resid 228 and name HE# ) (resid 286 and name HB2 ) 4.0 2.2 1.0 ! A.560 at 5.05e+05
assign (resid 228 and name HE# ) (resid 286 and name HB1 ) 4.0 2.2 1.0 ! A.1243 at 6.59e+05
assign (resid 228 and name HE# ) (resid 286 and name HD2# ) 4.0 2.2 1.5 ! A.1247 at -7.56e+05
assign (resid 228 and name HE# ) (resid 287 and name HA ) 4.0 2.2 1.0 ! A.269 at -1.06e+06
assign (resid 228 and name HB2 ) (resid 287 and name HG2# ) 4.0 2.2 1.5 ! A.2489 at -5.99e+05
assign (resid 228 and name HE# ) (resid 287 and name HG2# ) 3.0 1.2 0.8 ! A.505 at -1.38e+06
assign (resid 228 and name HD# ) (resid 287 and name HG2# ) 3.0 1.2 0.8 ! A.504 at -1.56e+06
assign (resid 228 and name HB1 ) (resid 287 and name HG2# ) 4.0 2.2 1.5 ! A.2488 at -6.78e+05
assign (resid 228 and name HE# ) (resid 290 and name HB# ) 4.0 2.2 1.5 ! A.2583 at 7.54e+05

! F29
assign (resid 229 and name HD# ) (resid 229 and name HA ) 3.0 1.2 0.3 ! A.340 at -2.06e+06
assign (resid 229 and name HE# ) (resid 286 and name HD1# ) 4.0 2.2 1.5 ! A.1264 at -6.50e+05
assign (resid 229 and name HZ ) (resid 286 and name HD1# ) 3.0 1.2 0.8 ! A.2464 at -1.49e+06

! N30
assign (resid 230 and name HA ) (resid 231 and name HA ) 4.0 2.2 1.0 ! A.1269 at -7.30e+05
assign (resid 230 and name HA ) (resid 231 and name HG2# ) 4.0 2.2 1.5 ! A.1270 at -1.00e+06
assign (resid 230 and name HA ) (resid 233 and name HB# ) 4.0 2.2 1.5 ! A.1271 at -9.41e+05
assign (resid 230 and name HB1 ) (resid 233 and name HB# ) 3.0 1.2 0.8 ! A.1299 at -3.16e+06
assign (resid 230 and name HB2 ) (resid 233 and name HB# ) 3.0 1.2 0.8 ! A.1300 at -2.40e+06
assign (resid 230 and name HB2 ) (resid 233 and name HA ) 4.0 2.2 1.0 ! A.1276 at 5.46e+05

! T31
assign (resid 231 and name HG2# ) (resid 232 and name HB2 ) 4.0 2.2 1.5 ! A.1291 at -5.04e+05

! D32

! A33
assign (resid 233 and name HA ) (resid 234 and name HG1 ) 4.0 2.2 1.0 ! A.1295 at -7.34e+05
assign (resid 233 and name HB# ) (resid 234 and name HA ) 4.0 2.2 1.5 ! A.1311 at 8.14e+05
assign (resid 233 and name HB# ) (resid 235 and name HB ) 4.0 2.2 1.5 ! A.1338 at 1.25e+06
assign (resid 233 and name HB# ) (resid 235 and name HA ) 4.0 2.2 1.5 ! A.1335 at 5.03e+05
assign (resid 233 and name HB# ) (resid 235 and name HG1# ) 3.0 1.2 1.3 ! A.1352 at 2.85e+06

! K34
assign (resid 234 and name HE# ) (resid 234 and name HB1 ) 3.0 1.2 0.8 ! A.1329 at -1.50e+06
assign (resid 234 and name HD# ) (resid 234 and name HA ) 3.0 1.2 0.8 ! A.1314 at 2.66e+06
assign (resid 234 and name HD# ) (resid 237 and name HG# ) 4.0 2.2 2.0 ! A.1330 at -7.96e+05
assign (resid 234 and name HG1 ) (resid 237 and name HG# ) 4.0 2.2 2.5 ! A.1324 at -4.14e+05
assign (resid 234 and name HG2 ) (resid 237 and name HG# ) 4.0 2.2 1.5 ! A.1325 at -5.06e+05
assign (resid 234 and name HE# ) (resid 237 and name HA ) 4.0 2.2 1.5 ! A.2101 at -1.97e+06 (widened1)
assign (resid 234 and name HA ) (resid 237 and name HG# ) 4.0 2.2 1.5 ! A.1312 at -1.00e+06

! V35
assign (resid 235 and name HG2# ) (resid 236 and name HA ) 4.0 2.2 1.5 ! A.1343 at 1.26e+06
assign (resid 235 and name HG2# ) (resid 236 and name HB1 ) 4.0 2.2 1.5 ! A.1345 at -6.71e+05
assign (resid 235 and name HG2# ) (resid 236 and name HB2 ) 4.0 2.2 1.5 ! A.1375 at -8.98e+05
assign (resid 235 and name HA ) (resid 238 and name HB1 ) 3.0 1.2 0.3 ! A.25 at 1.42e+06
assign (resid 235 and name HA ) (resid 238 and name HG# ) 3.0 1.2 0.8 ! A.1406 at 1.41e+06
assign (resid 235 and name HG2# ) (resid 238 and name HD2 ) 4.0 2.2 2.5 ! A.1402 at -4.36e+05
assign (resid 235 and name HG1# ) (resid 239 and name HG11 ) 3.0 1.2 0.8 ! A.2814 at 1.78e+06
assign (resid 235 and name HG1# ) (resid 239 and name HD1# ) 3.0 1.2 1.3 ! A.1350 at 2.65e+06
assign (resid 235 and name HG2# ) (resid 239 and name HG11 ) 4.0 2.2 1.5 ! A.1348 at 1.09e+06
assign (resid 235 and name HG2# ) (resid 239 and name HD1# ) 3.0 1.2 1.3 ! A.1346 at 4.24e+06

! N36
assign (resid 236 and name HA ) (resid 239 and name HB ) 3.0 1.2 0.3 ! A.1426 at -2.31e+06
assign (resid 236 and name HA ) (resid 239 and name HG2# ) 3.0 1.2 0.8 ! A.335 at 1.40e+06
assign (resid 236 and name HB2 ) (resid 239 and name HD1# ) 4.0 2.2 1.5 ! A.1374 at -6.27e+05
assign (resid 236 and name HA ) (resid 239 and name HD1# ) 3.0 1.2 0.8 ! A.1368 at 2.74e+06
assign (resid 236 and name HB1 ) (resid 239 and name HD1# ) 4.0 2.2 1.5 ! A.1445 at -8.29e+05

! E37
assign (resid 237 and name HG# ) (resid 237 and name HA ) 2.5 0.7 0.7 ! A.1377 at -6.31e+06
assign (resid 237 and name HA ) (resid 240 and name HB1 ) 2.5 0.7 0.2 ! A.762 at -3.41e+06
assign (resid 237 and name HA ) (resid 240 and name HB2 ) 3.0 1.2 0.3 ! A.1457 at -3.14e+06

! R38
assign (resid 238 and name HA ) (resid 238 and name HD1 ) 3.0 1.2 0.3 ! A.965 at -2.61e+06
assign (resid 238 and name HA ) (resid 238 and name HD2 ) 3.0 1.2 0.3 ! A.1400 at -1.85e+06
assign (resid 238 and name HG# ) (resid 238 and name HA ) 3.0 1.2 0.8 ! A.1392 at 3.17e+06

! I39
assign (resid 239 and name HG2# ) (resid 239 and name HA ) 3.0 1.2 0.8 ! A.1416 at 2.50e+06
assign (resid 239 and name HG11 ) (resid 239 and name HA ) 4.0 2.2 1.0 ! A.1421 at 1.02e+06
assign (resid 239 and name HG12 ) (resid 239 and name HA ) 4.0 2.2 1.0 ! A.1422 at 9.01e+05
assign (resid 239 and name HD1# ) (resid 239 and name HA ) 3.0 1.2 0.8 ! A.1418 at 1.65e+06
assign (resid 239 and name HG2# ) (resid 240 and name HA ) 4.0 2.2 1.5 ! A.237 at 1.19e+06
assign (resid 239 and name HG2# ) (resid 240 and name HB1 ) 4.0 2.2 2.5 ! A.1439 at -5.80e+05
assign (resid 239 and name HA ) (resid 242 and name HB1 ) 4.0 2.2 1.0 ! A.1424 at -6.24e+05
assign (resid 239 and name HA ) (resid 242 and name HB2 ) 4.0 2.2 1.0 ! A.1423 at -5.65e+05
assign (resid 239 and name HG2# ) (resid 243 and name HG2# ) 2.5 0.7 1.2 ! A.1509 at 3.63e+06
assign (resid 239 and name HG2# ) (resid 243 and name HG1# ) 4.0 2.2 2.0 ! A.1522 at 1.22e+06
assign (resid 239 and name HG2# ) (resid 291 and name HA ) 3.0 1.2 0.8 ! A.274 at 2.34e+06
assign (resid 239 and name HD1# ) (resid 291 and name HA ) 4.0 2.2 1.5 ! A.442 at 8.96e+05
assign (resid 239 and name HG12 ) (resid 291 and name HG2# ) 4.0 2.2 1.5 ! A.2610 at 8.15e+05
assign (resid 239 and name HG11 ) (resid 291 and name HG2# ) 4.0 2.2 1.5 ! A.2611 at 6.90e+05
assign (resid 239 and name HG2# ) (resid 291 and name HG2# ) 3.0 1.2 1.3 ! A.2613 at 2.31e+06
assign (resid 239 and name HD1# ) (resid 291 and name HG1# ) 4.0 2.2 2.0 ! A.2604 at 1.13e+06
assign (resid 239 and name HG2# ) (resid 291 and name HG1# ) 4.0 2.2 2.0 ! A.2602 at 7.97e+05
assign (resid 239 and name HD1# ) (resid 291 and name HG2# ) 3.0 1.2 1.3 ! A.1450 at 3.14e+06
assign (resid 239 and name HG2# ) (resid 294 and name HB# ) 3.0 1.2 1.3 ! A.241 at 1.57e+06

! D40
assign (resid 240 and name HA ) (resid 243 and name HB ) 3.0 1.2 0.3 ! A.1538 at 2.06e+06
assign (resid 240 and name HA ) (resid 243 and name HG2# ) 3.0 1.2 0.8 ! A.1505 at 3.09e+06
assign (resid 240 and name HA ) (resid 243 and name HG1# ) 4.0 2.2 1.5 ! A.1527 at 1.12e+06
assign (resid 240 and name HB2 ) (resid 243 and name HG2# ) 4.0 2.2 1.5 ! A.1458 at -5.24e+05

! E41
assign (resid 241 and name HA ) (resid 244 and name HB2 ) 3.0 1.2 0.3 ! A.31 at 2.35e+06
assign (resid 241 and name HG2 ) (resid 245 and name HE# ) 3.0 1.2 0.8 ! A.782 at 1.62e+06
assign (resid 241 and name HG1 ) (resid 245 and name HE# ) 3.0 1.2 0.8 ! A.783 at 1.91e+06

! F42
assign (resid 242 and name HD# ) (resid 242 and name HA ) 4.0 2.2 1.0 ! A.401 at -5.87e+05
assign (resid 242 and name HD# ) (resid 243 and name HG2# ) 4.0 2.2 1.5 ! A.569 at -6.81e+05
assign (resid 242 and name HD# ) (resid 243 and name HG1# ) 4.0 2.2 1.5 ! A.1496 at -8.29e+05
assign (resid 242 and name HA ) (resid 245 and name HB1 ) 4.0 2.2 2.0 ! A.32 at -4.97e+05
assign (resid 242 and name HZ ) (resid 256 and name HG2# ) 3.0 1.2 0.8 ! A.2410 at -1.61e+06
assign (resid 242 and name HZ ) (resid 256 and name HG1# ) 4.0 2.2 1.5 ! A.2411 at -1.04e+06
assign (resid 242 and name HZ ) (resid 259 and name HG2# ) 4.0 2.2 1.5 ! A.2560 at -6.51e+05
assign (resid 242 and name HD# ) (resid 291 and name HG1# ) 4.0 2.2 1.5 ! A.1495 at -9.45e+05
assign (resid 242 and name HE# ) (resid 291 and name HG1# ) 4.0 2.2 1.5 ! A.2407 at -7.76e+05
assign (resid 242 and name HZ ) (resid 291 and name HG1# ) 4.0 2.2 1.5 ! A.2595 at -5.79e+05

! V43
assign (resid 243 and name HG2# ) (resid 244 and name HA ) 4.0 2.2 1.5 ! A.1514 at 6.31e+05
assign (resid 243 and name HA ) (resid 246 and name HB# ) 3.0 1.2 0.8 ! A.33 at 2.83e+06
assign (resid 243 and name HG2# ) (resid 246 and name HB# ) 4.0 2.2 2.0 ! A.1510 at 8.86e+05
assign (resid 243 and name HG2# ) (resid 291 and name HA ) 4.0 2.2 1.5 ! A.276 at 8.91e+05
assign (resid 243 and name HG2# ) (resid 291 and name HG1# ) 3.0 1.2 1.3 ! A.2601 at 1.46e+06
assign (resid 243 and name HG1# ) (resid 294 and name HB# ) 4.0 2.2 2.0 ! A.1531 at 9.15e+05
assign (resid 243 and name HG2# ) (resid 294 and name HB# ) 3.0 1.2 1.3 ! A.1530 at 1.86e+06
assign (resid 243 and name HG2# ) (resid 294 and name HA ) 4.0 2.2 1.5 ! A.1506 at 6.99e+05
assign (resid 243 and name HG1# ) (resid 294 and name HA ) 4.0 2.2 1.5 ! A.1521 at 5.96e+05
assign (resid 243 and name HB ) (resid 295 and name HA ) 4.0 2.2 1.0 ! A.1542 at 7.36e+05
assign (resid 243 and name HG2# ) (resid 295 and name HA ) 3.0 1.2 0.8 ! A.1507 at 1.56e+06
assign (resid 243 and name HG1# ) (resid 298 and name HE# ) 2.5 0.7 1.2 ! A.2780 at 3.75e+06
assign (resid 243 and name HG2# ) (resid 298 and name HE# ) 3.0 1.2 1.3 ! A.2782 at 1.85e+06

! S44
assign (resid 244 and name HA ) (resid 247 and name HB# ) 4.0 2.2 1.5 ! A.671 at -9.18e+05
assign (resid 244 and name HA ) (resid 248 and name HD# ) 4.0 2.2 1.0 ! A.1635 at -5.32e+05
assign (resid 244 and name HB1 ) (resid 298 and name HE# ) 3.0 1.2 0.8 ! A.2092 at 1.82e+06

! K45
assign (resid 245 and name HA ) (resid 245 and name HD1 ) 4.0 2.2 1.0 ! A.1584 at 6.75e+05
assign (resid 245 and name HA ) (resid 245 and name HD2 ) 4.0 2.2 1.0 ! A.1587 at 6.61e+05
assign (resid 245 and name HA ) (resid 245 and name HG2 ) 3.0 1.2 0.3 ! A.1592 at 2.28e+06
assign (resid 245 and name HG1 ) (resid 245 and name HA ) 3.0 1.2 0.3 ! A.1559 at 1.94e+06
assign (resid 245 and name HE# ) (resid 245 and name HB2 ) 4.0 2.2 1.5 ! A.1565 at 1.18e+06
assign (resid 245 and name HE# ) (resid 245 and name HB1 ) 3.0 1.2 0.8 ! A.1577 at 1.55e+06
assign (resid 245 and name HA ) (resid 248 and name HB# ) 3.0 1.2 0.8 ! A.37 at -2.24e+06

! A46
assign (resid 246 and name HB# ) (resid 247 and name HA ) 4.0 2.2 1.5 ! A.1613 at 6.06e+05
assign (resid 246 and name HA ) (resid 249 and name HB# ) 3.0 1.2 0.8 ! A.1648 at 2.77e+06
assign (resid 246 and name HB# ) (resid 249 and name HB# ) 4.0 2.2 2.0 ! A.1651 at 1.00e+06
assign (resid 246 and name HB# ) (resid 251 and name HD1# ) 3.0 1.2 1.3 ! A.142 at -3.11e+06
assign (resid 246 and name HA ) (resid 251 and name HD1# ) 3.0 1.2 0.8 ! A.139 at -1.50e+06
assign (resid 246 and name HA ) (resid 251 and name HG11 ) 4.0 2.2 1.0 ! A.1593 at 1.03e+06
assign (resid 246 and name HB# ) (resid 251 and name HG11 ) 4.0 2.2 1.5 ! A.1688 at 8.10e+05
assign (resid 246 and name HA ) (resid 251 and name HG12 ) 4.0 2.2 1.0 ! A.1694 at 8.51e+05
assign (resid 246 and name HB# ) (resid 251 and name HG12 ) 4.0 2.2 1.5 ! A.1693 at 9.45e+05
assign (resid 246 and name HB# ) (resid 251 and name HB ) 3.0 1.2 0.8 ! A.201 at -2.39e+06
assign (resid 246 and name HB# ) (resid 251 and name HA ) 4.0 2.2 1.5 ! A.1674 at 5.81e+05
assign (resid 246 and name HA ) (resid 251 and name HG2# ) 4.0 2.2 1.5 ! A.1700 at 8.88e+05
assign (resid 246 and name HA ) (resid 251 and name HB ) 4.0 2.2 1.0 ! A.1685 at -9.28e+05
assign (resid 246 and name HB# ) (resid 256 and name HG2# ) 3.0 1.2 1.3 ! A.1611 at 2.03e+06
assign (resid 246 and name HB# ) (resid 295 and name HD2# ) 3.0 1.2 1.3 ! A.2705 at 2.72e+06
assign (resid 246 and name HB# ) (resid 295 and name HD1# ) 2.5 0.7 1.2 ! A.2720 at 4.78e+06

! F47
assign (resid 247 and name HA ) (resid 247 and name HD# ) 4.0 2.2 1.0 ! A.1620 at -1.05e+06
assign (resid 247 and name HD# ) (resid 248 and name HA ) 4.0 2.2 1.0 ! A.382 at -6.10e+05
assign (resid 247 and name HD# ) (resid 295 and name HD1# ) 4.0 2.2 1.5 ! A.1621 at -5.87e+05
assign (resid 247 and name HA ) (resid 295 and name HD1# ) 3.0 1.2 0.8 ! A.2717 at 1.76e+06
assign (resid 247 and name HB# ) (resid 295 and name HD2# ) 4.0 2.2 2.0 ! A.2719 at -1.17e+06
assign (resid 247 and name HD# ) (resid 298 and name HE# ) 4.0 2.2 1.5 ! A.578 at -6.29e+05
assign (resid 247 and name HE# ) (resid 298 and name HE# ) 4.0 2.2 1.5 ! A.2415 at -5.48e+05
assign (resid 247 and name HA ) (resid 298 and name HE# ) 4.0 2.2 1.5 ! A.1614 at 5.20e+05
assign (resid 247 and name HB# ) (resid 298 and name HE# ) 4.0 2.2 2.0 ! A.2779 at -1.16e+06
assign (resid 247 and name HD# ) (resid 299 and name HE# ) 4.0 2.2 1.0 ! A.283 at 5.92e+05
assign (resid 247 and name HA ) (resid 299 and name HE# ) 4.0 2.2 1.0 ! A.383 at -9.42e+05

! F48
assign (resid 248 and name HD# ) (resid 248 and name HA ) 3.0 1.2 0.3 ! A.381 at -1.71e+06
assign (resid 248 and name HD# ) (resid 248 and name HB# ) 3.0 1.2 0.8 ! A.2900 at 2.22e+06
assign (resid 248 and name HA ) (resid 249 and name HB# ) 4.0 2.2 1.5 ! A.1626 at 1.14e+06
assign (resid 248 and name HB# ) (resid 249 and name HB# ) 4.0 2.2 2.0 ! A.1654 at -5.30e+05

! A49
assign (resid 249 and name HB# ) (resid 251 and name HD1# ) 3.0 1.2 1.3 ! A.1713 at -3.33e+06
assign (resid 249 and name HB# ) (resid 251 and name HG12 ) 3.0 1.2 0.8 ! A.1646 at 1.31e+06
assign (resid 249 and name HB# ) (resid 251 and name HG2# ) 2.5 0.7 1.2 ! A.1644 at 3.94e+06
assign (resid 249 and name HB# ) (resid 251 and name HG11 ) 3.0 1.2 0.8 ! A.1647 at 1.56e+06
assign (resid 249 and name HB# ) (resid 251 and name HB ) 4.0 2.2 1.5 ! A.1653 at -9.57e+05
assign (resid 249 and name HB# ) (resid 251 and name HA ) 4.0 2.2 1.5 ! A.1681 at 5.92e+05

! D50
assign (resid 250 and name HA ) (resid 299 and name HE# ) 4.0 2.2 2.0 ! A.1656 at -5.20e+05

! I51
assign (resid 251 and name HA ) (resid 251 and name HD1# ) 2.5 0.7 0.7 ! A.1711 at -5.34e+06
assign (resid 251 and name HG2# ) (resid 251 and name HA ) 2.5 0.7 0.7 ! A.1668 at 5.84e+06
assign (resid 251 and name HD1# ) (resid 251 and name HB ) 3.0 1.2 0.8 ! A.1678 at 2.30e+06
assign (resid 251 and name HG2# ) (resid 252 and name HA ) 4.0 2.2 1.5 ! A.1710 at 6.53e+05
assign (resid 251 and name HD1# ) (resid 255 and name HB1 ) 4.0 2.2 1.5 ! A.1721 at -8.58e+05
assign (resid 251 and name HD1# ) (resid 255 and name HG# ) 4.0 2.2 2.0 ! A.154 at 1.10e+06
assign (resid 251 and name HD1# ) (resid 255 and name HB2 ) 4.0 2.2 1.5 ! A.147 at -9.71e+05
assign (resid 251 and name HG2# ) (resid 255 and name HB2 ) 3.0 1.2 0.8 ! A.1773 at 1.86e+06
assign (resid 251 and name HB ) (resid 255 and name HB2 ) 4.0 2.2 1.0 ! A.1777 at -6.28e+05
assign (resid 251 and name HG2# ) (resid 255 and name HG# ) 3.0 1.2 1.3 ! A.231 at -1.83e+06
assign (resid 251 and name HG2# ) (resid 255 and name HB1 ) 3.0 1.2 0.8 ! A.1707 at 1.95e+06
assign (resid 251 and name HD1# ) (resid 256 and name HG2# ) 2.5 0.7 1.2 ! A.1715 at -3.44e+06
assign (resid 251 and name HG2# ) (resid 256 and name HG2# ) 2.5 0.7 1.2 ! A.1817 at 4.09e+06
assign (resid 251 and name HG2# ) (resid 295 and name HD2# ) 4.0 2.2 2.0 ! A.2706 at 8.95e+05

! S52
assign (resid 252 and name HA ) (resid 253 and name HG2# ) 4.0 2.2 1.5 ! A.1725 at 6.57e+05
assign (resid 252 and name HB1 ) (resid 255 and name HG# ) 4.0 2.2 1.5 ! A.1728 at -6.21e+05
assign (resid 252 and name HB2 ) (resid 255 and name HG# ) 4.0 2.2 1.5 ! A.1733 at -8.94e+05

! V53
assign (resid 253 and name HG1# ) (resid 254 and name HB# ) 4.0 2.2 2.0 ! A.1757 at 1.02e+06
assign (resid 253 and name HG1# ) (resid 254 and name HA ) 4.0 2.2 1.5 ! A.1758 at 5.17e+05
assign (resid 253 and name HA ) (resid 256 and name HG1# ) 4.0 2.2 1.5 ! A.1740 at 1.12e+06
assign (resid 253 and name HG1# ) (resid 257 and name HG ) 3.0 1.2 0.8 ! A.2632 at 1.69e+06
assign (resid 253 and name HG1# ) (resid 257 and name HD1# ) 2.5 0.7 1.2 ! A.494 at 4.78e+06
assign (resid 253 and name HG2# ) (resid 292 and name HA ) 4.0 2.2 1.5 ! A.2620 at 5.42e+05
assign (resid 253 and name HG2# ) (resid 292 and name HD1# ) 3.0 1.2 1.3 ! A.1748 at 2.34e+06
assign (resid 253 and name HG2# ) (resid 292 and name HB ) 4.0 2.2 1.5 ! A.1752 at -1.17e+06
assign (resid 253 and name HG1# ) (resid 292 and name HG2# ) 3.0 1.2 1.3 ! A.1754 at 3.23e+06
assign (resid 253 and name HG2# ) (resid 292 and name HG2# ) 2.5 0.7 1.2 ! A.214 at 3.85e+06
assign (resid 253 and name HA ) (resid 292 and name HG2# ) 4.0 2.2 1.5 ! A.2641 at 5.23e+05
assign (resid 253 and name HB ) (resid 292 and name HD1# ) 4.0 2.2 1.5 ! A.2657 at 5.70e+05
assign (resid 256 and name HG1# ) (resid 292 and name HD1# )  3.0  1.2  1.3 ! A.2574 at 3.11e+06
assign (resid 253 and name HG2# ) (resid 295 and name HD2# ) 3.0 1.2 1.3 ! A.2710 at 2.04e+06
assign (resid 253 and name HG2# ) (resid 299 and name HD# ) 4.0 2.2 1.5 ! A.612 at -7.97e+05
assign (resid 253 and name HG2# ) (resid 299 and name HE# ) 3.0 1.2 0.8 ! A.457 at -2.19e+06

! S54
assign (resid 254 and name HA ) (resid 255 and name HG# ) 4.0 2.2 1.5 ! A.394 at -6.24e+05
assign (resid 254 and name HA ) (resid 255 and name HA ) 4.0 2.2 1.0 ! A.1767 at 6.34e+05
assign (resid 254 and name HB# ) (resid 257 and name HG ) 4.0 2.2 1.5 ! A.1830 at 1.15e+06
assign (resid 254 and name HB# ) (resid 257 and name HD1# ) 2.5 0.7 1.2 ! A.1833 at 3.70e+06
assign (resid 254 and name HA ) (resid 257 and name HD1# ) 3.0 1.2 0.8 ! A.1834 at 1.65e+06
assign (resid 254 and name HB# ) (resid 257 and name HB2 ) 3.0 1.2 0.8 ! A.1763 at -1.58e+06
assign (resid 254 and name HA ) (resid 257 and name HB1 ) 4.0 2.2 1.0 ! A.40 at -6.44e+05
assign (resid 254 and name HA ) (resid 257 and name HB2 ) 4.0 2.2 1.0 ! A.39 at -9.38e+05

! Q55
assign (resid 255 and name HG# ) (resid 255 and name HA ) 2.5 0.7 0.7 ! A.1769 at -5.64e+06
assign (resid 255 and name HB2 ) (resid 256 and name HG2# ) 4.0 2.2 1.5 ! A.1776 at 5.94e+05

! V56
assign (resid 256 and name HG1# ) (resid 256 and name HA ) 2.5 0.7 0.7 ! A.1791 at 3.97e+06
assign (resid 256 and name HG2# ) (resid 256 and name HA ) 2.5 0.7 0.7 ! A.1790 at 4.57e+06
assign (resid 256 and name HG1# ) (resid 257 and name HG ) 4.0 2.2 1.5 ! A.1806 at 5.54e+05
assign (resid 256 and name HG1# ) (resid 257 and name HA ) 4.0 2.2 1.5 ! A.1810 at 6.47e+05
assign (resid 256 and name HA ) (resid 259 and name HG11 ) 4.0 2.2 1.0 ! A.1876 at 5.50e+05
assign (resid 256 and name HA ) (resid 259 and name HG2# ) 4.0 2.2 1.5 ! A.1794 at 9.34e+05
assign (resid 256 and name HA ) (resid 259 and name HD1# ) 3.0 1.2 0.8 ! A.1789 at 2.31e+06
assign (resid 256 and name HA ) (resid 259 and name HB ) 3.0 1.2 0.3 ! A.41 at -1.33e+06
assign (resid 256 and name HA ) (resid 259 and name HG12 ) 4.0 2.2 1.0 ! A.1795 at 5.75e+05
assign (resid 256 and name HG1# ) (resid 288 and name HD1# ) 4.0 2.2 2.0 ! A.1808 at 5.53e+05
assign (resid 256 and name HB ) (resid 292 and name HG2# ) 4.0 2.2 1.5 ! A.1799 at 7.81e+05
assign (resid 256 and name HG1# ) (resid 292 and name HG2# ) 3.0 1.2 1.3 ! A.1807 at 2.40e+06
assign (resid 256 and name HG2# ) (resid 292 and name HG2# )  3.0  1.2  1.3 ! A.2913 at 2.23e+06
assign (resid 256 and name HB ) (resid 295 and name HD2# ) 4.0 2.2 1.5 ! A.1800 at 6.92e+05

! L57
assign (resid 257 and name HD2# ) (resid 257 and name HA ) 2.5 0.7 0.7 ! A.1822 at 4.82e+06
assign (resid 257 and name HG ) (resid 257 and name HA ) 3.0 1.2 0.3 ! A.1824 at 1.84e+06
assign (resid 257 and name HA ) (resid 260 and name HB1 ) 3.0 1.2 0.3 ! A.1908 at 1.28e+06
assign (resid 257 and name HD2# ) (resid 260 and name HB1 ) 4.0 2.2 1.5 ! A.1911 at 5.27e+05
assign (resid 257 and name HA ) (resid 260 and name HB2 ) 4.0 2.2 1.0 ! A.1913 at 1.08e+06
assign (resid 257 and name HD2# ) (resid 260 and name HB2 ) 4.0 2.2 2.5 ! A.1915 at 4.98e+05
assign (resid 257 and name HD2# ) (resid 260 and name HD2 ) 4.0 2.2 1.5 ! A.1924 at -5.07e+05
assign (resid 257 and name HA ) (resid 261 and name HG2# ) 4.0 2.2 1.5 ! A.353 at 7.45e+05
assign (resid 257 and name HG ) (resid 288 and name HD2# ) 4.0 2.2 1.5 ! A.2630 at 1.12e+06
assign (resid 257 and name HD2# ) (resid 288 and name HD1# ) 2.5 0.7 1.2 ! A.115 at 5.04e+06
assign (resid 257 and name HA ) (resid 288 and name HD1# ) 3.0 1.2 0.8 ! A.108 at 1.26e+06
assign (resid 257 and name HG ) (resid 288 and name HD1# ) 4.0 2.2 1.5 ! A.2540 at 7.27e+05
assign (resid 257 and name HA ) (resid 288 and name HD2# ) 3.0 1.2 0.8 ! A.2516 at 1.70e+06
assign (resid 257 and name HB1 ) (resid 288 and name HD1# ) 4.0 2.2 1.5 ! A.1828 at -5.67e+05

! E58
assign (resid 258 and name HG2 ) (resid 258 and name HA ) 3.0 1.2 0.3 ! A.1848 at -2.81e+06
assign (resid 258 and name HG1 ) (resid 258 and name HA ) 3.0 1.2 0.3 ! A.1849 at -2.15e+06
assign (resid 258 and name HA ) (resid 261 and name HB ) 3.0 1.2 0.3 ! A.45 at 3.06e+06
assign (resid 258 and name HA ) (resid 261 and name HG2# ) 2.5 0.7 0.7 ! A.472 at 3.84e+06
assign (resid 258 and name HA ) (resid 261 and name HG1# ) 3.0 1.2 0.8 ! A.1938 at 1.70e+06

! I59
assign (resid 259 and name HG2# ) (resid 259 and name HA ) 2.5 0.7 0.7 ! A.1857 at 3.93e+06
assign (resid 259 and name HG12 ) (resid 259 and name HA ) 3.0 1.2 0.3 ! A.1861 at 1.59e+06
assign (resid 259 and name HD1# ) (resid 259 and name HA ) 3.0 1.2 0.8 ! A.1855 at 2.06e+06
assign (resid 259 and name HA ) (resid 262 and name HB1 ) 3.0 1.2 0.3 ! A.47 at 1.46e+06
assign (resid 259 and name HA ) (resid 262 and name HB2 ) 3.0 1.2 0.3 ! A.48 at 1.33e+06
assign (resid 259 and name HA ) (resid 262 and name HG2 ) 4.0 2.2 1.0 ! A.1859 at -7.53e+05
assign (resid 259 and name HA ) (resid 262 and name HG1 ) 4.0 2.2 2.0 ! A.1860 at -5.00e+05

! H60
assign (resid 260 and name HD2 ) (resid 260 and name HB1 ) 4.0 2.2 1.0 ! A.1920 at -5.97e+05
assign (resid 260 and name HD2 ) (resid 260 and name HB2 ) 4.0 2.2 1.0 ! A.1919 at -6.44e+05
assign (resid 260 and name HB2 ) (resid 261 and name HG2# ) 4.0 2.2 1.5 ! A.1917 at 6.18e+05
assign (resid 260 and name HD2 ) (resid 261 and name HA ) 4.0 2.2 1.0 ! A.1928 at -1.22e+06
assign (resid 260 and name HD2 ) (resid 261 and name HG2# ) 3.0 1.2 0.8 ! A.470 at -2.58e+06
assign (resid 260 and name HD2 ) (resid 261 and name HG1# ) 4.0 2.2 1.5 ! A.486 at -1.03e+06
assign (resid 260 and name HA ) (resid 263 and name HB# ) 3.0 1.2 0.8 ! A.1906 at -1.53e+06
assign (resid 260 and name HA ) (resid 264 and name HE# ) 4.0 2.2 1.5 ! A.2022 at 6.58e+05
assign (resid 260 and name HE1 ) (resid 264 and name HE# ) 3.0 1.2 0.8 ! A.2029 at 1.38e+06
assign (resid 260 and name HE1 ) (resid 284 and name HB1 ) 4.0 2.2 1.0 ! A.2028 at -6.41e+05
assign (resid 260 and name HE1 ) (resid 287 and name HB ) 4.0 2.2 2.0 ! A.2480 at 4.64e+05
assign (resid 260 and name HB1 ) (resid 288 and name HD1# ) 4.0 2.2 1.5 ! A.1912 at 6.15e+05
assign (resid 260 and name HB1 ) (resid 288 and name HD2# ) 3.0 1.2 0.8 ! A.1910 at 1.27e+06
assign (resid 260 and name HB2 ) (resid 288 and name HD2# ) 3.0 1.2 0.8 ! A.1914 at 1.41e+06
assign (resid 260 and name HB2 ) (resid 288 and name HD1# ) 4.0 2.2 1.5 ! A.1916 at 6.14e+05
assign (resid 260 and name HD2 ) (resid 288 and name HD1# ) 4.0 2.2 1.5 ! A.112 at -1.02e+06
assign (resid 260 and name HA ) (resid 288 and name HD2# ) 4.0 2.2 1.5 ! A.2525 at 6.14e+05

! V61
assign (resid 261 and name HG1# ) (resid 261 and name HA ) 2.5 0.7 0.7 ! A.1930 at 5.00e+06
assign (resid 261 and name HG2# ) (resid 261 and name HA ) 2.5 0.7 0.7 ! A.1929 at 6.26e+06
assign (resid 261 and name HG1# ) (resid 262 and name HB1 ) 4.0 2.2 1.5 ! A.1953 at 6.89e+05
assign (resid 261 and name HG2# ) (resid 262 and name HB1 ) 4.0 2.2 1.5 ! A.1850 at 6.20e+05
assign (resid 261 and name HG1# ) (resid 262 and name HG2 ) 4.0 2.2 2.5 ! A.1942 at -4.73e+05
assign (resid 261 and name HG1# ) (resid 262 and name HG1 ) 4.0 2.2 2.5 ! A.1941 at -6.25e+05 (widened1)
assign (resid 261 and name HG1# ) (resid 262 and name HA ) 3.0 1.2 0.8 ! A.1939 at 1.83e+06
assign (resid 261 and name HA ) (resid 264 and name HB2 ) 4.0 2.2 1.0 ! A.1999 at 7.60e+05
assign (resid 261 and name HA ) (resid 264 and name HE# ) 4.0 2.2 1.5 ! A.2020 at 5.21e+05
assign (resid 261 and name HG1# ) (resid 265 and name HB2 ) 3.0 1.2 0.8 ! A.1940 at -1.41e+06
assign (resid 261 and name HG1# ) (resid 265 and name HB1 ) 4.0 2.2 1.5 ! A.2035 at -7.87e+05

! E62
assign (resid 262 and name HG1 ) (resid 262 and name HA ) 2.5 0.7 0.2 ! A.1946 at -4.29e+06
assign (resid 262 and name HG2 ) (resid 262 and name HA ) 2.5 0.7 0.2 ! A.1945 at -4.64e+06
assign (resid 262 and name HA ) (resid 265 and name HB2 ) 3.0 1.2 0.3 ! A.52 at -4.61e+06 (widened1)
assign (resid 262 and name HA ) (resid 265 and name HB1 ) 2.5 0.7 0.2 ! A.2032 at -3.60e+06

! L63
assign (resid 263 and name HG ) (resid 263 and name HA ) 4.0 2.2 1.0 ! A.1960 at 6.81e+05
assign (resid 263 and name HG ) (resid 264 and name HE# ) 3.0 1.2 0.8 ! A.1977 at 1.42e+06
assign (resid 263 and name HD2# ) (resid 264 and name HE# ) 2.5 0.7 1.2 ! A.2014 at 4.72e+06
assign (resid 263 and name HA ) (resid 264 and name HE# ) 4.0 2.2 1.5 ! A.2018 at 6.29e+05
assign (resid 263 and name HD1# ) (resid 264 and name HE# ) 3.0 1.2 1.3 ! A.2015 at 2.20e+06
assign (resid 263 and name HA ) (resid 266 and name HB ) 2.5 0.7 0.2 ! A.2044 at 3.41e+06
assign (resid 263 and name HD1# ) (resid 266 and name HB ) 3.0 1.2 0.8 ! A.2046 at 2.59e+06
assign (resid 263 and name HD1# ) (resid 266 and name HG2# ) 3.0 1.2 1.3 ! A.881 at 2.37e+06
assign (resid 263 and name HA ) (resid 266 and name HG2# ) 3.0 1.2 0.8 ! A.2076 at 1.50e+06
assign (resid 263 and name HD2# ) (resid 266 and name HG2# ) 4.0 2.2 2.0 ! A.2080 at 5.89e+05
assign (resid 263 and name HD1# ) (resid 267 and name HD# ) 4.0 2.2 1.5 ! A.2068 at -7.05e+05
assign (resid 263 and name HD2# ) (resid 267 and name HD# ) 4.0 2.2 1.5 ! A.582 at -6.03e+05
assign (resid 263 and name HD1# ) (resid 267 and name HE# ) 3.0 1.2 0.8 ! A.2443 at -1.35e+06
assign (resid 263 and name HD1# ) (resid 267 and name HZ ) 4.0 2.2 1.5 ! A.2425 at -1.17e+06

! M64
assign (resid 264 and name HE# ) (resid 264 and name HB1 ) 4.0 2.2 1.5 ! A.1994 at 9.53e+05
assign (resid 264 and name HA ) (resid 264 and name HE# ) 2.5 0.7 0.7 ! A.2017 at 3.73e+06
assign (resid 264 and name HA ) (resid 264 and name HG1 ) 4.0 2.2 1.0 ! A.2011 at -6.28e+05
assign (resid 264 and name HE# ) (resid 264 and name HG1 ) 3.0 1.2 0.8 ! A.2013 at -1.67e+06
assign (resid 264 and name HE# ) (resid 264 and name HG2 ) 3.0 1.2 0.8 ! A.2009 at -1.41e+06
assign (resid 264 and name HA ) (resid 264 and name HG2 ) 3.0 1.2 0.3 ! A.2003 at -1.70e+06
assign (resid 264 and name HE# ) (resid 267 and name HE# ) 4.0 2.2 1.5 ! A.2416 at -7.93e+05
assign (resid 264 and name HE# ) (resid 267 and name HD# ) 3.0 1.2 0.8 ! A.248 at -1.96e+06
assign (resid 264 and name HA ) (resid 267 and name HD# ) 4.0 2.2 1.0 ! A.2069 at -5.22e+05
assign (resid 264 and name HA ) (resid 267 and name HB2 ) 3.0 1.2 0.3 ! A.2053 at -1.32e+06
assign (resid 264 and name HA ) (resid 267 and name HB1 ) 4.0 2.2 1.0 ! A.2059 at -1.06e+06
assign (resid 264 and name HE# ) (resid 281 and name HD1# ) 3.0 1.2 1.3 ! A.253 at 1.43e+06
assign (resid 264 and name HA ) (resid 281 and name HD2# ) 4.0 2.2 1.5 ! A.334 at 8.86e+05
assign (resid 264 and name HA ) (resid 281 and name HD1# ) 4.0 2.2 1.5 ! A.1990 at 7.98e+05
assign (resid 264 and name HE# ) (resid 284 and name HD# ) 3.0 1.2 0.8 ! A.245 at -1.89e+06
assign (resid 264 and name HE# ) (resid 284 and name HA ) 4.0 2.2 1.5 ! A.2026 at 5.85e+05
assign (resid 264 and name HE# ) (resid 284 and name HB1 ) 4.0 2.2 1.5 ! A.257 at -1.21e+06
assign (resid 264 and name HE# ) (resid 284 and name HE# ) 4.0 2.2 1.5 ! A.249 at -7.87e+05
assign (resid 264 and name HE# ) (resid 284 and name HB2 ) 4.0 2.2 1.5 ! A.2379 at -7.24e+05
assign (resid 264 and name HE# ) (resid 287 and name HG2# ) 4.0 2.2 2.0 ! A.2491 at 5.38e+05

! D65
assign (resid 265 and name HB2 ) (resid 266 and name HA ) 4.0 2.2 2.0 ! A.2049 at -5.29e+05 (widened1)
assign (resid 265 and name HB1 ) (resid 266 and name HG2# ) 4.0 2.2 1.5 ! A.2036 at -7.32e+05
assign (resid 265 and name HB1 ) (resid 268 and name HB# ) 4.0 2.2 1.5 ! A.2090 at -9.25e+05
assign (resid 265 and name HA ) (resid 268 and name HB# ) 2.5 0.7 0.7 ! A.1546 at 4.41e+06

! T66
assign (resid 266 and name HG2# ) (resid 266 and name HA ) 2.5 0.7 0.7 ! A.2071 at 7.06e+06
assign (resid 266 and name HG2# ) (resid 267 and name HD# ) 4.0 2.2 1.5 ! A.585 at -8.98e+05
assign (resid 266 and name HG2# ) (resid 267 and name HA ) 3.0 1.2 0.8 ! A.480 at 1.28e+06
assign (resid 266 and name HG2# ) (resid 269 and name HB# ) 4.0 2.2 2.0 ! A.2251 at 7.18e+05
assign (resid 266 and name HA ) (resid 269 and name HB# ) 3.0 1.2 0.8 ! A.57 at 1.79e+06
assign (resid 266 and name HA ) (resid 269 and name HD# ) 4.0 2.2 1.5 ! A.778 at 1.21e+06
assign (resid 266 and name HA ) (resid 269 and name HE# ) 4.0 2.2 1.5 ! A.2050 at -8.94e+05
assign (resid 266 and name HG2# ) (resid 269 and name HD# ) 4.0 2.2 2.0 ! A.2078 at 8.31e+05
assign (resid 266 and name HG2# ) (resid 270 and name HG1 ) 4.0 2.2 1.5 ! A.2077 at -9.36e+05
assign (resid 266 and name HG2# ) (resid 270 and name HB# ) 4.0 2.2 2.0 ! A.485 at 7.06e+05

! F67
assign (resid 267 and name HA ) (resid 267 and name HD# ) 3.0 1.2 0.3 ! A.2066 at -2.84e+06
assign (resid 267 and name HA ) (resid 270 and name HB# ) 3.0 1.2 0.8 ! A.2119 at 1.97e+06
assign (resid 267 and name HA ) (resid 270 and name HG2 ) 4.0 2.2 1.0 ! A.282 at -1.09e+06
assign (resid 267 and name HA ) (resid 270 and name HG1 ) 4.0 2.2 1.0 ! A.2122 at -7.85e+05
assign (resid 267 and name HB1 ) (resid 271 and name HD2# ) 4.0 2.2 1.5 ! A.2063 at -8.60e+05
assign (resid 267 and name HB2 ) (resid 271 and name HD2# ) 4.0 2.2 1.5 ! A.2082 at -5.27e+05
assign (resid 267 and name HD# ) (resid 281 and name HD1# ) 3.0 1.2 0.8 ! A.2336 at -1.37e+06
assign (resid 267 and name HB1 ) (resid 281 and name HD2# ) 4.0 2.2 1.5 ! A.517 at -1.09e+06
assign (resid 267 and name HB2 ) (resid 281 and name HD2# ) 3.0 1.2 0.8 ! A.516 at -1.32e+06
assign (resid 267 and name HA ) (resid 281 and name HD1# ) 4.0 2.2 1.5 ! A.2341 at 5.48e+05
assign (resid 267 and name HB2 ) (resid 281 and name HD1# ) 3.0 1.2 0.8 ! A.2339 at -1.56e+06
assign (resid 267 and name HB1 ) (resid 281 and name HD1# ) 3.0 1.2 0.8 ! A.2338 at -1.89e+06

! S68
assign (resid 268 and name HB# ) (resid 269 and name HG2 ) 4.0 2.2 1.5 ! A.2105 at 6.24e+05
assign (resid 268 and name HA ) (resid 271 and name HD2# ) 3.0 1.2 0.8 ! A.2155 at 2.91e+06
assign (resid 268 and name HA ) (resid 271 and name HD1# ) 4.0 2.2 1.5 ! A.2173 at 9.36e+05
assign (resid 268 and name HA ) (resid 271 and name HB2 ) 3.0 1.2 0.3 ! A.59 at -1.93e+06
assign (resid 268 and name HA ) (resid 271 and name HB1 ) 4.0 2.2 1.0 ! A.60 at -8.90e+05
assign (resid 268 and name HA ) (resid 271 and name HG ) 4.0 2.2 1.0 ! A.2087 at 1.06e+06
assign (resid 268 and name HA ) (resid 278 and name HG# ) 3.0 1.2 0.8 ! A.2263 at -1.55e+06
assign (resid 268 and name HB# ) (resid 281 and name HD2# ) 2.5 0.7 1.2 ! A.2329 at 4.16e+06
assign (resid 268 and name HB# ) (resid 281 and name HD1# ) 4.0 2.2 2.0 ! A.2340 at 9.39e+05

! K69

! Q70
assign (resid 270 and name HG2 ) (resid 270 and name HA ) 3.0 1.2 0.3 ! A.2112 at -3.18e+06
assign (resid 270 and name HA ) (resid 270 and name HG1 ) 3.0 1.2 0.3 ! A.2123 at -2.22e+06
assign (resid 270 and name HG2 ) (resid 271 and name HD1# ) 4.0 2.2 1.5 ! A.2169 at -6.58e+05

! L71
assign (resid 271 and name HD2# ) (resid 271 and name HA ) 3.0 1.2 0.8 ! A.2137 at 1.43e+06
assign (resid 271 and name HD1# ) (resid 271 and name HA ) 2.5 0.7 0.7 ! A.2136 at 9.53e+06
assign (resid 271 and name HA ) (resid 274 and name HB2 ) 4.0 2.2 1.0 ! A.2220 at 1.24e+06
assign (resid 271 and name HD1# ) (resid 274 and name HG1 ) 4.0 2.2 1.5 ! A.2166 at -6.83e+05
assign (resid 271 and name HD1# ) (resid 274 and name HG2 ) 4.0 2.2 1.5 ! A.2165 at -7.77e+05
assign (resid 271 and name HB2 ) (resid 274 and name HG2 ) 4.0 2.2 1.0 ! A.2141 at 8.22e+05
assign (resid 271 and name HD1# ) (resid 276 and name HB1 ) 3.0 1.2 0.8 ! A.2249 at 1.71e+06
assign (resid 271 and name HB1 ) (resid 276 and name HB2 ) 4.0 2.2 1.0 ! A.2247 at -9.10e+05
assign (resid 271 and name HA ) (resid 276 and name HB2 ) 4.0 2.2 1.0 ! A.2244 at 1.04e+06
assign (resid 271 and name HD1# ) (resid 276 and name HB2 ) 3.0 1.2 0.8 ! A.2245 at 3.08e+06
assign (resid 271 and name HD1# ) (resid 276 and name HG# ) 2.5 0.7 1.2 ! A.2235 at 3.49e+06
assign (resid 271 and name HA ) (resid 276 and name HD# ) 4.0 2.2 1.5 ! A.2238 at -1.08e+06
assign (resid 271 and name HD1# ) (resid 276 and name HA ) 4.0 2.2 1.5 ! A.2170 at 8.20e+05
assign (resid 271 and name HD1# ) (resid 276 and name HD# ) 2.5 0.7 1.2 ! A.2159 at -6.07e+06
assign (resid 271 and name HD2# ) (resid 278 and name HB1 ) 4.0 2.2 1.5 ! A.2276 at 6.36e+05
assign (resid 271 and name HD2# ) (resid 278 and name HA ) 2.5 0.7 0.7 ! A.2154 at 5.24e+06
assign (resid 271 and name HD2# ) (resid 278 and name HG# ) 3.0 1.2 1.3 ! A.2156 at -1.77e+06
assign (resid 271 and name HD1# ) (resid 278 and name HA ) 3.0 1.2 0.8 ! A.2171 at 1.37e+06
assign (resid 271 and name HG ) (resid 278 and name HG# ) 4.0 2.2 1.5 ! A.2270 at -8.30e+05
assign (resid 271 and name HB2 ) (resid 278 and name HG# ) 4.0 2.2 1.5 ! A.2266 at 9.03e+05
assign (resid 271 and name HD1# ) (resid 278 and name HG# ) 4.0 2.2 2.0 ! A.2269 at -7.82e+05
assign (resid 271 and name HD1# ) (resid 280 and name HG11 ) 4.0 2.2 1.5 ! A.2313 at 5.78e+05
assign (resid 271 and name HD2# ) (resid 280 and name HG11 ) 4.0 2.2 1.5 ! A.2311 at 7.09e+05
assign (resid 271 and name HD1# ) (resid 280 and name HD1# ) 3.0 1.2 1.3 ! A.2163 at 1.56e+06
assign (resid 271 and name HD1# ) (resid 280 and name HG2# ) 3.0 1.2 1.3 ! A.2164 at 1.87e+06
assign (resid 271 and name HG ) (resid 280 and name HG2# ) 3.0 1.2 0.8 ! A.2293 at 1.43e+06
assign (resid 271 and name HD2# ) (resid 280 and name HG2# ) 2.5 0.7 1.2 ! A.2302 at 3.64e+06

! K72
assign (resid 272 and name HA ) (resid 272 and name HD# ) 3.0 1.2 0.8 ! A.2133 at 2.10e+06
assign (resid 272 and name HA ) (resid 272 and name HG1 ) 3.0 1.2 0.3 ! A.813 at 2.40e+06
assign (resid 272 and name HA ) (resid 272 and name HG2 ) 2.5 0.7 0.2 ! A.2110 at 3.66e+06
assign (resid 272 and name HA ) (resid 272 and name HE# ) 4.0 2.2 1.5 ! A.2102 at -1.24e+06
assign (resid 272 and name HE# ) (resid 278 and name HG# ) 4.0 2.2 2.0 ! A.2268 at 7.29e+05

! L73
assign (resid 273 and name HA ) (resid 273 and name HD2# ) 2.5 0.7 0.7 ! A.2205 at 1.04e+07
assign (resid 273 and name HG ) (resid 273 and name HA ) 3.0 1.2 0.3 ! A.2187 at 1.94e+06
assign (resid 273 and name HD1# ) (resid 273 and name HA ) 3.0 1.2 0.8 ! A.2189 at 3.02e+06
assign (resid 273 and name HD1# ) (resid 274 and name HG2 ) 4.0 2.2 1.5 ! A.841 at -9.21e+05
assign (resid 273 and name HD1# ) (resid 274 and name HG1 ) 4.0 2.2 1.5 ! A.2215 at -9.24e+05

! E74
assign (resid 274 and name HG2 ) (resid 274 and name HA ) 3.0 1.2 0.3 ! A.2207 at -7.08e+06 (widened1)
assign (resid 274 and name HG1 ) (resid 274 and name HA ) 3.0 1.2 0.3 ! A.2206 at -2.99e+06
assign (resid 274 and name HG2 ) (resid 276 and name HG# ) 4.0 2.2 1.5 ! A.2234 at -6.65e+05
assign (resid 274 and name HG1 ) (resid 276 and name HG# ) 4.0 2.2 2.5 ! A.2233 at -4.73e+05
assign (resid 274 and name HG2 ) (resid 276 and name HD# ) 4.0 2.2 2.5 ! A.2236 at 5.65e+05 (widened1)
assign (resid 274 and name HA ) (resid 276 and name HD# ) 4.0 2.2 1.5 ! A.2239 at -5.20e+05
assign (resid 274 and name HG1 ) (resid 276 and name HD# ) 4.0 2.2 2.5 ! A.801 at 6.89e+05 (widened1)

! G75

! R76
assign (resid 276 and name HD# ) (resid 276 and name HB1 ) 3.0 1.2 0.8 ! A.2250 at -2.82e+06
assign (resid 276 and name HA ) (resid 276 and name HG# ) 2.5 0.7 0.7 ! A.2232 at 7.53e+06
assign (resid 276 and name HA ) (resid 276 and name HD# ) 3.0 1.2 0.8 ! A.2237 at -2.31e+06
assign (resid 276 and name HD# ) (resid 280 and name HD1# ) 4.0 2.2 2.0 ! A.2306 at -6.63e+05

! S77
assign (resid 277 and name HA ) (resid 278 and name HG# ) 4.0 2.2 1.5 ! A.2253 at -8.08e+05
assign (resid 277 and name HB2 ) (resid 280 and name HG2# ) 4.0 2.2 1.5 ! A.2297 at 6.86e+05

! E78
assign (resid 278 and name HA ) (resid 278 and name HG# ) 2.5 0.7 0.7 ! A.2262 at -7.23e+06
assign (resid 278 and name HA ) (resid 280 and name HG2# ) 3.0 1.2 0.8 ! A.2296 at 1.43e+06
assign (resid 278 and name HB1 ) (resid 281 and name HD2# ) 4.0 2.2 1.5 ! A.2275 at 1.25e+06
assign (resid 278 and name HB2 ) (resid 281 and name HD2# ) 4.0 2.2 1.5 ! A.2273 at 1.07e+06
assign (resid 278 and name HG# ) (resid 281 and name HD2# ) 3.0 1.2 1.3 ! A.2332 at -1.35e+06
assign (resid 278 and name HA ) (resid 281 and name HD2# ) 3.0 1.2 0.8 ! A.2260 at 1.65e+06

! D79
assign (resid 279 and name HB2 ) (resid 280 and name HA ) 4.0 2.2 1.0 ! A.2291 at -6.04e+05
assign (resid 279 and name HA ) (resid 282 and name HG ) 3.0 1.2 0.3 ! A.2361 at 1.26e+06
assign (resid 279 and name HB1 ) (resid 282 and name HD2# ) 4.0 2.2 1.5 ! A.2365 at -9.97e+05
assign (resid 279 and name HA ) (resid 282 and name HD2# ) 3.0 1.2 0.8 ! A.2359 at 2.10e+06
assign (resid 279 and name HA ) (resid 282 and name HD1# ) 4.0 2.2 1.5 ! A.2358 at 5.68e+05
assign (resid 279 and name HB2 ) (resid 282 and name HD2# ) 4.0 2.2 1.5 ! A.2285 at -8.18e+05

! I80
assign (resid 280 and name HD1# ) (resid 280 and name HA ) 3.0 1.2 0.8 ! A.2287 at 2.91e+06
assign (resid 280 and name HG2# ) (resid 280 and name HA ) 2.5 0.7 0.7 ! A.2288 at 5.87e+06
assign (resid 280 and name HG11 ) (resid 280 and name HA ) 3.0 1.2 0.3 ! A.2289 at 2.22e+06
assign (resid 280 and name HG11 ) (resid 281 and name HD1# ) 4.0 2.2 1.5 ! A.2312 at 5.98e+05
assign (resid 280 and name HG2# ) (resid 281 and name HD2# ) 4.0 2.2 2.0 ! A.2333 at 6.73e+05
assign (resid 280 and name HG2# ) (resid 281 and name HD1# ) 3.0 1.2 1.3 ! A.2299 at 2.50e+06
assign (resid 280 and name HG2# ) (resid 281 and name HB# ) 4.0 2.2 2.0 ! A.2298 at -6.22e+05
assign (resid 280 and name HG2# ) (resid 281 and name HA ) 4.0 2.2 1.5 ! A.2322 at 1.10e+06
assign (resid 280 and name HD1# ) (resid 281 and name HD1# ) 4.0 2.2 2.0 ! A.2308 at 1.12e+06
assign (resid 280 and name HA ) (resid 283 and name HB1 ) 4.0 2.2 2.0 ! A.63 at -4.48e+05
assign (resid 280 and name HA ) (resid 283 and name HB2 ) 4.0 2.2 1.0 ! A.64 at -5.50e+05
assign (resid 280 and name HG2# ) (resid 284 and name HD# ) 4.0 2.2 2.5 ! A.2294 at -4.99e+05
assign (resid 280 and name HG2# ) (resid 284 and name HE# ) 4.0 2.2 1.5 ! A.220 at -8.37e+05
assign (resid 280 and name HG11 ) (resid 284 and name HE# ) 4.0 2.2 1.0 ! A.2384 at -5.39e+05

! L81
assign (resid 281 and name HA ) (resid 281 and name HD1# ) 2.5 0.7 0.7 ! A.2337 at 6.84e+06
assign (resid 281 and name HG ) (resid 281 and name HA ) 3.0 1.2 0.3 ! A.2328 at 1.89e+06
assign (resid 281 and name HD2# ) (resid 281 and name HA ) 3.0 1.2 0.8 ! A.2325 at 1.50e+06
assign (resid 281 and name HA ) (resid 284 and name HD# ) 3.0 1.2 0.3 ! A.586 at -2.03e+06
assign (resid 281 and name HD1# ) (resid 284 and name HD# ) 3.0 1.2 0.8 ! A.602 at -1.59e+06
assign (resid 281 and name HD1# ) (resid 284 and name HE# ) 3.0 1.2 0.8 ! A.2334 at -2.08e+06
assign (resid 281 and name HA ) (resid 284 and name HE# ) 3.0 1.2 0.3 ! A.2324 at -1.39e+06

! L82

! D83
assign (resid 283 and name HA ) (resid 286 and name HD1# ) 4.0 2.2 1.5 ! A.468 at 5.92e+05
assign (resid 283 and name HB2 ) (resid 286 and name HD1# ) 4.0 2.2 1.5 ! A.2369 at -6.96e+05
assign (resid 283 and name HB2 ) (resid 286 and name HG ) 4.0 2.2 1.0 ! A.2370 at -5.17e+05
assign (resid 283 and name HB1 ) (resid 286 and name HD1# ) 4.0 2.2 1.5 ! A.2371 at -5.74e+05

! Y84
assign (resid 284 and name HA ) (resid 284 and name HD# ) 3.0 1.2 0.3 ! A.2381 at -2.08e+06
assign (resid 284 and name HE# ) (resid 284 and name HA ) 4.0 2.2 1.0 ! A.2374 at -6.26e+05
assign (resid 284 and name HD# ) (resid 287 and name HG2# ) 4.0 2.2 1.5 ! A.591 at -6.27e+05
assign (resid 284 and name HA ) (resid 287 and name HB ) 4.0 2.2 1.0 ! A.445 at 7.87e+05
assign (resid 284 and name HB1 ) (resid 287 and name HB ) 4.0 2.2 2.0 ! A.2483 at -4.57e+05
assign (resid 284 and name HD# ) (resid 287 and name HB ) 4.0 2.2 1.0 ! A.2481 at -5.44e+05

! R85
assign (resid 285 and name HA ) (resid 285 and name HG# ) 4.0 2.2 1.5 ! A.2392 at 8.91e+05
assign (resid 285 and name HA ) (resid 288 and name HD1# ) 4.0 2.2 1.5 ! A.2529 at 8.17e+05
assign (resid 285 and name HA ) (resid 288 and name HB2 ) 4.0 2.2 1.0 ! A.67 at -5.16e+05
assign (resid 285 and name HA ) (resid 288 and name HB1 ) 4.0 2.2 1.0 ! A.66 at -1.21e+06
assign (resid 285 and name HB# ) (resid 289 and name HD1# ) 4.0 2.2 2.0 ! A.2389 at 5.49e+05

! L86
assign (resid 286 and name HA ) (resid 286 and name HD1# ) 3.0 1.2 0.8 ! A.2463 at 1.76e+06
assign (resid 286 and name HA ) (resid 286 and name HD2# ) 2.5 0.7 0.7 ! A.2467 at 6.65e+06
assign (resid 286 and name HD1# ) (resid 286 and name HB2 ) 3.0 1.2 0.8 ! A.2454 at -3.09e+06
assign (resid 286 and name HD2# ) (resid 286 and name HB2 ) 3.0 1.2 0.8 ! A.2457 at -1.81e+06
assign (resid 286 and name HD1# ) (resid 286 and name HB1 ) 3.0 1.2 0.8 ! A.2460 at -2.76e+06
assign (resid 286 and name HD2# ) (resid 289 and name HG2# ) 3.0 1.2 1.3 ! A.2470 at 1.94e+06
assign (resid 286 and name HD2# ) (resid 289 and name HB ) 4.0 2.2 1.5 ! A.2469 at -9.47e+05
assign (resid 286 and name HD2# ) (resid 289 and name HD1# ) 3.0 1.2 1.3 ! A.2912 at 3.11e+06
assign (resid 286 and name HA ) (resid 289 and name HB ) 3.0 1.2 0.3 ! A.2553 at -1.77e+06
assign (resid 286 and name HA ) (resid 289 and name HG2# ) 4.0 2.2 1.5 ! A.1885 at 8.50e+05

! T87
assign (resid 287 and name HG2# ) (resid 287 and name HA ) 2.5 0.7 0.7 ! A.2477 at 4.74e+06
assign (resid 287 and name HA ) (resid 290 and name HB# ) 3.0 1.2 0.8 ! A.69 at -1.50e+06
assign (resid 287 and name HG2# ) (resid 290 and name HB# ) 4.0 2.2 2.0 ! A.2493 at -5.49e+05
assign (resid 287 and name HA ) (resid 291 and name HG2# ) 4.0 2.2 1.5 ! A.2478 at 7.57e+05

! L88
assign (resid 288 and name HA ) (resid 288 and name HG ) 4.0 2.2 1.0 ! A.2508 at 9.28e+05
assign (resid 288 and name HA ) (resid 288 and name HD1# ) 4.0 2.2 1.5 ! A.2528 at 9.33e+05
assign (resid 288 and name HA ) (resid 288 and name HD2# ) 2.5 0.7 0.7 ! A.2515 at 4.66e+06
assign (resid 288 and name HD2# ) (resid 288 and name HB1 ) 3.0 1.2 0.8 ! A.2498 at -1.33e+06
assign (resid 288 and name HD1# ) (resid 288 and name HB1 ) 3.0 1.2 0.8 ! A.2500 at -1.89e+06
assign (resid 288 and name HD2# ) (resid 288 and name HB2 ) 3.0 1.2 0.8 ! A.2506 at -1.52e+06
assign (resid 288 and name HD1# ) (resid 288 and name HB2 ) 3.0 1.2 0.8 ! A.2505 at -1.70e+06
assign (resid 288 and name HA ) (resid 291 and name HB ) 4.0 2.2 1.0 ! A.2590 at 1.17e+06
assign (resid 288 and name HD2# ) (resid 291 and name HB ) 4.0 2.2 1.5 ! A.2519 at 9.89e+05
assign (resid 288 and name HD2# ) (resid 292 and name HG2# ) 3.0 1.2 1.3 ! A.2521 at 2.32e+06

! I89
assign (resid 289 and name HG2# ) (resid 290 and name HA ) 4.0 2.2 1.5 ! A.1884 at 9.07e+05
assign (resid 289 and name HG2# ) (resid 293 and name HB# ) 3.0 1.2 1.3 ! A.1892 at 1.59e+06

! D90
assign (resid 290 and name HB# ) (resid 291 and name HG2# ) 4.0 2.2 2.0 ! A.2609 at -7.21e+05
assign (resid 290 and name HA ) (resid 291 and name HG2# ) 4.0 2.2 1.5 ! A.2580 at 7.75e+05
assign (resid 290 and name HA ) (resid 293 and name HB# ) 2.5 0.7 0.7 ! A.72 at 3.43e+06

! V91
assign (resid 291 and name HG1# ) (resid 291 and name HA ) 2.5 0.7 0.7 ! A.2584 at 3.75e+06
assign (resid 291 and name HG2# ) (resid 291 and name HA ) 2.5 0.7 0.7 ! A.2585 at 4.96e+06
assign (resid 291 and name HG1# ) (resid 292 and name HA ) 4.0 2.2 1.5 ! A.2619 at 7.96e+05
assign (resid 291 and name HA ) (resid 294 and name HB# ) 4.0 2.2 1.5 ! A.2680 at 6.14e+05

! I92
assign (resid 292 and name HD1# ) (resid 292 and name HA ) 4.0 2.2 1.5 ! A.2616 at 5.81e+05
assign (resid 292 and name HG2# ) (resid 292 and name HA ) 3.0 1.2 0.8 ! A.2617 at 2.85e+06
assign (resid 292 and name HA ) (resid 295 and name HD2# ) 4.0 2.2 1.5 ! A.2707 at 8.09e+05
assign (resid 292 and name HA ) (resid 295 and name HB2 ) 4.0 2.2 1.0 ! A.74 at -8.22e+05
assign (resid 292 and name HA ) (resid 295 and name HD1# ) 4.0 2.2 2.5 ! A.2621 at 4.89e+05
assign (resid 292 and name HA ) (resid 295 and name HB1 ) 4.0 2.2 1.0 ! A.2692 at -7.87e+05
assign (resid 292 and name HG2# ) (resid 295 and name HD2# ) 4.0 2.2 2.0 ! A.2644 at 9.90e+05

! A93
assign (resid 293 and name HB# ) (resid 294 and name HA ) 4.0 2.2 1.5 ! A.377 at 6.15e+05

! H94
assign (resid 294 and name HA ) (resid 297 and name HB1 ) 4.0 2.2 1.0 ! A.1783 at 8.51e+05
assign (resid 294 and name HA ) (resid 297 and name HB2 ) 4.0 2.2 1.0 ! A.78 at 7.78e+05

! L95
assign (resid 295 and name HD2# ) (resid 295 and name HA ) 3.0 1.2 0.8 ! A.2687 at 1.35e+06
assign (resid 295 and name HD1# ) (resid 298 and name HE# ) 4.0 2.2 2.0 ! A.2781 at 9.56e+05
assign (resid 295 and name HA ) (resid 298 and name HB2 ) 4.0 2.2 1.0 ! A.2768 at 1.12e+06
assign (resid 295 and name HG ) (resid 299 and name HD# ) 4.0 2.2 1.0 ! A.608 at -5.10e+05
assign (resid 295 and name HD2# ) (resid 299 and name HD# ) 4.0 2.2 1.5 ! A.611 at -8.47e+05
assign (resid 295 and name HG ) (resid 299 and name HE# ) 4.0 2.2 1.0 ! A.2703 at -6.37e+05
assign (resid 295 and name HD2# ) (resid 299 and name HE# ) 3.0 1.2 0.8 ! A.617 at -1.30e+06
assign (resid 295 and name HD1# ) (resid 299 and name HE# ) 3.0 1.2 0.8 ! A.2716 at -1.60e+06
assign ((resid 253 or resid 243) and name HA ) (resid 295 and name HD2# ) 4.0 2.2 1.5 ! A.2708 at 1.24e+06

! C96
assign (resid 296 and name HA ) (resid 299 and name HB1 ) 4.0 2.2 2.0 ! A.1658 at -4.06e+05
assign (resid 296 and name HA ) (resid 299 and name HB2 ) 4.0 2.2 2.0 ! A.80 at -4.75e+05
assign (resid 296 and name HA ) (resid 299 and name HE# ) 4.0 2.2 1.0 ! A.620 at -7.91e+05

! E97
assign (resid 297 and name HG2 ) (resid 297 and name HA ) 4.0 2.2 1.0 ! A.2731 at -8.57e+05
assign (resid 297 and name HG1 ) (resid 297 and name HA ) 4.0 2.2 1.0 ! A.2730 at -5.42e+05
assign (resid 297 and name HA ) (resid 300 and name HB1 ) 4.0 2.2 1.0 ! A.83 at 1.18e+06
assign (resid 297 and name HA ) (resid 300 and name HB2 ) 4.0 2.2 1.0 ! A.84 at 6.15e+05

! M98
assign (resid 298 and name HA ) (resid 298 and name HG1 ) 3.0 1.2 0.3 ! A.2762 at 1.69e+06
assign (resid 298 and name HE# ) (resid 298 and name HB1 ) 4.0 2.2 1.5 ! A.2755 at 9.35e+05
assign (resid 298 and name HE# ) (resid 298 and name HB2 ) 4.0 2.2 1.5 ! A.2761 at 9.02e+05
assign (resid 298 and name HE# ) (resid 298 and name HA ) 4.0 2.2 1.5 ! A.2750 at 1.13e+06
assign (resid 298 and name HA ) (resid 301 and name HD1 ) 3.0 1.2 0.3 ! A.2749 at -1.39e+06
assign (resid 298 and name HA ) (resid 301 and name HD2 ) 4.0 2.2 1.0 ! A.2829 at -9.61e+05
assign (resid 298 and name HE# ) (resid 301 and name HD1 ) 4.0 2.2 1.5 ! A.2778 at -7.27e+05

! Y99
assign (resid 299 and name HE# ) (resid 299 and name HA ) 4.0 2.2 1.0 ! A.2788 at -7.18e+05
assign (resid 299 and name HD# ) (resid 299 and name HA ) 3.0 1.2 0.3 ! A.2789 at -2.55e+06
assign (resid 299 and name HA ) (resid 302 and name HB# ) 4.0 2.2 1.5 ! A.87 at 9.24e+05

! R100
assign (resid 300 and name HA ) (resid 300 and name HG# ) 4.0 2.2 1.5 ! A.2804 at 9.05e+05

! R101
assign (resid 301 and name HD1 ) (resid 301 and name HB2 ) 3.0 1.2 0.3 ! A.2819 at -2.01e+06
assign (resid 301 and name HA ) (resid 301 and name HG2 ) 3.0 1.2 0.3 ! A.2822 at 2.68e+06
assign (resid 301 and name HA ) (resid 301 and name HG1 ) 3.0 1.2 0.3 ! A.2821 at 2.67e+06
assign (resid 301 and name HA ) (resid 301 and name HD1 ) 4.0 2.2 1.0 ! A.2824 at -1.05e+06
assign (resid 301 and name HA ) (resid 301 and name HD2 ) 4.0 2.2 1.0 ! A.2828 at -9.73e+05

! S102

! I103
assign (resid 303 and name HA ) (resid 304 and name HG2 ) 4.0 2.2 1.0 ! A.733 at 8.84e+05
assign (resid 303 and name HG2# ) (resid 305 and name HG# ) 3.0 1.2 1.3 ! A.2887 at 1.39e+06
assign (resid 303 and name HG2# ) (resid 305 and name HD# ) 3.0 1.2 1.3 ! A.2885 at -1.39e+06
assign (resid 303 and name HG2# ) (resid 305 and name HA ) 4.0 2.2 1.5 ! A.2854 at 6.92e+05

! P104

! R105
assign (resid 305 and name HD# ) (resid 305 and name HB1 ) 3.0 1.2 0.8 ! A.2880 at -2.77e+06
assign (resid 305 and name HD# ) (resid 305 and name HB2 ) 3.0 1.2 0.8 ! A.2883 at -2.69e+06
assign (resid 305 and name HA ) (resid 305 and name HD# ) 2.5 0.7 0.7 ! A.2884 at -3.89e+06
assign (resid 305 and name HA ) (resid 306 and name HG# ) 4.0 2.2 1.5 ! A.2230 at -6.45e+05

! E106
assign (resid 306 and name HG# ) (resid 306 and name HA ) 3.0 1.2 0.8 ! A.2889 at -3.16e+06

! V107
assign (resid 307 and name HG1# ) (resid 307 and name HA ) 3.0 1.2 0.8 ! A.2893 at 1.26e+06
assign (resid 307 and name HG2# ) (resid 307 and name HA ) 3.0 1.2 0.8 ! A.2894 at 1.31e+06

!@ END_XPLR_NOE_FILE
! pck2xplr.nawk Table; Input File: n15_ambig.PCK
!   Date: Wed Aug  6 10:36:29 CDT 2003
!   Path: /home/vakon/NMR_data/KaiA/Th180C/Structure/analysis/noe
!
!@ BEGIN_XPLR_PCK_SUM
! LBL   File-Name                   All   Intra  Seq.  Short   Long
! A   n15_ambig.PCK                  55    12     18     19      6
!    Total                           55    12     18     19      6

!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE
!


! SEGID a
! K12
assign (resid 12 and name HA or resid 38 and name HB2) (resid 15 and name HN or resid 40 and name HN) 3.0 1.2 0.5 ! A.479 

! L13

! L14
assign (resid  14 and name   HN ) (resid  14 and name  HB2 or resid 13 and name HB2 )  2.5  0.7  0.4 ! A.426  at 2.18e+08
assign (resid  14 and name   HA or resid 11 and name HA) (resid  15 and name   HN )  4.0  2.2  1.0 ! A.484  at 4.18e+07

! D15
assign (resid 15 and name HN or resid 40 and name HN) (resid 17 and name HB2 or resid 38 and name HB2) 4.0 2.2 1.0 ! A.475 

! E16

! L17

! R18
assign (resid  18 and name   HA or resid 17 and name HA ) (resid  21 and name   HN )  4.0  2.2  1.0 ! A.20   at 5.92e+07

! S19

! I20
assign (resid  20 and name   HN ) (resid  20 and name   HB  or resid 20 and name HG11 )  2.5  0.7  0.4 ! A.145  at 3.37e+08

! Y21
assign (resid  21 and name   HA  or resid 22 and name HA ) (resid  25 and name   HN )  3.0  1.2  0.5 ! A.741  at 7.96e+07

! R22
assign (resid  22 and name  HG1 or resid 24 and name HB ) (resid  23 and name   HN )  3.0  1.2  0.5 ! A.217  at 6.96e+07
assign (resid  22 and name   HN ) (resid  63 and name HD* )  3.0  1.2  1.0 ! A.781  at 9.54e+07

! T23

! I24
assign (resid  24 and name   HN or resid 26 and name HN) (resid  25 and name   HN )  2.5  0.7  0.4 ! A.748  at 2.28e+08
assign (resid  24 and name   HA or resid 25 and name HA) (resid  27 and name   HN )  4.0  2.2  1.0 ! A.796  at 4.87e+07
assign (resid  24 and name   HA or resid 25 and name HA) (resid  28 and name   HN )  4.0  2.2  1.0 ! A.512  at 5.87e+07
assign (resid  24 and name HG12 or resid 24 and name HD1# ) (resid  38 and name   HN )  4.0  2.2  1.5 ! A.313  at 3.66e+07
assign (resid  24 and name HD1# or resid 24 and name HG11 ) (resid  39 and name   HN )  3.0  1.2  1.0 ! A.413  at 1.16e+08

! V25
assign (resid  25 and name   HN or resid 27 and name HN) (resid  26 and name   HN )  2.5  0.7  0.4 ! A.703  at 1.95e+08

! L26
assign (resid  26 and name   HN ) (resid  26 and name HD* )  3.0  1.2  1.0 ! A.709  at 1.77e+08
assign (resid  26 and name HD2# or resid 35 and name HG2# ) (resid  27 and name   HN )  4.0  2.2  1.5 ! A.791  at 4.58e+07

! E27

! Y28

! F29
assign (resid  29 and name   HN ) (resid  29 and name  HB1 or resid 28 and name HB2 )  3.0  1.2  0.5 ! A.176  at -1.55e+08

! N30

! T31

! D32

! A33

! K34

! V35

! N36

! E37

! R38
assign (resid  38 and name   HN ) (resid  39 and name HD1# or resid 39 and name HG12 )  4.0  2.2  1.5 ! A.312  at 3.13e+07
assign (resid  38 and name   HN ) (resid  40 and name  HB1 or resid 36 and name HB1 )  4.0  2.2  2.0 ! A.308  at 1.63e+07

! I39
assign (resid  39 and name   HN ) (resid  39 and name HG12 or resid 39 and name HD1# )  3.0  1.2  0.5 ! A.414  at 1.52e+08
assign (resid 39 and name HN or resid 85 and name HN) (resid 41 and name HN or resid 83 and name HN) 4.0 2.2 1.0 ! A.411 

! D40

! E41

! F42

! V43

! S44

! K45

! A46

! F47

! F48
assign (resid  48 and name   HN ) (resid  49 and name  HB# or resid 51 and name HG11)  4.0  2.2  2.5 ! A.451  at 1.78e+07

! A49
assign (resid  49 and name   HA or resid 48 and name HA) (resid  50 and name   HN )  3.0  1.2  0.5 ! A.698  at 7.88e+07

! D50

! I51

! S52
assign (resid  52 and name  HB2 or resid 54 and name HA ) (resid  55 and name   HN )  3.0  1.2  0.5 ! A.588  at 9.97e+07

! V53
assign (resid  53 and name   HN ) (resid  53 and name   HB or resid 297 and name HG2)  3.0  1.2  0.5 ! A.32   at 1.01e+08

! S54

! Q55

! V56
assign (resid  56 and name HG1# or resid 59 and name HG2#) (resid  60 and name   HN )  3.0  1.2  1.0 ! A.674  at 9.07e+07

! L57

! E58
assign (resid  58 and name   HN ) (resid  58 and name  HB2 or resid 58 and name HG2 )  2.5  0.7  0.4 ! A.726  at 3.21e+08
assign (resid  58 and name  HB2 or resid 61 and name HB) (resid  60 and name   HN )  4.0  2.2  1.0 ! A.671  at 2.55e+07

! I59

! H60
assign (resid  60 and name   HA or resid 63 and name HA) (resid  64 and name   HN )  3.0  1.2  0.5 ! A.81   at 7.53e+07

! V61
assign (resid  61 and name HG1# or resid 81 and name HD1#) (resid  65 and name   HN )  4.0  2.2  2.5 ! A.357  at 2.14e+07

! E62
assign (resid  62 and name   HN ) (resid  62 and name  HB1 or resid 61 and name HB)  2.5  0.7  0.4 ! A.434  at 4.75e+08
assign (resid  62 and name  HB1 or resid 62 and name HG2) (resid  66 and name   HN )  4.0  2.2  2.0 ! A.812  at 2.15e+07

! L63
assign (resid  63 and name   HN ) (resid  63 and name HD2# or resid 59 and name HG2#)  3.0  1.2  1.0 ! A.526  at 1.25e+08

! M64

! D65
assign (resid  65 and name   HN ) (resid  66 and name   HN or resid 63 and name HN)  3.0  1.2  0.5 ! A.353  at 1.17e+08

! T66
assign (resid  66 and name   HA or resid 63 and name HA) (resid  67 and name   HN )  3.0  1.2  0.5 ! A.134  at 8.15e+07

! F67

! S68

! K69

! Q70

! L71

! K72

! L73
assign (resid  73 and name   HN ) (resid  73 and name HD* )  4.0  2.2  1.5 ! A.546  at 4.97e+07

! E74

! G75

! R76

! S77

! E78
assign (resid  78 and name   HA or resid 81 and name HA) (resid  81 and name   HN )  4.0  2.2  1.0 ! A.652  at 4.39e+07

! D79

! I80

! L81
assign (resid  81 and name   HA or resid 78 and name HA) (resid  82 and name   HN )  3.0  1.2  0.5 ! A.613  at 7.19e+07
assign (resid  81 and name   HN ) (resid  82 and name   HN or resid 83 and name HN )  4.0  2.2  1.0 ! A.653  at 4.56e+07

! L82

! D83

! Y84

! R85
assign (resid  85 and name   HA or resid 88 and name HA) (resid  89 and name   HN )  4.0  2.2  1.0 ! A.724  at 4.98e+07
assign (resid  85 and name HD2# or resid 253 and name HG1#) (resid  94 and name   HN )  4.0  2.2  1.5 ! A.819  at 2.62e+07

! L86

! T87
assign (resid  87 and name HG2# or resid 88 and name HD2#) (resid  88 and name   HN )  3.0  1.2  1.0 ! A.285  at 8.03e+07

! L88
assign (resid  88 and name   HN ) (resid  89 and name HG11 or resid 89 and name HB)  4.0  2.2  1.0 ! A.280  at 2.88e+07

! I89
assign (resid 89 and name HN) (resid 89 and name HG2# or resid 89 and name HD1# or resid 289 and name HD1#) 3.0 1.2 1.0 ! A.720 

! D90

! V91

! I92

! A93

! H94

! L95
assign (resid  95 and name   HA or resid 93 and name HA) (resid  96 and name   HN )  3.0  1.2  0.5 ! A.40   at 9.12e+07

! C96

! E97

! M98
assign (resid  98 and name   HN  or resid 99 and name HD#) (resid  99 and name   HN )  2.5  0.7  0.4 ! A.756  at 1.81e+08
assign (resid  98 and name   HN or resid 299 and name HB1) (resid 100 and name   HN )  4.0  2.2  1.0 ! A.380  at 5.87e+07

! Y99
assign (resid  99 and name  HB1 or resid 299 and name HB1) (resid 100 and name   HN )  4.0  2.2  1.0 ! A.374  at 5.25e+07

! R100
assign (resid 100 and name   HN ) (resid 103 and name   HB or resid 101 and name HB2)  4.0  2.2  2.0 ! A.375  at 2.01e+07

! R101
assign (resid 101 and name  HG2 or resid 98 and name HB2) (resid 102 and name   HN )  4.0  2.2  1.0 ! A.204  at 3.50e+07

! I103
assign (resid 103 and name HN) (resid 104 and name HD1 or resid 304 and name HD1) 4.0 2.2 1.0 ! A.848 at 5.49e+07
assign (resid 103 and name HN) (resid 104 and name HD2 or resid 304 and name HD2) 4.0 2.2 1.0 ! A.847 at 2.69e+07

! SEGID b
! K12
assign (resid 212 and name HA or resid 238 and name HB2) (resid 215 and name HN or resid 240 and name HN) 3.0 1.2 0.5 ! A.479 

! L13

! L14
assign (resid  214 and name   HN ) (resid  214 and name  HB2 or resid 213 and name HB2 )  2.5  0.7  0.4 ! A.426  at 2.18e+08
assign (resid  214 and name   HA or resid 211 and name HA) (resid  215 and name   HN )  4.0  2.2  1.0 ! A.484  at 4.18e+07

! D15
assign (resid 215 and name HN or resid 240 and name HN) (resid 217 and name HB2 or resid 38 and name HB2) 4.0 2.2 1.0 ! A.475

! E16

! L17

! R18
assign (resid  218 and name   HA or resid 217 and name HA ) (resid  221 and name   HN )  4.0  2.2  1.0 ! A.20   at 5.92e+07

! S19

! I20
assign (resid  220 and name   HN ) (resid  220 and name   HB  or resid 220 and name HG11 )  2.5  0.7  0.4 ! A.145  at 3.37e+08

! Y21
assign (resid  221 and name   HA  or resid 222 and name HA ) (resid  225 and name   HN )  3.0  1.2  0.5 ! A.741  at 7.96e+07

! R22
assign (resid  222 and name  HG1 or resid 224 and name HB ) (resid  223 and name   HN )  3.0  1.2  0.5 ! A.217  at 6.96e+07
assign (resid  222 and name   HN ) (resid  263 and name HD* )  3.0  1.2  1.0 ! A.781  at 9.54e+07

! T23

! I24
assign (resid  224 and name   HN or resid 226 and name HN) (resid  225 and name   HN )  2.5  0.7  0.4 ! A.748  at 2.28e+08
assign (resid  224 and name   HA or resid 225 and name HA) (resid  227 and name   HN )  4.0  2.2  1.0 ! A.796  at 4.87e+07
assign (resid  224 and name   HA or resid 225 and name HA) (resid  228 and name   HN )  4.0  2.2  1.0 ! A.512  at 5.87e+07
assign (resid  224 and name HG12 or resid 224 and name HD1# ) (resid  238 and name   HN )  4.0  2.2  1.5 ! A.313  at 3.66e+07
assign (resid  224 and name HD1# or resid 224 and name HG11 ) (resid  239 and name   HN )  3.0  1.2  1.0 ! A.413  at 1.16e+08

! V25
assign (resid  225 and name   HN or resid 227 and name HN) (resid  226 and name   HN )  2.5  0.7  0.4 ! A.703  at 1.95e+08

! L26
assign (resid  226 and name   HN ) (resid  226 and name HD* )  3.0  1.2  1.0 ! A.709  at 1.77e+08
assign (resid  226 and name HD2# or resid 235 and name HG2# ) (resid  227 and name   HN )  4.0  2.2  1.5 ! A.791  at 4.58e+07

! E27

! Y28

! F29
assign (resid  229 and name   HN ) (resid  229 and name  HB1 or resid 228 and name HB2 )  3.0  1.2  0.5 ! A.176  at -1.55e+08

! N30

! T31

! D32

! A33

! K34

! V35

! N36

! E37

! R38
assign (resid  238 and name   HN ) (resid  239 and name HD1# or resid 239 and name HG12 )  4.0  2.2  1.5 ! A.312  at 3.13e+07
assign (resid  238 and name   HN ) (resid  240 and name  HB1 or resid 236 and name HB1 )  4.0  2.2  2.0 ! A.308  at 1.63e+07

! I39
assign (resid  239 and name   HN ) (resid  239 and name HG12 or resid 239 and name HD1# )  3.0  1.2  0.5 ! A.414  at 1.52e+08
assign (resid 239 and name HN or resid 285 and name HN) (resid 241 and name HN or resid 83 and name HN) 4.0 2.2 1.0 ! A.411

! D40

! E41

! F42

! V43

! S44

! K45

! A46

! F47

! F48
assign (resid  248 and name   HN ) (resid  249 and name  HB# or resid 251 and name HG11)  4.0  2.2  2.5 ! A.451  at 1.78e+07

! A49
assign (resid  249 and name   HA or resid 248 and name HA) (resid  250 and name   HN )  3.0  1.2  0.5 ! A.698  at 7.88e+07

! D50

! I51

! S52
assign (resid  252 and name  HB2 or resid 254 and name HA ) (resid  255 and name   HN )  3.0  1.2  0.5 ! A.588  at 9.97e+07

! V53
assign (resid  253 and name   HN ) (resid  253 and name   HB or resid 97 and name HG2)  3.0  1.2  0.5 ! A.32   at 1.01e+08

! S54

! Q55

! V56
assign (resid  256 and name HG1# or resid 259 and name HG2#) (resid  260 and name   HN )  3.0  1.2  1.0 ! A.674  at 9.07e+07

! L57

! E58
assign (resid  258 and name   HN ) (resid 258 and name  HB2 or resid 258 and name HG2 )  2.5  0.7  0.4 ! A.726  at 3.21e+08
assign (resid  258 and name  HB2 or resid 261 and name HB) (resid  260 and name   HN )  4.0  2.2  1.0 ! A.671  at 2.55e+07

! I59

! H60
assign (resid  260 and name   HA or resid 263 and name HA) (resid  264 and name   HN )  3.0  1.2  0.5 ! A.81   at 7.53e+07

! V61
assign (resid  261 and name HG1# or resid 281 and name HD1#) (resid  265 and name   HN )  4.0  2.2  2.5 ! A.357  at 2.14e+07

! E62
assign (resid  262 and name   HN ) (resid  262 and name  HB1 or resid 261 and name HB)  2.5  0.7  0.4 ! A.434  at 4.75e+08
assign (resid  262 and name  HB1 or resid 262 and name HG2) (resid  266 and name   HN )  4.0  2.2  2.0 ! A.812  at 2.15e+07

! L63
assign (resid  263 and name   HN ) (resid  263 and name HD2# or resid 259 and name HG2#)  3.0  1.2  1.0 ! A.526  at 1.25e+08

! M64

! D65
assign (resid  265 and name   HN ) (resid  266 and name   HN or resid 263 and name HN)  3.0  1.2  0.5 ! A.353  at 1.17e+08

! T66
assign (resid  266 and name   HA or resid 263 and name HA) (resid  267 and name   HN )  3.0  1.2  0.5 ! A.134  at 8.15e+07

! F67

! S68

! K69

! Q70

! L71

! K72

! L73
assign (resid  273 and name   HN ) (resid  273 and name HD* )  4.0  2.2  1.5 ! A.546  at 4.97e+07

! E74

! G75

! R76

! S77

! E78
assign (resid  278 and name   HA or resid 281 and name HA) (resid  281 and name   HN )  4.0  2.2  1.0 ! A.652  at 4.39e+07

! D79

! I80

! L81
assign (resid 281 and name   HA or resid 278 and name HA) (resid  282 and name   HN )  3.0  1.2  0.5 ! A.613  at 7.19e+07
assign (resid  281 and name   HN ) (resid  282 and name   HN or resid 283 and name HN )  4.0  2.2  1.0 ! A.653  at 4.56e+07

! L82

! D83

! Y84

! R85
assign (resid  285 and name   HA or resid 288 and name HA) (resid  289 and name   HN )  4.0  2.2  1.0 ! A.724  at 4.98e+07
assign (resid  285 and name HD2# or resid 53 and name HG1#) (resid  294 and name   HN )  4.0  2.2  1.5 ! A.819  at 2.62e+07

! L86

! T87
assign (resid  287 and name HG2# or resid 288 and name HD2#) (resid  288 and name   HN )  3.0  1.2  1.0 ! A.285  at 8.03e+07

! L88
assign (resid  288 and name   HN ) (resid  289 and name HG11 or resid 289 and name HB)  4.0  2.2  1.0 ! A.280  at 2.88e+07

! I89
assign (resid  289 and name   HN ) (resid  289 and name HG2# or resid 289 and name HD1# or resid 89 and name HD1#)  3.0  1.2  1.0 ! A.720  at 1.45e+08

! D90

! V91

! I92

! A93

! H94

! L95
assign (resid  295 and name   HA or resid 293 and name HA) (resid  296 and name   HN )  3.0  1.2  0.5 ! A.40   at 9.12e+07

! C96

! E97

! M98
assign (resid  298 and name   HN  or resid 299 and name HD#) (resid  299 and name   HN )  2.5  0.7  0.4 ! A.756  at 1.81e+08
assign (resid  298 and name   HN or resid 99 and name HB1) (resid 300 and name   HN )  4.0  2.2  1.0 ! A.380  at 5.87e+07

! Y99
assign (resid  299 and name  HB1 or resid 99 and name HB1) (resid 300 and name   HN )  4.0  2.2  1.0 ! A.374  at 5.25e+07

! R100
assign (resid 300 and name   HN ) (resid 303 and name   HB or resid 301 and name HB2)  4.0  2.2  2.0 ! A.375  at 2.01e+07

! R101
assign (resid 301 and name  HG2 or resid 298 and name HB2) (resid 302 and name   HN )  4.0  2.2  1.0 ! A.204  at 3.50e+07

! I103
assign (resid 103 and name HN) (resid 104 and name HD1 or resid 304 and name HD1) 4.0 2.2 1.0 ! A.848 at 5.49e+07
assign (resid 103 and name HN) (resid 104 and name HD2 or resid 304 and name HD2) 4.0 2.2 1.0 ! A.847 at 2.69e+07
! pck2xplr.nawk Table; Input File: n15_unambig.PCK
!   Date: Wed Aug  6 07:54:06 CDT 2003
!   Path: /home/vakon/NMR_data/KaiA/Th180C/Structure/analysis/noe
!
!@ BEGIN_XPLR_PCK_SUM
! LBL   File-Name                   All   Intra  Seq.  Short   Long
! A   n15_unambig.PCK               591   189    247    124     31
!    Total                          591   189    247    124     31

!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE

! SEGID a
!
! A1

! M2

! A3

! R4

! M5

! S6

! P7

! A8
assign (resid   8 and name   HA ) (resid  11 and name   HN )  4.0  2.2  2.0 ! A.467  at 2.18e+07

! D9

! K10
assign (resid  10 and name  HG# ) (resid  11 and name   HN )  4.0  2.2  2.5 ! A.464  at 1.80e+07
assign (resid  10 and name   HA ) (resid  13 and name   HN )  4.0  2.2  1.0 ! A.535  at 5.84e+07

! R11
assign (resid  11 and name  HG# ) (resid  11 and name   HN )  4.0  2.2  1.5 ! A.463  at 5.17e+07
assign (resid  11 and name  HB# ) (resid  11 and name   HN )  2.5  0.7  0.9 ! A.462  at 1.83e+08
assign (resid  11 and name  HD# ) (resid  11 and name   HN )  4.0  2.2  2.5 ! A.465  at 1.75e+07

! K12
assign (resid  12 and name  HB# ) (resid  12 and name   HN )  3.0  1.2  1.0 ! A.630  at 1.07e+08
assign (resid  12 and name  HB# ) (resid  13 and name   HN )  3.0  1.2  1.0 ! A.541  at 1.52e+08
assign (resid  12 and name  HG2 ) (resid  13 and name   HN )  4.0  2.2  1.0 ! A.544  at 2.58e+07
assign (resid  12 and name   HN ) (resid  13 and name HD* )  4.0  2.2  1.5 ! A.625  at 3.27e+07
assign (resid  12 and name   HA ) (resid  14 and name   HN )  4.0  2.2  2.0 ! A.422  at 2.13e+07

! L13
assign (resid  13 and name   HG ) (resid  13 and name   HN )  2.5  0.7  0.4 ! A.543  at 2.27e+08
assign (resid  13 and name HD* ) (resid  13 and name   HN )  4.0  2.2  1.5 ! A.545  at 5.18e+07
assign (resid  13 and name  HB2 ) (resid  13 and name   HN )  3.0  1.2  0.5 ! A.542  at 1.91e+08 (widened1)
assign (resid  13 and name   HN ) (resid  14 and name   HN )  3.0  1.2  0.5 ! A.537  at 9.32e+07
assign (resid  13 and name   HA ) (resid  14 and name   HN )  4.0  2.2  1.0 ! A.421  at 3.24e+07
assign (resid  13 and name HD* ) (resid  49 and name   HN )  4.0  2.2  2.5 ! A.643  at 1.71e+07

! L14
assign (resid  14 and name HD2# ) (resid  14 and name   HN )  3.0  1.2  1.0 ! A.419  at 8.32e+07
assign (resid  14 and name   HG ) (resid  14 and name   HN )  2.5  0.7  0.4 ! A.420  at 2.28e+08
assign (resid  14 and name  HB1 ) (resid  14 and name   HN )  3.0  1.2  0.5 ! A.427  at 1.12e+08
assign (resid  14 and name   HN ) (resid  15 and name  HB2 )  4.0  2.2  2.0 ! A.425  at 1.92e+07
assign (resid  14 and name   HN ) (resid  15 and name   HN )  3.0  1.2  0.5 ! A.424  at 1.04e+08
assign (resid  14 and name   HA ) (resid  16 and name   HN )  4.0  2.2  1.0 ! A.362  at 2.59e+07
assign (resid  14 and name   HN ) (resid  16 and name   HN )  4.0  2.2  1.0 ! A.371  at 3.03e+07
assign (resid  14 and name   HA ) (resid  17 and name   HN )  4.0  2.2  1.0 ! A.111  at 4.59e+07
assign (resid  14 and name HD1# ) (resid  55 and name HE22 )  4.0  2.2  1.5 ! A.243  at -2.38e+07
assign (resid  14 and name HD1# ) (resid  55 and name HE21 )  4.0  2.2  1.5 ! A.241  at -2.31e+07

! D15
assign (resid  15 and name  HB2 ) (resid  15 and name   HN )  2.5  0.7  0.4 ! A.473  at 1.95e+08
assign (resid  15 and name  HB1 ) (resid  16 and name   HN )  3.0  1.2  0.5 ! A.364  at 1.06e+08
assign (resid  15 and name  HB2 ) (resid  16 and name   HN )  3.0  1.2  0.5 ! A.363  at 1.16e+08
assign (resid  15 and name   HA ) (resid  17 and name   HN )  4.0  2.2  2.0 ! A.109  at 1.79e+07

! E16
assign (resid  16 and name  HB# ) (resid  16 and name   HN )  2.5  0.7  0.9 ! A.366  at 2.95e+08
assign (resid  16 and name  HG# ) (resid  16 and name   HN )  3.0  1.2  1.0 ! A.365  at 1.01e+08
assign (resid  16 and name   HN ) (resid  17 and name   HG )  4.0  2.2  1.0 ! A.367  at 4.96e+07
assign (resid  16 and name   HN ) (resid  17 and name   HN )  3.0  1.2  0.5 ! A.370  at 1.53e+08
assign (resid  16 and name  HB# ) (resid  17 and name   HN )  3.0  1.2  1.0 ! A.113  at 8.83e+07
assign (resid  16 and name   HN ) (resid  18 and name   HN )  4.0  2.2  1.0 ! A.369  at 3.50e+07
assign (resid  16 and name   HN ) (resid  20 and name HD1# )  4.0  2.2  1.5 ! A.368  at 3.45e+07

! L17
assign (resid  17 and name  HB2 ) (resid  17 and name   HN )  3.0  1.2  0.5 ! A.114  at 1.03e+08
assign (resid  17 and name  HB1 ) (resid  17 and name   HN )  4.0  2.2  1.0 ! A.116  at 6.38e+07
assign (resid  17 and name   HG ) (resid  17 and name   HN )  3.0  1.2  0.5 ! A.115  at 1.49e+08
assign (resid  17 and name HD1# ) (resid  17 and name   HN )  4.0  2.2  1.5 ! A.118  at 5.43e+07
assign (resid  17 and name   HN ) (resid  18 and name   HN )  3.0  1.2  0.5 ! A.326  at 1.47e+08
assign (resid  17 and name  HB1 ) (resid  18 and name   HN )  4.0  2.2  1.0 ! A.318  at 4.47e+07
assign (resid  17 and name HD1# ) (resid  18 and name   HN )  4.0  2.2  1.5 ! A.328  at 2.46e+07
assign (resid  17 and name   HN ) (resid  20 and name HD1# )  4.0  2.2  1.5 ! A.117  at 3.75e+07
assign (resid  17 and name HD1# ) (resid  46 and name   HN )  4.0  2.2  1.5 ! A.126  at 2.93e+07

! R18
assign (resid  18 and name  HB# ) (resid  18 and name   HN )  2.5  0.7  0.9 ! A.317  at 2.83e+08
assign (resid  18 and name  HD# ) (resid  18 and name   HN )  4.0  2.2  1.5 ! A.316  at 2.90e+07
assign (resid  18 and name  HG# ) (resid  18 and name   HN )  3.0  1.2  1.0 ! A.320  at 8.38e+07
assign (resid  18 and name   HN ) (resid  19 and name   HN )  3.0  1.2  0.5 ! A.325  at 1.05e+08
assign (resid  18 and name  HB# ) (resid  19 and name   HN )  3.0  1.2  1.0 ! A.837  at 1.67e+08
assign (resid  18 and name  HG# ) (resid  19 and name   HN )  4.0  2.2  2.5 ! A.838  at 2.05e+07
assign (resid  18 and name   HA ) (resid  22 and name   HN )  4.0  2.2  1.0 ! A.789  at 4.44e+07

! S19
assign (resid  19 and name  HB# ) (resid  19 and name   HN )  2.5  0.7  0.9 ! A.835  at 4.06e+08
assign (resid  19 and name   HA ) (resid  20 and name   HN )  4.0  2.2  1.0 ! A.143  at 5.40e+07
assign (resid  19 and name   HN ) (resid  20 and name   HN )  3.0  1.2  0.5 ! A.150  at 9.89e+07
assign (resid  19 and name  HB# ) (resid  20 and name   HN )  3.0  1.2  1.0 ! A.142  at 1.78e+08
assign (resid  19 and name   HA ) (resid  21 and name   HN )  4.0  2.2  2.0 ! A.21   at 1.56e+07
assign (resid  19 and name   HA ) (resid  22 and name   HN )  4.0  2.2  1.0 ! A.786  at 6.40e+07

! I20
assign (resid  20 and name HD1# ) (resid  20 and name   HN )  3.0  1.2  1.0 ! A.147  at 9.86e+07
assign (resid  20 and name HG12 ) (resid  20 and name   HN )  3.0  1.2  0.5 ! A.146  at 1.37e+08
assign (resid  20 and name   HN ) (resid  21 and name   HN )  3.0  1.2  0.5 ! A.148  at 8.62e+07
assign (resid  20 and name HG2# ) (resid  21 and name   HN )  4.0  2.2  1.5 ! A.17   at 4.89e+07
assign (resid  20 and name   HB ) (resid  21 and name   HN )  3.0  1.2  0.5 ! A.15   at 1.28e+08
assign (resid  20 and name   HA ) (resid  21 and name   HN )  4.0  2.2  1.0 ! A.19   at 3.50e+07
assign (resid  20 and name   HN ) (resid  22 and name   HN )  4.0  2.2  2.0 ! A.790  at 1.96e+07
assign (resid  20 and name   HN ) (resid  42 and name  HD# )  4.0  2.2  1.0 ! A.149  at 2.86e+07
assign (resid  20 and name HD1# ) (resid  42 and name   HN )  4.0  2.2  2.5 ! A.342  at 2.21e+07
assign (resid  20 and name HG2# ) (resid  42 and name   HN )  3.0  1.2  1.0 ! A.339  at 1.01e+08

! Y21
assign (resid  21 and name  HD# ) (resid  21 and name   HN )  4.0  2.2  1.0 ! A.23   at 3.72e+07
assign (resid  21 and name  HB2 ) (resid  21 and name   HN )  3.0  1.2  0.5 ! A.14   at 1.36e+08
assign (resid  21 and name  HB1 ) (resid  21 and name   HN )  3.0  1.2  0.5 ! A.13   at 1.18e+08
assign (resid  21 and name   HN ) (resid  22 and name   HN )  3.0  1.2  0.5 ! A.26   at 9.29e+07
assign (resid  21 and name  HD1 ) (resid  22 and name   HN )  4.0  2.2  1.0 ! A.787  at 2.53e+07
assign (resid  21 and name  HB2 ) (resid  22 and name   HN )  3.0  1.2  0.5 ! A.784  at 7.66e+07
assign (resid  21 and name  HB1 ) (resid  22 and name   HN )  3.0  1.2  0.5 ! A.783  at 7.72e+07
assign (resid  21 and name   HA ) (resid  24 and name   HN )  3.0  1.2  0.5 ! A.497  at 7.87e+07
assign (resid  21 and name   HN ) (resid  42 and name  HD# )  4.0  2.2  1.0 ! A.24   at 5.19e+07
assign (resid  21 and name   HN ) (resid  42 and name  HE# )  4.0  2.2  1.0 ! A.25   at 6.13e+07
assign (resid  21 and name  HE# ) (resid  60 and name   HN )  4.0  2.2  2.0 ! A.680  at 2.03e+07
assign (resid  21 and name   HN ) (resid  63 and name HD2# )  4.0  2.2  1.5 ! A.80   at 6.30e+07

! R22
assign (resid  22 and name  HB2 ) (resid  22 and name   HN )  2.5  0.7  0.4 ! A.779  at 2.09e+08
assign (resid  22 and name  HG2 ) (resid  22 and name   HN )  4.0  2.2  1.0 ! A.780  at 7.13e+07 (widened1)
assign (resid  22 and name  HB1 ) (resid  22 and name   HN )  2.5  0.7  0.4 ! A.778  at 2.18e+08
assign (resid  22 and name   HN ) (resid  23 and name   HN )  3.0  1.2  0.5 ! A.788  at 9.30e+07
assign (resid  22 and name  HD# ) (resid  23 and name   HN )  4.0  2.2  1.5 ! A.223  at 3.98e+07
assign (resid  22 and name  HB1 ) (resid  23 and name   HN )  3.0  1.2  0.5 ! A.214  at 1.44e+08
assign (resid  22 and name  HB2 ) (resid  23 and name   HN )  4.0  2.2  1.0 ! A.215  at 1.07e+08 (widened1)
assign (resid  22 and name   HA ) (resid  23 and name   HN )  3.0  1.2  0.5 ! A.209  at 7.77e+07
assign (resid  22 and name  HB1 ) (resid  24 and name   HN )  4.0  2.2  1.0 ! A.500  at 2.35e+07
assign (resid  22 and name   HA ) (resid  26 and name   HN )  4.0  2.2  1.0 ! A.706  at 2.75e+07

! T23
assign (resid  23 and name HG2# ) (resid  23 and name   HN )  3.0  1.2  1.0 ! A.218  at 1.14e+08
assign (resid  23 and name   HB ) (resid  23 and name   HN )  2.5  0.7  0.4 ! A.207  at 2.59e+08
assign (resid  23 and name   HN ) (resid  24 and name   HN )  3.0  1.2  0.5 ! A.509  at 9.70e+07
assign (resid  23 and name HG2# ) (resid  24 and name   HN )  3.0  1.2  1.0 ! A.503  at 6.59e+07
assign (resid  23 and name   HA ) (resid  24 and name   HN )  4.0  2.2  1.0 ! A.498  at 6.14e+07
assign (resid  23 and name   HB ) (resid  24 and name   HN )  3.0  1.2  0.5 ! A.499  at 9.09e+07
assign (resid  23 and name   HN ) (resid  24 and name HG11 )  4.0  2.2  1.0 ! A.216  at 3.38e+07
assign (resid  23 and name   HN ) (resid  24 and name HG12 )  4.0  2.2  1.0 ! A.219  at 2.76e+07
assign (resid  23 and name   HA ) (resid  26 and name   HN )  3.0  1.2  0.5 ! A.705  at 6.89e+07
assign (resid  23 and name HG2# ) (resid  26 and name   HN )  4.0  2.2  2.5 ! A.711  at 1.79e+07
assign (resid  23 and name HG2# ) (resid  27 and name   HN )  4.0  2.2  1.5 ! A.793  at 2.37e+07
assign (resid  23 and name   HA ) (resid  27 and name   HN )  4.0  2.2  1.0 ! A.798  at 3.23e+07

! I24
assign (resid  24 and name HG11 ) (resid  24 and name   HN )  3.0  1.2  0.5 ! A.501  at 1.64e+08
assign (resid  24 and name   HB ) (resid  24 and name   HN )  3.0  1.2  0.5 ! A.502  at 1.72e+08
assign (resid  24 and name HG12 ) (resid  24 and name   HN )  3.0  1.2  0.5 ! A.505  at 1.68e+08
assign (resid  24 and name HG2# ) (resid  24 and name   HN )  3.0  1.2  1.0 ! A.506  at 9.17e+07
assign (resid  24 and name   HN ) (resid  25 and name   HN )  3.0  1.2  0.5 ! A.510  at 9.51e+07
assign (resid  24 and name HG12 ) (resid  25 and name   HN )  3.0  1.2  0.5 ! A.746  at 9.09e+07
assign (resid  24 and name   HB ) (resid  25 and name   HN )  3.0  1.2  0.5 ! A.744  at 1.63e+08
assign (resid  24 and name HG2# ) (resid  28 and name   HN )  4.0  2.2  2.5 ! A.521  at 1.83e+07

! V25
assign (resid  25 and name HG2# ) (resid  25 and name   HN )  2.5  0.7  0.9 ! A.747  at 2.99e+08
assign (resid  25 and name   HB ) (resid  25 and name   HN )  2.5  0.7  0.4 ! A.743  at 3.12e+08
assign (resid  25 and name HG1# ) (resid  25 and name   HN )  3.0  1.2  1.0 ! A.749  at 1.00e+08
assign (resid  25 and name   HA ) (resid  26 and name   HN )  4.0  2.2  1.0 ! A.707  at 5.96e+07
assign (resid  25 and name HG1# ) (resid  26 and name   HN )  3.0  1.2  1.0 ! A.702  at 8.50e+07
assign (resid  25 and name HG2# ) (resid  26 and name   HN )  3.0  1.2  1.0 ! A.710  at 6.89e+07
assign (resid  25 and name   HN ) (resid  63 and name HD2# )  4.0  2.2  1.5 ! A.745  at 6.12e+07

! L26
assign (resid  26 and name  HB1 ) (resid  26 and name   HN )  3.0  1.2  0.5 ! A.708  at 1.59e+08
assign (resid  26 and name  HB1 ) (resid  27 and name   HN )  4.0  2.2  1.0 ! A.801  at 6.32e+07
assign (resid  26 and name   HA ) (resid  27 and name   HN )  4.0  2.2  1.0 ! A.799  at 6.08e+07
assign (resid  26 and name   HN ) (resid  28 and name   HN )  3.0  1.2  0.5 ! A.515  at 8.58e+07
assign (resid  26 and name   HN ) (resid  67 and name   HZ )  4.0  2.2  2.0 ! A.712  at 1.42e+07

! E27
assign (resid  27 and name  HB2 ) (resid  27 and name   HN )  2.5  0.7  0.4 ! A.794  at 2.39e+08
assign (resid  27 and name  HG1 ) (resid  27 and name   HN )  3.0  1.2  0.5 ! A.795  at 1.15e+08
assign (resid  27 and name  HB1 ) (resid  27 and name   HN )  3.0  1.2  0.5 ! A.803  at 1.10e+08
assign (resid  27 and name  HB2 ) (resid  28 and name   HN )  4.0  2.2  1.0 ! A.518  at 3.70e+07
assign (resid  27 and name   HA ) (resid  28 and name   HN )  4.0  2.2  1.0 ! A.513  at 5.35e+07
assign (resid  27 and name   HN ) (resid  28 and name  HB2 )  4.0  2.2  1.0 ! A.797  at 3.60e+07
assign (resid  27 and name   HN ) (resid  35 and name HG1# )  4.0  2.2  2.5 ! A.792  at 1.93e+07

! Y28
assign (resid  28 and name  HD# ) (resid  28 and name   HN )  4.0  2.2  1.0 ! A.514  at 6.89e+07 (widened)
assign (resid  28 and name  HB1 ) (resid  28 and name   HN )  3.0  1.2  0.5 ! A.517  at 1.60e+08
assign (resid  28 and name  HB2 ) (resid  28 and name   HN )  2.5  0.7  0.4 ! A.511  at 1.99e+08
assign (resid  28 and name   HN ) (resid  29 and name   HN )  4.0  2.2  1.0 ! A.180  at -6.15e+07
assign (resid  28 and name  HD# ) (resid  29 and name   HN )  4.0  2.2  1.0 ! A.178  at -4.60e+07
assign (resid  28 and name  HB1 ) (resid  29 and name   HN )  3.0  1.2  0.5 ! A.174  at -7.28e+07
assign (resid  28 and name   HA ) (resid  30 and name   HN )  4.0  2.2  1.0 ! A.667  at 2.73e+07
assign (resid  28 and name   HN ) (resid  35 and name HG2# )  4.0  2.2  2.5 ! A.520  at 2.11e+07
assign (resid  28 and name   HN ) (resid  35 and name HG1# )  4.0  2.2  1.5 ! A.519  at 3.19e+07

! F29
assign (resid  29 and name  HB2 ) (resid  29 and name   HN )  3.0  1.2  0.5 ! A.175  at -1.34e+08
assign (resid  29 and name  HD# ) (resid  29 and name   HN )  3.0  1.2  0.5 ! A.179  at -9.01e+07
assign (resid  29 and name   HN ) (resid  30 and name   HN )  3.0  1.2  0.5 ! A.181  at -9.27e+07
assign (resid  29 and name  HB1 ) (resid  30 and name   HN )  4.0  2.2  1.0 ! A.668  at 3.02e+07
assign (resid  29 and name   HA ) (resid  30 and name   HN )  3.0  1.2  0.5 ! A.665  at 6.79e+07

! N30
assign (resid  30 and name  HB1 ) (resid  30 and name HD21 )  4.0  2.2  1.0 ! A.251  at -2.91e+07
assign (resid  30 and name  HB1 ) (resid  30 and name HD22 )  4.0  2.2  1.0 ! A.244  at -3.74e+07
assign (resid  30 and name  HB2 ) (resid  30 and name HD22 )  4.0  2.2  1.0 ! A.245  at -3.99e+07
assign (resid  30 and name  HB2 ) (resid  30 and name HD21 )  4.0  2.2  1.0 ! A.250  at -4.48e+07
assign (resid  30 and name  HB2 ) (resid  30 and name   HN )  3.0  1.2  0.5 ! A.656  at 1.58e+08
assign (resid  30 and name  HB1 ) (resid  30 and name   HN )  3.0  1.2  0.5 ! A.657  at 1.31e+08
assign (resid  30 and name HD21 ) (resid  33 and name  HB# )  4.0  2.2  2.5 ! A.249  at -2.17e+07
assign (resid  30 and name HD22 ) (resid  33 and name  HB# )  4.0  2.2  2.5 ! A.246  at -2.08e+07

! T31

! D32
assign (resid  32 and name  HB2 ) (resid  32 and name   HN )  4.0  2.2  2.0 ! A.418  at 1.83e+07

! A33
assign (resid  33 and name  HB# ) (resid  33 and name   HN )  3.0  1.2  1.0 ! A.841  at 1.45e+08
assign (resid  32 and name   HA ) (resid  33 and name   HN )  3.0  1.2  0.5 ! A.842  at 4.74e+07
assign (resid  32 and name  HB2 ) (resid  33 and name   HN )  4.0  2.2  2.0 ! A.843  at 1.80e+07
assign (resid  32 and name  HB1 ) (resid  33 and name   HN )  4.0  2.2  2.0 ! A.844  at 1.67e+07

! K34
assign (resid  34 and name  HG1 ) (resid  35 and name   HN )  4.0  2.2  1.0 ! A.660  at 6.07e+07

! V35
assign (resid  35 and name   HB ) (resid  35 and name   HN )  3.0  1.2  0.5 ! A.669  at 7.64e+07
assign (resid  35 and name HG1# ) (resid  35 and name   HN )  4.0  2.2  1.5 ! A.659  at 4.45e+07
assign (resid  35 and name HG2# ) (resid  35 and name   HN )  3.0  1.2  1.0 ! A.658  at 6.51e+07
assign (resid  35 and name HG1# ) (resid  38 and name   HN )  4.0  2.2  2.5 ! A.314  at 1.82e+07
assign (resid  35 and name   HA ) (resid  38 and name   HN )  3.0  1.2  0.5 ! A.304  at 7.74e+07
assign (resid  35 and name   HA ) (resid  39 and name   HN )  4.0  2.2  1.0 ! A.409  at 2.87e+07

! N36
assign (resid  36 and name   HA ) (resid  39 and name   HN )  4.0  2.2  1.0 ! A.406  at 6.34e+07

! E37
assign (resid  37 and name  HB# ) (resid  37 and name   HN )  4.0  2.2  1.5 ! A.468  at 4.17e+07
assign (resid  37 and name  HG# ) (resid  37 and name   HN )  4.0  2.2  1.5 ! A.469  at 2.57e+07
assign (resid  37 and name  HG# ) (resid  38 and name   HN )  4.0  2.2  1.5 ! A.309  at 5.21e+07
assign (resid  37 and name   HA ) (resid  38 and name   HN )  3.0  1.2  0.5 ! A.303  at 6.68e+07
assign (resid  37 and name   HN ) (resid  38 and name   HN )  3.0  1.2  0.5 ! A.301  at 6.44e+07

! R38
assign (resid  38 and name  HD2 ) (resid  38 and name   HN )  4.0  2.2  2.0 ! A.307  at 1.73e+07
assign (resid  38 and name  HD1 ) (resid  38 and name   HN )  4.0  2.2  2.0 ! A.306  at 1.73e+07
assign (resid  38 and name  HG# ) (resid  38 and name   HN )  2.5  0.7  0.4 ! A.311  at 2.96e+08 (renamed)
assign (resid  38 and name  HB2 ) (resid  38 and name   HN )  2.5  0.7  0.4 ! A.310  at 2.51e+08
assign (resid  38 and name   HA ) (resid  39 and name   HN )  4.0  2.2  1.0 ! A.407  at 3.20e+07
assign (resid  38 and name  HB2 ) (resid  39 and name   HN )  3.0  1.2  0.5 ! A.416  at 8.55e+07
assign (resid  38 and name   HN ) (resid  39 and name   HN )  3.0  1.2  0.5 ! A.410  at 1.18e+08
assign (resid  38 and name   HN ) (resid  39 and name   HA )  4.0  2.2  2.0 ! A.305  at 1.81e+07
assign (resid  38 and name   HN ) (resid  40 and name   HN )  4.0  2.2  1.0 ! A.482  at 2.98e+07
assign (resid  38 and name   HN ) (resid  41 and name   HN )  4.0  2.2  1.0 ! A.300  at 4.36e+07
assign (resid  38 and name   HA ) (resid  42 and name   HN )  4.0  2.2  1.0 ! A.331  at 3.13e+07

! I39
assign (resid  39 and name   HB ) (resid  39 and name   HN )  2.5  0.7  0.4 ! A.415  at 3.42e+08
assign (resid  39 and name   HN ) (resid  40 and name   HN )  3.0  1.2  0.5 ! A.412  at 1.24e+08
assign (resid  39 and name   HN ) (resid  40 and name  HB1 )  4.0  2.2  2.0 ! A.405  at 1.74e+07
assign (resid  39 and name HG2# ) (resid  40 and name   HN )  3.0  1.2  1.0 ! A.478  at 1.03e+08
assign (resid  39 and name   HA ) (resid  40 and name   HN )  4.0  2.2  1.0 ! A.470  at 4.95e+07
assign (resid  39 and name   HB ) (resid  40 and name   HN )  2.5  0.7  0.4 ! A.476  at 2.42e+08
assign (resid  39 and name   HN ) (resid  41 and name   HN )  4.0  2.2  1.0 ! A.594  at 6.12e+07

! D40
assign (resid  40 and name  HB1 ) (resid  40 and name   HN )  2.5  0.7  0.4 ! A.472  at 4.73e+08
assign (resid  40 and name  HB1 ) (resid  41 and name   HN )  3.0  1.2  0.5 ! A.585  at 1.62e+08
assign (resid  40 and name   HN ) (resid  41 and name   HN )  2.5  0.7  0.4 ! A.595  at 2.10e+08
assign (resid  40 and name   HN ) (resid  41 and name  HB2 )  4.0  2.2  1.0 ! A.474  at 5.83e+07
assign (resid  40 and name   HN ) (resid  42 and name   HN )  4.0  2.2  1.0 ! A.337  at 2.67e+07
assign (resid  40 and name   HA ) (resid  43 and name   HN )  4.0  2.2  1.0 ! A.51   at 5.10e+07
assign (resid  40 and name   HA ) (resid  44 and name   HN )  4.0  2.2  1.0 ! A.185  at 4.50e+07

! E41
assign (resid  41 and name  HB2 ) (resid  41 and name   HN )  2.5  0.7  0.4 ! A.583  at 4.47e+08
assign (resid  41 and name   HN ) (resid  42 and name   HN )  2.5  0.7  0.4 ! A.593  at 1.86e+08
assign (resid  41 and name   HN ) (resid  42 and name  HB1 )  4.0  2.2  1.0 ! A.586  at 2.92e+07
assign (resid  41 and name  HB2 ) (resid  42 and name   HN )  3.0  1.2  0.5 ! A.336  at 1.67e+08
assign (resid  41 and name   HA ) (resid  42 and name   HN )  3.0  1.2  0.5 ! A.332  at 7.08e+07
assign (resid  41 and name  HB2 ) (resid  45 and name   HN )  4.0  2.2  2.0 ! A.556  at 1.98e+07

! F42
assign (resid  42 and name  HB2 ) (resid  42 and name   HN )  3.0  1.2  0.5 ! A.335  at 1.63e+08
assign (resid  42 and name  HB1 ) (resid  42 and name   HN )  3.0  1.2  0.5 ! A.334  at 1.60e+08
assign (resid  42 and name  HD# ) (resid  42 and name   HN )  4.0  2.2  1.0 ! A.330  at 6.53e+07 (widened)
assign (resid  42 and name   HN ) (resid  43 and name   HN )  3.0  1.2  0.5 ! A.340  at 1.26e+08
assign (resid  42 and name  HB2 ) (resid  43 and name   HN )  3.0  1.2  0.5 ! A.49   at 8.09e+07
assign (resid  42 and name   HA ) (resid  43 and name   HN )  4.0  2.2  1.0 ! A.50   at 4.63e+07
assign (resid  42 and name  HD# ) (resid  43 and name   HN )  4.0  2.2  1.0 ! A.52   at 5.78e+07
assign (resid  42 and name   HN ) (resid  44 and name   HN )  3.0  1.2  0.5 ! A.194  at 9.59e+07
assign (resid  42 and name   HA ) (resid  45 and name   HN )  4.0  2.2  1.0 ! A.559  at 3.30e+07
assign (resid  42 and name   HN ) (resid  45 and name  HB2 )  4.0  2.2  2.0 ! A.343  at 1.63e+07

! V43
assign (resid  43 and name HG1# ) (resid  43 and name   HN )  3.0  1.2  1.0 ! A.46   at 1.44e+08
assign (resid  43 and name HG2# ) (resid  43 and name   HN )  2.5  0.7  0.9 ! A.47   at 1.96e+08
assign (resid  43 and name   HB ) (resid  43 and name   HN )  3.0  1.2  0.5 ! A.48   at 1.70e+08
assign (resid  43 and name   HN ) (resid  44 and name   HN )  3.0  1.2  0.5 ! A.53   at 1.04e+08
assign (resid  43 and name HG1# ) (resid  44 and name   HN )  3.0  1.2  1.0 ! A.191  at 8.07e+07
assign (resid  43 and name   HB ) (resid  44 and name   HN )  3.0  1.2  0.5 ! A.187  at 1.19e+08
assign (resid  43 and name   HA ) (resid  44 and name   HN )  4.0  2.2  1.0 ! A.182  at 4.91e+07
assign (resid  43 and name HG2# ) (resid  44 and name   HN )  3.0  1.2  1.0 ! A.190  at 9.90e+07
assign (resid  43 and name   HA ) (resid  45 and name   HN )  4.0  2.2  2.0 ! A.558  at 1.54e+07
assign (resid  43 and name   HA ) (resid  46 and name   HN )  4.0  2.2  1.0 ! A.121  at 5.29e+07
assign (resid  43 and name   HA ) (resid  47 and name   HN )  4.0  2.2  2.0 ! A.71   at 1.74e+07
assign (resid  43 and name HG2# ) (resid  95 and name   HN )  4.0  2.2  1.5 ! A.153  at 5.32e+07
assign (resid  43 and name HG1# ) (resid  95 and name   HN )  3.0  1.2  1.0 ! A.154  at 8.00e+07

! S44
assign (resid  44 and name   HN ) (resid  45 and name   HN )  3.0  1.2  0.5 ! A.561  at 1.34e+08
assign (resid  44 and name   HN ) (resid  45 and name  HB2 )  4.0  2.2  2.0 ! A.189  at 2.00e+07
assign (resid  44 and name   HN ) (resid  45 and name  HG1 )  4.0  2.2  1.0 ! A.188  at 2.38e+07 (renamed)
assign (resid  44 and name   HN ) (resid  46 and name   HN )  4.0  2.2  2.0 ! A.129  at 1.68e+07

! K45
assign (resid  45 and name  HE# ) (resid  45 and name   HN )  4.0  2.2  2.5 ! A.557  at 1.89e+07
assign (resid  45 and name  HB2 ) (resid  45 and name   HN )  2.5  0.7  0.4 ! A.552  at 1.95e+08
assign (resid  45 and name  HG2 ) (resid  45 and name   HN )  3.0  1.2  0.5 ! A.554  at 1.03e+08
assign (resid  45 and name  HG1 ) (resid  45 and name   HN )  2.5  0.7  0.4 ! A.553  at 2.36e+08
assign (resid  45 and name  HB1 ) (resid  46 and name   HN )  3.0  1.2  0.5 ! A.123  at 8.33e+07
assign (resid  45 and name   HA ) (resid  46 and name   HN )  4.0  2.2  1.0 ! A.119  at 6.14e+07
assign (resid  45 and name  HB2 ) (resid  46 and name   HN )  3.0  1.2  0.5 ! A.122  at 8.45e+07
assign (resid  45 and name   HN ) (resid  46 and name   HN )  3.0  1.2  0.5 ! A.128  at 1.31e+08
assign (resid  45 and name  HG2 ) (resid  46 and name   HN )  4.0  2.2  1.0 ! A.124  at 4.18e+07
assign (resid  45 and name   HN ) (resid  46 and name  HB# )  4.0  2.2  1.5 ! A.555  at 4.21e+07
assign (resid  45 and name   HN ) (resid  47 and name   HN )  4.0  2.2  2.0 ! A.76   at 1.43e+07

! A46
assign (resid  46 and name  HB# ) (resid  46 and name   HN )  2.5  0.7  0.9 ! A.125  at 2.83e+08
assign (resid  46 and name  HB# ) (resid  47 and name   HN )  3.0  1.2  1.0 ! A.74   at 1.20e+08
assign (resid  46 and name   HA ) (resid  47 and name   HN )  4.0  2.2  1.0 ! A.70   at 2.95e+07
assign (resid  46 and name   HA ) (resid  49 and name   HN )  4.0  2.2  1.0 ! A.637  at 2.62e+07
assign (resid  46 and name   HA ) (resid  51 and name   HN )  4.0  2.2  2.0 ! A.234  at 1.83e+07
assign (resid  46 and name  HB# ) (resid  51 and name   HN )  4.0  2.2  1.5 ! A.238  at 3.47e+07
assign (resid  46 and name   HN ) (resid  95 and name HD1# )  4.0  2.2  1.5 ! A.127  at 3.75e+07

! F47
assign (resid  47 and name  HB# ) (resid  47 and name   HN )  3.0  1.2  1.0 ! A.73   at 1.59e+08
assign (resid  47 and name  HD# ) (resid  47 and name   HN )  4.0  2.2  1.0 ! A.67   at 3.00e+07
assign (resid  47 and name  HD# ) (resid  48 and name   HN )  4.0  2.2  1.0 ! A.444  at 2.63e+07
assign (resid  47 and name  HB# ) (resid  48 and name   HN )  3.0  1.2  1.0 ! A.442  at 6.51e+07
assign (resid  47 and name   HN ) (resid  48 and name   HN )  3.0  1.2  0.5 ! A.449  at 7.17e+07
assign (resid  47 and name   HN ) (resid  48 and name  HB# )  4.0  2.2  1.5 ! A.72   at 2.78e+07
assign (resid  47 and name   HN ) (resid  49 and name   HN )  4.0  2.2  2.0 ! A.642  at 2.25e+07
assign (resid  47 and name   HN ) (resid  95 and name HD1# )  4.0  2.2  1.5 ! A.75   at 5.86e+07

! F48
assign (resid  48 and name  HD# ) (resid  48 and name   HN )  4.0  2.2  2.0 ! A.445  at 1.83e+07
assign (resid  48 and name  HB# ) (resid  48 and name   HN )  2.5  0.7  0.9 ! A.441  at 2.18e+08
assign (resid  48 and name   HN ) (resid  49 and name   HN )  3.0  1.2  0.5 ! A.448  at 8.90e+07
assign (resid  48 and name  HB# ) (resid  49 and name   HN )  3.0  1.2  1.0 ! A.636  at 1.05e+08
assign (resid  48 and name   HN ) (resid  50 and name   HN )  4.0  2.2  1.0 ! A.696  at 2.87e+07

! A49
assign (resid  49 and name  HB# ) (resid  49 and name   HN )  2.5  0.7  0.9 ! A.635  at 2.56e+08
assign (resid  49 and name   HN ) (resid  50 and name   HA )  4.0  2.2  2.0 ! A.639  at 1.92e+07
assign (resid  49 and name   HN ) (resid  50 and name   HN )  3.0  1.2  0.5 ! A.640  at 8.92e+07
assign (resid  49 and name   HN ) (resid  51 and name   HN )  4.0  2.2  2.0 ! A.236  at 2.07e+07

! D50
assign (resid  50 and name  HB2 ) (resid  50 and name   HN )  4.0  2.2  1.0 ! A.700  at 5.34e+07
assign (resid  50 and name  HB1 ) (resid  50 and name   HN )  4.0  2.2  1.0 ! A.699  at 4.66e+07
assign (resid  50 and name   HN ) (resid  51 and name   HB )  4.0  2.2  2.0 ! A.714  at 1.57e+07
assign (resid  50 and name   HN ) (resid  51 and name   HN )  4.0  2.2  1.0 ! A.713  at 6.24e+07
assign (resid  50 and name   HA ) (resid  51 and name   HN )  4.0  2.2  1.0 ! A.229  at 5.12e+07

! I51
assign (resid  51 and name HD1# ) (resid  51 and name   HN )  4.0  2.2  1.5 ! A.237  at 3.82e+07
assign (resid  51 and name HG11 ) (resid  51 and name   HN )  3.0  1.2  0.5 ! A.225  at 1.19e+08
assign (resid  51 and name   HB ) (resid  51 and name   HN )  3.0  1.2  0.5 ! A.224  at 8.44e+07
assign (resid  51 and name HG2# ) (resid  51 and name   HN )  3.0  1.2  1.0 ! A.227  at 7.18e+07
assign (resid  51 and name HG12 ) (resid  51 and name   HN )  4.0  2.2  1.0 ! A.226  at 4.76e+07
assign (resid  51 and name HD1# ) (resid  52 and name   HN )  4.0  2.2  1.5 ! A.329  at 2.52e+07
assign (resid  51 and name   HA ) (resid  52 and name   HN )  2.5  0.7  0.4 ! A.323  at 2.55e+08
assign (resid  51 and name HG2# ) (resid  52 and name   HN )  3.0  1.2  1.0 ! A.319  at 1.25e+08
assign (resid  51 and name   HN ) (resid  52 and name   HN )  4.0  2.2  1.0 ! A.324  at 2.80e+07
assign (resid  51 and name   HN ) (resid  52 and name   HA )  4.0  2.2  1.0 ! A.233  at 3.88e+07
assign (resid  51 and name HG2# ) (resid  55 and name   HN )  4.0  2.2  1.5 ! A.580  at 4.70e+07
assign (resid  51 and name HD1# ) (resid  56 and name   HN )  4.0  2.2  1.5 ! A.565  at 3.02e+07

! S52
assign (resid  52 and name  HB2 ) (resid  52 and name   HN )  4.0  2.2  1.0 ! A.322  at 5.32e+07
assign (resid  52 and name  HB2 ) (resid  53 and name   HN )  4.0  2.2  1.0 ! A.30   at 3.44e+07
assign (resid  52 and name  HB1 ) (resid  53 and name   HN )  4.0  2.2  1.0 ! A.28   at 4.41e+07
assign (resid  52 and name   HA ) (resid  53 and name   HN )  2.5  0.7  0.4 ! A.29   at 3.45e+08
assign (resid  52 and name   HA ) (resid  55 and name   HN )  4.0  2.2  1.0 ! A.592  at 1.41e+08 (widened)
assign (resid  52 and name  HB1 ) (resid  55 and name   HN )  3.0  1.2  0.5 ! A.590  at 1.31e+08

! V53
assign (resid  53 and name HG2# ) (resid  53 and name   HN )  3.0  1.2  1.0 ! A.33   at 9.98e+07
assign (resid  53 and name HG1# ) (resid  53 and name   HN )  4.0  2.2  1.5 ! A.34   at 5.15e+07
assign (resid  53 and name   HA ) (resid  56 and name   HN )  4.0  2.2  1.0 ! A.587  at 2.55e+07

! S54
assign (resid  54 and name   HA ) (resid  56 and name   HN )  4.0  2.2  1.0 ! A.575  at 3.94e+07

! Q55
assign (resid  55 and name  HB1 ) (resid  55 and name   HN )  3.0  1.2  0.5 ! A.582  at 1.09e+08
assign (resid  55 and name  HB2 ) (resid  55 and name   HN )  2.5  0.7  0.4 ! A.584  at 2.65e+08
assign (resid  55 and name  HB1 ) (resid  56 and name   HN )  4.0  2.2  1.0 ! A.570  at 5.92e+07
assign (resid  55 and name   HA ) (resid  56 and name   HN )  4.0  2.2  1.0 ! A.576  at 5.63e+07
assign (resid  55 and name  HB2 ) (resid  56 and name   HN )  3.0  1.2  0.5 ! A.572  at 7.83e+07
assign (resid  55 and name   HN ) (resid  57 and name  HB2 )  4.0  2.2  1.0 ! A.581  at 3.75e+07
assign (resid  55 and name   HA ) (resid  58 and name   HN )  3.0  1.2  0.5 ! A.735  at 8.75e+07
assign (resid  55 and name   HA ) (resid  59 and name   HN )  4.0  2.2  1.0 ! A.600  at 2.31e+07

! V56
assign (resid  56 and name HG1# ) (resid  56 and name   HN )  3.0  1.2  1.0 ! A.563  at 1.38e+08
assign (resid  56 and name   HB ) (resid  56 and name   HN )  2.5  0.7  0.4 ! A.571  at 2.48e+08
assign (resid  56 and name HG2# ) (resid  56 and name   HN )  2.5  0.7  0.9 ! A.566  at 3.02e+08
assign (resid  56 and name   HN ) (resid  57 and name   HG )  4.0  2.2  1.0 ! A.568  at 3.38e+07
assign (resid  56 and name   HN ) (resid  57 and name  HB2 )  4.0  2.2  1.0 ! A.569  at 4.46e+07
assign (resid  56 and name   HN ) (resid  57 and name   HN )  3.0  1.2  0.5 ! A.578  at 1.55e+08
assign (resid  56 and name   HB ) (resid  57 and name   HN )  3.0  1.2  0.5 ! A.459  at 9.06e+07
assign (resid  56 and name HG2# ) (resid  57 and name   HN )  4.0  2.2  1.5 ! A.456  at 5.01e+07
assign (resid  56 and name   HA ) (resid  57 and name   HN )  4.0  2.2  1.0 ! A.460  at 2.93e+07
assign (resid  56 and name   HA ) (resid  58 and name   HN )  4.0  2.2  2.0 ! A.733  at 1.76e+07
assign (resid  56 and name   HA ) (resid  59 and name   HN )  3.0  1.2  0.5 ! A.603  at 7.41e+07
assign (resid  56 and name   HA ) (resid  60 and name   HN )  4.0  2.2  1.0 ! A.676  at 3.68e+07

! L57
assign (resid  57 and name HD2# ) (resid  57 and name   HN )  3.0  1.2  1.0 ! A.477  at 6.82e+07
assign (resid  57 and name  HB2 ) (resid  57 and name   HN )  3.0  1.2  0.5 ! A.458  at 1.09e+08
assign (resid  57 and name  HB1 ) (resid  57 and name   HN )  3.0  1.2  0.5 ! A.457  at 1.38e+08
assign (resid  57 and name   HN ) (resid  58 and name   HN )  3.0  1.2  0.5 ! A.454  at 9.21e+07
assign (resid  57 and name HD2# ) (resid  58 and name   HN )  3.0  1.2  1.0 ! A.730  at 7.61e+07
assign (resid  57 and name  HB2 ) (resid  58 and name   HN )  3.0  1.2  0.5 ! A.727  at 1.32e+08
assign (resid  57 and name  HB1 ) (resid  58 and name   HN )  3.0  1.2  0.5 ! A.728  at 1.01e+08
assign (resid  57 and name   HN ) (resid  59 and name   HN )  4.0  2.2  1.0 ! A.597  at 3.42e+07
assign (resid  57 and name   HA ) (resid  60 and name   HN )  4.0  2.2  1.0 ! A.678  at 4.22e+07
assign (resid  57 and name   HN ) (resid  60 and name   HN )  4.0  2.2  1.0 ! A.683  at 3.17e+07

! E58
assign (resid  58 and name  HG1 ) (resid  58 and name   HN )  3.0  1.2  0.5 ! A.732  at 1.49e+08
assign (resid  58 and name   HN ) (resid  59 and name   HN )  3.0  1.2  0.5 ! A.599  at 1.52e+08
assign (resid  58 and name   HA ) (resid  59 and name   HN )  4.0  2.2  1.0 ! A.601  at 5.97e+07
assign (resid  58 and name  HG1 ) (resid  59 and name   HN )  4.0  2.2  1.0 ! A.606  at 2.82e+07
assign (resid  58 and name  HB2 ) (resid  59 and name   HN )  3.0  1.2  0.5 ! A.607  at 1.27e+08
assign (resid  58 and name   HN ) (resid  59 and name HG12 )  4.0  2.2  2.0 ! A.729  at 2.28e+07
assign (resid  58 and name   HN ) (resid  60 and name   HN )  3.0  1.2  0.5 ! A.737  at 9.63e+07
assign (resid  58 and name   HA ) (resid  61 and name   HN )  3.0  1.2  0.5 ! A.98   at 7.09e+07
assign (resid  58 and name   HN ) (resid  61 and name HG2# )  4.0  2.2  2.5 ! A.731  at 2.25e+07
assign (resid  58 and name   HA ) (resid  62 and name   HN )  4.0  2.2  1.0 ! A.429  at 4.04e+07

! I59
assign (resid  59 and name HG12 ) (resid  59 and name   HN )  3.0  1.2  0.5 ! A.610  at 1.22e+08
assign (resid  59 and name HG2# ) (resid  59 and name   HN )  3.0  1.2  1.0 ! A.609  at 1.78e+08
assign (resid  59 and name   HB ) (resid  59 and name   HN )  2.5  0.7  0.4 ! A.608  at 3.09e+08
assign (resid  59 and name HG12 ) (resid  60 and name   HN )  4.0  2.2  1.0 ! A.673  at 2.48e+07
assign (resid  59 and name   HN ) (resid  60 and name   HN )  3.0  1.2  0.5 ! A.681  at 7.98e+07
assign (resid  59 and name   HB ) (resid  60 and name   HN )  3.0  1.2  0.5 ! A.672  at 1.02e+08
assign (resid  59 and name   HA ) (resid  60 and name   HN )  4.0  2.2  1.0 ! A.677  at 3.68e+07
assign (resid  59 and name   HN ) (resid  60 and name  HB2 )  4.0  2.2  2.0 ! A.605  at 2.03e+07
assign (resid  59 and name   HN ) (resid  60 and name  HB1 )  4.0  2.2  2.0 ! A.604  at 2.01e+07
assign (resid  59 and name   HN ) (resid  61 and name   HN )  4.0  2.2  2.0 ! A.598  at 1.74e+07
assign (resid  59 and name HG2# ) (resid  61 and name   HN )  4.0  2.2  1.5 ! A.107  at 2.43e+07
assign (resid  59 and name   HB ) (resid  61 and name   HN )  4.0  2.2  2.0 ! A.103  at 1.81e+07
assign (resid  59 and name   HA ) (resid  62 and name   HN )  4.0  2.2  1.0 ! A.430  at 3.80e+07
assign (resid  59 and name HG2# ) (resid  62 and name   HN )  4.0  2.2  2.5 ! A.438  at 2.26e+07
assign (resid  59 and name   HA ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.530  at 2.76e+07

! H60
assign (resid  60 and name  HB1 ) (resid  60 and name   HN )  3.0  1.2  0.5 ! A.675  at 1.24e+08
assign (resid  60 and name  HB2 ) (resid  60 and name   HN )  3.0  1.2  0.5 ! A.670  at 1.32e+08
assign (resid  60 and name   HN ) (resid  61 and name   HN )  3.0  1.2  0.5 ! A.682  at 7.78e+07
assign (resid  60 and name  HB1 ) (resid  61 and name   HN )  3.0  1.2  0.5 ! A.101  at 8.44e+07
assign (resid  60 and name  HB2 ) (resid  61 and name   HN )  3.0  1.2  0.5 ! A.105  at 6.82e+07
assign (resid  60 and name  HD2 ) (resid  61 and name   HN )  4.0  2.2  1.0 ! A.93   at 3.03e+07
assign (resid  60 and name   HA ) (resid  61 and name   HN )  4.0  2.2  1.0 ! A.97   at 5.15e+07
assign (resid  60 and name  HB2 ) (resid  63 and name   HN )  4.0  2.2  2.0 ! A.528  at 1.65e+07
assign (resid  60 and name  HB2 ) (resid  88 and name   HN )  4.0  2.2  2.0 ! A.278  at 1.71e+07
assign (resid  60 and name  HE1 ) (resid  88 and name   HN )  4.0  2.2  2.0 ! A.275  at 2.16e+07

! V61
assign (resid  61 and name HG2# ) (resid  61 and name   HN )  2.5  0.7  0.9 ! A.106  at 2.30e+08
assign (resid  61 and name   HB ) (resid  61 and name   HN )  2.5  0.7  0.4 ! A.104  at 2.38e+08
assign (resid  61 and name HG1# ) (resid  61 and name   HN )  3.0  1.2  1.0 ! A.100  at 1.01e+08
assign (resid  61 and name HG2# ) (resid  62 and name   HN )  3.0  1.2  1.0 ! A.436  at 6.99e+07
assign (resid  61 and name HG1# ) (resid  62 and name   HN )  3.0  1.2  1.0 ! A.437  at 8.33e+07
assign (resid  61 and name   HN ) (resid  62 and name   HN )  3.0  1.2  0.5 ! A.440  at 1.32e+08
assign (resid  61 and name   HA ) (resid  62 and name   HN )  4.0  2.2  1.0 ! A.431  at 4.75e+07
assign (resid  61 and name   HA ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.529  at 2.41e+07
assign (resid  61 and name   HA ) (resid  64 and name   HN )  4.0  2.2  1.0 ! A.82   at 6.05e+07
assign (resid  61 and name   HA ) (resid  65 and name   HN )  4.0  2.2  1.0 ! A.351  at 2.50e+07

! E62
assign (resid  62 and name  HG1 ) (resid  62 and name   HN )  4.0  2.2  1.0 ! A.433  at 1.05e+08 (widened1)
assign (resid  62 and name  HG1 ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.523  at 2.61e+07
assign (resid  62 and name  HB1 ) (resid  63 and name   HN )  2.5  0.7  0.4 ! A.524  at 1.96e+08
assign (resid  62 and name   HN ) (resid  63 and name   HN )  2.5  0.7  0.4 ! A.532  at 2.02e+08
assign (resid  62 and name   HN ) (resid  63 and name  HB# )  4.0  2.2  1.5 ! A.435  at 2.80e+07
assign (resid  62 and name   HN ) (resid  64 and name   HN )  4.0  2.2  1.0 ! A.87   at 2.35e+07
assign (resid  62 and name   HA ) (resid  65 and name   HN )  3.0  1.2  0.5 ! A.352  at 1.13e+08
assign (resid  62 and name   HN ) (resid  65 and name  HB2 )  4.0  2.2  2.0 ! A.432  at 1.66e+07

! L63
assign (resid  63 and name   HG ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.527  at 4.20e+07
assign (resid  63 and name  HB# ) (resid  63 and name   HN )  2.5  0.7  0.9 ! A.525  at 4.19e+08
assign (resid  63 and name   HN ) (resid  64 and name   HN )  2.5  0.7  0.4 ! A.533  at 1.88e+08
assign (resid  63 and name   HG ) (resid  64 and name   HN )  4.0  2.2  1.0 ! A.89   at 3.47e+07
assign (resid  63 and name HD2# ) (resid  64 and name   HN )  4.0  2.2  1.5 ! A.85   at 3.67e+07
assign (resid  63 and name  HB# ) (resid  65 and name   HN )  4.0  2.2  2.5 ! A.358  at 2.03e+07
assign (resid  63 and name   HN ) (resid  65 and name   HN )  3.0  1.2  0.5 ! A.531  at 6.99e+07
assign (resid  63 and name HD1# ) (resid  67 and name   HN )  4.0  2.2  1.5 ! A.139  at 3.14e+07

! M64
assign (resid  64 and name  HG1 ) (resid  64 and name   HN )  3.0  1.2  0.5 ! A.83   at 7.53e+07
assign (resid  64 and name  HB2 ) (resid  64 and name   HN )  3.0  1.2  0.5 ! A.84   at 1.16e+08
assign (resid  64 and name   HN ) (resid  65 and name   HN )  3.0  1.2  0.5 ! A.354  at 1.40e+08
assign (resid  64 and name  HB1 ) (resid  65 and name   HN )  4.0  2.2  1.0 ! A.356  at 3.71e+07
assign (resid  64 and name  HB2 ) (resid  65 and name   HN )  3.0  1.2  0.5 ! A.355  at 7.37e+07
assign (resid  64 and name  HB1 ) (resid  66 and name   HN )  4.0  2.2  2.0 ! A.814  at 1.47e+07
assign (resid  64 and name   HN ) (resid  81 and name HD1# )  4.0  2.2  2.5 ! A.91   at 1.54e+07

! D65
assign (resid  65 and name  HB1 ) (resid  65 and name   HN )  2.5  0.7  0.4 ! A.350  at 3.65e+08
assign (resid  65 and name  HB2 ) (resid  66 and name   HN )  3.0  1.2  0.5 ! A.805  at 1.41e+08
assign (resid  65 and name   HN ) (resid  66 and name   HN )  3.0  1.2  0.5 ! A.810  at 1.25e+08

! T66
assign (resid  66 and name   HB ) (resid  66 and name   HN )  2.5  0.7  0.4 ! A.808  at 1.92e+08
assign (resid  66 and name HG2# ) (resid  66 and name   HN )  3.0  1.2  1.0 ! A.806  at 9.52e+07
assign (resid  66 and name   HN ) (resid  67 and name   HN )  3.0  1.2  0.5 ! A.131  at 1.20e+08
assign (resid  66 and name HG2# ) (resid  67 and name   HN )  4.0  2.2  1.5 ! A.137  at 6.07e+07
assign (resid  66 and name   HB ) (resid  67 and name   HN )  3.0  1.2  0.5 ! A.133  at 1.63e+08
assign (resid  66 and name   HA ) (resid  69 and name   HN )  3.0  1.2  0.5 ! A.644  at 8.61e+07
assign (resid  66 and name   HN ) (resid  69 and name  HG1 )  4.0  2.2  2.0 ! A.815  at 1.48e+07

! F67
assign (resid  67 and name  HD# ) (resid  67 and name   HN )  4.0  2.2  1.0 ! A.130  at 4.33e+07
assign (resid  67 and name  HB2 ) (resid  67 and name   HN )  3.0  1.2  0.5 ! A.135  at 1.71e+08
assign (resid  67 and name  HB1 ) (resid  67 and name   HN )  3.0  1.2  0.5 ! A.136  at 1.27e+08
assign (resid  67 and name   HN ) (resid  81 and name HD1# )  4.0  2.2  1.5 ! A.138  at 2.90e+07

! S68

! K69
assign (resid  69 and name  HB# ) (resid  69 and name   HN )  3.0  1.2  1.0 ! A.645  at 9.72e+07
assign (resid  69 and name  HG1 ) (resid  69 and name   HN )  4.0  2.2  1.0 ! A.646  at 5.60e+07
assign (resid  69 and name  HG2 ) (resid  69 and name   HN )  4.0  2.2  2.0 ! A.647  at 2.20e+07

! Q70
assign (resid  70 and name  HG1 ) (resid  70 and name   HN )  4.0  2.2  1.0 ! A.633  at 2.73e+07
assign (resid  70 and name  HB# ) (resid  70 and name   HN )  3.0  1.2  1.0 ! A.634  at 1.31e+08
assign (resid  70 and name  HB# ) (resid  71 and name   HN )  4.0  2.2  1.5 ! A.400  at 4.88e+07
assign (resid  70 and name   HN ) (resid  71 and name   HN )  4.0  2.2  2.0 ! A.399  at 1.68e+07
assign (resid  70 and name HE22 ) (resid  74 and name  HG1 )  4.0  2.2  2.0 ! A.253  at -1.97e+07

! L71
assign (resid  71 and name HD2# ) (resid  71 and name   HN )  4.0  2.2  1.5 ! A.401  at 5.53e+07
assign (resid  71 and name  HB2 ) (resid  71 and name   HN )  3.0  1.2  0.5 ! A.398  at 1.18e+08
assign (resid  71 and name  HB1 ) (resid  71 and name   HN )  4.0  2.2  1.0 ! A.397  at 4.47e+07
assign (resid  71 and name   HN ) (resid  72 and name   HN )  4.0  2.2  1.0 ! A.170  at 2.63e+07
assign (resid  71 and name HD2# ) (resid  72 and name   HN )  4.0  2.2  1.5 ! A.169  at 2.63e+07
assign (resid  71 and name  HB1 ) (resid  72 and name   HN )  4.0  2.2  1.0 ! A.168  at 5.58e+07
assign (resid  71 and name   HA ) (resid  72 and name   HN )  4.0  2.2  1.0 ! A.165  at 4.92e+07
assign (resid  71 and name   HN ) (resid  74 and name  HG1 )  4.0  2.2  2.0 ! A.402  at 2.03e+07
assign (resid  71 and name   HG ) (resid  80 and name   HN )  4.0  2.2  2.0 ! A.689  at 1.99e+07
assign (resid  71 and name   HG ) (resid  81 and name   HN )  3.0  1.2  0.5 ! A.650  at 1.12e+08

! K72
assign (resid  72 and name  HG1 ) (resid  72 and name   HN )  4.0  2.2  1.0 ! A.167  at 6.27e+07
assign (resid  72 and name  HB# ) (resid  72 and name   HN )  3.0  1.2  1.0 ! A.166  at 1.80e+08
assign (resid  72 and name   HN ) (resid  73 and name   HN )  4.0  2.2  1.0 ! A.551  at 3.66e+07

! L73
assign (resid  73 and name  HB2 ) (resid  73 and name   HN )  2.5  0.7  0.4 ! A.548  at 1.87e+08
assign (resid  73 and name  HB1 ) (resid  73 and name   HN )  3.0  1.2  0.5 ! A.547  at 1.16e+08
assign (resid  73 and name   HN ) (resid  74 and name  HG2 )  4.0  2.2  1.0 ! A.549  at 2.78e+07

! E74
assign (resid  74 and name  HB2 ) (resid  74 and name   HN )  3.0  1.2  0.5 ! A.763  at 7.76e+07
assign (resid  74 and name  HB1 ) (resid  74 and name   HN )  4.0  2.2  1.0 ! A.762  at 4.47e+07
assign (resid  74 and name  HG1 ) (resid  74 and name   HN )  4.0  2.2  1.0 ! A.761  at 5.22e+07

! G75
assign (resid  75 and name  HA1 ) (resid  76 and name   HN )  4.0  2.2  1.0 ! A.461  at 4.10e+07

! R76
assign (resid  76 and name  HD# ) (resid  76 and name   HN )  4.0  2.2  2.5 ! A.471  at 2.10e+07

! S77

! E78
assign (resid  78 and name   HA ) (resid  79 and name   HN )  4.0  2.2  1.0 ! A.345  at 4.90e+07

! D79
assign (resid  79 and name  HB2 ) (resid  79 and name   HN )  4.0  2.2  1.0 ! A.344  at 5.81e+07
assign (resid  79 and name   HN ) (resid  80 and name   HN )  4.0  2.2  2.0 ! A.694  at 1.86e+07
assign (resid  79 and name   HA ) (resid  80 and name   HN )  3.0  1.2  0.5 ! A.684  at 6.46e+07
assign (resid  79 and name  HB2 ) (resid  80 and name   HN )  4.0  2.2  1.0 ! A.686  at 3.74e+07

! I80
assign (resid  80 and name HG11 ) (resid  80 and name   HN )  4.0  2.2  1.0 ! A.690  at 3.69e+07
assign (resid  80 and name HG12 ) (resid  80 and name   HN )  4.0  2.2  1.0 ! A.691  at 6.96e+07 (widened1)
assign (resid  80 and name   HB ) (resid  80 and name   HN )  3.0  1.2  0.5 ! A.688  at 1.34e+08
assign (resid  80 and name HG2# ) (resid  80 and name   HN )  3.0  1.2  1.0 ! A.692  at 1.63e+08
assign (resid  80 and name   HA ) (resid  81 and name   HN )  4.0  2.2  1.0 ! A.651  at 4.28e+07
assign (resid  80 and name HG2# ) (resid  81 and name   HN )  4.0  2.2  1.5 ! A.649  at 3.87e+07
assign (resid  80 and name   HN ) (resid  81 and name   HN )  4.0  2.2  1.0 ! A.693  at 5.55e+07
assign (resid  80 and name HG12 ) (resid  83 and name   HN )  4.0  2.2  1.0 ! A.618  at 4.02e+07

! L81
assign (resid  81 and name HD1# ) (resid  81 and name   HN )  4.0  2.2  1.5 ! A.648  at 4.97e+07

! L82
assign (resid  82 and name  HB# ) (resid  82 and name   HN )  3.0  1.2  1.0 ! A.611  at 1.49e+08
assign (resid  82 and name HD2# ) (resid  83 and name   HN )  4.0  2.2  1.5 ! A.619  at 3.67e+07
assign (resid  82 and name  HB# ) (resid  83 and name   HN )  4.0  2.2  1.5 ! A.617  at 5.74e+07
assign (resid  82 and name HD1# ) (resid  83 and name   HN )  4.0  2.2  1.5 ! A.620  at 2.44e+07

! D83
assign (resid  83 and name  HB2 ) (resid  83 and name   HN )  3.0  1.2  0.5 ! A.616  at 7.03e+07
assign (resid  83 and name  HB1 ) (resid  83 and name   HN )  3.0  1.2  0.5 ! A.615  at 9.01e+07
assign (resid  83 and name  HB2 ) (resid  86 and name   HN )  4.0  2.2  2.0 ! A.770  at 1.69e+07

! Y84
assign (resid  84 and name  HB2 ) (resid  85 and name   HN )  4.0  2.2  2.0 ! A.404  at 2.24e+07
assign (resid  84 and name   HA ) (resid  86 and name   HN )  4.0  2.2  1.0 ! A.768  at 2.53e+07
assign (resid  84 and name  HD# ) (resid  87 and name   HN )  4.0  2.2  2.0 ! A.267  at 2.05e+07
assign (resid  84 and name   HA ) (resid  87 and name   HN )  3.0  1.2  0.5 ! A.265  at 7.35e+07

! R85
assign (resid  85 and name  HG# ) (resid  86 and name   HN )  4.0  2.2  1.5 ! A.773  at 2.82e+07
assign (resid  85 and name   HN ) (resid  86 and name   HN )  4.0  2.2  1.0 ! A.765  at 4.04e+07

! L86
assign (resid  86 and name HD1# ) (resid  86 and name   HN )  4.0  2.2  1.5 ! A.774  at 4.76e+07
assign (resid  86 and name HD2# ) (resid  86 and name   HN )  4.0  2.2  1.5 ! A.775  at 4.76e+07
assign (resid  86 and name  HG ) (resid  86 and name   HN )  2.5  0.7  0.4 ! A.772  at 1.99e+08
assign (resid  86 and name  HB2 ) (resid  86 and name   HN )  3.0  1.2  0.5 ! A.771  at 1.15e+08
assign (resid  86 and name   HN ) (resid  87 and name   HN )  3.0  1.2  0.5 ! A.764  at 6.98e+07
assign (resid  86 and name HD1# ) (resid  87 and name   HN )  4.0  2.2  2.5 ! A.270  at 2.25e+07
assign (resid  86 and name  HB1 ) (resid  87 and name   HN )  3.0  1.2  0.5 ! A.260  at 7.45e+07
assign (resid  86 and name  HB2 ) (resid  87 and name   HN )  4.0  2.2  1.0 ! A.261  at 6.19e+07
assign (resid  86 and name   HN ) (resid  89 and name HD1# )  4.0  2.2  1.5 ! A.777  at 2.57e+07
assign (resid  86 and name   HA ) (resid  90 and name   HN )  4.0  2.2  1.0 ! A.628  at 2.99e+07

! T87
assign (resid  87 and name   HB ) (resid  87 and name   HN )  3.0  1.2  0.5 ! A.263  at 1.43e+08
assign (resid  87 and name HG2# ) (resid  87 and name   HN )  4.0  2.2  1.5 ! A.272  at 4.78e+07
assign (resid  87 and name   HN ) (resid  88 and name   HN )  4.0  2.2  1.0 ! A.274  at 6.30e+07
assign (resid  87 and name   HA ) (resid  88 and name   HN )  4.0  2.2  2.0 ! A.279  at 1.51e+07
assign (resid  87 and name   HN ) (resid  88 and name  HB2 )  4.0  2.2  1.0 ! A.271  at 2.47e+07

! L88
assign (resid  88 and name  HB1 ) (resid  88 and name   HN )  3.0  1.2  0.5 ! A.281  at 9.06e+07
assign (resid  88 and name  HB2 ) (resid  88 and name   HN )  3.0  1.2  0.5 ! A.282  at 9.55e+07
assign (resid  88 and name HD1# ) (resid  88 and name   HN )  4.0  2.2  1.5 ! A.284  at 3.48e+07
assign (resid  88 and name   HG ) (resid  88 and name   HN )  4.0  2.2  1.0 ! A.283  at 2.68e+07
assign (resid  88 and name   HN ) (resid  89 and name   HN )  4.0  2.2  1.0 ! A.276  at 4.25e+07
assign (resid  88 and name  HB1 ) (resid  89 and name   HN )  4.0  2.2  1.0 ! A.717  at 5.01e+07
assign (resid  88 and name  HB2 ) (resid  89 and name   HN )  4.0  2.2  1.0 ! A.719  at 4.33e+07
assign (resid  88 and name   HG ) (resid  89 and name   HN )  4.0  2.2  1.0 ! A.718  at 2.37e+07
assign (resid  88 and name HD1# ) (resid  89 and name   HN )  4.0  2.2  1.5 ! A.722  at 2.67e+07
assign (resid  88 and name   HA ) (resid  91 and name   HN )  4.0  2.2  1.0 ! A.384  at 3.69e+07

! I89
assign (resid  89 and name HG11 ) (resid  89 and name   HN )  2.5  0.7  0.4 ! A.716  at 1.90e+08
assign (resid  89 and name HG12 ) (resid  89 and name   HN )  3.0  1.2  0.5 ! A.721  at 7.11e+07
assign (resid  89 and name   HB ) (resid  90 and name   HN )  3.0  1.2  0.5 ! A.624  at 9.69e+07
assign (resid  89 and name HG2# ) (resid  90 and name   HN )  3.0  1.2  1.0 ! A.626  at 9.67e+07
assign (resid  89 and name   HA ) (resid  90 and name   HN )  4.0  2.2  2.0 ! A.627  at 2.08e+07
assign (resid  89 and name   HA ) (resid  91 and name   HN )  4.0  2.2  2.0 ! A.395  at 1.70e+07
assign (resid  89 and name   HA ) (resid  92 and name   HN )  4.0  2.2  2.0 ! A.57   at 1.95e+07
assign (resid  89 and name   HA ) (resid  93 and name   HN )  4.0  2.2  2.0 ! A.6    at -2.10e+07

! D90
assign (resid  90 and name  HB# ) (resid  90 and name   HN )  2.5  0.7  0.9 ! A.623  at 1.85e+08
assign (resid  90 and name   HN ) (resid  91 and name   HN )  3.0  1.2  0.5 ! A.629  at 8.05e+07
assign (resid  90 and name  HB# ) (resid  91 and name   HN )  3.0  1.2  1.0 ! A.387  at 7.68e+07
assign (resid  90 and name   HA ) (resid  91 and name   HN )  4.0  2.2  1.0 ! A.385  at 2.85e+07
assign (resid  90 and name   HA ) (resid  93 and name   HN )  4.0  2.2  1.0 ! A.7    at -2.77e+07

! V91
assign (resid  91 and name HG2# ) (resid  91 and name   HN )  3.0  1.2  1.0 ! A.389  at 1.72e+08
assign (resid  91 and name HG1# ) (resid  91 and name   HN )  3.0  1.2  1.0 ! A.390  at 1.00e+08
assign (resid  91 and name   HB ) (resid  91 and name   HN )  3.0  1.2  0.5 ! A.388  at 1.50e+08
assign (resid  91 and name   HN ) (resid  92 and name   HN )  3.0  1.2  0.5 ! A.391  at 7.99e+07
assign (resid  91 and name   HB ) (resid  92 and name   HN )  4.0  2.2  1.0 ! A.59   at 5.89e+07
assign (resid  91 and name   HA ) (resid  92 and name   HN )  4.0  2.2  1.0 ! A.56   at 2.32e+07
assign (resid  91 and name HG1# ) (resid  92 and name   HN )  3.0  1.2  1.0 ! A.64   at 1.52e+08
assign (resid  91 and name   HA ) (resid  94 and name   HN )  4.0  2.2  1.0 ! A.817  at 4.34e+07
assign (resid  91 and name   HA ) (resid  95 and name   HN )  4.0  2.2  1.0 ! A.158  at 2.76e+07

! I92
assign (resid  92 and name HG11 ) (resid  92 and name   HN )  3.0  1.2  0.5 ! A.61   at 6.98e+07
assign (resid  92 and name HG12 ) (resid  92 and name   HN )  4.0  2.2  1.0 ! A.63   at 5.43e+07
assign (resid  92 and name HG2# ) (resid  92 and name   HN )  3.0  1.2  1.0 ! A.65   at 1.15e+08
assign (resid  92 and name   HB ) (resid  92 and name   HN )  3.0  1.2  0.5 ! A.60   at 7.92e+07
assign (resid  92 and name   HN ) (resid  93 and name  HB# )  4.0  2.2  1.5 ! A.62   at 2.68e+07
assign (resid  92 and name HG11 ) (resid  93 and name   HN )  4.0  2.2  1.0 ! A.5    at -3.54e+07
assign (resid  92 and name   HN ) (resid  93 and name   HN )  3.0  1.2  0.5 ! A.3    at -6.77e+07
assign (resid  92 and name HG2# ) (resid  93 and name   HN )  3.0  1.2  1.0 ! A.11   at -7.11e+07
assign (resid  92 and name HG12 ) (resid  93 and name   HN )  4.0  2.2  1.0 ! A.10   at -3.14e+07
assign (resid  92 and name   HB ) (resid  93 and name   HN )  4.0  2.2  1.0 ! A.8    at -5.53e+07
assign (resid  92 and name HG2# ) (resid  94 and name   HN )  4.0  2.2  2.5 ! A.821  at 2.25e+07
assign (resid  92 and name   HA ) (resid  95 and name   HN )  3.0  1.2  0.5 ! A.160  at 6.41e+07
assign (resid  92 and name   HA ) (resid  96 and name   HN )  4.0  2.2  1.0 ! A.39   at 3.74e+07

! A93
assign (resid  93 and name  HB# ) (resid  93 and name   HN )  2.5  0.7  0.9 ! A.4    at -2.47e+08
assign (resid  93 and name  HB# ) (resid  94 and name   HN )  3.0  1.2  1.0 ! A.822  at 1.68e+08
assign (resid  93 and name   HN ) (resid  94 and name   HN )  3.0  1.2  0.5 ! A.820  at 1.23e+08
assign (resid  93 and name   HN ) (resid  95 and name   HN )  4.0  2.2  2.0 ! A.78   at -1.55e+07
assign (resid  93 and name   HN ) (resid  96 and name  HB2 )  4.0  2.2  2.0 ! A.12   at -1.36e+07

! H94
assign (resid  94 and name  HB# ) (resid  94 and name   HN )  2.5  0.7  0.9 ! A.816  at 1.81e+08
assign (resid  94 and name   HA ) (resid  95 and name   HN )  4.0  2.2  1.0 ! A.161  at 3.92e+07
assign (resid  94 and name  HB# ) (resid  95 and name   HN )  3.0  1.2  1.0 ! A.157  at 6.92e+07
assign (resid  94 and name   HN ) (resid  95 and name   HN )  3.0  1.2  0.5 ! A.162  at 1.18e+08
assign (resid  94 and name   HA ) (resid  96 and name   HN )  4.0  2.2  1.0 ! A.42   at 2.39e+07
assign (resid  94 and name   HA ) (resid  97 and name   HN )  4.0  2.2  2.0 ! A.494  at 1.94e+07
assign (resid  94 and name   HA ) (resid  98 and name   HN )  4.0  2.2  2.0 ! A.292  at 2.16e+07

! L95
assign (resid  95 and name  HB1 ) (resid  95 and name   HN )  3.0  1.2  0.5 ! A.155  at 1.44e+08
assign (resid  95 and name HD2# ) (resid  95 and name   HN )  3.0  1.2  1.0 ! A.152  at 9.34e+07
assign (resid  95 and name  HB2 ) (resid  95 and name   HN )  3.0  1.2  0.5 ! A.156  at 1.64e+08
assign (resid  95 and name   HN ) (resid  96 and name   HN )  3.0  1.2  0.5 ! A.151  at 9.80e+07
assign (resid  95 and name  HB1 ) (resid  96 and name   HN )  3.0  1.2  0.5 ! A.38   at 8.92e+07
assign (resid  95 and name HD1# ) (resid  98 and name   HN )  4.0  2.2  1.5 ! A.297  at 3.12e+07
assign (resid  95 and name HD1# ) (resid  99 and name   HN )  4.0  2.2  1.5 ! A.754  at 4.05e+07

! C96
assign (resid  96 and name  HB1 ) (resid  96 and name   HN )  3.0  1.2  0.5 ! A.36   at 1.89e+08 (widened1)
assign (resid  96 and name  HB1 ) (resid  97 and name   HN )  4.0  2.2  2.0 ! A.492  at 2.17e+07
assign (resid  96 and name   HN ) (resid  97 and name   HN )  4.0  2.2  1.0 ! A.485  at 4.33e+07
assign (resid  96 and name  HB2 ) (resid  97 and name   HN )  4.0  2.2  1.0 ! A.493  at 2.86e+07
assign (resid  96 and name   HN ) (resid  98 and name   HN )  4.0  2.2  2.0 ! A.290  at 1.87e+07
assign (resid  96 and name   HA ) (resid  99 and name   HN )  2.5  0.7  0.4 ! A.759  at 4.18e+08

! E97
assign (resid  97 and name  HB2 ) (resid  97 and name   HN )  3.0  1.2  0.5 ! A.489  at 6.82e+07
assign (resid  97 and name  HG1 ) (resid  97 and name   HN )  4.0  2.2  1.0 ! A.490  at 2.75e+07
assign (resid  97 and name  HB1 ) (resid  97 and name   HN )  4.0  2.2  1.0 ! A.488  at 5.56e+07
assign (resid  97 and name  HG2 ) (resid  97 and name   HN )  4.0  2.2  1.0 ! A.491  at 3.22e+07
assign (resid  97 and name   HN ) (resid  98 and name   HN )  3.0  1.2  0.5 ! A.495  at 6.62e+07
assign (resid  97 and name  HG1 ) (resid  98 and name   HN )  4.0  2.2  2.0 ! A.296  at 1.96e+07
assign (resid  97 and name  HG2 ) (resid  98 and name   HN )  4.0  2.2  1.0 ! A.295  at 3.29e+07
assign (resid  97 and name   HA ) (resid  98 and name   HN )  4.0  2.2  1.0 ! A.293  at 3.48e+07
assign (resid  97 and name   HA ) (resid 100 and name   HN )  4.0  2.2  1.0 ! A.378  at 4.41e+07

! M98
assign (resid  98 and name  HG1 ) (resid  98 and name   HN )  3.0  1.2  0.5 ! A.294  at 9.51e+07
assign (resid  98 and name  HB2 ) (resid  98 and name   HN )  3.0  1.2  0.5 ! A.289  at 1.23e+08
assign (resid  98 and name  HB1 ) (resid  98 and name   HN )  2.5  0.7  0.4 ! A.288  at 1.85e+08
assign (resid  98 and name   HN ) (resid  99 and name   HN )  3.0  1.2  0.5 ! A.291  at 1.62e+08
assign (resid  98 and name   HA ) (resid  99 and name   HN )  4.0  2.2  1.0 ! A.751  at 4.70e+07
assign (resid  98 and name   HN ) (resid 100 and name   HN )  4.0  2.2  1.0 ! A.298  at 2.84e+07
assign (resid  98 and name   HA ) (resid 101 and name   HN )  4.0  2.2  1.0 ! A.826  at 3.25e+07
assign (resid  98 and name   HA ) (resid 102 and name   HN )  4.0  2.2  2.0 ! A.200  at 1.95e+07

! Y99
assign (resid  99 and name  HB2 ) (resid  99 and name   HN )  3.0  1.2  0.5 ! A.752  at 9.32e+07
assign (resid  99 and name  HB1 ) (resid  99 and name   HN )  4.0  2.2  1.0 ! A.753  at 5.87e+07
assign (resid  99 and name   HA ) (resid 100 and name   HN )  4.0  2.2  1.0 ! A.379  at 2.63e+07
assign (resid  99 and name   HN ) (resid 100 and name   HN )  4.0  2.2  1.0 ! A.381  at 6.39e+07
assign (resid  99 and name   HN ) (resid 100 and name  HB2 )  4.0  2.2  1.0 ! A.755  at 3.14e+07
assign (resid  99 and name  HB1 ) (resid 102 and name   HN )  4.0  2.2  2.0 ! A.201  at 1.47e+07

! R100
assign (resid 100 and name  HG# ) (resid 100 and name   HN )  3.0  1.2  1.0 ! A.377  at 1.13e+08
assign (resid 100 and name  HB1 ) (resid 100 and name   HN )  3.0  1.2  0.5 ! A.376  at 7.79e+07
assign (resid 100 and name   HN ) (resid 101 and name   HN )  4.0  2.2  1.0 ! A.382  at 5.29e+07
assign (resid 100 and name  HG# ) (resid 101 and name   HN )  4.0  2.2  1.5 ! A.831  at 5.10e+07
assign (resid 100 and name   HA ) (resid 101 and name   HN )  4.0  2.2  1.0 ! A.827  at 3.22e+07
assign (resid 100 and name   HA ) (resid 102 and name   HN )  4.0  2.2  2.0 ! A.202  at 1.96e+07

! R101
assign (resid 101 and name  HD2 ) (resid 101 and name   HN )  4.0  2.2  1.0 ! A.828  at 3.92e+07
assign (resid 101 and name  HG2 ) (resid 101 and name   HN )  3.0  1.2  0.5 ! A.830  at 1.21e+08
assign (resid 101 and name  HG1 ) (resid 101 and name   HN )  2.5  0.7  0.4 ! A.829  at 1.94e+08
assign (resid 101 and name   HN ) (resid 102 and name   HN )  4.0  2.2  1.0 ! A.832  at 5.83e+07
assign (resid 101 and name  HB2 ) (resid 102 and name   HN )  3.0  1.2  0.5 ! A.203  at 8.80e+07
assign (resid 101 and name   HA ) (resid 102 and name   HN )  4.0  2.2  1.0 ! A.198  at 6.11e+07

! S102
assign (resid 102 and name  HB# ) (resid 102 and name   HN )  2.5  0.7  0.9 ! A.197  at 1.97e+08
assign (resid 102 and name   HN ) (resid 103 and name   HN )  3.0  1.2  0.5 ! A.195  at 1.69e+08
assign (resid 102 and name   HN ) (resid 103 and name HG12 )  3.0  1.2  0.5 ! A.205  at 6.58e+07

! I103
assign (resid 103 and name HG2# ) (resid 103 and name HN ) 3.0 1.2 1.0 ! A.855 at 9.83e+07
assign (resid 103 and name HG12 ) (resid 103 and name HN ) 3.0 1.2 0.5 ! A.852 at 1.68e+08
assign (resid 101 and name HN ) (resid 103 and name HN) 4.0 2.2 2.0 ! A.851 at 2.08e+07
assign (resid 103 and name HB ) (resid 103 and name HN ) 2.5 0.7 0.4 ! A.849 at 2.29e+08
assign (resid 100 and name HA ) (resid 103 and name HN ) 4.0 2.2 2.0 ! A.846 at 1.99e+07
assign (resid 102 and name HN ) (resid 103 and name HN ) 3.0 1.2 0.5 ! A.850 at 1.23e+08

! P104
assign (resid 104 and name  HB1 ) (resid 105 and name   HN )  4.0  2.2  1.0 ! A.346  at 2.77e+07
assign (resid 104 and name  HB2 ) (resid 105 and name   HN )  4.0  2.2  1.0 ! A.347  at 2.78e+07

! R105
assign (resid 105 and name  HB1 ) (resid 105 and name   HN )  4.0  2.2  1.0 ! A.348  at 4.58e+07
assign (resid 105 and name  HB2 ) (resid 105 and name   HN )  3.0  1.2  0.5 ! A.349  at 6.81e+07
assign (resid 105 and name   HA ) (resid 107 and name   HN )  3.0  1.2  0.5 ! A.259  at -1.00e+08

! E106
assign (resid 106 and name  HB2 ) (resid 107 and name   HN )  4.0  2.2  2.0 ! A.257  at -1.92e+07
assign (resid 106 and name   HA ) (resid 107 and name   HN )  3.0  1.2  0.5 ! A.254  at -1.78e+08
assign (resid 106 and name  HB1 ) (resid 107 and name   HN )  4.0  2.2  1.0 ! A.256  at -5.09e+07

! V107
assign (resid 107 and name HG1# ) (resid 107 and name   HN )  4.0  2.2  1.5 ! A.258  at -3.16e+07


! SEGID b
!
! A1

! M2

! A3

! R4

! M5

! S6

! P7

! A8
assign (resid 208 and name HA ) (resid 211 and name HN ) 4.0 2.2 2.0 ! A.467 at 2.18e+07

! D9

! K10
assign (resid 210 and name HG# ) (resid 211 and name HN ) 4.0 2.2 2.5 ! A.464 at 1.80e+07
assign (resid 210 and name HA ) (resid 213 and name HN ) 4.0 2.2 1.0 ! A.535 at 5.84e+07

! R11
assign (resid 211 and name HG# ) (resid 211 and name HN ) 4.0 2.2 1.5 ! A.463 at 5.17e+07
assign (resid 211 and name HB# ) (resid 211 and name HN ) 2.5 0.7 0.9 ! A.462 at 1.83e+08
assign (resid 211 and name HD# ) (resid 211 and name HN ) 4.0 2.2 2.5 ! A.465 at 1.75e+07

! K12
assign (resid 212 and name HB# ) (resid 212 and name HN ) 3.0 1.2 1.0 ! A.630 at 1.07e+08
assign (resid 212 and name HB# ) (resid 213 and name HN ) 3.0 1.2 1.0 ! A.541 at 1.52e+08
assign (resid 212 and name HG2 ) (resid 213 and name HN ) 4.0 2.2 1.0 ! A.544 at 2.58e+07
assign (resid 212 and name HN ) (resid 213 and name HD* ) 4.0 2.2 1.5 ! A.625 at 3.27e+07
assign (resid 212 and name HA ) (resid 214 and name HN ) 4.0 2.2 2.0 ! A.422 at 2.13e+07

! L13
assign (resid 213 and name HG ) (resid 213 and name HN ) 2.5 0.7 0.4 ! A.543 at 2.27e+08
assign (resid 213 and name HD* ) (resid 213 and name HN ) 4.0 2.2 1.5 ! A.545 at 5.18e+07
assign (resid 213 and name HB2 ) (resid 213 and name HN ) 3.0 1.2 0.5 ! A.542 at 1.91e+08 (widened1)
assign (resid 213 and name HN ) (resid 214 and name HN ) 3.0 1.2 0.5 ! A.537 at 9.32e+07
assign (resid 213 and name HA ) (resid 214 and name HN ) 4.0 2.2 1.0 ! A.421 at 3.24e+07
assign (resid 213 and name HD* ) (resid 249 and name HN ) 4.0 2.2 2.5 ! A.643 at 1.71e+07

! L14
assign (resid 214 and name HD2# ) (resid 214 and name HN ) 3.0 1.2 1.0 ! A.419 at 8.32e+07
assign (resid 214 and name HG ) (resid 214 and name HN ) 2.5 0.7 0.4 ! A.420 at 2.28e+08
assign (resid 214 and name HB1 ) (resid 214 and name HN ) 3.0 1.2 0.5 ! A.427 at 1.12e+08
assign (resid 214 and name HN ) (resid 215 and name HB2 ) 4.0 2.2 2.0 ! A.425 at 1.92e+07
assign (resid 214 and name HN ) (resid 215 and name HN ) 3.0 1.2 0.5 ! A.424 at 1.04e+08
assign (resid 214 and name HA ) (resid 216 and name HN ) 4.0 2.2 1.0 ! A.362 at 2.59e+07
assign (resid 214 and name HN ) (resid 216 and name HN ) 4.0 2.2 1.0 ! A.371 at 3.03e+07
assign (resid 214 and name HA ) (resid 217 and name HN ) 4.0 2.2 1.0 ! A.111 at 4.59e+07
assign (resid 214 and name HD1# ) (resid 255 and name HE22 ) 4.0 2.2 1.5 ! A.243 at -2.38e+07
assign (resid 214 and name HD1# ) (resid 255 and name HE21 ) 4.0 2.2 1.5 ! A.241 at -2.31e+07

! D15
assign (resid 215 and name HB2 ) (resid 215 and name HN ) 2.5 0.7 0.4 ! A.473 at 1.95e+08
assign (resid 215 and name HB1 ) (resid 216 and name HN ) 3.0 1.2 0.5 ! A.364 at 1.06e+08
assign (resid 215 and name HB2 ) (resid 216 and name HN ) 3.0 1.2 0.5 ! A.363 at 1.16e+08
assign (resid 215 and name HA ) (resid 217 and name HN ) 4.0 2.2 2.0 ! A.109 at 1.79e+07

! E16
assign (resid 216 and name HB# ) (resid 216 and name HN ) 2.5 0.7 0.9 ! A.366 at 2.95e+08
assign (resid 216 and name HG# ) (resid 216 and name HN ) 3.0 1.2 1.0 ! A.365 at 1.01e+08
assign (resid 216 and name HN ) (resid 217 and name HG ) 4.0 2.2 1.0 ! A.367 at 4.96e+07
assign (resid 216 and name HN ) (resid 217 and name HN ) 3.0 1.2 0.5 ! A.370 at 1.53e+08
assign (resid 216 and name HB# ) (resid 217 and name HN ) 3.0 1.2 1.0 ! A.113 at 8.83e+07
assign (resid 216 and name HN ) (resid 218 and name HN ) 4.0 2.2 1.0 ! A.369 at 3.50e+07
assign (resid 216 and name HN ) (resid 220 and name HD1# ) 4.0 2.2 1.5 ! A.368 at 3.45e+07

! L17
assign (resid 217 and name HB2 ) (resid 217 and name HN ) 3.0 1.2 0.5 ! A.114 at 1.03e+08
assign (resid 217 and name HB1 ) (resid 217 and name HN ) 4.0 2.2 1.0 ! A.116 at 6.38e+07
assign (resid 217 and name HG ) (resid 217 and name HN ) 3.0 1.2 0.5 ! A.115 at 1.49e+08
assign (resid 217 and name HD1# ) (resid 217 and name HN ) 4.0 2.2 1.5 ! A.118 at 5.43e+07
assign (resid 217 and name HN ) (resid 218 and name HN ) 3.0 1.2 0.5 ! A.326 at 1.47e+08
assign (resid 217 and name HB1 ) (resid 218 and name HN ) 4.0 2.2 1.0 ! A.318 at 4.47e+07
assign (resid 217 and name HD1# ) (resid 218 and name HN ) 4.0 2.2 1.5 ! A.328 at 2.46e+07
assign (resid 217 and name HN ) (resid 220 and name HD1# ) 4.0 2.2 1.5 ! A.117 at 3.75e+07
assign (resid 217 and name HD1# ) (resid 246 and name HN ) 4.0 2.2 1.5 ! A.126 at 2.93e+07

! R18
assign (resid 218 and name HB# ) (resid 218 and name HN ) 2.5 0.7 0.9 ! A.317 at 2.83e+08
assign (resid 218 and name HD# ) (resid 218 and name HN ) 4.0 2.2 1.5 ! A.316 at 2.90e+07
assign (resid 218 and name HG# ) (resid 218 and name HN ) 3.0 1.2 1.0 ! A.320 at 8.38e+07
assign (resid 218 and name HN ) (resid 219 and name HN ) 3.0 1.2 0.5 ! A.325 at 1.05e+08
assign (resid 218 and name HB# ) (resid 219 and name HN ) 3.0 1.2 1.0 ! A.837 at 1.67e+08
assign (resid 218 and name HG# ) (resid 219 and name HN ) 4.0 2.2 2.5 ! A.838 at 2.05e+07
assign (resid 218 and name HA ) (resid 222 and name HN ) 4.0 2.2 1.0 ! A.789 at 4.44e+07

! S19
assign (resid 219 and name HB# ) (resid 219 and name HN ) 2.5 0.7 0.9 ! A.835 at 4.06e+08
assign (resid 219 and name HA ) (resid 220 and name HN ) 4.0 2.2 1.0 ! A.143 at 5.40e+07
assign (resid 219 and name HN ) (resid 220 and name HN ) 3.0 1.2 0.5 ! A.150 at 9.89e+07
assign (resid 219 and name HB# ) (resid 220 and name HN ) 3.0 1.2 1.0 ! A.142 at 1.78e+08
assign (resid 219 and name HA ) (resid 221 and name HN ) 4.0 2.2 2.0 ! A.21 at 1.56e+07
assign (resid 219 and name HA ) (resid 222 and name HN ) 4.0 2.2 1.0 ! A.786 at 6.40e+07

! I20
assign (resid 220 and name HD1# ) (resid 220 and name HN ) 3.0 1.2 1.0 ! A.147 at 9.86e+07
assign (resid 220 and name HG12 ) (resid 220 and name HN ) 3.0 1.2 0.5 ! A.146 at 1.37e+08
assign (resid 220 and name HN ) (resid 221 and name HN ) 3.0 1.2 0.5 ! A.148 at 8.62e+07
assign (resid 220 and name HG2# ) (resid 221 and name HN ) 4.0 2.2 1.5 ! A.17 at 4.89e+07
assign (resid 220 and name HB ) (resid 221 and name HN ) 3.0 1.2 0.5 ! A.15 at 1.28e+08
assign (resid 220 and name HA ) (resid 221 and name HN ) 4.0 2.2 1.0 ! A.19 at 3.50e+07
assign (resid 220 and name HN ) (resid 222 and name HN ) 4.0 2.2 2.0 ! A.790 at 1.96e+07
assign (resid 220 and name HN ) (resid 242 and name HD# ) 4.0 2.2 1.0 ! A.149 at 2.86e+07
assign (resid 220 and name HD1# ) (resid 242 and name HN ) 4.0 2.2 2.5 ! A.342 at 2.21e+07
assign (resid 220 and name HG2# ) (resid 242 and name HN ) 3.0 1.2 1.0 ! A.339 at 1.01e+08

! Y21
assign (resid 221 and name HD# ) (resid 221 and name HN ) 4.0 2.2 1.0 ! A.23 at 3.72e+07
assign (resid 221 and name HB2 ) (resid 221 and name HN ) 3.0 1.2 0.5 ! A.14 at 1.36e+08
assign (resid 221 and name HB1 ) (resid 221 and name HN ) 3.0 1.2 0.5 ! A.13 at 1.18e+08
assign (resid 221 and name HN ) (resid 222 and name HN ) 3.0 1.2 0.5 ! A.26 at 9.29e+07
assign (resid 221 and name HD1 ) (resid 222 and name HN ) 4.0 2.2 1.0 ! A.787 at 2.53e+07
assign (resid 221 and name HB2 ) (resid 222 and name HN ) 3.0 1.2 0.5 ! A.784 at 7.66e+07
assign (resid 221 and name HB1 ) (resid 222 and name HN ) 3.0 1.2 0.5 ! A.783 at 7.72e+07
assign (resid 221 and name HA ) (resid 224 and name HN ) 3.0 1.2 0.5 ! A.497 at 7.87e+07
assign (resid 221 and name HN ) (resid 242 and name HD# ) 4.0 2.2 1.0 ! A.24 at 5.19e+07
assign (resid 221 and name HN ) (resid 242 and name HE# ) 4.0 2.2 1.0 ! A.25 at 6.13e+07
assign (resid 221 and name HE# ) (resid 260 and name HN ) 4.0 2.2 2.0 ! A.680 at 2.03e+07
assign (resid 221 and name HN ) (resid 263 and name HD2# ) 4.0 2.2 1.5 ! A.80 at 6.30e+07

! R22
assign (resid 222 and name HB2 ) (resid 222 and name HN ) 2.5 0.7 0.4 ! A.779 at 2.09e+08
assign (resid 222 and name HG2 ) (resid 222 and name HN ) 4.0 2.2 1.0 ! A.780 at 7.13e+07 (widened1)
assign (resid 222 and name HB1 ) (resid 222 and name HN ) 2.5 0.7 0.4 ! A.778 at 2.18e+08
assign (resid 222 and name HN ) (resid 223 and name HN ) 3.0 1.2 0.5 ! A.788 at 9.30e+07
assign (resid 222 and name HD# ) (resid 223 and name HN ) 4.0 2.2 1.5 ! A.223 at 3.98e+07
assign (resid 222 and name HB1 ) (resid 223 and name HN ) 3.0 1.2 0.5 ! A.214 at 1.44e+08
assign (resid 222 and name HB2 ) (resid 223 and name HN ) 4.0 2.2 1.0 ! A.215 at 1.07e+08
assign (resid 222 and name HA ) (resid 223 and name HN ) 3.0 1.2 0.5 ! A.209 at 7.77e+07
assign (resid 222 and name HB1 ) (resid 224 and name HN ) 4.0 2.2 1.0 ! A.500 at 2.35e+07
assign (resid 222 and name HA ) (resid 226 and name HN ) 4.0 2.2 1.0 ! A.706 at 2.75e+07

! T23
assign (resid 223 and name HG2# ) (resid 223 and name HN ) 3.0 1.2 1.0 ! A.218 at 1.14e+08
assign (resid 223 and name HB ) (resid 223 and name HN ) 2.5 0.7 0.4 ! A.207 at 2.59e+08
assign (resid 223 and name HN ) (resid 224 and name HN ) 3.0 1.2 0.5 ! A.509 at 9.70e+07
assign (resid 223 and name HG2# ) (resid 224 and name HN ) 3.0 1.2 1.0 ! A.503 at 6.59e+07
assign (resid 223 and name HA ) (resid 224 and name HN ) 4.0 2.2 1.0 ! A.498 at 6.14e+07
assign (resid 223 and name HB ) (resid 224 and name HN ) 3.0 1.2 0.5 ! A.499 at 9.09e+07
assign (resid 223 and name HN ) (resid 224 and name HG11 ) 4.0 2.2 1.0 ! A.216 at 3.38e+07
assign (resid 223 and name HN ) (resid 224 and name HG12 ) 4.0 2.2 1.0 ! A.219 at 2.76e+07
assign (resid 223 and name HA ) (resid 226 and name HN ) 3.0 1.2 0.5 ! A.705 at 6.89e+07
assign (resid 223 and name HG2# ) (resid 226 and name HN ) 4.0 2.2 2.5 ! A.711 at 1.79e+07
assign (resid 223 and name HG2# ) (resid 227 and name HN ) 4.0 2.2 1.5 ! A.793 at 2.37e+07
assign (resid 223 and name HA ) (resid 227 and name HN ) 4.0 2.2 1.0 ! A.798 at 3.23e+07

! I24
assign (resid 224 and name HG11 ) (resid 224 and name HN ) 3.0 1.2 0.5 ! A.501 at 1.64e+08
assign (resid 224 and name HB ) (resid 224 and name HN ) 3.0 1.2 0.5 ! A.502 at 1.72e+08
assign (resid 224 and name HG12 ) (resid 224 and name HN ) 3.0 1.2 0.5 ! A.505 at 1.68e+08
assign (resid 224 and name HG2# ) (resid 224 and name HN ) 3.0 1.2 1.0 ! A.506 at 9.17e+07
assign (resid 224 and name HN ) (resid 225 and name HN ) 3.0 1.2 0.5 ! A.510 at 9.51e+07
assign (resid 224 and name HG12 ) (resid 225 and name HN ) 3.0 1.2 0.5 ! A.746 at 9.09e+07
assign (resid 224 and name HB ) (resid 225 and name HN ) 3.0 1.2 0.5 ! A.744 at 1.63e+08
assign (resid 224 and name HG2# ) (resid 228 and name HN ) 4.0 2.2 2.5 ! A.521 at 1.83e+07

! V25
assign (resid 225 and name HG2# ) (resid 225 and name HN ) 2.5 0.7 0.9 ! A.747 at 2.99e+08
assign (resid 225 and name HB ) (resid 225 and name HN ) 2.5 0.7 0.4 ! A.743 at 3.12e+08
assign (resid 225 and name HG1# ) (resid 225 and name HN ) 3.0 1.2 1.0 ! A.749 at 1.00e+08
assign (resid 225 and name HA ) (resid 226 and name HN ) 4.0 2.2 1.0 ! A.707 at 5.96e+07
assign (resid 225 and name HG1# ) (resid 226 and name HN ) 3.0 1.2 1.0 ! A.702 at 8.50e+07
assign (resid 225 and name HG2# ) (resid 226 and name HN ) 3.0 1.2 1.0 ! A.710 at 6.89e+07
assign (resid 225 and name HN ) (resid 263 and name HD2# ) 4.0 2.2 1.5 ! A.745 at 6.12e+07

! L26
assign (resid 226 and name HB1 ) (resid 226 and name HN ) 3.0 1.2 0.5 ! A.708 at 1.59e+08
assign (resid 226 and name HB1 ) (resid 227 and name HN ) 4.0 2.2 1.0 ! A.801 at 6.32e+07
assign (resid 226 and name HA ) (resid 227 and name HN ) 4.0 2.2 1.0 ! A.799 at 6.08e+07
assign (resid 226 and name HN ) (resid 228 and name HN ) 3.0 1.2 0.5 ! A.515 at 8.58e+07
assign (resid 226 and name HN ) (resid 267 and name HZ ) 4.0 2.2 2.0 ! A.712 at 1.42e+07

! E27
assign (resid 227 and name HB2 ) (resid 227 and name HN ) 2.5 0.7 0.4 ! A.794 at 2.39e+08
assign (resid 227 and name HG1 ) (resid 227 and name HN ) 3.0 1.2 0.5 ! A.795 at 1.15e+08
assign (resid 227 and name HB1 ) (resid 227 and name HN ) 3.0 1.2 0.5 ! A.803 at 1.10e+08
assign (resid 227 and name HB2 ) (resid 228 and name HN ) 4.0 2.2 1.0 ! A.518 at 3.70e+07
assign (resid 227 and name HA ) (resid 228 and name HN ) 4.0 2.2 1.0 ! A.513 at 5.35e+07
assign (resid 227 and name HN ) (resid 228 and name HB2 ) 4.0 2.2 1.0 ! A.797 at 3.60e+07
assign (resid 227 and name HN ) (resid 235 and name HG1# ) 4.0 2.2 2.5 ! A.792 at 1.93e+07

! Y28
assign (resid 228 and name HD# ) (resid 228 and name HN ) 4.0 2.2 1.0 ! A.514 at 6.89e+07
assign (resid 228 and name HB1 ) (resid 228 and name HN ) 3.0 1.2 0.5 ! A.517 at 1.60e+08
assign (resid 228 and name HB2 ) (resid 228 and name HN ) 2.5 0.7 0.4 ! A.511 at 1.99e+08
assign (resid 228 and name HN ) (resid 229 and name HN ) 4.0 2.2 1.0 ! A.180 at -6.15e+07
assign (resid 228 and name HD# ) (resid 229 and name HN ) 4.0 2.2 1.0 ! A.178 at -4.60e+07
assign (resid 228 and name HB1 ) (resid 229 and name HN ) 3.0 1.2 0.5 ! A.174 at -7.28e+07
assign (resid 228 and name HA ) (resid 230 and name HN ) 4.0 2.2 1.0 ! A.667 at 2.73e+07
assign (resid 228 and name HN ) (resid 235 and name HG2# ) 4.0 2.2 2.5 ! A.520 at 2.11e+07
assign (resid 228 and name HN ) (resid 235 and name HG1# ) 4.0 2.2 1.5 ! A.519 at 3.19e+07

! F29
assign (resid 229 and name HB2 ) (resid 229 and name HN ) 3.0 1.2 0.5 ! A.175 at -1.34e+08
assign (resid 229 and name HD# ) (resid 229 and name HN ) 3.0 1.2 0.5 ! A.179 at -9.01e+07
assign (resid 229 and name HN ) (resid 230 and name HN ) 3.0 1.2 0.5 ! A.181 at -9.27e+07
assign (resid 229 and name HB1 ) (resid 230 and name HN ) 4.0 2.2 1.0 ! A.668 at 3.02e+07
assign (resid 229 and name HA ) (resid 230 and name HN ) 3.0 1.2 0.5 ! A.665 at 6.79e+07

! N30
assign (resid 230 and name HB1 ) (resid 230 and name HD21 ) 4.0 2.2 1.0 ! A.251 at -2.91e+07
assign (resid 230 and name HB1 ) (resid 230 and name HD22 ) 4.0 2.2 1.0 ! A.244 at -3.74e+07
assign (resid 230 and name HB2 ) (resid 230 and name HD22 ) 4.0 2.2 1.0 ! A.245 at -3.99e+07
assign (resid 230 and name HB2 ) (resid 230 and name HD21 ) 4.0 2.2 1.0 ! A.250 at -4.48e+07
assign (resid 230 and name HB2 ) (resid 230 and name HN ) 3.0 1.2 0.5 ! A.656 at 1.58e+08
assign (resid 230 and name HB1 ) (resid 230 and name HN ) 3.0 1.2 0.5 ! A.657 at 1.31e+08
assign (resid 230 and name HD21 ) (resid 233 and name HB# ) 4.0 2.2 2.5 ! A.249 at -2.17e+07
assign (resid 230 and name HD22 ) (resid 233 and name HB# ) 4.0 2.2 2.5 ! A.246 at -2.08e+07

! T31

! D32
assign (resid 232 and name HB2 ) (resid 232 and name HN ) 4.0 2.2 2.0 ! A.418 at 1.83e+07

! A33
assign (resid 233 and name  HB# ) (resid 233 and name   HN )  3.0  1.2  1.0 ! A.841  at 1.45e+08
assign (resid 232 and name   HA ) (resid 233 and name   HN )  3.0  1.2  0.5 ! A.842  at 4.74e+07
assign (resid 232 and name  HB2 ) (resid 233 and name   HN )  4.0  2.2  2.0 ! A.843  at 1.80e+07
assign (resid 232 and name  HB1 ) (resid 233 and name   HN )  4.0  2.2  2.0 ! A.844  at 1.67e+07

! K34
assign (resid 234 and name HG1 ) (resid 235 and name HN ) 4.0 2.2 1.0 ! A.660 at 6.07e+07

! V35
assign (resid 235 and name HB ) (resid 235 and name HN ) 3.0 1.2 0.5 ! A.669 at 7.64e+07
assign (resid 235 and name HG1# ) (resid 235 and name HN ) 4.0 2.2 1.5 ! A.659 at 4.45e+07
assign (resid 235 and name HG2# ) (resid 235 and name HN ) 3.0 1.2 1.0 ! A.658 at 6.51e+07
assign (resid 235 and name HG1# ) (resid 238 and name HN ) 4.0 2.2 2.5 ! A.314 at 1.82e+07
assign (resid 235 and name HA ) (resid 238 and name HN ) 3.0 1.2 0.5 ! A.304 at 7.74e+07
assign (resid 235 and name HA ) (resid 239 and name HN ) 4.0 2.2 1.0 ! A.409 at 2.87e+07

! N36
assign (resid 236 and name HA ) (resid 239 and name HN ) 4.0 2.2 1.0 ! A.406 at 6.34e+07

! E37
assign (resid 237 and name HB# ) (resid 237 and name HN ) 4.0 2.2 1.5 ! A.468 at 4.17e+07
assign (resid 237 and name HG# ) (resid 237 and name HN ) 4.0 2.2 1.5 ! A.469 at 2.57e+07
assign (resid 237 and name HG# ) (resid 238 and name HN ) 4.0 2.2 1.5 ! A.309 at 5.21e+07
assign (resid 237 and name HA ) (resid 238 and name HN ) 3.0 1.2 0.5 ! A.303 at 6.68e+07
assign (resid 237 and name HN ) (resid 238 and name HN ) 3.0 1.2 0.5 ! A.301 at 6.44e+07

! R38
assign (resid 238 and name HD2 ) (resid 238 and name HN ) 4.0 2.2 2.0 ! A.307 at 1.73e+07
assign (resid 238 and name HD1 ) (resid 238 and name HN ) 4.0 2.2 2.0 ! A.306 at 1.73e+07
assign (resid 238 and name HG# ) (resid 238 and name HN ) 2.5 0.7 0.4 ! A.311 at 2.96e+08
assign (resid 238 and name HB2 ) (resid 238 and name HN ) 2.5 0.7 0.4 ! A.310 at 2.51e+08
assign (resid 238 and name HA ) (resid 239 and name HN ) 4.0 2.2 1.0 ! A.407 at 3.20e+07
assign (resid 238 and name HB2 ) (resid 239 and name HN ) 3.0 1.2 0.5 ! A.416 at 8.55e+07
assign (resid 238 and name HN ) (resid 239 and name HN ) 3.0 1.2 0.5 ! A.410 at 1.18e+08
assign (resid 238 and name HN ) (resid 239 and name HA ) 4.0 2.2 2.0 ! A.305 at 1.81e+07
assign (resid 238 and name HN ) (resid 240 and name HN ) 4.0 2.2 1.0 ! A.482 at 2.98e+07
assign (resid 238 and name HN ) (resid 241 and name HN ) 4.0 2.2 1.0 ! A.300 at 4.36e+07
assign (resid 238 and name HA ) (resid 242 and name HN ) 4.0 2.2 1.0 ! A.331 at 3.13e+07

! I39
assign (resid 239 and name HB ) (resid 239 and name HN ) 2.5 0.7 0.4 ! A.415 at 3.42e+08
assign (resid 239 and name HN ) (resid 240 and name HN ) 3.0 1.2 0.5 ! A.412 at 1.24e+08
assign (resid 239 and name HN ) (resid 240 and name HB1 ) 4.0 2.2 2.0 ! A.405 at 1.74e+07
assign (resid 239 and name HG2# ) (resid 240 and name HN ) 3.0 1.2 1.0 ! A.478 at 1.03e+08
assign (resid 239 and name HA ) (resid 240 and name HN ) 4.0 2.2 1.0 ! A.470 at 4.95e+07
assign (resid 239 and name HB ) (resid 240 and name HN ) 2.5 0.7 0.4 ! A.476 at 2.42e+08
assign (resid 239 and name HN ) (resid 241 and name HN ) 4.0 2.2 1.0 ! A.594 at 6.12e+07

! D40
assign (resid 240 and name HB1 ) (resid 240 and name HN ) 2.5 0.7 0.4 ! A.472 at 4.73e+08
assign (resid 240 and name HB1 ) (resid 241 and name HN ) 3.0 1.2 0.5 ! A.585 at 1.62e+08
assign (resid 240 and name HN ) (resid 241 and name HN ) 2.5 0.7 0.4 ! A.595 at 2.10e+08
assign (resid 240 and name HN ) (resid 241 and name HB2 ) 4.0 2.2 1.0 ! A.474 at 5.83e+07
assign (resid 240 and name HN ) (resid 242 and name HN ) 4.0 2.2 1.0 ! A.337 at 2.67e+07
assign (resid 240 and name HA ) (resid 243 and name HN ) 4.0 2.2 1.0 ! A.51 at 5.10e+07
assign (resid 240 and name HA ) (resid 244 and name HN ) 4.0 2.2 1.0 ! A.185 at 4.50e+07

! E41
assign (resid 241 and name HB2 ) (resid 241 and name HN ) 2.5 0.7 0.4 ! A.583 at 4.47e+08
assign (resid 241 and name HN ) (resid 242 and name HN ) 2.5 0.7 0.4 ! A.593 at 1.86e+08
assign (resid 241 and name HN ) (resid 242 and name HB1 ) 4.0 2.2 1.0 ! A.586 at 2.92e+07
assign (resid 241 and name HB2 ) (resid 242 and name HN ) 3.0 1.2 0.5 ! A.336 at 1.67e+08
assign (resid 241 and name HA ) (resid 242 and name HN ) 3.0 1.2 0.5 ! A.332 at 7.08e+07
assign (resid 241 and name HB2 ) (resid 245 and name HN ) 4.0 2.2 2.0 ! A.556 at 1.98e+07

! F42
assign (resid 242 and name HB2 ) (resid 242 and name HN ) 3.0 1.2 0.5 ! A.335 at 1.63e+08
assign (resid 242 and name HB1 ) (resid 242 and name HN ) 3.0 1.2 0.5 ! A.334 at 1.60e+08
assign (resid 242 and name HD# ) (resid 242 and name HN ) 4.0 2.2 1.0 ! A.330 at 6.53e+07
assign (resid 242 and name HN ) (resid 243 and name HN ) 3.0 1.2 0.5 ! A.340 at 1.26e+08
assign (resid 242 and name HB2 ) (resid 243 and name HN ) 3.0 1.2 0.5 ! A.49 at 8.09e+07
assign (resid 242 and name HA ) (resid 243 and name HN ) 4.0 2.2 1.0 ! A.50 at 4.63e+07
assign (resid 242 and name HD# ) (resid 243 and name HN ) 4.0 2.2 1.0 ! A.52 at 5.78e+07
assign (resid 242 and name HN ) (resid 244 and name HN ) 3.0 1.2 0.5 ! A.194 at 9.59e+07
assign (resid 242 and name HA ) (resid 245 and name HN ) 4.0 2.2 1.0 ! A.559 at 3.30e+07
assign (resid 242 and name HN ) (resid 245 and name HB2 ) 4.0 2.2 2.0 ! A.343 at 1.63e+07

! V43
assign (resid 243 and name HG1# ) (resid 243 and name HN ) 3.0 1.2 1.0 ! A.46 at 1.44e+08
assign (resid 243 and name HG2# ) (resid 243 and name HN ) 2.5 0.7 0.9 ! A.47 at 1.96e+08
assign (resid 243 and name HB ) (resid 243 and name HN ) 3.0 1.2 0.5 ! A.48 at 1.70e+08
assign (resid 243 and name HN ) (resid 244 and name HN ) 3.0 1.2 0.5 ! A.53 at 1.04e+08
assign (resid 243 and name HG1# ) (resid 244 and name HN ) 3.0 1.2 1.0 ! A.191 at 8.07e+07
assign (resid 243 and name HB ) (resid 244 and name HN ) 3.0 1.2 0.5 ! A.187 at 1.19e+08
assign (resid 243 and name HA ) (resid 244 and name HN ) 4.0 2.2 1.0 ! A.182 at 4.91e+07
assign (resid 243 and name HG2# ) (resid 244 and name HN ) 3.0 1.2 1.0 ! A.190 at 9.90e+07
assign (resid 243 and name HA ) (resid 245 and name HN ) 4.0 2.2 2.0 ! A.558 at 1.54e+07
assign (resid 243 and name HA ) (resid 246 and name HN ) 4.0 2.2 1.0 ! A.121 at 5.29e+07
assign (resid 243 and name HA ) (resid 247 and name HN ) 4.0 2.2 2.0 ! A.71 at 1.74e+07
assign (resid 243 and name HG2# ) (resid 295 and name HN ) 4.0 2.2 1.5 ! A.153 at 5.32e+07
assign (resid 243 and name HG1# ) (resid 295 and name HN ) 3.0 1.2 1.0 ! A.154 at 8.00e+07

! S44
assign (resid 244 and name HN ) (resid 245 and name HN ) 3.0 1.2 0.5 ! A.561 at 1.34e+08
assign (resid 244 and name HN ) (resid 245 and name HB2 ) 4.0 2.2 2.0 ! A.189 at 2.00e+07
assign (resid 244 and name HN ) (resid 245 and name HG1 ) 4.0 2.2 1.0 ! A.188 at 2.38e+07
assign (resid 244 and name HN ) (resid 246 and name HN ) 4.0 2.2 2.0 ! A.129 at 1.68e+07

! K45
assign (resid 245 and name HE# ) (resid 245 and name HN ) 4.0 2.2 2.5 ! A.557 at 1.89e+07
assign (resid 245 and name HB2 ) (resid 245 and name HN ) 2.5 0.7 0.4 ! A.552 at 1.95e+08
assign (resid 245 and name HG2 ) (resid 245 and name HN ) 3.0 1.2 0.5 ! A.554 at 1.03e+08
assign (resid 245 and name HG1 ) (resid 245 and name HN ) 2.5 0.7 0.4 ! A.553 at 2.36e+08
assign (resid 245 and name HB1 ) (resid 246 and name HN ) 3.0 1.2 0.5 ! A.123 at 8.33e+07
assign (resid 245 and name HA ) (resid 246 and name HN ) 4.0 2.2 1.0 ! A.119 at 6.14e+07
assign (resid 245 and name HB2 ) (resid 246 and name HN ) 3.0 1.2 0.5 ! A.122 at 8.45e+07
assign (resid 245 and name HN ) (resid 246 and name HN ) 3.0 1.2 0.5 ! A.128 at 1.31e+08
assign (resid 245 and name HG2 ) (resid 246 and name HN ) 4.0 2.2 1.0 ! A.124 at 4.18e+07
assign (resid 245 and name HN ) (resid 246 and name HB# ) 4.0 2.2 1.5 ! A.555 at 4.21e+07
assign (resid 245 and name HN ) (resid 247 and name HN ) 4.0 2.2 2.0 ! A.76 at 1.43e+07

! A46
assign (resid 246 and name HB# ) (resid 246 and name HN ) 2.5 0.7 0.9 ! A.125 at 2.83e+08
assign (resid 246 and name HB# ) (resid 247 and name HN ) 3.0 1.2 1.0 ! A.74 at 1.20e+08
assign (resid 246 and name HA ) (resid 247 and name HN ) 4.0 2.2 1.0 ! A.70 at 2.95e+07
assign (resid 246 and name HA ) (resid 249 and name HN ) 4.0 2.2 1.0 ! A.637 at 2.62e+07
assign (resid 246 and name HA ) (resid 251 and name HN ) 4.0 2.2 2.0 ! A.234 at 1.83e+07
assign (resid 246 and name HB# ) (resid 251 and name HN ) 4.0 2.2 1.5 ! A.238 at 3.47e+07
assign (resid 246 and name HN ) (resid 295 and name HD1# ) 4.0 2.2 1.5 ! A.127 at 3.75e+07

! F47
assign (resid 247 and name HB# ) (resid 247 and name HN ) 3.0 1.2 1.0 ! A.73 at 1.59e+08
assign (resid 247 and name HD# ) (resid 247 and name HN ) 4.0 2.2 1.0 ! A.67 at 3.00e+07
assign (resid 247 and name HD# ) (resid 248 and name HN ) 4.0 2.2 1.0 ! A.444 at 2.63e+07
assign (resid 247 and name HB# ) (resid 248 and name HN ) 3.0 1.2 1.0 ! A.442 at 6.51e+07
assign (resid 247 and name HN ) (resid 248 and name HN ) 3.0 1.2 0.5 ! A.449 at 7.17e+07
assign (resid 247 and name HN ) (resid 248 and name HB# ) 4.0 2.2 1.5 ! A.72 at 2.78e+07
assign (resid 247 and name HN ) (resid 249 and name HN ) 4.0 2.2 2.0 ! A.642 at 2.25e+07
assign (resid 247 and name HN ) (resid 295 and name HD1# ) 4.0 2.2 1.5 ! A.75 at 5.86e+07

! F48
assign (resid 248 and name HD# ) (resid 248 and name HN ) 4.0 2.2 2.0 ! A.445 at 1.83e+07
assign (resid 248 and name HB# ) (resid 248 and name HN ) 2.5 0.7 0.9 ! A.441 at 2.18e+08
assign (resid 248 and name HN ) (resid 249 and name HN ) 3.0 1.2 0.5 ! A.448 at 8.90e+07
assign (resid 248 and name HB# ) (resid 249 and name HN ) 3.0 1.2 1.0 ! A.636 at 1.05e+08
assign (resid 248 and name HN ) (resid 250 and name HN ) 4.0 2.2 1.0 ! A.696 at 2.87e+07

! A49
assign (resid 249 and name HB# ) (resid 249 and name HN ) 2.5 0.7 0.9 ! A.635 at 2.56e+08
assign (resid 249 and name HN ) (resid 250 and name HA ) 4.0 2.2 2.0 ! A.639 at 1.92e+07
assign (resid 249 and name HN ) (resid 250 and name HN ) 3.0 1.2 0.5 ! A.640 at 8.92e+07
assign (resid 249 and name HN ) (resid 251 and name HN ) 4.0 2.2 2.0 ! A.236 at 2.07e+07

! D50
assign (resid 250 and name HB2 ) (resid 250 and name HN ) 4.0 2.2 1.0 ! A.700 at 5.34e+07
assign (resid 250 and name HB1 ) (resid 250 and name HN ) 4.0 2.2 1.0 ! A.699 at 4.66e+07
assign (resid 250 and name HN ) (resid 251 and name HB ) 4.0 2.2 2.0 ! A.714 at 1.57e+07
assign (resid 250 and name HN ) (resid 251 and name HN ) 4.0 2.2 1.0 ! A.713 at 6.24e+07
assign (resid 250 and name HA ) (resid 251 and name HN ) 4.0 2.2 1.0 ! A.229 at 5.12e+07

! I51
assign (resid 251 and name HD1# ) (resid 251 and name HN ) 4.0 2.2 1.5 ! A.237 at 3.82e+07
assign (resid 251 and name HG11 ) (resid 251 and name HN ) 3.0 1.2 0.5 ! A.225 at 1.19e+08
assign (resid 251 and name HB ) (resid 251 and name HN ) 3.0 1.2 0.5 ! A.224 at 8.44e+07
assign (resid 251 and name HG2# ) (resid 251 and name HN ) 3.0 1.2 1.0 ! A.227 at 7.18e+07
assign (resid 251 and name HG12 ) (resid 251 and name HN ) 4.0 2.2 1.0 ! A.226 at 4.76e+07
assign (resid 251 and name HD1# ) (resid 252 and name HN ) 4.0 2.2 1.5 ! A.329 at 2.52e+07
assign (resid 251 and name HA ) (resid 252 and name HN ) 2.5 0.7 0.4 ! A.323 at 2.55e+08
assign (resid 251 and name HG2# ) (resid 252 and name HN ) 3.0 1.2 1.0 ! A.319 at 1.25e+08
assign (resid 251 and name HN ) (resid 252 and name HN ) 4.0 2.2 1.0 ! A.324 at 2.80e+07
assign (resid 251 and name HN ) (resid 252 and name HA ) 4.0 2.2 1.0 ! A.233 at 3.88e+07
assign (resid 251 and name HG2# ) (resid 255 and name HN ) 4.0 2.2 1.5 ! A.580 at 4.70e+07
assign (resid 251 and name HD1# ) (resid 256 and name HN ) 4.0 2.2 1.5 ! A.565 at 3.02e+07

! S52
assign (resid 252 and name HB2 ) (resid 252 and name HN ) 4.0 2.2 1.0 ! A.322 at 5.32e+07
assign (resid 252 and name HB2 ) (resid 253 and name HN ) 4.0 2.2 1.0 ! A.30 at 3.44e+07
assign (resid 252 and name HB1 ) (resid 253 and name HN ) 4.0 2.2 1.0 ! A.28 at 4.41e+07
assign (resid 252 and name HA ) (resid 253 and name HN ) 2.5 0.7 0.4 ! A.29 at 3.45e+08
assign (resid 252 and name HA ) (resid 255 and name HN ) 4.0 2.2 1.0 ! A.592 at 1.41e+08
assign (resid 252 and name HB1 ) (resid 255 and name HN ) 3.0 1.2 0.5 ! A.590 at 1.31e+08

! V53
assign (resid 253 and name HG2# ) (resid 253 and name HN ) 3.0 1.2 1.0 ! A.33 at 9.98e+07
assign (resid 253 and name HG1# ) (resid 253 and name HN ) 4.0 2.2 1.5 ! A.34 at 5.15e+07
assign (resid 253 and name HA ) (resid 256 and name HN ) 4.0 2.2 1.0 ! A.587 at 2.55e+07

! S54
assign (resid 254 and name HA ) (resid 256 and name HN ) 4.0 2.2 1.0 ! A.575 at 3.94e+07

! Q55
assign (resid 255 and name HB1 ) (resid 255 and name HN ) 3.0 1.2 0.5 ! A.582 at 1.09e+08
assign (resid 255 and name HB2 ) (resid 255 and name HN ) 2.5 0.7 0.4 ! A.584 at 2.65e+08
assign (resid 255 and name HB1 ) (resid 256 and name HN ) 4.0 2.2 1.0 ! A.570 at 5.92e+07
assign (resid 255 and name HA ) (resid 256 and name HN ) 4.0 2.2 1.0 ! A.576 at 5.63e+07
assign (resid 255 and name HB2 ) (resid 256 and name HN ) 3.0 1.2 0.5 ! A.572 at 7.83e+07
assign (resid 255 and name HN ) (resid 257 and name HB2 ) 4.0 2.2 1.0 ! A.581 at 3.75e+07
assign (resid 255 and name HA ) (resid 258 and name HN ) 3.0 1.2 0.5 ! A.735 at 8.75e+07
assign (resid 255 and name HA ) (resid 259 and name HN ) 4.0 2.2 1.0 ! A.600 at 2.31e+07

! V56
assign (resid 256 and name HG1# ) (resid 256 and name HN ) 3.0 1.2 1.0 ! A.563 at 1.38e+08
assign (resid 256 and name HB ) (resid 256 and name HN ) 2.5 0.7 0.4 ! A.571 at 2.48e+08
assign (resid 256 and name HG2# ) (resid 256 and name HN ) 2.5 0.7 0.9 ! A.566 at 3.02e+08
assign (resid 256 and name HN ) (resid 257 and name HG ) 4.0 2.2 1.0 ! A.568 at 3.38e+07
assign (resid 256 and name HN ) (resid 257 and name HB2 ) 4.0 2.2 1.0 ! A.569 at 4.46e+07
assign (resid 256 and name HN ) (resid 257 and name HN ) 3.0 1.2 0.5 ! A.578 at 1.55e+08
assign (resid 256 and name HB ) (resid 257 and name HN ) 3.0 1.2 0.5 ! A.459 at 9.06e+07
assign (resid 256 and name HG2# ) (resid 257 and name HN ) 4.0 2.2 1.5 ! A.456 at 5.01e+07
assign (resid 256 and name HA ) (resid 257 and name HN ) 4.0 2.2 1.0 ! A.460 at 2.93e+07
assign (resid 256 and name HA ) (resid 258 and name HN ) 4.0 2.2 2.0 ! A.733 at 1.76e+07
assign (resid 256 and name HA ) (resid 259 and name HN ) 3.0 1.2 0.5 ! A.603 at 7.41e+07
assign (resid 256 and name HA ) (resid 260 and name HN ) 4.0 2.2 1.0 ! A.676 at 3.68e+07

! L57
assign (resid 257 and name HD2# ) (resid 257 and name HN ) 3.0 1.2 1.0 ! A.477 at 6.82e+07
assign (resid 257 and name HB2 ) (resid 257 and name HN ) 3.0 1.2 0.5 ! A.458 at 1.09e+08
assign (resid 257 and name HB1 ) (resid 257 and name HN ) 3.0 1.2 0.5 ! A.457 at 1.38e+08
assign (resid 257 and name HN ) (resid 258 and name HN ) 3.0 1.2 0.5 ! A.454 at 9.21e+07
assign (resid 257 and name HD2# ) (resid 258 and name HN ) 3.0 1.2 1.0 ! A.730 at 7.61e+07
assign (resid 257 and name HB2 ) (resid 258 and name HN ) 3.0 1.2 0.5 ! A.727 at 1.32e+08
assign (resid 257 and name HB1 ) (resid 258 and name HN ) 3.0 1.2 0.5 ! A.728 at 1.01e+08
assign (resid 257 and name HN ) (resid 259 and name HN ) 4.0 2.2 1.0 ! A.597 at 3.42e+07
assign (resid 257 and name HA ) (resid 260 and name HN ) 4.0 2.2 1.0 ! A.678 at 4.22e+07
assign (resid 257 and name HN ) (resid 260 and name HN ) 4.0 2.2 1.0 ! A.683 at 3.17e+07

! E58
assign (resid 258 and name HG1 ) (resid 258 and name HN ) 3.0 1.2 0.5 ! A.732 at 1.49e+08
assign (resid 258 and name HN ) (resid 259 and name HN ) 3.0 1.2 0.5 ! A.599 at 1.52e+08
assign (resid 258 and name HA ) (resid 259 and name HN ) 4.0 2.2 1.0 ! A.601 at 5.97e+07
assign (resid 258 and name HG1 ) (resid 259 and name HN ) 4.0 2.2 1.0 ! A.606 at 2.82e+07
assign (resid 258 and name HB2 ) (resid 259 and name HN ) 3.0 1.2 0.5 ! A.607 at 1.27e+08
assign (resid 258 and name HN ) (resid 259 and name HG12 ) 4.0 2.2 2.0 ! A.729 at 2.28e+07
assign (resid 258 and name HN ) (resid 260 and name HN ) 3.0 1.2 0.5 ! A.737 at 9.63e+07
assign (resid 258 and name HA ) (resid 261 and name HN ) 3.0 1.2 0.5 ! A.98 at 7.09e+07
assign (resid 258 and name HN ) (resid 261 and name HG2# ) 4.0 2.2 2.5 ! A.731 at 2.25e+07
assign (resid 258 and name HA ) (resid 262 and name HN ) 4.0 2.2 1.0 ! A.429 at 4.04e+07

! I59
assign (resid 259 and name HG12 ) (resid 259 and name HN ) 3.0 1.2 0.5 ! A.610 at 1.22e+08
assign (resid 259 and name HG2# ) (resid 259 and name HN ) 3.0 1.2 1.0 ! A.609 at 1.78e+08
assign (resid 259 and name HB ) (resid 259 and name HN ) 2.5 0.7 0.4 ! A.608 at 3.09e+08
assign (resid 259 and name HG12 ) (resid 260 and name HN ) 4.0 2.2 1.0 ! A.673 at 2.48e+07
assign (resid 259 and name HN ) (resid 260 and name HN ) 3.0 1.2 0.5 ! A.681 at 7.98e+07
assign (resid 259 and name HB ) (resid 260 and name HN ) 3.0 1.2 0.5 ! A.672 at 1.02e+08
assign (resid 259 and name HA ) (resid 260 and name HN ) 4.0 2.2 1.0 ! A.677 at 3.68e+07
assign (resid 259 and name HN ) (resid 260 and name HB2 ) 4.0 2.2 2.0 ! A.605 at 2.03e+07
assign (resid 259 and name HN ) (resid 260 and name HB1 ) 4.0 2.2 2.0 ! A.604 at 2.01e+07
assign (resid 259 and name HN ) (resid 261 and name HN ) 4.0 2.2 2.0 ! A.598 at 1.74e+07
assign (resid 259 and name HG2# ) (resid 261 and name HN ) 4.0 2.2 1.5 ! A.107 at 2.43e+07
assign (resid 259 and name HB ) (resid 261 and name HN ) 4.0 2.2 2.0 ! A.103 at 1.81e+07
assign (resid 259 and name HA ) (resid 262 and name HN ) 4.0 2.2 1.0 ! A.430 at 3.80e+07
assign (resid 259 and name HG2# ) (resid 262 and name HN ) 4.0 2.2 2.5 ! A.438 at 2.26e+07
assign (resid 259 and name HA ) (resid 263 and name HN ) 4.0 2.2 1.0 ! A.530 at 2.76e+07

! H60
assign (resid 260 and name HB1 ) (resid 260 and name HN ) 3.0 1.2 0.5 ! A.675 at 1.24e+08
assign (resid 260 and name HB2 ) (resid 260 and name HN ) 3.0 1.2 0.5 ! A.670 at 1.32e+08
assign (resid 260 and name HN ) (resid 261 and name HN ) 3.0 1.2 0.5 ! A.682 at 7.78e+07
assign (resid 260 and name HB1 ) (resid 261 and name HN ) 3.0 1.2 0.5 ! A.101 at 8.44e+07
assign (resid 260 and name HB2 ) (resid 261 and name HN ) 3.0 1.2 0.5 ! A.105 at 6.82e+07
assign (resid 260 and name HD2 ) (resid 261 and name HN ) 4.0 2.2 1.0 ! A.93 at 3.03e+07
assign (resid 260 and name HA ) (resid 261 and name HN ) 4.0 2.2 1.0 ! A.97 at 5.15e+07
assign (resid 260 and name HB2 ) (resid 263 and name HN ) 4.0 2.2 2.0 ! A.528 at 1.65e+07
assign (resid 260 and name HB2 ) (resid 288 and name HN ) 4.0 2.2 2.0 ! A.278 at 1.71e+07
assign (resid 260 and name HE1 ) (resid 288 and name HN ) 4.0 2.2 2.0 ! A.275 at 2.16e+07

! V61
assign (resid 261 and name HG2# ) (resid 261 and name HN ) 2.5 0.7 0.9 ! A.106 at 2.30e+08
assign (resid 261 and name HB ) (resid 261 and name HN ) 2.5 0.7 0.4 ! A.104 at 2.38e+08
assign (resid 261 and name HG1# ) (resid 261 and name HN ) 3.0 1.2 1.0 ! A.100 at 1.01e+08
assign (resid 261 and name HG2# ) (resid 262 and name HN ) 3.0 1.2 1.0 ! A.436 at 6.99e+07
assign (resid 261 and name HG1# ) (resid 262 and name HN ) 3.0 1.2 1.0 ! A.437 at 8.33e+07
assign (resid 261 and name HN ) (resid 262 and name HN ) 3.0 1.2 0.5 ! A.440 at 1.32e+08
assign (resid 261 and name HA ) (resid 262 and name HN ) 4.0 2.2 1.0 ! A.431 at 4.75e+07
assign (resid 261 and name HA ) (resid 263 and name HN ) 4.0 2.2 1.0 ! A.529 at 2.41e+07
assign (resid 261 and name HA ) (resid 264 and name HN ) 4.0 2.2 1.0 ! A.82 at 6.05e+07
assign (resid 261 and name HA ) (resid 265 and name HN ) 4.0 2.2 1.0 ! A.351 at 2.50e+07

! E62
assign (resid 262 and name HG1 ) (resid 262 and name HN ) 4.0 2.2 1.0 ! A.433 at 1.05e+08 (widened1)
assign (resid 262 and name HG1 ) (resid 263 and name HN ) 4.0 2.2 1.0 ! A.523 at 2.61e+07
assign (resid 262 and name HB1 ) (resid 263 and name HN ) 2.5 0.7 0.4 ! A.524 at 1.96e+08
assign (resid 262 and name HN ) (resid 263 and name HN ) 2.5 0.7 0.4 ! A.532 at 2.02e+08
assign (resid 262 and name HN ) (resid 263 and name HB# ) 4.0 2.2 1.5 ! A.435 at 2.80e+07
assign (resid 262 and name HN ) (resid 264 and name HN ) 4.0 2.2 1.0 ! A.87 at 2.35e+07
assign (resid 262 and name HA ) (resid 265 and name HN ) 3.0 1.2 0.5 ! A.352 at 1.13e+08
assign (resid 262 and name HN ) (resid 265 and name HB2 ) 4.0 2.2 2.0 ! A.432 at 1.66e+07

! L63
assign (resid 263 and name HG ) (resid 263 and name HN ) 4.0 2.2 1.0 ! A.527 at 4.20e+07
assign (resid 263 and name HB# ) (resid 263 and name HN ) 2.5 0.7 0.9 ! A.525 at 4.19e+08
assign (resid 263 and name HN ) (resid 264 and name HN ) 2.5 0.7 0.4 ! A.533 at 1.88e+08
assign (resid 263 and name HG ) (resid 264 and name HN ) 4.0 2.2 1.0 ! A.89 at 3.47e+07
assign (resid 263 and name HD2# ) (resid 264 and name HN ) 4.0 2.2 1.5 ! A.85 at 3.67e+07
assign (resid 263 and name HB# ) (resid 265 and name HN ) 4.0 2.2 2.5 ! A.358 at 2.03e+07
assign (resid 263 and name HN ) (resid 265 and name HN ) 3.0 1.2 0.5 ! A.531 at 6.99e+07
assign (resid 263 and name HD1# ) (resid 267 and name HN ) 4.0 2.2 1.5 ! A.139 at 3.14e+07

! M64
assign (resid 264 and name HG1 ) (resid 264 and name HN ) 3.0 1.2 0.5 ! A.83 at 7.53e+07
assign (resid 264 and name HB2 ) (resid 264 and name HN ) 3.0 1.2 0.5 ! A.84 at 1.16e+08
assign (resid 264 and name HN ) (resid 265 and name HN ) 3.0 1.2 0.5 ! A.354 at 1.40e+08
assign (resid 264 and name HB1 ) (resid 265 and name HN ) 4.0 2.2 1.0 ! A.356 at 3.71e+07
assign (resid 264 and name HB2 ) (resid 265 and name HN ) 3.0 1.2 0.5 ! A.355 at 7.37e+07
assign (resid 264 and name HB1 ) (resid 266 and name HN ) 4.0 2.2 2.0 ! A.814 at 1.47e+07
assign (resid 264 and name HN ) (resid 281 and name HD1# ) 4.0 2.2 2.5 ! A.91 at 1.54e+07

! D65
assign (resid 265 and name HB1 ) (resid 265 and name HN ) 2.5 0.7 0.4 ! A.350 at 3.65e+08
assign (resid 265 and name HB2 ) (resid 266 and name HN ) 3.0 1.2 0.5 ! A.805 at 1.41e+08
assign (resid 265 and name HN ) (resid 266 and name HN ) 3.0 1.2 0.5 ! A.810 at 1.25e+08

! T66
assign (resid 266 and name HB ) (resid 266 and name HN ) 2.5 0.7 0.4 ! A.808 at 1.92e+08
assign (resid 266 and name HG2# ) (resid 266 and name HN ) 3.0 1.2 1.0 ! A.806 at 9.52e+07
assign (resid 266 and name HN ) (resid 267 and name HN ) 3.0 1.2 0.5 ! A.131 at 1.20e+08
assign (resid 266 and name HG2# ) (resid 267 and name HN ) 4.0 2.2 1.5 ! A.137 at 6.07e+07
assign (resid 266 and name HB ) (resid 267 and name HN ) 3.0 1.2 0.5 ! A.133 at 1.63e+08
assign (resid 266 and name HA ) (resid 269 and name HN ) 3.0 1.2 0.5 ! A.644 at 8.61e+07
assign (resid 266 and name HN ) (resid 269 and name HG1 ) 4.0 2.2 2.0 ! A.815 at 1.48e+07

! F67
assign (resid 267 and name HD# ) (resid 267 and name HN ) 4.0 2.2 1.0 ! A.130 at 4.33e+07
assign (resid 267 and name HB2 ) (resid 267 and name HN ) 3.0 1.2 0.5 ! A.135 at 1.71e+08
assign (resid 267 and name HB1 ) (resid 267 and name HN ) 3.0 1.2 0.5 ! A.136 at 1.27e+08
assign (resid 267 and name HN ) (resid 281 and name HD1# ) 4.0 2.2 1.5 ! A.138 at 2.90e+07

! S68

! K69
assign (resid 269 and name HB# ) (resid 269 and name HN ) 3.0 1.2 1.0 ! A.645 at 9.72e+07
assign (resid 269 and name HG1 ) (resid 269 and name HN ) 4.0 2.2 1.0 ! A.646 at 5.60e+07
assign (resid 269 and name HG2 ) (resid 269 and name HN ) 4.0 2.2 2.0 ! A.647 at 2.20e+07

! Q70
assign (resid 270 and name HG1 ) (resid 270 and name HN ) 4.0 2.2 1.0 ! A.633 at 2.73e+07
assign (resid 270 and name HB# ) (resid 270 and name HN ) 3.0 1.2 1.0 ! A.634 at 1.31e+08
assign (resid 270 and name HB# ) (resid 271 and name HN ) 4.0 2.2 1.5 ! A.400 at 4.88e+07
assign (resid 270 and name HN ) (resid 271 and name HN ) 4.0 2.2 2.0 ! A.399 at 1.68e+07
assign (resid 270 and name HE22 ) (resid 274 and name HG1 ) 4.0 2.2 2.0 ! A.253 at -1.97e+07

! L71
assign (resid 271 and name HD2# ) (resid 271 and name HN ) 4.0 2.2 1.5 ! A.401 at 5.53e+07
assign (resid 271 and name HB2 ) (resid 271 and name HN ) 3.0 1.2 0.5 ! A.398 at 1.18e+08
assign (resid 271 and name HB1 ) (resid 271 and name HN ) 4.0 2.2 1.0 ! A.397 at 4.47e+07
assign (resid 271 and name HN ) (resid 272 and name HN ) 4.0 2.2 1.0 ! A.170 at 2.63e+07
assign (resid 271 and name HD2# ) (resid 272 and name HN ) 4.0 2.2 1.5 ! A.169 at 2.63e+07
assign (resid 271 and name HB1 ) (resid 272 and name HN ) 4.0 2.2 1.0 ! A.168 at 5.58e+07
assign (resid 271 and name HA ) (resid 272 and name HN ) 4.0 2.2 1.0 ! A.165 at 4.92e+07
assign (resid 271 and name HN ) (resid 274 and name HG1 ) 4.0 2.2 2.0 ! A.402 at 2.03e+07
assign (resid 271 and name HG ) (resid 280 and name HN ) 4.0 2.2 2.0 ! A.689 at 1.99e+07
assign (resid 271 and name HG ) (resid 281 and name HN ) 3.0 1.2 0.5 ! A.650 at 1.12e+08

! K72
assign (resid 272 and name HG1 ) (resid 272 and name HN ) 4.0 2.2 1.0 ! A.167 at 6.27e+07
assign (resid 272 and name HB# ) (resid 272 and name HN ) 3.0 1.2 1.0 ! A.166 at 1.80e+08
assign (resid 272 and name HN ) (resid 273 and name HN ) 4.0 2.2 1.0 ! A.551 at 3.66e+07

! L73
assign (resid 273 and name HB2 ) (resid 273 and name HN ) 2.5 0.7 0.4 ! A.548 at 1.87e+08
assign (resid 273 and name HB1 ) (resid 273 and name HN ) 3.0 1.2 0.5 ! A.547 at 1.16e+08
assign (resid 273 and name HN ) (resid 274 and name HG2 ) 4.0 2.2 1.0 ! A.549 at 2.78e+07

! E74
assign (resid 274 and name HB2 ) (resid 274 and name HN ) 3.0 1.2 0.5 ! A.763 at 7.76e+07
assign (resid 274 and name HB1 ) (resid 274 and name HN ) 4.0 2.2 1.0 ! A.762 at 4.47e+07
assign (resid 274 and name HG1 ) (resid 274 and name HN ) 4.0 2.2 1.0 ! A.761 at 5.22e+07

! G75
assign (resid 275 and name HA1 ) (resid 276 and name HN ) 4.0 2.2 1.0 ! A.461 at 4.10e+07

! R76
assign (resid 276 and name HD# ) (resid 276 and name HN ) 4.0 2.2 2.5 ! A.471 at 2.10e+07

! S77

! E78
assign (resid 278 and name HA ) (resid 279 and name HN ) 4.0 2.2 1.0 ! A.345 at 4.90e+07

! D79
assign (resid 279 and name HB2 ) (resid 279 and name HN ) 4.0 2.2 1.0 ! A.344 at 5.81e+07
assign (resid 279 and name HN ) (resid 280 and name HN ) 4.0 2.2 2.0 ! A.694 at 1.86e+07
assign (resid 279 and name HA ) (resid 280 and name HN ) 3.0 1.2 0.5 ! A.684 at 6.46e+07
assign (resid 279 and name HB2 ) (resid 280 and name HN ) 4.0 2.2 1.0 ! A.686 at 3.74e+07

! I80
assign (resid 280 and name HG11 ) (resid 280 and name HN ) 4.0 2.2 1.0 ! A.690 at 3.69e+07
assign (resid 280 and name HG12 ) (resid 280 and name HN ) 4.0 2.2 1.0 ! A.691 at 6.96e+07 (widened1)
assign (resid 280 and name HB ) (resid 280 and name HN ) 3.0 1.2 0.5 ! A.688 at 1.34e+08
assign (resid 280 and name HG2# ) (resid 280 and name HN ) 3.0 1.2 1.0 ! A.692 at 1.63e+08
assign (resid 280 and name HA ) (resid 281 and name HN ) 4.0 2.2 1.0 ! A.651 at 4.28e+07
assign (resid 280 and name HG2# ) (resid 281 and name HN ) 4.0 2.2 1.5 ! A.649 at 3.87e+07
assign (resid 280 and name HN ) (resid 281 and name HN ) 4.0 2.2 1.0 ! A.693 at 5.55e+07
assign (resid 280 and name HG12 ) (resid 283 and name HN ) 4.0 2.2 1.0 ! A.618 at 4.02e+07

! L81
assign (resid 281 and name HD1# ) (resid 281 and name HN ) 4.0 2.2 1.5 ! A.648 at 4.97e+07

! L82
assign (resid 282 and name HB# ) (resid 282 and name HN ) 3.0 1.2 1.0 ! A.611 at 1.49e+08
assign (resid 282 and name HD2# ) (resid 283 and name HN ) 4.0 2.2 1.5 ! A.619 at 3.67e+07
assign (resid 282 and name HB# ) (resid 283 and name HN ) 4.0 2.2 1.5 ! A.617 at 5.74e+07
assign (resid 282 and name HD1# ) (resid 283 and name HN ) 4.0 2.2 1.5 ! A.620 at 2.44e+07

! D83
assign (resid 283 and name HB2 ) (resid 283 and name HN ) 3.0 1.2 0.5 ! A.616 at 7.03e+07
assign (resid 283 and name HB1 ) (resid 283 and name HN ) 3.0 1.2 0.5 ! A.615 at 9.01e+07
assign (resid 283 and name HB2 ) (resid 286 and name HN ) 4.0 2.2 2.0 ! A.770 at 1.69e+07

! Y84
assign (resid 284 and name HB2 ) (resid 285 and name HN ) 4.0 2.2 2.0 ! A.404 at 2.24e+07
assign (resid 284 and name HA ) (resid 286 and name HN ) 4.0 2.2 1.0 ! A.768 at 2.53e+07
assign (resid 284 and name HD# ) (resid 287 and name HN ) 4.0 2.2 2.0 ! A.267 at 2.05e+07
assign (resid 284 and name HA ) (resid 287 and name HN ) 3.0 1.2 0.5 ! A.265 at 7.35e+07

! R85
assign (resid 285 and name HG# ) (resid 286 and name HN ) 4.0 2.2 1.5 ! A.773 at 2.82e+07
assign (resid 285 and name HN ) (resid 286 and name HN ) 4.0 2.2 1.0 ! A.765 at 4.04e+07

! L86
assign (resid 286 and name HD1# ) (resid 286 and name HN ) 4.0 2.2 1.5 ! A.774 at 4.76e+07
assign (resid 286 and name HD2# ) (resid 286 and name HN ) 4.0 2.2 1.5 ! A.775 at 4.76e+07
assign (resid 286 and name HG ) (resid 286 and name HN ) 2.5 0.7 0.4 ! A.772 at 1.99e+08
assign (resid 286 and name HB2 ) (resid 286 and name HN ) 3.0 1.2 0.5 ! A.771 at 1.15e+08
assign (resid 286 and name HN ) (resid 287 and name HN ) 3.0 1.2 0.5 ! A.764 at 6.98e+07
assign (resid 286 and name HD1# ) (resid 287 and name HN ) 4.0 2.2 2.5 ! A.270 at 2.25e+07
assign (resid 286 and name HB1 ) (resid 287 and name HN ) 3.0 1.2 0.5 ! A.260 at 7.45e+07
assign (resid 286 and name HB2 ) (resid 287 and name HN ) 4.0 2.2 1.0 ! A.261 at 6.19e+07
assign (resid 286 and name HN ) (resid 289 and name HD1# ) 4.0 2.2 1.5 ! A.777 at 2.57e+07
assign (resid 286 and name HA ) (resid 290 and name HN ) 4.0 2.2 1.0 ! A.628 at 2.99e+07

! T87
assign (resid 287 and name HB ) (resid 287 and name HN ) 3.0 1.2 0.5 ! A.263 at 1.43e+08
assign (resid 287 and name HG2# ) (resid 287 and name HN ) 4.0 2.2 1.5 ! A.272 at 4.78e+07
assign (resid 287 and name HN ) (resid 288 and name HN ) 4.0 2.2 1.0 ! A.274 at 6.30e+07
assign (resid 287 and name HA ) (resid 288 and name HN ) 4.0 2.2 2.0 ! A.279 at 1.51e+07
assign (resid 287 and name HN ) (resid 288 and name HB2 ) 4.0 2.2 1.0 ! A.271 at 2.47e+07

! L88
assign (resid 288 and name HB1 ) (resid 288 and name HN ) 3.0 1.2 0.5 ! A.281 at 9.06e+07
assign (resid 288 and name HB2 ) (resid 288 and name HN ) 3.0 1.2 0.5 ! A.282 at 9.55e+07
assign (resid 288 and name HD1# ) (resid 288 and name HN ) 4.0 2.2 1.5 ! A.284 at 3.48e+07
assign (resid 288 and name HG ) (resid 288 and name HN ) 4.0 2.2 1.0 ! A.283 at 2.68e+07
assign (resid 288 and name HN ) (resid 289 and name HN ) 4.0 2.2 1.0 ! A.276 at 4.25e+07
assign (resid 288 and name HB1 ) (resid 289 and name HN ) 4.0 2.2 1.0 ! A.717 at 5.01e+07
assign (resid 288 and name HB2 ) (resid 289 and name HN ) 4.0 2.2 1.0 ! A.719 at 4.33e+07
assign (resid 288 and name HG ) (resid 289 and name HN ) 4.0 2.2 1.0 ! A.718 at 2.37e+07
assign (resid 288 and name HD1# ) (resid 289 and name HN ) 4.0 2.2 1.5 ! A.722 at 2.67e+07
assign (resid 288 and name HA ) (resid 291 and name HN ) 4.0 2.2 1.0 ! A.384 at 3.69e+07

! I89
assign (resid 289 and name HG11 ) (resid 289 and name HN ) 2.5 0.7 0.4 ! A.716 at 1.90e+08
assign (resid 289 and name HG12 ) (resid 289 and name HN ) 3.0 1.2 0.5 ! A.721 at 7.11e+07
assign (resid 289 and name HB ) (resid 290 and name HN ) 3.0 1.2 0.5 ! A.624 at 9.69e+07
assign (resid 289 and name HG2# ) (resid 290 and name HN ) 3.0 1.2 1.0 ! A.626 at 9.67e+07
assign (resid 289 and name HA ) (resid 290 and name HN ) 4.0 2.2 2.0 ! A.627 at 2.08e+07
assign (resid 289 and name HA ) (resid 291 and name HN ) 4.0 2.2 2.0 ! A.395 at 1.70e+07
assign (resid 289 and name HA ) (resid 292 and name HN ) 4.0 2.2 2.0 ! A.57 at 1.95e+07
assign (resid 289 and name HA ) (resid 293 and name HN ) 4.0 2.2 2.0 ! A.6 at -2.10e+07

! D90
assign (resid 290 and name HB# ) (resid 290 and name HN ) 2.5 0.7 0.9 ! A.623 at 1.85e+08
assign (resid 290 and name HN ) (resid 291 and name HN ) 3.0 1.2 0.5 ! A.629 at 8.05e+07
assign (resid 290 and name HB# ) (resid 291 and name HN ) 3.0 1.2 1.0 ! A.387 at 7.68e+07
assign (resid 290 and name HA ) (resid 291 and name HN ) 4.0 2.2 1.0 ! A.385 at 2.85e+07
assign (resid 290 and name HA ) (resid 293 and name HN ) 4.0 2.2 1.0 ! A.7 at -2.77e+07

! V91
assign (resid 291 and name HG2# ) (resid 291 and name HN ) 3.0 1.2 1.0 ! A.389 at 1.72e+08
assign (resid 291 and name HG1# ) (resid 291 and name HN ) 3.0 1.2 1.0 ! A.390 at 1.00e+08
assign (resid 291 and name HB ) (resid 291 and name HN ) 3.0 1.2 0.5 ! A.388 at 1.50e+08
assign (resid 291 and name HN ) (resid 292 and name HN ) 3.0 1.2 0.5 ! A.391 at 7.99e+07
assign (resid 291 and name HB ) (resid 292 and name HN ) 4.0 2.2 1.0 ! A.59 at 5.89e+07
assign (resid 291 and name HA ) (resid 292 and name HN ) 4.0 2.2 1.0 ! A.56 at 2.32e+07
assign (resid 291 and name HG1# ) (resid 292 and name HN ) 3.0 1.2 1.0 ! A.64 at 1.52e+08
assign (resid 291 and name HA ) (resid 294 and name HN ) 4.0 2.2 1.0 ! A.817 at 4.34e+07
assign (resid 291 and name HA ) (resid 295 and name HN ) 4.0 2.2 1.0 ! A.158 at 2.76e+07

! I92
assign (resid 292 and name HG11 ) (resid 292 and name HN ) 3.0 1.2 0.5 ! A.61 at 6.98e+07
assign (resid 292 and name HG12 ) (resid 292 and name HN ) 4.0 2.2 1.0 ! A.63 at 5.43e+07
assign (resid 292 and name HG2# ) (resid 292 and name HN ) 3.0 1.2 1.0 ! A.65 at 1.15e+08
assign (resid 292 and name HB ) (resid 292 and name HN ) 3.0 1.2 0.5 ! A.60 at 7.92e+07
assign (resid 292 and name HN ) (resid 293 and name HB# ) 4.0 2.2 1.5 ! A.62 at 2.68e+07
assign (resid 292 and name HG11 ) (resid 293 and name HN ) 4.0 2.2 1.0 ! A.5 at -3.54e+07
assign (resid 292 and name HN ) (resid 293 and name HN ) 3.0 1.2 0.5 ! A.3 at -6.77e+07
assign (resid 292 and name HG2# ) (resid 293 and name HN ) 3.0 1.2 1.0 ! A.11 at -7.11e+07
assign (resid 292 and name HG12 ) (resid 293 and name HN ) 4.0 2.2 1.0 ! A.10 at -3.14e+07
assign (resid 292 and name HB ) (resid 293 and name HN ) 4.0 2.2 1.0 ! A.8 at -5.53e+07
assign (resid 292 and name HG2# ) (resid 294 and name HN ) 4.0 2.2 2.5 ! A.821 at 2.25e+07
assign (resid 292 and name HA ) (resid 295 and name HN ) 3.0 1.2 0.5 ! A.160 at 6.41e+07
assign (resid 292 and name HA ) (resid 296 and name HN ) 4.0 2.2 1.0 ! A.39 at 3.74e+07

! A93
assign (resid 293 and name HB# ) (resid 293 and name HN ) 2.5 0.7 0.9 ! A.4 at -2.47e+08
assign (resid 293 and name HB# ) (resid 294 and name HN ) 3.0 1.2 1.0 ! A.822 at 1.68e+08
assign (resid 293 and name HN ) (resid 294 and name HN ) 3.0 1.2 0.5 ! A.820 at 1.23e+08
assign (resid 293 and name HN ) (resid 295 and name HN ) 4.0 2.2 2.0 ! A.78 at -1.55e+07
assign (resid 293 and name HN ) (resid 296 and name HB2 ) 4.0 2.2 2.0 ! A.12 at -1.36e+07

! H94
assign (resid 294 and name HB# ) (resid 294 and name HN ) 2.5 0.7 0.9 ! A.816 at 1.81e+08
assign (resid 294 and name HA ) (resid 295 and name HN ) 4.0 2.2 1.0 ! A.161 at 3.92e+07
assign (resid 294 and name HB# ) (resid 295 and name HN ) 3.0 1.2 1.0 ! A.157 at 6.92e+07
assign (resid 294 and name HN ) (resid 295 and name HN ) 3.0 1.2 0.5 ! A.162 at 1.18e+08
assign (resid 294 and name HA ) (resid 296 and name HN ) 4.0 2.2 1.0 ! A.42 at 2.39e+07
assign (resid 294 and name HA ) (resid 297 and name HN ) 4.0 2.2 2.0 ! A.494 at 1.94e+07
assign (resid 294 and name HA ) (resid 298 and name HN ) 4.0 2.2 2.0 ! A.292 at 2.16e+07

! L95
assign (resid 295 and name HB1 ) (resid 295 and name HN ) 3.0 1.2 0.5 ! A.155 at 1.44e+08
assign (resid 295 and name HD2# ) (resid 295 and name HN ) 3.0 1.2 1.0 ! A.152 at 9.34e+07
assign (resid 295 and name HB2 ) (resid 295 and name HN ) 3.0 1.2 0.5 ! A.156 at 1.64e+08
assign (resid 295 and name HN ) (resid 296 and name HN ) 3.0 1.2 0.5 ! A.151 at 9.80e+07
assign (resid 295 and name HB1 ) (resid 296 and name HN ) 3.0 1.2 0.5 ! A.38 at 8.92e+07
assign (resid 295 and name HD1# ) (resid 298 and name HN ) 4.0 2.2 1.5 ! A.297 at 3.12e+07
assign (resid 295 and name HD1# ) (resid 299 and name HN ) 4.0 2.2 1.5 ! A.754 at 4.05e+07

! C96
assign (resid 296 and name HB1 ) (resid 296 and name HN ) 3.0 1.2 0.5 ! A.36 at 1.89e+08 (widened1)
assign (resid 296 and name HB1 ) (resid 297 and name HN ) 4.0 2.2 2.0 ! A.492 at 2.17e+07
assign (resid 296 and name HN ) (resid 297 and name HN ) 4.0 2.2 1.0 ! A.485 at 4.33e+07
assign (resid 296 and name HB2 ) (resid 297 and name HN ) 4.0 2.2 1.0 ! A.493 at 2.86e+07
assign (resid 296 and name HN ) (resid 298 and name HN ) 4.0 2.2 2.0 ! A.290 at 1.87e+07
assign (resid 296 and name HA ) (resid 299 and name HN ) 2.5 0.7 0.4 ! A.759 at 4.18e+08

! E97
assign (resid 297 and name HB2 ) (resid 297 and name HN ) 3.0 1.2 0.5 ! A.489 at 6.82e+07
assign (resid 297 and name HG1 ) (resid 297 and name HN ) 4.0 2.2 1.0 ! A.490 at 2.75e+07
assign (resid 297 and name HB1 ) (resid 297 and name HN ) 4.0 2.2 1.0 ! A.488 at 5.56e+07
assign (resid 297 and name HG2 ) (resid 297 and name HN ) 4.0 2.2 1.0 ! A.491 at 3.22e+07
assign (resid 297 and name HN ) (resid 298 and name HN ) 3.0 1.2 0.5 ! A.495 at 6.62e+07
assign (resid 297 and name HG1 ) (resid 298 and name HN ) 4.0 2.2 2.0 ! A.296 at 1.96e+07
assign (resid 297 and name HG2 ) (resid 298 and name HN ) 4.0 2.2 1.0 ! A.295 at 3.29e+07
assign (resid 297 and name HA ) (resid 298 and name HN ) 4.0 2.2 1.0 ! A.293 at 3.48e+07
assign (resid 297 and name HA ) (resid 300 and name HN ) 4.0 2.2 1.0 ! A.378 at 4.41e+07

! M98
assign (resid 298 and name HG1 ) (resid 298 and name HN ) 3.0 1.2 0.5 ! A.294 at 9.51e+07
assign (resid 298 and name HB2 ) (resid 298 and name HN ) 3.0 1.2 0.5 ! A.289 at 1.23e+08
assign (resid 298 and name HB1 ) (resid 298 and name HN ) 2.5 0.7 0.4 ! A.288 at 1.85e+08
assign (resid 298 and name HN ) (resid 299 and name HN ) 3.0 1.2 0.5 ! A.291 at 1.62e+08
assign (resid 298 and name HA ) (resid 299 and name HN ) 4.0 2.2 1.0 ! A.751 at 4.70e+07
assign (resid 298 and name HN ) (resid 300 and name HN ) 4.0 2.2 1.0 ! A.298 at 2.84e+07
assign (resid 298 and name HA ) (resid 301 and name HN ) 4.0 2.2 1.0 ! A.826 at 3.25e+07
assign (resid 298 and name HA ) (resid 302 and name HN ) 4.0 2.2 2.0 ! A.200 at 1.95e+07

! Y99
assign (resid 299 and name HB2 ) (resid 299 and name HN ) 3.0 1.2 0.5 ! A.752 at 9.32e+07
assign (resid 299 and name HB1 ) (resid 299 and name HN ) 4.0 2.2 1.0 ! A.753 at 5.87e+07
assign (resid 299 and name HA ) (resid 300 and name HN ) 4.0 2.2 1.0 ! A.379 at 2.63e+07
assign (resid 299 and name HN ) (resid 300 and name HN ) 4.0 2.2 1.0 ! A.381 at 6.39e+07
assign (resid 299 and name HN ) (resid 300 and name HB2 ) 4.0 2.2 1.0 ! A.755 at 3.14e+07
assign (resid 299 and name HB1 ) (resid 302 and name HN ) 4.0 2.2 2.0 ! A.201 at 1.47e+07

! R100
assign (resid 300 and name HG# ) (resid 300 and name HN ) 3.0 1.2 1.0 ! A.377 at 1.13e+08
assign (resid 300 and name HB1 ) (resid 300 and name HN ) 3.0 1.2 0.5 ! A.376 at 7.79e+07
assign (resid 300 and name HN ) (resid 301 and name HN ) 4.0 2.2 1.0 ! A.382 at 5.29e+07
assign (resid 300 and name HG# ) (resid 301 and name HN ) 4.0 2.2 1.5 ! A.831 at 5.10e+07
assign (resid 300 and name HA ) (resid 301 and name HN ) 4.0 2.2 1.0 ! A.827 at 3.22e+07
assign (resid 300 and name HA ) (resid 302 and name HN ) 4.0 2.2 2.0 ! A.202 at 1.96e+07

! R101
assign (resid 301 and name HD2 ) (resid 301 and name HN ) 4.0 2.2 1.0 ! A.828 at 3.92e+07
assign (resid 301 and name HG2 ) (resid 301 and name HN ) 3.0 1.2 0.5 ! A.830 at 1.21e+08
assign (resid 301 and name HG1 ) (resid 301 and name HN ) 2.5 0.7 0.4 ! A.829 at 1.94e+08
assign (resid 301 and name HN ) (resid 302 and name HN ) 4.0 2.2 1.0 ! A.832 at 5.83e+07
assign (resid 301 and name HB2 ) (resid 302 and name HN ) 3.0 1.2 0.5 ! A.203 at 8.80e+07
assign (resid 301 and name HA ) (resid 302 and name HN ) 4.0 2.2 1.0 ! A.198 at 6.11e+07

! S102
assign (resid 302 and name HB# ) (resid 302 and name HN ) 2.5 0.7 0.9 ! A.197 at 1.97e+08
assign (resid 302 and name HN ) (resid 303 and name HN ) 3.0 1.2 0.5 ! A.195 at 1.69e+08
assign (resid 302 and name HN ) (resid 303 and name HG12 ) 3.0 1.2 0.5 ! A.205 at 6.58e+07

! I103
assign (resid 103 and name HG2# ) (resid 103 and name HN ) 3.0 1.2 1.0 ! A.855 at 9.83e+07
assign (resid 103 and name HG12 ) (resid 103 and name HN ) 3.0 1.2 0.5 ! A.852 at 1.68e+08
assign (resid 101 and name HN ) (resid 103 and name HN) 4.0 2.2 2.0 ! A.851 at 2.08e+07
assign (resid 103 and name HB ) (resid 103 and name HN ) 2.5 0.7 0.4 ! A.849 at 2.29e+08
assign (resid 100 and name HA ) (resid 103 and name HN ) 4.0 2.2 2.0 ! A.846 at 1.99e+07
assign (resid 102 and name HN ) (resid 103 and name HN ) 3.0 1.2 0.5 ! A.850 at 1.23e+08

! P104
assign (resid 304 and name HB1 ) (resid 305 and name HN ) 4.0 2.2 1.0 ! A.346 at 2.77e+07
assign (resid 304 and name HB2 ) (resid 305 and name HN ) 4.0 2.2 1.0 ! A.347 at 2.78e+07

! R105
assign (resid 305 and name HB1 ) (resid 305 and name HN ) 4.0 2.2 1.0 ! A.348 at 4.58e+07
assign (resid 305 and name HB2 ) (resid 305 and name HN ) 3.0 1.2 0.5 ! A.349 at 6.81e+07
assign (resid 305 and name HA ) (resid 307 and name HN ) 3.0 1.2 0.5 ! A.259 at -1.00e+08

! E106
assign (resid 306 and name HB2 ) (resid 307 and name HN ) 4.0 2.2 2.0 ! A.257 at -1.92e+07
assign (resid 306 and name HA ) (resid 307 and name HN ) 3.0 1.2 0.5 ! A.254 at -1.78e+08
assign (resid 306 and name HB1 ) (resid 307 and name HN ) 4.0 2.2 1.0 ! A.256 at -5.09e+07

! V107
assign (resid 307 and name HG1# ) (resid 307 and name HN ) 4.0 2.2 1.5 ! A.258 at -3.16e+07

! 108


!@ END_XPLR_NOE_FILE
! MET 2
 assign ( resid 1 and name c ) ( resid 2 and name n )
 ( resid 2 and name ca) ( resid 2 and name c )
 ( resid 3 and name n )    55.71 34.73
 
! MET 202
 assign ( resid 201 and name c ) ( resid 202 and name n )
 ( resid 202 and name ca) ( resid 202 and name c )
 ( resid 203 and name n )   55.71 34.73
 
! ALA 3
 assign ( resid 2 and name c ) ( resid 3 and name n )
 ( resid 3 and name ca) ( resid 3 and name c )
 ( resid 4 and name n )    52.58 19.59
 
! ALA 203
 assign ( resid 202 and name c ) ( resid 203 and name n )
 ( resid 203 and name ca) ( resid 203 and name c )
 ( resid 204 and name n )   52.58 19.59
 
! ARG 4
 assign ( resid 3 and name c ) ( resid 4 and name n )
 ( resid 4 and name ca) ( resid 4 and name c )
 ( resid 5 and name n )    56.46 32.87
 
! ARG 204
 assign ( resid 203 and name c ) ( resid 204 and name n )
 ( resid 204 and name ca) ( resid 204 and name c )
 ( resid 205 and name n )   56.46 32.87
 
! MET 5
 assign ( resid 4 and name c ) ( resid 5 and name n )
 ( resid 5 and name ca) ( resid 5 and name c )
 ( resid 6 and name n )    55.93 33.42
 
! MET 205
 assign ( resid 204 and name c ) ( resid 205 and name n )
 ( resid 205 and name ca) ( resid 205 and name c )
 ( resid 206 and name n )   55.93 33.42
 
! SER 6
 assign ( resid 5 and name c ) ( resid 6 and name n )
 ( resid 6 and name ca) ( resid 6 and name c )
 ( resid 7 and name n )    56.80 63.41
 
! SER 206
 assign ( resid 205 and name c ) ( resid 206 and name n )
 ( resid 206 and name ca) ( resid 206 and name c )
 ( resid 207 and name n )   56.80 63.41
 
! PRO 7
 assign ( resid 6 and name c ) ( resid 7 and name n )
 ( resid 7 and name ca) ( resid 7 and name c )
 ( resid 8 and name n )    65.53 31.92
 
! PRO 207
 assign ( resid 206 and name c ) ( resid 207 and name n )
 ( resid 207 and name ca) ( resid 207 and name c )
 ( resid 208 and name n )   65.53 31.92
 
! ALA 8
 assign ( resid 7 and name c ) ( resid 8 and name n )
 ( resid 8 and name ca) ( resid 8 and name c )
 ( resid 9 and name n )    54.76 18.75
 
! ALA 208
 assign ( resid 207 and name c ) ( resid 208 and name n )
 ( resid 208 and name ca) ( resid 208 and name c )
 ( resid 209 and name n )   54.76 18.75
 
! ASP 9
 assign ( resid 8 and name c ) ( resid 9 and name n )
 ( resid 9 and name ca) ( resid 9 and name c )
 ( resid 10 and name n )    56.61 40.72
 
! ASP 209
 assign ( resid 208 and name c ) ( resid 209 and name n )
 ( resid 209 and name ca) ( resid 209 and name c )
 ( resid 210 and name n )   56.61 40.72
 
! LYS 10
 assign ( resid 9 and name c ) ( resid 10 and name n )
 ( resid 10 and name ca) ( resid 10 and name c )
 ( resid 11 and name n )    59.55 32.26
 
! LYS 210
 assign ( resid 209 and name c ) ( resid 210 and name n )
 ( resid 210 and name ca) ( resid 210 and name c )
 ( resid 211 and name n )   59.55 32.26
 
! ARG 11
 assign ( resid 10 and name c ) ( resid 11 and name n )
 ( resid 11 and name ca) ( resid 11 and name c )
 ( resid 12 and name n )    59.54 29.92
 
! ARG 211
 assign ( resid 210 and name c ) ( resid 211 and name n )
 ( resid 211 and name ca) ( resid 211 and name c )
 ( resid 212 and name n )   59.54 29.92
 
! LYS 12
 assign ( resid 11 and name c ) ( resid 12 and name n )
 ( resid 12 and name ca) ( resid 12 and name c )
 ( resid 13 and name n )    59.46 32.53
 
! LYS 212
 assign ( resid 211 and name c ) ( resid 212 and name n )
 ( resid 212 and name ca) ( resid 212 and name c )
 ( resid 213 and name n )   59.46 32.53
 
! LEU 13
 assign ( resid 12 and name c ) ( resid 13 and name n )
 ( resid 13 and name ca) ( resid 13 and name c )
 ( resid 14 and name n )    57.54 41.46
 
! LEU 213
 assign ( resid 212 and name c ) ( resid 213 and name n )
 ( resid 213 and name ca) ( resid 213 and name c )
 ( resid 214 and name n )   57.54 41.46
 
! LEU 14
 assign ( resid 13 and name c ) ( resid 14 and name n )
 ( resid 14 and name ca) ( resid 14 and name c )
 ( resid 15 and name n )    58.52 41.40
 
! LEU 214
 assign ( resid 213 and name c ) ( resid 214 and name n )
 ( resid 214 and name ca) ( resid 214 and name c )
 ( resid 215 and name n )   58.52 41.40
 
! ASP 15
 assign ( resid 14 and name c ) ( resid 15 and name n )
 ( resid 15 and name ca) ( resid 15 and name c )
 ( resid 16 and name n )    57.96 40.24
 
! ASP 215
 assign ( resid 214 and name c ) ( resid 215 and name n )
 ( resid 215 and name ca) ( resid 215 and name c )
 ( resid 216 and name n )   57.96 40.24
 
! GLU 16
 assign ( resid 15 and name c ) ( resid 16 and name n )
 ( resid 16 and name ca) ( resid 16 and name c )
 ( resid 17 and name n )    59.82 29.59
 
! GLU 216
 assign ( resid 215 and name c ) ( resid 216 and name n )
 ( resid 216 and name ca) ( resid 216 and name c )
 ( resid 217 and name n )   59.82 29.59
 
! LEU 17
 assign ( resid 16 and name c ) ( resid 17 and name n )
 ( resid 17 and name ca) ( resid 17 and name c )
 ( resid 18 and name n )    58.53 40.86
 
! LEU 217
 assign ( resid 216 and name c ) ( resid 217 and name n )
 ( resid 217 and name ca) ( resid 217 and name c )
 ( resid 218 and name n )   58.53 40.86
 
! ARG 18
 assign ( resid 17 and name c ) ( resid 18 and name n )
 ( resid 18 and name ca) ( resid 18 and name c )
 ( resid 19 and name n )    60.77 30.51
 
! ARG 218
 assign ( resid 217 and name c ) ( resid 218 and name n )
 ( resid 218 and name ca) ( resid 218 and name c )
 ( resid 219 and name n )   60.77 30.51
 
! SER 19
 assign ( resid 18 and name c ) ( resid 19 and name n )
 ( resid 19 and name ca) ( resid 19 and name c )
 ( resid 20 and name n )    61.90 63.09
 
! SER 219
 assign ( resid 218 and name c ) ( resid 219 and name n )
 ( resid 219 and name ca) ( resid 219 and name c )
 ( resid 220 and name n )   61.90 63.09
 
! ILE 20
 assign ( resid 19 and name c ) ( resid 20 and name n )
 ( resid 20 and name ca) ( resid 20 and name c )
 ( resid 21 and name n )    65.61 39.15
 
! ILE 220
 assign ( resid 219 and name c ) ( resid 220 and name n )
 ( resid 220 and name ca) ( resid 220 and name c )
 ( resid 221 and name n )   65.61 39.15
 
! TYR 21
 assign ( resid 20 and name c ) ( resid 21 and name n )
 ( resid 21 and name ca) ( resid 21 and name c )
 ( resid 22 and name n )    63.12 38.78
 
! TYR 221
 assign ( resid 220 and name c ) ( resid 221 and name n )
 ( resid 221 and name ca) ( resid 221 and name c )
 ( resid 222 and name n )   63.12 38.78
 
! ARG 22
 assign ( resid 21 and name c ) ( resid 22 and name n )
 ( resid 22 and name ca) ( resid 22 and name c )
 ( resid 23 and name n )    60.20 29.56
 
! ARG 222
 assign ( resid 221 and name c ) ( resid 222 and name n )
 ( resid 222 and name ca) ( resid 222 and name c )
 ( resid 223 and name n )   60.20 29.56
 
! THR 23
 assign ( resid 22 and name c ) ( resid 23 and name n )
 ( resid 23 and name ca) ( resid 23 and name c )
 ( resid 24 and name n )    67.06 68.79
 
! THR 223
 assign ( resid 222 and name c ) ( resid 223 and name n )
 ( resid 223 and name ca) ( resid 223 and name c )
 ( resid 224 and name n )   67.06 68.79
 
! ILE 24
 assign ( resid 23 and name c ) ( resid 24 and name n )
 ( resid 24 and name ca) ( resid 24 and name c )
 ( resid 25 and name n )    66.24 37.33
 
! ILE 224
 assign ( resid 223 and name c ) ( resid 224 and name n )
 ( resid 224 and name ca) ( resid 224 and name c )
 ( resid 225 and name n )   66.24 37.33
 
! VAL 25
 assign ( resid 24 and name c ) ( resid 25 and name n )
 ( resid 25 and name ca) ( resid 25 and name c )
 ( resid 26 and name n )    66.96 31.48
 
! VAL 225
 assign ( resid 224 and name c ) ( resid 225 and name n )
 ( resid 225 and name ca) ( resid 225 and name c )
 ( resid 226 and name n )   66.96 31.48
 
! LEU 26
 assign ( resid 25 and name c ) ( resid 26 and name n )
 ( resid 26 and name ca) ( resid 26 and name c )
 ( resid 27 and name n )    57.80 42.16
 
! LEU 226
 assign ( resid 225 and name c ) ( resid 226 and name n )
 ( resid 226 and name ca) ( resid 226 and name c )
 ( resid 227 and name n )   57.80 42.16
 
! GLU 27
 assign ( resid 26 and name c ) ( resid 27 and name n )
 ( resid 27 and name ca) ( resid 27 and name c )
 ( resid 28 and name n )    56.61 30.88
 
! GLU 227
 assign ( resid 226 and name c ) ( resid 227 and name n )
 ( resid 227 and name ca) ( resid 227 and name c )
 ( resid 228 and name n )   56.61 30.88
 
! TYR 28
 assign ( resid 27 and name c ) ( resid 28 and name n )
 ( resid 28 and name ca) ( resid 28 and name c )
 ( resid 29 and name n )    63.92 38.94
 
! TYR 228
 assign ( resid 227 and name c ) ( resid 228 and name n )
 ( resid 228 and name ca) ( resid 228 and name c )
 ( resid 229 and name n )   63.92 38.94
 
! PHE 29
 assign ( resid 28 and name c ) ( resid 29 and name n )
 ( resid 29 and name ca) ( resid 29 and name c )
 ( resid 30 and name n )    57.81 38.54
 
! PHE 229
 assign ( resid 228 and name c ) ( resid 229 and name n )
 ( resid 229 and name ca) ( resid 229 and name c )
 ( resid 230 and name n )   57.81 38.54
 
! ASN 30
 assign ( resid 29 and name c ) ( resid 30 and name n )
 ( resid 30 and name ca) ( resid 30 and name c )
 ( resid 31 and name n )    52.67 38.58
 
! ASN 230
 assign ( resid 229 and name c ) ( resid 230 and name n )
 ( resid 230 and name ca) ( resid 230 and name c )
 ( resid 231 and name n )   52.67 38.58
 
! THR 31
 assign ( resid 30 and name c ) ( resid 31 and name n )
 ( resid 31 and name ca) ( resid 31 and name c )
 ( resid 32 and name n )    64.03 69.08
 
! THR 231
 assign ( resid 230 and name c ) ( resid 231 and name n )
 ( resid 231 and name ca) ( resid 231 and name c )
 ( resid 232 and name n )   64.03 69.08
 
! ASP 32
 assign ( resid 31 and name c ) ( resid 32 and name n )
 ( resid 32 and name ca) ( resid 32 and name c )
 ( resid 33 and name n )    54.64 41.15
 
! ASP 232
 assign ( resid 231 and name c ) ( resid 232 and name n )
 ( resid 232 and name ca) ( resid 232 and name c )
 ( resid 233 and name n )   54.64 41.15
 
! ALA 33
 assign ( resid 32 and name c ) ( resid 33 and name n )
 ( resid 33 and name ca) ( resid 33 and name c )
 ( resid 34 and name n )    52.36 20.33
 
! ALA 233
 assign ( resid 232 and name c ) ( resid 233 and name n )
 ( resid 233 and name ca) ( resid 233 and name c )
 ( resid 234 and name n )   52.36 20.33
 
! LYS 34
 assign ( resid 33 and name c ) ( resid 34 and name n )
 ( resid 34 and name ca) ( resid 34 and name c )
 ( resid 35 and name n )    55.48 30.91
 
! LYS 234
 assign ( resid 233 and name c ) ( resid 234 and name n )
 ( resid 234 and name ca) ( resid 234 and name c )
 ( resid 235 and name n )   55.48 30.91
 
! VAL 35
 assign ( resid 34 and name c ) ( resid 35 and name n )
 ( resid 35 and name ca) ( resid 35 and name c )
 ( resid 36 and name n )    64.87 32.24
 
! VAL 235
 assign ( resid 234 and name c ) ( resid 235 and name n )
 ( resid 235 and name ca) ( resid 235 and name c )
 ( resid 236 and name n )   64.87 32.24
 
! ASN 36
 assign ( resid 35 and name c ) ( resid 36 and name n )
 ( resid 36 and name ca) ( resid 36 and name c )
 ( resid 37 and name n )    57.01 37.26
 
! ASN 236
 assign ( resid 235 and name c ) ( resid 236 and name n )
 ( resid 236 and name ca) ( resid 236 and name c )
 ( resid 237 and name n )   57.01 37.26
 
! GLU 37
 assign ( resid 36 and name c ) ( resid 37 and name n )
 ( resid 37 and name ca) ( resid 37 and name c )
 ( resid 38 and name n )    59.45 29.60
 
! GLU 237
 assign ( resid 236 and name c ) ( resid 237 and name n )
 ( resid 237 and name ca) ( resid 237 and name c )
 ( resid 238 and name n )   59.45 29.60
 
! ARG 38
 assign ( resid 37 and name c ) ( resid 38 and name n )
 ( resid 38 and name ca) ( resid 38 and name c )
 ( resid 39 and name n )    57.95 31.03
 
! ARG 238
 assign ( resid 237 and name c ) ( resid 238 and name n )
 ( resid 238 and name ca) ( resid 238 and name c )
 ( resid 239 and name n )   57.95 31.03
 
! ILE 39
 assign ( resid 38 and name c ) ( resid 39 and name n )
 ( resid 39 and name ca) ( resid 39 and name c )
 ( resid 40 and name n )    66.83 37.74
 
! ILE 239
 assign ( resid 238 and name c ) ( resid 239 and name n )
 ( resid 239 and name ca) ( resid 239 and name c )
 ( resid 240 and name n )   66.83 37.74
 
! ASP 40
 assign ( resid 39 and name c ) ( resid 40 and name n )
 ( resid 40 and name ca) ( resid 40 and name c )
 ( resid 41 and name n )    58.02 40.70
 
! ASP 240
 assign ( resid 239 and name c ) ( resid 240 and name n )
 ( resid 240 and name ca) ( resid 240 and name c )
 ( resid 241 and name n )   58.02 40.70
 
! GLU 41
 assign ( resid 40 and name c ) ( resid 41 and name n )
 ( resid 41 and name ca) ( resid 41 and name c )
 ( resid 42 and name n )    59.88 29.59
 
! GLU 241
 assign ( resid 240 and name c ) ( resid 241 and name n )
 ( resid 241 and name ca) ( resid 241 and name c )
 ( resid 242 and name n )   59.88 29.59
 
! PHE 42
 assign ( resid 41 and name c ) ( resid 42 and name n )
 ( resid 42 and name ca) ( resid 42 and name c )
 ( resid 43 and name n )    62.47 40.16
 
! PHE 242
 assign ( resid 241 and name c ) ( resid 242 and name n )
 ( resid 242 and name ca) ( resid 242 and name c )
 ( resid 243 and name n )   62.47 40.16
 
! VAL 43
 assign ( resid 42 and name c ) ( resid 43 and name n )
 ( resid 43 and name ca) ( resid 43 and name c )
 ( resid 44 and name n )    66.85 31.48
 
! VAL 243
 assign ( resid 242 and name c ) ( resid 243 and name n )
 ( resid 243 and name ca) ( resid 243 and name c )
 ( resid 244 and name n )   66.85 31.48
 
! SER 44
 assign ( resid 43 and name c ) ( resid 44 and name n )
 ( resid 44 and name ca) ( resid 44 and name c )
 ( resid 45 and name n )    63.02 62.99
 
! SER 244
 assign ( resid 243 and name c ) ( resid 244 and name n )
 ( resid 244 and name ca) ( resid 244 and name c )
 ( resid 245 and name n )   63.02 62.99
 
! LYS 45
 assign ( resid 44 and name c ) ( resid 45 and name n )
 ( resid 45 and name ca) ( resid 45 and name c )
 ( resid 46 and name n )    60.02 33.06
 
! LYS 245
 assign ( resid 244 and name c ) ( resid 245 and name n )
 ( resid 245 and name ca) ( resid 245 and name c )
 ( resid 246 and name n )   60.02 33.06
 
! ALA 46
 assign ( resid 45 and name c ) ( resid 46 and name n )
 ( resid 46 and name ca) ( resid 46 and name c )
 ( resid 47 and name n )    55.08 18.21
 
! ALA 246
 assign ( resid 245 and name c ) ( resid 246 and name n )
 ( resid 246 and name ca) ( resid 246 and name c )
 ( resid 247 and name n )   55.08 18.21
 
! PHE 47
 assign ( resid 46 and name c ) ( resid 47 and name n )
 ( resid 47 and name ca) ( resid 47 and name c )
 ( resid 48 and name n )    61.49 39.92
 
! PHE 247
 assign ( resid 246 and name c ) ( resid 247 and name n )
 ( resid 247 and name ca) ( resid 247 and name c )
 ( resid 248 and name n )   61.49 39.92
 
! PHE 48
 assign ( resid 47 and name c ) ( resid 48 and name n )
 ( resid 48 and name ca) ( resid 48 and name c )
 ( resid 49 and name n )    61.18 38.71
 
! PHE 248
 assign ( resid 247 and name c ) ( resid 248 and name n )
 ( resid 248 and name ca) ( resid 248 and name c )
 ( resid 249 and name n )   61.18 38.71
 
! ALA 49
 assign ( resid 48 and name c ) ( resid 49 and name n )
 ( resid 49 and name ca) ( resid 49 and name c )
 ( resid 50 and name n )    52.07 20.08
 
! ALA 249
 assign ( resid 248 and name c ) ( resid 249 and name n )
 ( resid 249 and name ca) ( resid 249 and name c )
 ( resid 250 and name n )   52.07 20.08
 
! ASP 50
 assign ( resid 49 and name c ) ( resid 50 and name n )
 ( resid 50 and name ca) ( resid 50 and name c )
 ( resid 51 and name n )    54.89 40.03
 
! ASP 250
 assign ( resid 249 and name c ) ( resid 250 and name n )
 ( resid 250 and name ca) ( resid 250 and name c )
 ( resid 251 and name n )   54.89 40.03
 
! ILE 51
 assign ( resid 50 and name c ) ( resid 51 and name n )
 ( resid 51 and name ca) ( resid 51 and name c )
 ( resid 52 and name n )    59.66 37.50
 
! ILE 251
 assign ( resid 250 and name c ) ( resid 251 and name n )
 ( resid 251 and name ca) ( resid 251 and name c )
 ( resid 252 and name n )   59.66 37.50
 
! SER 52
 assign ( resid 51 and name c ) ( resid 52 and name n )
 ( resid 52 and name ca) ( resid 52 and name c )
 ( resid 53 and name n )    56.95 65.63
 
! SER 252
 assign ( resid 251 and name c ) ( resid 252 and name n )
 ( resid 252 and name ca) ( resid 252 and name c )
 ( resid 253 and name n )   56.95 65.63
 
! VAL 53
 assign ( resid 52 and name c ) ( resid 53 and name n )
 ( resid 53 and name ca) ( resid 53 and name c )
 ( resid 54 and name n )    67.21 31.30
 
! VAL 253
 assign ( resid 252 and name c ) ( resid 253 and name n )
 ( resid 253 and name ca) ( resid 253 and name c )
 ( resid 254 and name n )   67.21 31.30
 
! SER 54
 assign ( resid 53 and name c ) ( resid 54 and name n )
 ( resid 54 and name ca) ( resid 54 and name c )
 ( resid 55 and name n )    62.28 62.09
 
! SER 254
 assign ( resid 253 and name c ) ( resid 254 and name n )
 ( resid 254 and name ca) ( resid 254 and name c )
 ( resid 255 and name n )   62.28 62.09
 
! GLN 55
 assign ( resid 54 and name c ) ( resid 55 and name n )
 ( resid 55 and name ca) ( resid 55 and name c )
 ( resid 56 and name n )    58.93 29.48
 
! GLN 255
 assign ( resid 254 and name c ) ( resid 255 and name n )
 ( resid 255 and name ca) ( resid 255 and name c )
 ( resid 256 and name n )   58.93 29.48
 
! VAL 56
 assign ( resid 55 and name c ) ( resid 56 and name n )
 ( resid 56 and name ca) ( resid 56 and name c )
 ( resid 57 and name n )    67.17 30.96
 
! VAL 256
 assign ( resid 255 and name c ) ( resid 256 and name n )
 ( resid 256 and name ca) ( resid 256 and name c )
 ( resid 257 and name n )   67.17 30.96
 
! LEU 57
 assign ( resid 56 and name c ) ( resid 57 and name n )
 ( resid 57 and name ca) ( resid 57 and name c )
 ( resid 58 and name n )    59.04 41.16
 
! LEU 257
 assign ( resid 256 and name c ) ( resid 257 and name n )
 ( resid 257 and name ca) ( resid 257 and name c )
 ( resid 258 and name n )   59.04 41.16
 
! GLU 58
 assign ( resid 57 and name c ) ( resid 58 and name n )
 ( resid 58 and name ca) ( resid 58 and name c )
 ( resid 59 and name n )    59.98 30.06
 
! GLU 258
 assign ( resid 257 and name c ) ( resid 258 and name n )
 ( resid 258 and name ca) ( resid 258 and name c )
 ( resid 259 and name n )   59.98 30.06
 
! ILE 59
 assign ( resid 58 and name c ) ( resid 59 and name n )
 ( resid 59 and name ca) ( resid 59 and name c )
 ( resid 60 and name n )    65.64 38.42
 
! ILE 259
 assign ( resid 258 and name c ) ( resid 259 and name n )
 ( resid 259 and name ca) ( resid 259 and name c )
 ( resid 260 and name n )   65.64 38.42
 
! HIS 60
 assign ( resid 59 and name c ) ( resid 60 and name n )
 ( resid 60 and name ca) ( resid 60 and name c )
 ( resid 61 and name n )    61.44 31.72
 
! HIS 260
 assign ( resid 259 and name c ) ( resid 260 and name n )
 ( resid 260 and name ca) ( resid 260 and name c )
 ( resid 261 and name n )   61.44 31.72
 
! VAL 61
 assign ( resid 60 and name c ) ( resid 61 and name n )
 ( resid 61 and name ca) ( resid 61 and name c )
 ( resid 62 and name n )    67.06 31.94
 
! VAL 261
 assign ( resid 260 and name c ) ( resid 261 and name n )
 ( resid 261 and name ca) ( resid 261 and name c )
 ( resid 262 and name n )   67.06 31.94
 
! GLU 62
 assign ( resid 61 and name c ) ( resid 62 and name n )
 ( resid 62 and name ca) ( resid 62 and name c )
 ( resid 63 and name n )    59.51 29.93
 
! GLU 262
 assign ( resid 261 and name c ) ( resid 262 and name n )
 ( resid 262 and name ca) ( resid 262 and name c )
 ( resid 263 and name n )   59.51 29.93
 
! LEU 63
 assign ( resid 62 and name c ) ( resid 63 and name n )
 ( resid 63 and name ca) ( resid 63 and name c )
 ( resid 64 and name n )    57.53 41.00
 
! LEU 263
 assign ( resid 262 and name c ) ( resid 263 and name n )
 ( resid 263 and name ca) ( resid 263 and name c )
 ( resid 264 and name n )   57.53 41.00
 
! MET 64
 assign ( resid 63 and name c ) ( resid 64 and name n )
 ( resid 64 and name ca) ( resid 64 and name c )
 ( resid 65 and name n )    57.25 32.72
 
! MET 264
 assign ( resid 263 and name c ) ( resid 264 and name n )
 ( resid 264 and name ca) ( resid 264 and name c )
 ( resid 265 and name n )   57.25 32.72
 
! ASP 65
 assign ( resid 64 and name c ) ( resid 65 and name n )
 ( resid 65 and name ca) ( resid 65 and name c )
 ( resid 66 and name n )    57.87 41.37
 
! ASP 265
 assign ( resid 264 and name c ) ( resid 265 and name n )
 ( resid 265 and name ca) ( resid 265 and name c )
 ( resid 266 and name n )   57.87 41.37
 
! THR 66
 assign ( resid 65 and name c ) ( resid 66 and name n )
 ( resid 66 and name ca) ( resid 66 and name c )
 ( resid 67 and name n )    66.52 69.03
 
! THR 266
 assign ( resid 265 and name c ) ( resid 266 and name n )
 ( resid 266 and name ca) ( resid 266 and name c )
 ( resid 267 and name n )   66.52 69.03
 
! PHE 67
 assign ( resid 66 and name c ) ( resid 67 and name n )
 ( resid 67 and name ca) ( resid 67 and name c )
 ( resid 68 and name n )    59.01 38.45
 
! PHE 267
 assign ( resid 266 and name c ) ( resid 267 and name n )
 ( resid 267 and name ca) ( resid 267 and name c )
 ( resid 268 and name n )   59.01 38.45
 
! SER 68
 assign ( resid 67 and name c ) ( resid 68 and name n )
 ( resid 68 and name ca) ( resid 68 and name c )
 ( resid 69 and name n )    62.34 63.09
 
! SER 268
 assign ( resid 267 and name c ) ( resid 268 and name n )
 ( resid 268 and name ca) ( resid 268 and name c )
 ( resid 269 and name n )   62.34 63.09
 
! LYS 69
 assign ( resid 68 and name c ) ( resid 69 and name n )
 ( resid 69 and name ca) ( resid 69 and name c )
 ( resid 70 and name n )    59.51 32.69
 
! LYS 269
 assign ( resid 268 and name c ) ( resid 269 and name n )
 ( resid 269 and name ca) ( resid 269 and name c )
 ( resid 270 and name n )   59.51 32.69
 
! GLN 70
 assign ( resid 69 and name c ) ( resid 70 and name n )
 ( resid 70 and name ca) ( resid 70 and name c )
 ( resid 71 and name n )    58.47 28.58
 
! GLN 270
 assign ( resid 269 and name c ) ( resid 270 and name n )
 ( resid 270 and name ca) ( resid 270 and name c )
 ( resid 271 and name n )   58.47 28.58
 
! LEU 71
 assign ( resid 70 and name c ) ( resid 71 and name n )
 ( resid 71 and name ca) ( resid 71 and name c )
 ( resid 72 and name n )    57.98 41.24
 
! LEU 271
 assign ( resid 270 and name c ) ( resid 271 and name n )
 ( resid 271 and name ca) ( resid 271 and name c )
 ( resid 272 and name n )   57.98 41.24
 
! LYS 72
 assign ( resid 71 and name c ) ( resid 72 and name n )
 ( resid 72 and name ca) ( resid 72 and name c )
 ( resid 73 and name n )    58.93 32.42
 
! LYS 272
 assign ( resid 271 and name c ) ( resid 272 and name n )
 ( resid 272 and name ca) ( resid 272 and name c )
 ( resid 273 and name n )   58.93 32.42
 
! LEU 73
 assign ( resid 72 and name c ) ( resid 73 and name n )
 ( resid 73 and name ca) ( resid 73 and name c )
 ( resid 74 and name n )    57.37 42.18
 
! LEU 273
 assign ( resid 272 and name c ) ( resid 273 and name n )
 ( resid 273 and name ca) ( resid 273 and name c )
 ( resid 274 and name n )   57.37 42.18
 
! GLU 74
 assign ( resid 73 and name c ) ( resid 74 and name n )
 ( resid 74 and name ca) ( resid 74 and name c )
 ( resid 75 and name n )    56.64 30.84
 
! GLU 274
 assign ( resid 273 and name c ) ( resid 274 and name n )
 ( resid 274 and name ca) ( resid 274 and name c )
 ( resid 275 and name n )   56.64 30.84
 
! GLY 75
! ARG 76
 assign ( resid 75 and name c ) ( resid 76 and name n )
 ( resid 76 and name ca) ( resid 76 and name c )
 ( resid 77 and name n )    55.23 32.70
 
! ARG 276
 assign ( resid 275 and name c ) ( resid 276 and name n )
 ( resid 276 and name ca) ( resid 276 and name c )
 ( resid 277 and name n )   55.23 32.70
 
! SER 77
 assign ( resid 76 and name c ) ( resid 77 and name n )
 ( resid 77 and name ca) ( resid 77 and name c )
 ( resid 78 and name n )    58.58 64.05
 
! SER 277
 assign ( resid 276 and name c ) ( resid 277 and name n )
 ( resid 277 and name ca) ( resid 277 and name c )
 ( resid 278 and name n )   58.58 64.05
 
! GLU 78
 assign ( resid 77 and name c ) ( resid 78 and name n )
 ( resid 78 and name ca) ( resid 78 and name c )
 ( resid 79 and name n )    57.39 30.00
 
! GLU 278
 assign ( resid 277 and name c ) ( resid 278 and name n )
 ( resid 278 and name ca) ( resid 278 and name c )
 ( resid 279 and name n )   57.39 30.00
 
! ASP 79
 assign ( resid 78 and name c ) ( resid 79 and name n )
 ( resid 79 and name ca) ( resid 79 and name c )
 ( resid 80 and name n )    56.44 40.22
 
! ASP 279
 assign ( resid 278 and name c ) ( resid 279 and name n )
 ( resid 279 and name ca) ( resid 279 and name c )
 ( resid 280 and name n )   56.44 40.22
 
! ILE 80
 assign ( resid 79 and name c ) ( resid 80 and name n )
 ( resid 80 and name ca) ( resid 80 and name c )
 ( resid 81 and name n )    62.39 38.53
 
! ILE 280
 assign ( resid 279 and name c ) ( resid 280 and name n )
 ( resid 280 and name ca) ( resid 280 and name c )
 ( resid 281 and name n )   62.39 38.53
 
! LEU 81
 assign ( resid 80 and name c ) ( resid 81 and name n )
 ( resid 81 and name ca) ( resid 81 and name c )
 ( resid 82 and name n )    56.27 41.03
 
! LEU 281
 assign ( resid 280 and name c ) ( resid 281 and name n )
 ( resid 281 and name ca) ( resid 281 and name c )
 ( resid 282 and name n )   56.27 41.03
 
! LEU 82
 assign ( resid 81 and name c ) ( resid 82 and name n )
 ( resid 82 and name ca) ( resid 82 and name c )
 ( resid 83 and name n )    56.01 41.07
 
! LEU 282
 assign ( resid 281 and name c ) ( resid 282 and name n )
 ( resid 282 and name ca) ( resid 282 and name c )
 ( resid 283 and name n )   56.01 41.07
 
! ASP 83
 assign ( resid 82 and name c ) ( resid 83 and name n )
 ( resid 83 and name ca) ( resid 83 and name c )
 ( resid 84 and name n )    55.57 40.01
 
! ASP 283
 assign ( resid 282 and name c ) ( resid 283 and name n )
 ( resid 283 and name ca) ( resid 283 and name c )
 ( resid 284 and name n )   55.57 40.01
 
! TYR 84
 assign ( resid 83 and name c ) ( resid 84 and name n )
 ( resid 84 and name ca) ( resid 84 and name c )
 ( resid 85 and name n )    60.23 36.90
 
! TYR 284
 assign ( resid 283 and name c ) ( resid 284 and name n )
 ( resid 284 and name ca) ( resid 284 and name c )
 ( resid 285 and name n )   60.23 36.90
 
! ARG 85
 assign ( resid 84 and name c ) ( resid 85 and name n )
 ( resid 85 and name ca) ( resid 85 and name c )
 ( resid 86 and name n )    60.53 30.36
 
! ARG 285
 assign ( resid 284 and name c ) ( resid 285 and name n )
 ( resid 285 and name ca) ( resid 285 and name c )
 ( resid 286 and name n )   60.53 30.36
 
! LEU 86
 assign ( resid 85 and name c ) ( resid 86 and name n )
 ( resid 86 and name ca) ( resid 86 and name c )
 ( resid 87 and name n )    58.14 41.44
 
! LEU 286
 assign ( resid 285 and name c ) ( resid 286 and name n )
 ( resid 286 and name ca) ( resid 286 and name c )
 ( resid 287 and name n )   58.14 41.44
 
! THR 87
 assign ( resid 86 and name c ) ( resid 87 and name n )
 ( resid 87 and name ca) ( resid 87 and name c )
 ( resid 88 and name n )    66.14 68.44
 
! THR 287
 assign ( resid 286 and name c ) ( resid 287 and name n )
 ( resid 287 and name ca) ( resid 287 and name c )
 ( resid 288 and name n )   66.14 68.44
 
! LEU 88
 assign ( resid 87 and name c ) ( resid 88 and name n )
 ( resid 88 and name ca) ( resid 88 and name c )
 ( resid 89 and name n )    57.81 41.28
 
! LEU 288
 assign ( resid 287 and name c ) ( resid 288 and name n )
 ( resid 288 and name ca) ( resid 288 and name c )
 ( resid 289 and name n )   57.81 41.28
 
! ILE 89
 assign ( resid 88 and name c ) ( resid 89 and name n )
 ( resid 89 and name ca) ( resid 89 and name c )
 ( resid 90 and name n )    66.29 38.11
 
! ILE 289
 assign ( resid 288 and name c ) ( resid 289 and name n )
 ( resid 289 and name ca) ( resid 289 and name c )
 ( resid 290 and name n )   66.29 38.11
 
! ASP 90
 assign ( resid 89 and name c ) ( resid 90 and name n )
 ( resid 90 and name ca) ( resid 90 and name c )
 ( resid 91 and name n )    57.00 41.20
 
! ASP 290
 assign ( resid 289 and name c ) ( resid 290 and name n )
 ( resid 290 and name ca) ( resid 290 and name c )
 ( resid 291 and name n )   57.00 41.20
 
! VAL 91
 assign ( resid 90 and name c ) ( resid 91 and name n )
 ( resid 91 and name ca) ( resid 91 and name c )
 ( resid 92 and name n )    68.21 31.64
 
! VAL 291
 assign ( resid 290 and name c ) ( resid 291 and name n )
 ( resid 291 and name ca) ( resid 291 and name c )
 ( resid 292 and name n )   68.21 31.64
 
! ILE 92
 assign ( resid 91 and name c ) ( resid 92 and name n )
 ( resid 92 and name ca) ( resid 92 and name c )
 ( resid 93 and name n )    66.19 37.53
 
! ILE 292
 assign ( resid 291 and name c ) ( resid 292 and name n )
 ( resid 292 and name ca) ( resid 292 and name c )
 ( resid 293 and name n )   66.19 37.53
 
! ALA 93
 assign ( resid 92 and name c ) ( resid 93 and name n )
 ( resid 93 and name ca) ( resid 93 and name c )
 ( resid 94 and name n )    56.36 18.07
 
! ALA 293
 assign ( resid 292 and name c ) ( resid 293 and name n )
 ( resid 293 and name ca) ( resid 293 and name c )
 ( resid 294 and name n )   56.36 18.07
 
! HIS 94
 assign ( resid 93 and name c ) ( resid 94 and name n )
 ( resid 94 and name ca) ( resid 94 and name c )
 ( resid 95 and name n )    60.80 30.09
 
! HIS 294
 assign ( resid 293 and name c ) ( resid 294 and name n )
 ( resid 294 and name ca) ( resid 294 and name c )
 ( resid 295 and name n )   60.80 30.09
 
! LEU 95
 assign ( resid 94 and name c ) ( resid 95 and name n )
 ( resid 95 and name ca) ( resid 95 and name c )
 ( resid 96 and name n )    58.28 43.08
 
! LEU 295
 assign ( resid 294 and name c ) ( resid 295 and name n )
 ( resid 295 and name ca) ( resid 295 and name c )
 ( resid 296 and name n )   58.28 43.08
 
! CYS 96
 assign ( resid 95 and name c ) ( resid 96 and name n )
 ( resid 96 and name ca) ( resid 96 and name c )
 ( resid 97 and name n )    61.11 45.59
 
! CYS 296
 assign ( resid 295 and name c ) ( resid 296 and name n )
 ( resid 296 and name ca) ( resid 296 and name c )
 ( resid 297 and name n )   61.11 45.59
 
! GLU 97
 assign ( resid 96 and name c ) ( resid 97 and name n )
 ( resid 97 and name ca) ( resid 97 and name c )
 ( resid 98 and name n )    58.19 29.69
 
! GLU 297
 assign ( resid 296 and name c ) ( resid 297 and name n )
 ( resid 297 and name ca) ( resid 297 and name c )
 ( resid 298 and name n )   58.19 29.69
 
! MET 98
 assign ( resid 97 and name c ) ( resid 98 and name n )
 ( resid 98 and name ca) ( resid 98 and name c )
 ( resid 99 and name n )    58.84 31.13
 
! MET 298
 assign ( resid 297 and name c ) ( resid 298 and name n )
 ( resid 298 and name ca) ( resid 298 and name c )
 ( resid 299 and name n )   58.84 31.13
 
! TYR 99
 assign ( resid 98 and name c ) ( resid 99 and name n )
 ( resid 99 and name ca) ( resid 99 and name c )
 ( resid 100 and name n )    60.31 37.93
 
! TYR 299
 assign ( resid 298 and name c ) ( resid 299 and name n )
 ( resid 299 and name ca) ( resid 299 and name c )
 ( resid 300 and name n )   60.31 37.93
 
! ARG 100
 assign ( resid 99 and name c ) ( resid 100 and name n )
 ( resid 100 and name ca) ( resid 100 and name c )
 ( resid 101 and name n )    60.27 30.49
 
! ARG 300
 assign ( resid 299 and name c ) ( resid 300 and name n )
 ( resid 300 and name ca) ( resid 300 and name c )
 ( resid 301 and name n )   60.27 30.49
 
! ARG 101
 assign ( resid 100 and name c ) ( resid 101 and name n )
 ( resid 101 and name ca) ( resid 101 and name c )
 ( resid 102 and name n )    58.12 30.34
 
! ARG 301
 assign ( resid 300 and name c ) ( resid 301 and name n )
 ( resid 301 and name ca) ( resid 301 and name c )
 ( resid 302 and name n )   58.12 30.34
 
! SER 102
 assign ( resid 101 and name c ) ( resid 102 and name n )
 ( resid 102 and name ca) ( resid 102 and name c )
 ( resid 103 and name n )    59.48 64.47
 
! SER 302
 assign ( resid 301 and name c ) ( resid 302 and name n )
 ( resid 302 and name ca) ( resid 302 and name c )
 ( resid 303 and name n )   59.48 64.47
 
! ILE 103
 assign ( resid 102 and name c ) ( resid 103 and name n )
 ( resid 103 and name ca) ( resid 103 and name c )
 ( resid 104 and name n )    59.82 39.37
 
! ILE 303
 assign ( resid 302 and name c ) ( resid 303 and name n )
 ( resid 303 and name ca) ( resid 303 and name c )
 ( resid 304 and name n )   59.82 39.37
 
! PRO 104
 assign ( resid 103 and name c ) ( resid 104 and name n )
 ( resid 104 and name ca) ( resid 104 and name c )
 ( resid 105 and name n )    63.30 31.46
 
! PRO 304
 assign ( resid 303 and name c ) ( resid 304 and name n )
 ( resid 304 and name ca) ( resid 304 and name c )
 ( resid 305 and name n )   63.30 31.46
 
! ARG 105
 assign ( resid 104 and name c ) ( resid 105 and name n )
 ( resid 105 and name ca) ( resid 105 and name c )
 ( resid 106 and name n )    55.16 32.20
 
! ARG 305
 assign ( resid 304 and name c ) ( resid 305 and name n )
 ( resid 305 and name ca) ( resid 305 and name c )
 ( resid 306 and name n )   55.16 32.20
 
! GLU 106
 assign ( resid 105 and name c ) ( resid 106 and name n )
 ( resid 106 and name ca) ( resid 106 and name c )
 ( resid 107 and name n )    56.76 30.51
 
! GLU 306
 assign ( resid 305 and name c ) ( resid 306 and name n )
 ( resid 306 and name ca) ( resid 306 and name c )
 ( resid 307 and name n )   56.76 30.51
 
restraints dihed reset
nassign=500
! SEGID a


!phi assignments by TALOS

assign (resid 7 and name c)  (resid 8 and name n)
       (resid 8 and name ca) (resid 8 and name c) 1.0 -68.000 26 2
assign (resid 8 and name c)  (resid 9 and name n)
       (resid 9 and name ca) (resid 9 and name c) 1.0 -66.000 14 2
assign (resid 9 and name c)  (resid 10 and name n)
       (resid 10 and name ca) (resid 10 and name c) 1.0 -67.000 18 2
assign (resid 10 and name c)  (resid 11 and name n)
       (resid 11 and name ca) (resid 11 and name c) 1.0 -67.000 18 2
assign (resid 11 and name c)  (resid 12 and name n)
       (resid 12 and name ca) (resid 12 and name c) 1.0 -68.000 12 2
assign (resid 12 and name c)  (resid 13 and name n)
       (resid 13 and name ca) (resid 13 and name c) 1.0 -67.000 16 2
assign (resid 13 and name c)  (resid 14 and name n)
       (resid 14 and name ca) (resid 14 and name c) 1.0 -66.000 12 2
assign (resid 14 and name c)  (resid 15 and name n)
       (resid 15 and name ca) (resid 15 and name c) 1.0 -67.000 18 2
assign (resid 15 and name c)  (resid 16 and name n)
       (resid 16 and name ca) (resid 16 and name c) 1.0 -68.000 6 2
assign (resid 16 and name c)  (resid 17 and name n)
       (resid 17 and name ca) (resid 17 and name c) 1.0 -65.000 10 2
assign (resid 17 and name c)  (resid 18 and name n)
       (resid 18 and name ca) (resid 18 and name c) 1.0 -69.000 8 2
assign (resid 18 and name c)  (resid 19 and name n)
       (resid 19 and name ca) (resid 19 and name c) 1.0 -68.000 10 2
assign (resid 19 and name c)  (resid 20 and name n)
       (resid 20 and name ca) (resid 20 and name c) 1.0 -65.000 14 2
assign (resid 20 and name c)  (resid 21 and name n)
       (resid 21 and name ca) (resid 21 and name c) 1.0 -63.000 10 2
assign (resid 21 and name c)  (resid 22 and name n)
       (resid 22 and name ca) (resid 22 and name c) 1.0 -63.000 14 2
assign (resid 22 and name c)  (resid 23 and name n)
       (resid 23 and name ca) (resid 23 and name c) 1.0 -66.000 10 2
assign (resid 23 and name c)  (resid 24 and name n)
       (resid 24 and name ca) (resid 24 and name c) 1.0 -68.000 12 2
assign (resid 24 and name c)  (resid 25 and name n)
       (resid 25 and name ca) (resid 25 and name c) 1.0 -66.000 14 2
assign (resid 25 and name c)  (resid 26 and name n)
       (resid 26 and name ca) (resid 26 and name c) 1.0 -69.000 24 2
assign (resid 27 and name c)  (resid 28 and name n)
       (resid 28 and name ca) (resid 28 and name c) 1.0 -64.000 18 2
assign (resid 35 and name c)  (resid 36 and name n)
       (resid 36 and name ca) (resid 36 and name c) 1.0 -65.000 12 2
assign (resid 36 and name c)  (resid 37 and name n)
       (resid 37 and name ca) (resid 37 and name c) 1.0 -63.000 14 2
assign (resid 37 and name c)  (resid 38 and name n)
       (resid 38 and name ca) (resid 38 and name c) 1.0 -66.000 10 2
assign (resid 38 and name c)  (resid 39 and name n)
       (resid 39 and name ca) (resid 39 and name c) 1.0 -66.000 12 2
assign (resid 39 and name c)  (resid 40 and name n)
       (resid 40 and name ca) (resid 40 and name c) 1.0 -64.000 14 2
assign (resid 40 and name c)  (resid 41 and name n)
       (resid 41 and name ca) (resid 41 and name c) 1.0 -65.000 14 2
assign (resid 41 and name c)  (resid 42 and name n)
       (resid 42 and name ca) (resid 42 and name c) 1.0 -65.000 16 2
assign (resid 42 and name c)  (resid 43 and name n)
       (resid 43 and name ca) (resid 43 and name c) 1.0 -67.000 14 2
assign (resid 43 and name c)  (resid 44 and name n)
       (resid 44 and name ca) (resid 44 and name c) 1.0 -64.000 14 2
assign (resid 44 and name c)  (resid 45 and name n)
       (resid 45 and name ca) (resid 45 and name c) 1.0 -68.000 6 2
assign (resid 45 and name c)  (resid 46 and name n)
       (resid 46 and name ca) (resid 46 and name c) 1.0 -65.000 10 2
assign (resid 46 and name c)  (resid 47 and name n)
       (resid 47 and name ca) (resid 47 and name c) 1.0 -65.000 10 2
assign (resid 47 and name c)  (resid 48 and name n)
       (resid 48 and name ca) (resid 48 and name c) 1.0 -63.000 10 2
assign (resid 52 and name c)  (resid 53 and name n)
       (resid 53 and name ca) (resid 53 and name c) 1.0 -59.000 14 2
assign (resid 53 and name c)  (resid 54 and name n)
       (resid 54 and name ca) (resid 54 and name c) 1.0 -64.000 15 2 !(widened to 3dev)
assign (resid 54 and name c)  (resid 55 and name n)
       (resid 55 and name ca) (resid 55 and name c) 1.0 -66.000 8 2
assign (resid 55 and name c)  (resid 56 and name n)
       (resid 56 and name ca) (resid 56 and name c) 1.0 -65.000 16 2
assign (resid 56 and name c)  (resid 57 and name n)
       (resid 57 and name ca) (resid 57 and name c) 1.0 -64.000 12 2
assign (resid 57 and name c)  (resid 58 and name n)
       (resid 58 and name ca) (resid 58 and name c) 1.0 -66.000 8 2
assign (resid 58 and name c)  (resid 59 and name n)
       (resid 59 and name ca) (resid 59 and name c) 1.0 -70.000 12 2
assign (resid 59 and name c)  (resid 60 and name n)
       (resid 60 and name ca) (resid 60 and name c) 1.0 -64.000 8 2
assign (resid 60 and name c)  (resid 61 and name n)
       (resid 61 and name ca) (resid 61 and name c) 1.0 -64.000 14 2
assign (resid 61 and name c)  (resid 62 and name n)
       (resid 62 and name ca) (resid 62 and name c) 1.0 -65.000 10 2
assign (resid 62 and name c)  (resid 63 and name n)
       (resid 63 and name ca) (resid 63 and name c) 1.0 -66.000 18 2
assign (resid 63 and name c)  (resid 64 and name n)
       (resid 64 and name ca) (resid 64 and name c) 1.0 -64.000 14 2
assign (resid 67 and name c)  (resid 68 and name n)
       (resid 68 and name ca) (resid 68 and name c) 1.0 -66.000 8 2
assign (resid 68 and name c)  (resid 69 and name n)
       (resid 69 and name ca) (resid 69 and name c) 1.0 -65.000 14 2
assign (resid 69 and name c)  (resid 70 and name n)
       (resid 70 and name ca) (resid 70 and name c) 1.0 -68.000 10 2
assign (resid 71 and name c)  (resid 72 and name n)
       (resid 72 and name ca) (resid 72 and name c) 1.0 -67.000 14 2
assign (resid 72 and name c)  (resid 73 and name n)
       (resid 73 and name ca) (resid 73 and name c) 1.0 -71.000 33 2 !(widened to 3 dev)
assign (resid 73 and name c)  (resid 74 and name n)
       (resid 74 and name ca) (resid 74 and name c) 1.0 -97.000 34 2
assign (resid 79 and name c)  (resid 80 and name n)
       (resid 80 and name ca) (resid 80 and name c) 1.0 -71.000 36 2
assign (resid 82 and name c)  (resid 83 and name n)
       (resid 83 and name ca) (resid 83 and name c) 1.0 -73.000 34 2
assign (resid 83 and name c)  (resid 84 and name n)
       (resid 84 and name ca) (resid 84 and name c) 1.0 -67.000 10 2
assign (resid 84 and name c)  (resid 85 and name n)
       (resid 85 and name ca) (resid 85 and name c) 1.0 -65.000 12 2 !(widened to 3 dev)
assign (resid 85 and name c)  (resid 86 and name n)
       (resid 86 and name ca) (resid 86 and name c) 1.0 -66.000 8 2
assign (resid 86 and name c)  (resid 87 and name n)
       (resid 87 and name ca) (resid 87 and name c) 1.0 -63.000 14 2
assign (resid 87 and name c)  (resid 88 and name n)
       (resid 88 and name ca) (resid 88 and name c) 1.0 -67.000 12 2 
assign (resid 88 and name c)  (resid 89 and name n)
       (resid 89 and name ca) (resid 89 and name c) 1.0 -69.000 12 2
assign (resid 89 and name c)  (resid 90 and name n)
       (resid 90 and name ca) (resid 90 and name c) 1.0 -65.000 12 2
assign (resid 90 and name c)  (resid 91 and name n)
       (resid 91 and name ca) (resid 91 and name c) 1.0 -67.000 16 2
assign (resid 91 and name c)  (resid 92 and name n)
       (resid 92 and name ca) (resid 92 and name c) 1.0 -64.000 14 2
assign (resid 92 and name c)  (resid 93 and name n)
       (resid 93 and name ca) (resid 93 and name c) 1.0 -66.000 10 2
assign (resid 93 and name c)  (resid 94 and name n)
       (resid 94 and name ca) (resid 94 and name c) 1.0 -66.000 8 2
assign (resid 94 and name c)  (resid 95 and name n)
       (resid 95 and name ca) (resid 95 and name c) 1.0 -63.000 6 2
assign (resid 96 and name c)  (resid 97 and name n)
       (resid 97 and name ca) (resid 97 and name c) 1.0 -73.000 30 2
assign (resid 97 and name c)  (resid 98 and name n)
       (resid 98 and name ca) (resid 98 and name c) 1.0 -65.000 16 2
assign (resid 98 and name c)  (resid 99 and name n)
       (resid 99 and name ca) (resid 99 and name c) 1.0 -63.000 14 2
assign (resid 99 and name c)  (resid 100 and name n)
       (resid 100 and name ca) (resid 100 and name c) 1.0 -62.000 18 2
assign (resid 100 and name c)  (resid 101 and name n)
       (resid 101 and name ca) (resid 101 and name c) 1.0 -70.000 32 2
assign (resid 102 and name c)  (resid 103 and name n)
       (resid 103 and name ca) (resid 103 and name c) 1.0 -96.000 40 2

! psi assignments by TALOS

assign (resid 8 and name n)  (resid 8 and name ca)
       (resid 8 and name c) (resid 9 and name n) 1.0 -41.000 32 2
assign (resid 9 and name n)  (resid 9 and name ca)
       (resid 9 and name c) (resid 10 and name n) 1.0 -38.000 16 2
assign (resid 10 and name n)  (resid 10 and name ca)
       (resid 10 and name c) (resid 11 and name n) 1.0 -38.000 20 2
assign (resid 11 and name n)  (resid 11 and name ca)
       (resid 11 and name c) (resid 12 and name n) 1.0 -38.000 16 2
assign (resid 12 and name n)  (resid 12 and name ca)
       (resid 12 and name c) (resid 13 and name n) 1.0 -34.000 30 2
assign (resid 13 and name n)  (resid 13 and name ca)
       (resid 13 and name c) (resid 14 and name n) 1.0 -38.000 22 2
assign (resid 14 and name n)  (resid 14 and name ca)
       (resid 14 and name c) (resid 15 and name n) 1.0 -37.000 22 2
assign (resid 15 and name n)  (resid 15 and name ca)
       (resid 15 and name c) (resid 16 and name n) 1.0 -36.000 14 2
assign (resid 16 and name n)  (resid 16 and name ca)
       (resid 16 and name c) (resid 17 and name n) 1.0 -42.000 12 2
assign (resid 17 and name n)  (resid 17 and name ca)
       (resid 17 and name c) (resid 18 and name n) 1.0 -37.000 8 2
assign (resid 18 and name n)  (resid 18 and name ca)
       (resid 18 and name c) (resid 19 and name n) 1.0 -40.000 14 2
assign (resid 19 and name n)  (resid 19 and name ca)
       (resid 19 and name c) (resid 20 and name n) 1.0 -40.000 12 2
assign (resid 20 and name n)  (resid 20 and name ca)
       (resid 20 and name c) (resid 21 and name n) 1.0 -44.000 8 2
assign (resid 21 and name n)  (resid 21 and name ca)
       (resid 21 and name c) (resid 22 and name n) 1.0 -43.000 14 2
assign (resid 22 and name n)  (resid 22 and name ca)
       (resid 22 and name c) (resid 23 and name n) 1.0 -40.000 14 2
assign (resid 23 and name n)  (resid 23 and name ca)
       (resid 23 and name c) (resid 24 and name n) 1.0 -44.000 12 2
assign (resid 24 and name n)  (resid 24 and name ca)
       (resid 24 and name c) (resid 25 and name n) 1.0 -40.000 18 2
assign (resid 25 and name n)  (resid 25 and name ca)
       (resid 25 and name c) (resid 26 and name n) 1.0 -43.000 14 2
assign (resid 26 and name n)  (resid 26 and name ca)
       (resid 26 and name c) (resid 27 and name n) 1.0 -27.000 36 2
assign (resid 28 and name n)  (resid 28 and name ca)
       (resid 28 and name c) (resid 29 and name n) 1.0 -37.000 12 2
assign (resid 36 and name n)  (resid 36 and name ca)
       (resid 36 and name c) (resid 37 and name n) 1.0 -35.000 12 2
assign (resid 37 and name n)  (resid 37 and name ca)
       (resid 37 and name c) (resid 38 and name n) 1.0 -39.000 14 2
assign (resid 38 and name n)  (resid 38 and name ca)
       (resid 38 and name c) (resid 39 and name n) 1.0 -40.000 10 2
assign (resid 39 and name n)  (resid 39 and name ca)
       (resid 39 and name c) (resid 40 and name n) 1.0 -42.000 12 2
assign (resid 40 and name n)  (resid 40 and name ca)
       (resid 40 and name c) (resid 41 and name n) 1.0 -40.000 10 2
assign (resid 41 and name n)  (resid 41 and name ca)
       (resid 41 and name c) (resid 42 and name n) 1.0 -43.000 10 2
assign (resid 42 and name n)  (resid 42 and name ca)
       (resid 42 and name c) (resid 43 and name n) 1.0 -40.000 10 2
assign (resid 43 and name n)  (resid 43 and name ca)
       (resid 43 and name c) (resid 44 and name n) 1.0 -43.000 12 2
assign (resid 44 and name n)  (resid 44 and name ca)
       (resid 44 and name c) (resid 45 and name n) 1.0 -41.000 12 2
assign (resid 45 and name n)  (resid 45 and name ca)
       (resid 45 and name c) (resid 46 and name n) 1.0 -38.000 14 2
assign (resid 46 and name n)  (resid 46 and name ca)
       (resid 46 and name c) (resid 47 and name n) 1.0 -44.000 14 2
assign (resid 47 and name n)  (resid 47 and name ca)
       (resid 47 and name c) (resid 48 and name n) 1.0 -43.000 16 2
assign (resid 48 and name n)  (resid 48 and name ca)
       (resid 48 and name c) (resid 49 and name n) 1.0 -34.000 20 2
assign (resid 53 and name n)  (resid 53 and name ca)
       (resid 53 and name c) (resid 54 and name n) 1.0 -39.000 24 2
assign (resid 54 and name n)  (resid 54 and name ca)
       (resid 54 and name c) (resid 55 and name n) 1.0 -40.000 18 2
assign (resid 55 and name n)  (resid 55 and name ca)
       (resid 55 and name c) (resid 56 and name n) 1.0 -42.000 10 2
assign (resid 56 and name n)  (resid 56 and name ca)
       (resid 56 and name c) (resid 57 and name n) 1.0 -42.000 14 2
assign (resid 57 and name n)  (resid 57 and name ca)
       (resid 57 and name c) (resid 58 and name n) 1.0 -36.000 24 2
assign (resid 58 and name n)  (resid 58 and name ca)
       (resid 58 and name c) (resid 59 and name n) 1.0 -42.000 16 2
assign (resid 59 and name n)  (resid 59 and name ca)
       (resid 59 and name c) (resid 60 and name n) 1.0 -40.000 6 2
assign (resid 60 and name n)  (resid 60 and name ca)
       (resid 60 and name c) (resid 61 and name n) 1.0 -43.000 14 2
assign (resid 61 and name n)  (resid 61 and name ca)
       (resid 61 and name c) (resid 62 and name n) 1.0 -43.000 20 2
assign (resid 62 and name n)  (resid 62 and name ca)
       (resid 62 and name c) (resid 63 and name n) 1.0 -33.000 18 2
assign (resid 63 and name n)  (resid 63 and name ca)
       (resid 63 and name c) (resid 64 and name n) 1.0 -36.000 30 2
assign (resid 64 and name n)  (resid 64 and name ca)
       (resid 64 and name c) (resid 65 and name n) 1.0 -42.000 8 2
assign (resid 68 and name n)  (resid 68 and name ca)
       (resid 68 and name c) (resid 69 and name n) 1.0 -38.000 22 2
assign (resid 69 and name n)  (resid 69 and name ca)
       (resid 69 and name c) (resid 70 and name n) 1.0 -40.000 22 2
assign (resid 70 and name n)  (resid 70 and name ca)
       (resid 70 and name c) (resid 71 and name n) 1.0 -40.000 36 2 !(widened to 3 dev)
assign (resid 72 and name n)  (resid 72 and name ca)
       (resid 72 and name c) (resid 73 and name n) 1.0 -36.000 32 2
assign (resid 73 and name n)  (resid 73 and name ca)
       (resid 73 and name c) (resid 74 and name n) 1.0 -28.000 26 2
assign (resid 74 and name n)  (resid 74 and name ca)
       (resid 74 and name c) (resid 75 and name n) 1.0 2.000 40 2
assign (resid 80 and name n)  (resid 80 and name ca)
       (resid 80 and name c) (resid 81 and name n) 1.0 -29.000 40 2
assign (resid 83 and name n)  (resid 83 and name ca)
       (resid 83 and name c) (resid 84 and name n) 1.0 -35.000 28 2
assign (resid 84 and name n)  (resid 84 and name ca)
       (resid 84 and name c) (resid 85 and name n) 1.0 -35.000 21 2 !(widened to 3dev)
assign (resid 85 and name n)  (resid 85 and name ca)
       (resid 85 and name c) (resid 86 and name n) 1.0 -44.000 10 2
assign (resid 86 and name n)  (resid 86 and name ca)
       (resid 86 and name c) (resid 87 and name n) 1.0 -40.000 18 2
assign (resid 87 and name n)  (resid 87 and name ca)
       (resid 87 and name c) (resid 88 and name n) 1.0 -38.000 14 2
assign (resid 88 and name n)  (resid 88 and name ca)
       (resid 88 and name c) (resid 89 and name n) 1.0 -36.000 24 2 !(widened to 3dev)
assign (resid 89 and name n)  (resid 89 and name ca)
       (resid 89 and name c) (resid 90 and name n) 1.0 -40.000 8 2
assign (resid 90 and name n)  (resid 90 and name ca)
       (resid 90 and name c) (resid 91 and name n) 1.0 -41.000 14 2
assign (resid 91 and name n)  (resid 91 and name ca)
       (resid 91 and name c) (resid 92 and name n) 1.0 -44.000 14 2
assign (resid 92 and name n)  (resid 92 and name ca)
       (resid 92 and name c) (resid 93 and name n) 1.0 -39.000 12 2
assign (resid 93 and name n)  (resid 93 and name ca)
       (resid 93 and name c) (resid 94 and name n) 1.0 -39.000 8 2
assign (resid 94 and name n)  (resid 94 and name ca)
       (resid 94 and name c) (resid 95 and name n) 1.0 -43.000 12 2
assign (resid 95 and name n)  (resid 95 and name ca)
       (resid 95 and name c) (resid 96 and name n) 1.0 -40.000 6 2
assign (resid 97 and name n)  (resid 97 and name ca)
       (resid 97 and name c) (resid 98 and name n) 1.0 -29.000 40 2
assign (resid 98 and name n)  (resid 98 and name ca)
       (resid 98 and name c) (resid 99 and name n) 1.0 -43.000 18 2
assign (resid 99 and name n)  (resid 99 and name ca)
       (resid 99 and name c) (resid 100 and name n) 1.0 -41.000 12 2
assign (resid 100 and name n)  (resid 100 and name ca)
       (resid 100 and name c) (resid 101 and name n) 1.0 -41.000 14 2
assign (resid 101 and name n)  (resid 101 and name ca)
       (resid 101 and name c) (resid 102 and name n) 1.0 -34.000 30 2
assign (resid 103 and name n)  (resid 103 and name ca)
       (resid 103 and name c) (resid 104 and name n) 1.0 136.000 36 2

!chi1
! Val / Ile
assign (resid 20 and name n) (resid 20 and name ca)
       (resid 20 and name cb) (resid 20 and name cg1) 1.0 -60 20 2
assign (resid 24 and name n) (resid 24 and name ca)
       (resid 24 and name cb) (resid 24 and name cg1) 1.0 -60 20 2
assign (resid 25 and name n) (resid 25 and name ca)
       (resid 25 and name cb) (resid 25 and name cg1) 1.0 180 20 2
assign (resid 35 and name n) (resid 35 and name ca)
       (resid 35 and name cb) (resid 35 and name cg1) 1.0 180 20 2
assign (resid 39 and name n) (resid 39 and name ca)
       (resid 39 and name cb) (resid 39 and name cg1) 1.0 -60 20 2
assign (resid 43 and name n) (resid 43 and name ca)
       (resid 43 and name cb) (resid 43 and name cg1) 1.0 180 20 2
assign (resid 53 and name n) (resid 53 and name ca)
       (resid 53 and name cb) (resid 53 and name cg1) 1.0 180 20 2
assign (resid 56 and name n) (resid 56 and name ca)
       (resid 56 and name cb) (resid 56 and name cg1) 1.0 180 20 2
assign (resid 59 and name n) (resid 59 and name ca)
       (resid 59 and name cb) (resid 59 and name cg1) 1.0 -60 20 2
assign (resid 61 and name n) (resid 61 and name ca)
       (resid 61 and name cb) (resid 61 and name cg1) 1.0 180 20 2
assign (resid 89 and name n) (resid 89 and name ca)
       (resid 89 and name cb) (resid 89 and name cg1) 1.0 -60 20 2
assign (resid 91 and name n) (resid 91 and name ca)
       (resid 91 and name cb) (resid 91 and name cg1) 1.0 180 20 2
assign (resid 103 and name n) (resid 103 and name ca)
       (resid 103 and name cb) (resid 103 and name cg1) 1.0 -60 20 2
! Thr
assign (resid 31 and name n) (resid 31 and name ca)
       (resid 31 and name cb) (resid 31 and name og1) 1.0  60 20 2
assign (resid 66 and name n) (resid 66 and name ca)
       (resid 66 and name cb) (resid 66 and name og1) 1.0 -60 20 2
assign (resid 87 and name n) (resid 87 and name ca)
       (resid 87 and name cb) (resid 87 and name og1) 1.0 -60 20 2

! Other
assign (resid 9 and name n) (resid 9 and name ca)
       (resid 9 and name cb) (resid 9 and name cg) 1.0 -60 20 2
assign (resid 10 and name n) (resid 10 and name ca)
       (resid 10 and name cb) (resid 10 and name cg) 1.0 180 20 2
assign (resid 13 and name n) (resid 13 and name ca)
       (resid 13 and name cb) (resid 13 and name cg) 1.0 -60 30 2 !(widened+10, possible averaging)
assign (resid 14 and name n) (resid 14 and name ca)
       (resid 14 and name cb) (resid 14 and name cg) 1.0 -60 20 2
assign (resid 15 and name n) (resid 15 and name ca)
       (resid 15 and name cb) (resid 15 and name cg) 1.0 -60 20 2
assign (resid 17 and name n) (resid 17 and name ca)
       (resid 17 and name cb) (resid 17 and name cg) 1.0 -60 20 2
assign (resid 21 and name n) (resid 21 and name ca)
       (resid 21 and name cb) (resid 21 and name cg) 1.0 180 20 2
assign (resid 22 and name n) (resid 22 and name ca)
       (resid 22 and name cb) (resid 22 and name cg) 1.0 180 20 2
assign (resid 26 and name n) (resid 26 and name ca)
       (resid 26 and name cb) (resid 26 and name cg) 1.0 -60 20 2
assign (resid 27 and name n) (resid 27 and name ca)
       (resid 27 and name cb) (resid 27 and name cg) 1.0 -60 20 2
assign (resid 28 and name n) (resid 28 and name ca)
       (resid 28 and name cb) (resid 28 and name cg) 1.0 180 20 2
assign (resid 29 and name n) (resid 29 and name ca)
       (resid 29 and name cb) (resid 29 and name cg) 1.0 -60 20 2
assign (resid 30 and name n) (resid 30 and name ca)
       (resid 30 and name cb) (resid 30 and name cg) 1.0 60 20 2
assign (resid 32 and name n) (resid 32 and name ca)
       (resid 32 and name cb) (resid 32 and name cg) 1.0 -60 20 2
assign (resid 36 and name n) (resid 36 and name ca)
       (resid 36 and name cb) (resid 36 and name cg) 1.0 180 20 2
assign (resid 38 and name n) (resid 38 and name ca)
       (resid 38 and name cb) (resid 38 and name cg) 1.0 -60 30 2 !(widened+10, possible averaging
assign (resid 40 and name n) (resid 40 and name ca)
       (resid 40 and name cb) (resid 40 and name cg) 1.0 180 20 2
assign (resid 42 and name n) (resid 42 and name ca)
       (resid 42 and name cb) (resid 42 and name cg) 1.0 180 20 2
assign (resid 45 and name n) (resid 45 and name ca)
       (resid 45 and name cb) (resid 45 and name cg) 1.0 -60 20 2
assign (resid 47 and name n) (resid 47 and name ca)
       (resid 47 and name cb) (resid 47 and name cg) 1.0 180 20 2
assign (resid 50 and name n) (resid 50 and name ca)
       (resid 50 and name cb) (resid 50 and name cg) 1.0 180 20 2
assign (resid 55 and name n) (resid 55 and name ca)
       (resid 55 and name cb) (resid 55 and name cg) 1.0 -60 20 2
assign (resid 57 and name n) (resid 57 and name ca)
       (resid 57 and name cb) (resid 57 and name cg) 1.0 -60 20 2
assign (resid 58 and name n) (resid 58 and name ca)
       (resid 58 and name cb) (resid 58 and name cg) 1.0 -60 20 2
assign (resid 60 and name n) (resid 60 and name ca)
       (resid 60 and name cb) (resid 60 and name cg) 1.0 180 20 2
assign (resid 64 and name n) (resid 64 and name ca)
       (resid 64 and name cb) (resid 64 and name cg) 1.0 -60 20 2
assign (resid 67 and name n) (resid 67 and name ca)
       (resid 67 and name cb) (resid 67 and name cg) 1.0 -60 20 2
assign (resid 71 and name n) (resid 71 and name ca)
       (resid 71 and name cb) (resid 71 and name cg) 1.0 -60 20 2
assign (resid 73 and name n) (resid 73 and name ca)
       (resid 73 and name cb) (resid 73 and name cg) 1.0 -60 20 2
assign (resid 74 and name n) (resid 74 and name ca)
       (resid 74 and name cb) (resid 74 and name cg) 1.0 -60 20 2
assign (resid 76 and name n) (resid 76 and name ca)
       (resid 76 and name cb) (resid 76 and name cg) 1.0 -60 20 2
assign (resid 77 and name n) (resid 77 and name ca)
       (resid 77 and name cb) (resid 77 and name og) 1.0 180 20 2
assign (resid 78 and name n) (resid 78 and name ca)
       (resid 78 and name cb) (resid 78 and name cg) 1.0 -60 20 2
assign (resid 79 and name n) (resid 79 and name ca)
       (resid 79 and name cb) (resid 79 and name cg) 1.0 -60 20 2
assign (resid 81 and name n) (resid 81 and name ca)
       (resid 81 and name cb) (resid 81 and name cg) 1.0 180 30 2 !(widened+10, possible averaging)
assign (resid 82 and name n) (resid 82 and name ca)
       (resid 82 and name cb) (resid 82 and name cg) 1.0 180 30 2 !(widened+10, possible averaging)
assign (resid 83 and name n) (resid 83 and name ca)
       (resid 83 and name cb) (resid 83 and name cg) 1.0 60 20 2
assign (resid 85 and name n) (resid 85 and name ca)
       (resid 85 and name cb) (resid 85 and name cg) 1.0 60 20 2
assign (resid 86 and name n) (resid 86 and name ca)
       (resid 86 and name cb) (resid 86 and name cg) 1.0 -60 20 2
assign (resid 88 and name n) (resid 88 and name ca)
       (resid 88 and name cb) (resid 88 and name cg) 1.0 180 20 2
assign (resid 95 and name n) (resid 95 and name ca)
       (resid 95 and name cb) (resid 95 and name cg) 1.0 60 35 2 !(widened+15, averaging)
assign (resid 97 and name n) (resid 97 and name ca)
       (resid 97 and name cb) (resid 97 and name cg) 1.0 -60 20 2
assign (resid 98 and name n) (resid 98 and name ca)
       (resid 98 and name cb) (resid 98 and name cg) 1.0 60 30 2 !(widened+10, possible averaging)
assign (resid 99 and name n) (resid 99 and name ca)
       (resid 99 and name cb) (resid 99 and name cg) 1.0 -60 20 2
assign (resid 100 and name n) (resid 100 and name ca)
       (resid 100 and name cb) (resid 100 and name cg) 1.0 180 20 2
assign (resid 101 and name n) (resid 101 and name ca)
       (resid 101 and name cb) (resid 101 and name cg) 1.0 -60 20 2
assign (resid 105 and name n) (resid 105 and name ca)
       (resid 105 and name cb) (resid 105 and name cg) 1.0 -60 20 2

! chi2
assign (resid 17 and name ca) (resid 17 and name cb)
       (resid 17 and name cg) (resid 17 and name cd1)  1.0 180 25 2
assign (resid 86 and name ca) (resid 86 and name cb)
       (resid 86 and name cg) (resid 86 and name cd1)  1.0 180 25 2

! SEGID b 


!phi assignments by TALOS

assign (resid 207 and name c) (resid 208 and name n)         
       (resid 208 and name ca) (resid 208 and name c) 1.0 -68.000 26 2
assign (resid 208 and name c) (resid 209 and name n)         
       (resid 209 and name ca) (resid 209 and name c) 1.0 -66.000 14 2
assign (resid 209 and name c) (resid 210 and name n)         
       (resid 210 and name ca) (resid 210 and name c) 1.0 -67.000 18 2
assign (resid 210 and name c) (resid 211 and name n)         
       (resid 211 and name ca) (resid 211 and name c) 1.0 -67.000 18 2
assign (resid 211 and name c) (resid 212 and name n)         
       (resid 212 and name ca) (resid 212 and name c) 1.0 -68.000 12 2
assign (resid 212 and name c) (resid 213 and name n)         
       (resid 213 and name ca) (resid 213 and name c) 1.0 -67.000 16 2
assign (resid 213 and name c) (resid 214 and name n)         
       (resid 214 and name ca) (resid 214 and name c) 1.0 -66.000 12 2
assign (resid 214 and name c) (resid 215 and name n)         
       (resid 215 and name ca) (resid 215 and name c) 1.0 -67.000 18 2
assign (resid 215 and name c) (resid 216 and name n)         
       (resid 216 and name ca) (resid 216 and name c) 1.0 -68.000 6 2
assign (resid 216 and name c) (resid 217 and name n)         
       (resid 217 and name ca) (resid 217 and name c) 1.0 -65.000 10 2
assign (resid 217 and name c) (resid 218 and name n)         
       (resid 218 and name ca) (resid 218 and name c) 1.0 -69.000 8 2
assign (resid 218 and name c) (resid 219 and name n)         
       (resid 219 and name ca) (resid 219 and name c) 1.0 -68.000 10 2
assign (resid 219 and name c) (resid 220 and name n)         
       (resid 220 and name ca) (resid 220 and name c) 1.0 -65.000 14 2
assign (resid 220 and name c) (resid 221 and name n)         
       (resid 221 and name ca) (resid 221 and name c) 1.0 -63.000 10 2
assign (resid 221 and name c) (resid 222 and name n)         
       (resid 222 and name ca) (resid 222 and name c) 1.0 -63.000 14 2
assign (resid 222 and name c) (resid 223 and name n)         
       (resid 223 and name ca) (resid 223 and name c) 1.0 -66.000 10 2
assign (resid 223 and name c) (resid 224 and name n)         
       (resid 224 and name ca) (resid 224 and name c) 1.0 -68.000 12 2
assign (resid 224 and name c) (resid 225 and name n)         
       (resid 225 and name ca) (resid 225 and name c) 1.0 -66.000 14 2
assign (resid 225 and name c) (resid 226 and name n)         
       (resid 226 and name ca) (resid 226 and name c) 1.0 -69.000 24 2
assign (resid 227 and name c) (resid 228 and name n)         
       (resid 228 and name ca) (resid 228 and name c) 1.0 -64.000 18 2
assign (resid 235 and name c) (resid 236 and name n)         
       (resid 236 and name ca) (resid 236 and name c) 1.0 -65.000 12 2
assign (resid 236 and name c) (resid 237 and name n)         
       (resid 237 and name ca) (resid 237 and name c) 1.0 -63.000 14 2
assign (resid 237 and name c) (resid 238 and name n)         
       (resid 238 and name ca) (resid 238 and name c) 1.0 -66.000 10 2
assign (resid 238 and name c) (resid 239 and name n)         
       (resid 239 and name ca) (resid 239 and name c) 1.0 -66.000 12 2
assign (resid 239 and name c) (resid 240 and name n)         
       (resid 240 and name ca) (resid 240 and name c) 1.0 -64.000 14 2
assign (resid 240 and name c) (resid 241 and name n)         
       (resid 241 and name ca) (resid 241 and name c) 1.0 -65.000 14 2
assign (resid 241 and name c) (resid 242 and name n)         
       (resid 242 and name ca) (resid 242 and name c) 1.0 -65.000 16 2
assign (resid 242 and name c) (resid 243 and name n)         
       (resid 243 and name ca) (resid 243 and name c) 1.0 -67.000 14 2
assign (resid 243 and name c) (resid 244 and name n)         
       (resid 244 and name ca) (resid 244 and name c) 1.0 -64.000 14 2
assign (resid 244 and name c) (resid 245 and name n)         
       (resid 245 and name ca) (resid 245 and name c) 1.0 -68.000 6 2
assign (resid 245 and name c) (resid 246 and name n)         
       (resid 246 and name ca) (resid 246 and name c) 1.0 -65.000 10 2
assign (resid 246 and name c) (resid 247 and name n)         
       (resid 247 and name ca) (resid 247 and name c) 1.0 -65.000 10 2
assign (resid 247 and name c) (resid 248 and name n)         
       (resid 248 and name ca) (resid 248 and name c) 1.0 -63.000 10 2
assign (resid 252 and name c) (resid 253 and name n)         
       (resid 253 and name ca) (resid 253 and name c) 1.0 -59.000 14 2
assign (resid 253 and name c) (resid 254 and name n)         
       (resid 254 and name ca) (resid 254 and name c) 1.0 -64.000 15 2 !(widened to 3dev)
assign (resid 254 and name c) (resid 255 and name n)         
       (resid 255 and name ca) (resid 255 and name c) 1.0 -66.000 8 2
assign (resid 255 and name c) (resid 256 and name n)         
       (resid 256 and name ca) (resid 256 and name c) 1.0 -65.000 16 2
assign (resid 256 and name c) (resid 257 and name n)         
       (resid 257 and name ca) (resid 257 and name c) 1.0 -64.000 12 2
assign (resid 257 and name c) (resid 258 and name n)         
       (resid 258 and name ca) (resid 258 and name c) 1.0 -66.000 8 2
assign (resid 258 and name c) (resid 259 and name n)         
       (resid 259 and name ca) (resid 259 and name c) 1.0 -70.000 12 2
assign (resid 259 and name c) (resid 260 and name n)         
       (resid 260 and name ca) (resid 260 and name c) 1.0 -64.000 8 2
assign (resid 260 and name c) (resid 261 and name n)         
       (resid 261 and name ca) (resid 261 and name c) 1.0 -64.000 14 2
assign (resid 261 and name c) (resid 262 and name n)         
       (resid 262 and name ca) (resid 262 and name c) 1.0 -65.000 10 2
assign (resid 262 and name c) (resid 263 and name n)         
       (resid 263 and name ca) (resid 263 and name c) 1.0 -66.000 18 2
assign (resid 263 and name c) (resid 264 and name n)         
       (resid 264 and name ca) (resid 264 and name c) 1.0 -64.000 14 2
assign (resid 267 and name c) (resid 268 and name n)         
       (resid 268 and name ca) (resid 268 and name c) 1.0 -66.000 8 2
assign (resid 268 and name c) (resid 269 and name n)         
       (resid 269 and name ca) (resid 269 and name c) 1.0 -65.000 14 2
assign (resid 269 and name c) (resid 270 and name n)         
       (resid 270 and name ca) (resid 270 and name c) 1.0 -68.000 10 2
assign (resid 271 and name c) (resid 272 and name n)         
       (resid 272 and name ca) (resid 272 and name c) 1.0 -67.000 14 2
assign (resid 272 and name c) (resid 273 and name n)         
       (resid 273 and name ca) (resid 273 and name c) 1.0 -71.000 33 2 !(widened to 3dev)
assign (resid 273 and name c) (resid 274 and name n)         
       (resid 274 and name ca) (resid 274 and name c) 1.0 -97.000 34 2
assign (resid 279 and name c) (resid 280 and name n)         
       (resid 280 and name ca) (resid 280 and name c) 1.0 -71.000 36 2
assign (resid 282 and name c) (resid 283 and name n)         
       (resid 283 and name ca) (resid 283 and name c) 1.0 -73.000 34 2
assign (resid 283 and name c) (resid 284 and name n)         
       (resid 284 and name ca) (resid 284 and name c) 1.0 -67.000 10 2
assign (resid 284 and name c) (resid 285 and name n)         
       (resid 285 and name ca) (resid 285 and name c) 1.0 -65.000 12 2 !(widened to 3 dev)
assign (resid 285 and name c) (resid 286 and name n)         
       (resid 286 and name ca) (resid 286 and name c) 1.0 -66.000 8 2
assign (resid 286 and name c) (resid 287 and name n)         
       (resid 287 and name ca) (resid 287 and name c) 1.0 -63.000 14 2
assign (resid 287 and name c) (resid 288 and name n)         
       (resid 288 and name ca) (resid 288 and name c) 1.0 -67.000 12 2
assign (resid 288 and name c) (resid 289 and name n)         
       (resid 289 and name ca) (resid 289 and name c) 1.0 -69.000 12 2
assign (resid 289 and name c) (resid 290 and name n)         
       (resid 290 and name ca) (resid 290 and name c) 1.0 -65.000 12 2
assign (resid 290 and name c) (resid 291 and name n)         
       (resid 291 and name ca) (resid 291 and name c) 1.0 -67.000 16 2
assign (resid 291 and name c) (resid 292 and name n)         
       (resid 292 and name ca) (resid 292 and name c) 1.0 -64.000 14 2
assign (resid 292 and name c) (resid 293 and name n)         
       (resid 293 and name ca) (resid 293 and name c) 1.0 -66.000 10 2
assign (resid 293 and name c) (resid 294 and name n)         
       (resid 294 and name ca) (resid 294 and name c) 1.0 -66.000 8 2
assign (resid 294 and name c) (resid 295 and name n)         
       (resid 295 and name ca) (resid 295 and name c) 1.0 -63.000 6 2
assign (resid 296 and name c) (resid 297 and name n)         
       (resid 297 and name ca) (resid 297 and name c) 1.0 -73.000 30 2
assign (resid 297 and name c) (resid 298 and name n)         
       (resid 298 and name ca) (resid 298 and name c) 1.0 -65.000 16 2
assign (resid 298 and name c) (resid 299 and name n)         
       (resid 299 and name ca) (resid 299 and name c) 1.0 -63.000 14 2
assign (resid 299 and name c) (resid 300 and name n)         
       (resid 300 and name ca) (resid 300 and name c) 1.0 -62.000 18 2
assign (resid 300 and name c) (resid 301 and name n)         
       (resid 301 and name ca) (resid 301 and name c) 1.0 -70.000 32 2
assign (resid 302 and name c) (resid 303 and name n)         
       (resid 303 and name ca) (resid 303 and name c) 1.0 -96.000 40 2

! psi assignments by TALOS

assign (resid 208 and name n) (resid 208 and name ca)         
       (resid 208 and name c) (resid 209 and name n) 1.0 -41.000 32 2
assign (resid 209 and name n) (resid 209 and name ca)         
       (resid 209 and name c) (resid 210 and name n) 1.0 -38.000 16 2
assign (resid 210 and name n) (resid 210 and name ca)         
       (resid 210 and name c) (resid 211 and name n) 1.0 -38.000 20 2
assign (resid 211 and name n) (resid 211 and name ca)         
       (resid 211 and name c) (resid 212 and name n) 1.0 -38.000 16 2
assign (resid 212 and name n) (resid 212 and name ca)         
       (resid 212 and name c) (resid 213 and name n) 1.0 -34.000 30 2
assign (resid 213 and name n) (resid 213 and name ca)         
       (resid 213 and name c) (resid 214 and name n) 1.0 -38.000 22 2
assign (resid 214 and name n) (resid 214 and name ca)         
       (resid 214 and name c) (resid 215 and name n) 1.0 -37.000 22 2
assign (resid 215 and name n) (resid 215 and name ca)         
       (resid 215 and name c) (resid 216 and name n) 1.0 -36.000 14 2
assign (resid 216 and name n) (resid 216 and name ca)         
       (resid 216 and name c) (resid 217 and name n) 1.0 -42.000 12 2
assign (resid 217 and name n) (resid 217 and name ca)         
       (resid 217 and name c) (resid 218 and name n) 1.0 -37.000 8 2
assign (resid 218 and name n) (resid 218 and name ca)         
       (resid 218 and name c) (resid 219 and name n) 1.0 -40.000 14 2
assign (resid 219 and name n) (resid 219 and name ca)         
       (resid 219 and name c) (resid 220 and name n) 1.0 -40.000 12 2
assign (resid 220 and name n) (resid 220 and name ca)         
       (resid 220 and name c) (resid 221 and name n) 1.0 -44.000 8 2
assign (resid 221 and name n) (resid 221 and name ca)         
       (resid 221 and name c) (resid 222 and name n) 1.0 -43.000 14 2
assign (resid 222 and name n) (resid 222 and name ca)         
       (resid 222 and name c) (resid 223 and name n) 1.0 -40.000 14 2
assign (resid 223 and name n) (resid 223 and name ca)         
       (resid 223 and name c) (resid 224 and name n) 1.0 -44.000 12 2
assign (resid 224 and name n) (resid 224 and name ca)         
       (resid 224 and name c) (resid 225 and name n) 1.0 -40.000 18 2
assign (resid 225 and name n) (resid 225 and name ca)         
       (resid 225 and name c) (resid 226 and name n) 1.0 -43.000 14 2
assign (resid 226 and name n) (resid 226 and name ca)         
       (resid 226 and name c) (resid 227 and name n) 1.0 -27.000 36 2
assign (resid 228 and name n) (resid 228 and name ca)         
       (resid 228 and name c) (resid 229 and name n) 1.0 -37.000 12 2
assign (resid 236 and name n) (resid 236 and name ca)         
       (resid 236 and name c) (resid 237 and name n) 1.0 -35.000 12 2
assign (resid 237 and name n) (resid 237 and name ca)         
       (resid 237 and name c) (resid 238 and name n) 1.0 -39.000 14 2
assign (resid 238 and name n) (resid 238 and name ca)         
       (resid 238 and name c) (resid 239 and name n) 1.0 -40.000 10 2
assign (resid 239 and name n) (resid 239 and name ca)         
       (resid 239 and name c) (resid 240 and name n) 1.0 -42.000 12 2
assign (resid 240 and name n) (resid 240 and name ca)         
       (resid 240 and name c) (resid 241 and name n) 1.0 -40.000 10 2
assign (resid 241 and name n) (resid 241 and name ca)         
       (resid 241 and name c) (resid 242 and name n) 1.0 -43.000 10 2
assign (resid 242 and name n) (resid 242 and name ca)         
       (resid 242 and name c) (resid 243 and name n) 1.0 -40.000 10 2
assign (resid 243 and name n) (resid 243 and name ca)         
       (resid 243 and name c) (resid 244 and name n) 1.0 -43.000 12 2
assign (resid 244 and name n) (resid 244 and name ca)         
       (resid 244 and name c) (resid 245 and name n) 1.0 -41.000 12 2
assign (resid 245 and name n) (resid 245 and name ca)         
       (resid 245 and name c) (resid 246 and name n) 1.0 -38.000 14 2
assign (resid 246 and name n) (resid 246 and name ca)         
       (resid 246 and name c) (resid 247 and name n) 1.0 -44.000 14 2
assign (resid 247 and name n) (resid 247 and name ca)         
       (resid 247 and name c) (resid 248 and name n) 1.0 -43.000 16 2
assign (resid 248 and name n) (resid 248 and name ca)         
       (resid 248 and name c) (resid 249 and name n) 1.0 -34.000 20 2
assign (resid 253 and name n) (resid 253 and name ca)         
       (resid 253 and name c) (resid 254 and name n) 1.0 -39.000 24 2
assign (resid 254 and name n) (resid 254 and name ca)         
       (resid 254 and name c) (resid 255 and name n) 1.0 -40.000 18 2
assign (resid 255 and name n) (resid 255 and name ca)         
       (resid 255 and name c) (resid 256 and name n) 1.0 -42.000 10 2
assign (resid 256 and name n) (resid 256 and name ca)         
       (resid 256 and name c) (resid 257 and name n) 1.0 -42.000 14 2
assign (resid 257 and name n) (resid 257 and name ca)         
       (resid 257 and name c) (resid 258 and name n) 1.0 -36.000 24 2
assign (resid 258 and name n) (resid 258 and name ca)         
       (resid 258 and name c) (resid 259 and name n) 1.0 -42.000 16 2
assign (resid 259 and name n) (resid 259 and name ca)         
       (resid 259 and name c) (resid 260 and name n) 1.0 -40.000 6 2
assign (resid 260 and name n) (resid 260 and name ca)         
       (resid 260 and name c) (resid 261 and name n) 1.0 -43.000 14 2
assign (resid 261 and name n) (resid 261 and name ca)         
       (resid 261 and name c) (resid 262 and name n) 1.0 -43.000 20 2
assign (resid 262 and name n) (resid 262 and name ca)         
       (resid 262 and name c) (resid 263 and name n) 1.0 -33.000 18 2
assign (resid 263 and name n) (resid 263 and name ca)         
       (resid 263 and name c) (resid 264 and name n) 1.0 -36.000 30 2
assign (resid 264 and name n) (resid 264 and name ca)         
       (resid 264 and name c) (resid 265 and name n) 1.0 -42.000 8 2
assign (resid 268 and name n) (resid 268 and name ca)         
       (resid 268 and name c) (resid 269 and name n) 1.0 -38.000 22 2
assign (resid 269 and name n) (resid 269 and name ca)         
       (resid 269 and name c) (resid 270 and name n) 1.0 -40.000 22 2
assign (resid 270 and name n) (resid 270 and name ca)         
       (resid 270 and name c) (resid 271 and name n) 1.0 -40.000 36 2 !(widened to 3 dev)
assign (resid 272 and name n) (resid 272 and name ca)         
       (resid 272 and name c) (resid 273 and name n) 1.0 -36.000 32 2
assign (resid 273 and name n) (resid 273 and name ca)         
       (resid 273 and name c) (resid 274 and name n) 1.0 -28.000 26 2
assign (resid 274 and name n) (resid 274 and name ca)         
       (resid 274 and name c) (resid 275 and name n) 1.0 2.000 40 2
assign (resid 280 and name n) (resid 280 and name ca)         
       (resid 280 and name c) (resid 281 and name n) 1.0 -29.000 40 2
assign (resid 283 and name n) (resid 283 and name ca)         
       (resid 283 and name c) (resid 284 and name n) 1.0 -35.000 28 2
assign (resid 284 and name n) (resid 284 and name ca)         
       (resid 284 and name c) (resid 285 and name n) 1.0 -35.000 21 2 !(widened to 3dev)
assign (resid 285 and name n) (resid 285 and name ca)         
       (resid 285 and name c) (resid 286 and name n) 1.0 -44.000 10 2
assign (resid 286 and name n) (resid 286 and name ca)         
       (resid 286 and name c) (resid 287 and name n) 1.0 -40.000 18 2
assign (resid 287 and name n) (resid 287 and name ca)         
       (resid 287 and name c) (resid 288 and name n) 1.0 -38.000 14 2
assign (resid 288 and name n) (resid 288 and name ca)         
       (resid 288 and name c) (resid 289 and name n) 1.0 -36.000 24 2 !(widened to 3dev)
assign (resid 289 and name n) (resid 289 and name ca)         
       (resid 289 and name c) (resid 290 and name n) 1.0 -40.000 8 2
assign (resid 290 and name n) (resid 290 and name ca)         
       (resid 290 and name c) (resid 291 and name n) 1.0 -41.000 14 2
assign (resid 291 and name n) (resid 291 and name ca)         
       (resid 291 and name c) (resid 292 and name n) 1.0 -44.000 14 2
assign (resid 292 and name n) (resid 292 and name ca)         
       (resid 292 and name c) (resid 293 and name n) 1.0 -39.000 12 2
assign (resid 293 and name n) (resid 293 and name ca)         
       (resid 293 and name c) (resid 294 and name n) 1.0 -39.000 8 2
assign (resid 294 and name n) (resid 294 and name ca)         
       (resid 294 and name c) (resid 295 and name n) 1.0 -43.000 12 2
assign (resid 295 and name n) (resid 295 and name ca)         
       (resid 295 and name c) (resid 296 and name n) 1.0 -40.000 6 2
assign (resid 297 and name n) (resid 297 and name ca)         
       (resid 297 and name c) (resid 298 and name n) 1.0 -29.000 40 2
assign (resid 298 and name n) (resid 298 and name ca)         
       (resid 298 and name c) (resid 299 and name n) 1.0 -43.000 18 2
assign (resid 299 and name n) (resid 299 and name ca)         
       (resid 299 and name c) (resid 300 and name n) 1.0 -41.000 12 2
assign (resid 300 and name n) (resid 300 and name ca)         
       (resid 300 and name c) (resid 301 and name n) 1.0 -41.000 14 2
assign (resid 301 and name n) (resid 301 and name ca)         
       (resid 301 and name c) (resid 302 and name n) 1.0 -34.000 30 2
assign (resid 303 and name n) (resid 303 and name ca)         
       (resid 303 and name c) (resid 304 and name n) 1.0 136.000 36 2

!chi1
! Val / Ile
assign (resid 220 and name n) (resid 220 and name ca)         
       (resid 220 and name cb) (resid 220 and name cg1) 1.0 -60 20 2
assign (resid 224 and name n) (resid 224 and name ca)         
       (resid 224 and name cb) (resid 224 and name cg1) 1.0 -60 20 2
assign (resid 225 and name n) (resid 225 and name ca)         
       (resid 225 and name cb) (resid 225 and name cg1) 1.0 180 20 2
assign (resid 235 and name n) (resid 235 and name ca)         
       (resid 235 and name cb) (resid 235 and name cg1) 1.0 180 20 2
assign (resid 239 and name n) (resid 239 and name ca)         
       (resid 239 and name cb) (resid 239 and name cg1) 1.0 -60 20 2
assign (resid 243 and name n) (resid 243 and name ca)         
       (resid 243 and name cb) (resid 243 and name cg1) 1.0 180 20 2
assign (resid 253 and name n) (resid 253 and name ca)         
       (resid 253 and name cb) (resid 253 and name cg1) 1.0 180 20 2
assign (resid 256 and name n) (resid 256 and name ca)         
       (resid 256 and name cb) (resid 256 and name cg1) 1.0 180 20 2
assign (resid 259 and name n) (resid 259 and name ca)         
       (resid 259 and name cb) (resid 259 and name cg1) 1.0 -60 20 2
assign (resid 261 and name n) (resid 261 and name ca)         
       (resid 261 and name cb) (resid 261 and name cg1) 1.0 180 20 2
assign (resid 289 and name n) (resid 289 and name ca)         
       (resid 289 and name cb) (resid 289 and name cg1) 1.0 -60 20 2
assign (resid 291 and name n) (resid 291 and name ca)         
       (resid 291 and name cb) (resid 291 and name cg1) 1.0 180 20 2
assign (resid 303 and name n) (resid 303 and name ca)         
       (resid 303 and name cb) (resid 303 and name cg1) 1.0 -60 20 2
! Thr
assign (resid 231 and name n) (resid 231 and name ca)         
       (resid 231 and name cb) (resid 231 and name og1) 1.0 60 20 2
assign (resid 266 and name n) (resid 266 and name ca)         
       (resid 266 and name cb) (resid 266 and name og1) 1.0 -60 20 2
assign (resid 287 and name n) (resid 287 and name ca)         
       (resid 287 and name cb) (resid 287 and name og1) 1.0 -60 20 2

! Other
assign (resid 209 and name n) (resid 209 and name ca)         
       (resid 209 and name cb) (resid 209 and name cg) 1.0 -60 20 2
assign (resid 210 and name n) (resid 210 and name ca)         
       (resid 210 and name cb) (resid 210 and name cg) 1.0 180 20 2
assign (resid 213 and name n) (resid 213 and name ca)         
       (resid 213 and name cb) (resid 213 and name cg) 1.0 -60 30 2 !(widened+10, possible averaging)
assign (resid 214 and name n) (resid 214 and name ca)         
       (resid 214 and name cb) (resid 214 and name cg) 1.0 -60 20 2
assign (resid 215 and name n) (resid 215 and name ca)         
       (resid 215 and name cb) (resid 215 and name cg) 1.0 -60 20 2
assign (resid 217 and name n) (resid 217 and name ca)         
       (resid 217 and name cb) (resid 217 and name cg) 1.0 -60 20 2
assign (resid 221 and name n) (resid 221 and name ca)         
       (resid 221 and name cb) (resid 221 and name cg) 1.0 180 20 2
assign (resid 222 and name n) (resid 222 and name ca)         
       (resid 222 and name cb) (resid 222 and name cg) 1.0 180 20 2
assign (resid 226 and name n) (resid 226 and name ca)         
       (resid 226 and name cb) (resid 226 and name cg) 1.0 -60 20 2
assign (resid 227 and name n) (resid 227 and name ca)         
       (resid 227 and name cb) (resid 227 and name cg) 1.0 -60 20 2
assign (resid 228 and name n) (resid 228 and name ca)         
       (resid 228 and name cb) (resid 228 and name cg) 1.0 180 20 2
assign (resid 229 and name n) (resid 229 and name ca)         
       (resid 229 and name cb) (resid 229 and name cg) 1.0 -60 20 2
assign (resid 230 and name n) (resid 230 and name ca)         
       (resid 230 and name cb) (resid 230 and name cg) 1.0 60 20 2
assign (resid 232 and name n) (resid 232 and name ca)         
       (resid 232 and name cb) (resid 232 and name cg) 1.0 -60 20 2
assign (resid 236 and name n) (resid 236 and name ca)         
       (resid 236 and name cb) (resid 236 and name cg) 1.0 180 20 2
assign (resid 238 and name n) (resid 238 and name ca)         
       (resid 238 and name cb) (resid 238 and name cg) 1.0 -60 30 2 !(widened+10, possible averaging)
assign (resid 240 and name n) (resid 240 and name ca)         
       (resid 240 and name cb) (resid 240 and name cg) 1.0 180 20 2
assign (resid 242 and name n) (resid 242 and name ca)         
       (resid 242 and name cb) (resid 242 and name cg) 1.0 180 20 2
assign (resid 245 and name n) (resid 245 and name ca)         
       (resid 245 and name cb) (resid 245 and name cg) 1.0 -60 20 2
assign (resid 247 and name n) (resid 247 and name ca)         
       (resid 247 and name cb) (resid 247 and name cg) 1.0 180 20 2
assign (resid 250 and name n) (resid 250 and name ca)         
       (resid 250 and name cb) (resid 250 and name cg) 1.0 180 20 2
assign (resid 255 and name n) (resid 255 and name ca)         
       (resid 255 and name cb) (resid 255 and name cg) 1.0 -60 20 2
assign (resid 257 and name n) (resid 257 and name ca)         
       (resid 257 and name cb) (resid 257 and name cg) 1.0 -60 20 2
assign (resid 258 and name n) (resid 258 and name ca)         
       (resid 258 and name cb) (resid 258 and name cg) 1.0 -60 20 2
assign (resid 260 and name n) (resid 260 and name ca)         
       (resid 260 and name cb) (resid 260 and name cg) 1.0 180 20 2
assign (resid 264 and name n) (resid 264 and name ca)         
       (resid 264 and name cb) (resid 264 and name cg) 1.0 -60 20 2
assign (resid 267 and name n) (resid 267 and name ca)         
       (resid 267 and name cb) (resid 267 and name cg) 1.0 -60 20 2
assign (resid 271 and name n) (resid 271 and name ca)         
       (resid 271 and name cb) (resid 271 and name cg) 1.0 -60 20 2
assign (resid 273 and name n) (resid 273 and name ca)         
       (resid 273 and name cb) (resid 273 and name cg) 1.0 -60 20 2
assign (resid 274 and name n) (resid 274 and name ca)         
       (resid 274 and name cb) (resid 274 and name cg) 1.0 -60 20 2
assign (resid 276 and name n) (resid 276 and name ca)         
       (resid 276 and name cb) (resid 276 and name cg) 1.0 -60 20 2
assign (resid 277 and name n) (resid 277 and name ca)         
       (resid 277 and name cb) (resid 277 and name og) 1.0 180 20 2
assign (resid 278 and name n) (resid 278 and name ca)         
       (resid 278 and name cb) (resid 278 and name cg) 1.0 -60 20 2
assign (resid 279 and name n) (resid 279 and name ca)         
       (resid 279 and name cb) (resid 279 and name cg) 1.0 -60 20 2
assign (resid 281 and name n) (resid 281 and name ca)         
       (resid 281 and name cb) (resid 281 and name cg) 1.0 180 30 2 !(widened+10, possible averaging)
assign (resid 282 and name n) (resid 282 and name ca)         
       (resid 282 and name cb) (resid 282 and name cg) 1.0 180 30 2 !(widened+10, possible averaging)
assign (resid 283 and name n) (resid 283 and name ca)         
       (resid 283 and name cb) (resid 283 and name cg) 1.0 60 20 2
assign (resid 285 and name n) (resid 285 and name ca)         
       (resid 285 and name cb) (resid 285 and name cg) 1.0 60 20 2
assign (resid 286 and name n) (resid 286 and name ca)         
       (resid 286 and name cb) (resid 286 and name cg) 1.0 -60 20 2
assign (resid 288 and name n) (resid 288 and name ca)         
       (resid 288 and name cb) (resid 288 and name cg) 1.0 180 20 2
assign (resid 295 and name n) (resid 295 and name ca)         
       (resid 295 and name cb) (resid 295 and name cg) 1.0 60 35 2 !(widened+15, averaging)
assign (resid 297 and name n) (resid 297 and name ca)         
       (resid 297 and name cb) (resid 297 and name cg) 1.0 -60 20 2
assign (resid 298 and name n) (resid 298 and name ca)         
       (resid 298 and name cb) (resid 298 and name cg) 1.0 60 30 2 !(widened+10, possible averaging)
assign (resid 299 and name n) (resid 299 and name ca)         
       (resid 299 and name cb) (resid 299 and name cg) 1.0 -60 20 2
assign (resid 300 and name n) (resid 300 and name ca)         
       (resid 300 and name cb) (resid 300 and name cg) 1.0 180 20 2
assign (resid 301 and name n) (resid 301 and name ca)         
       (resid 301 and name cb) (resid 301 and name cg) 1.0 -60 20 2
assign (resid 305 and name n) (resid 305 and name ca)         
       (resid 305 and name cb) (resid 305 and name cg) 1.0 -60 20 2

! chi2
assign (resid 217 and name ca) (resid 217 and name cb)
       (resid 217 and name cg) (resid 217 and name cd1)  1.0 180 25 2
assign (resid 286 and name ca) (resid 286 and name cb)
       (resid 286 and name cg) (resid 286 and name cd1)  1.0 180 25 2

end


  Entry H atom name         Submitted Coord H atom name
    1   1H    ALA   1          HT1       ALA   1 -35.193  14.182  14.760
    2   2H    ALA   1          HT2       ALA   1 -34.432  15.522  15.473
    3   3H    ALA   1          HT3       ALA   1 -36.070  15.608  15.038
    4    HA   ALA   1           HA       ALA   1 -35.759  15.323  17.439
    5   1HB   ALA   1          HB1       ALA   1 -37.460  13.902  15.667
    6   2HB   ALA   1          HB2       ALA   1 -37.750  14.295  17.360
    7   3HB   ALA   1          HB3       ALA   1 -36.974  12.773  16.932
    8    H    MET   2           HN       MET   2 -34.984  12.302  15.674
    9    HA   MET   2           HA       MET   2 -33.352  11.461  17.958
   10   1HB   MET   2          HB2       MET   2 -35.206  10.059  16.744
   11   2HB   MET   2          HB1       MET   2 -33.899   9.689  15.620
   12   1HG   MET   2          HG2       MET   2 -32.801   8.405  17.142
   13   2HG   MET   2          HG1       MET   2 -33.140   9.531  18.456
   14   1HE   MET   2          HE1       MET   2 -33.686   6.234  17.026
   15   2HE   MET   2          HE2       MET   2 -34.700   5.544  18.289
   16   3HE   MET   2          HE3       MET   2 -33.189   6.336  18.722
   17    H    ALA   3           HN       ALA   3 -32.566  13.478  15.911
   18    HA   ALA   3           HA       ALA   3 -30.842  13.037  13.986
   19   1HB   ALA   3          HB1       ALA   3 -30.929  14.903  16.145
   20   2HB   ALA   3          HB2       ALA   3 -30.208  15.113  14.549
   21   3HB   ALA   3          HB3       ALA   3 -29.247  14.450  15.872
   22    H    ARG   4           HN       ARG   4 -29.878  11.042  13.741
   23    HA   ARG   4           HA       ARG   4 -27.889  10.277  15.790
   24   1HB   ARG   4          HB2       ARG   4 -29.734   8.616  15.337
   25   2HB   ARG   4          HB1       ARG   4 -29.083   8.455  13.707
   26   1HG   ARG   4          HG2       ARG   4 -27.177   7.366  14.415
   27   2HG   ARG   4          HG1       ARG   4 -27.152   8.202  15.971
   28   1HD   ARG   4          HD2       ARG   4 -27.853   5.656  15.845
   29   2HD   ARG   4          HD1       ARG   4 -28.699   6.766  16.928
   30    HE   ARG   4           HE       ARG   4 -30.533   6.784  15.422
   31   1HH1  ARG   4          HH21      ARG   4 -27.877   4.809  14.384
   32   2HH1  ARG   4          HH22      ARG   4 -28.803   3.949  13.200
   33   1HH2  ARG   4          HH11      ARG   4 -31.725   5.700  13.800
   34   2HH2  ARG   4          HH12      ARG   4 -30.961   4.455  12.871
   35    H    MET   5           HN       MET   5 -26.470  11.856  14.742
   36    HA   MET   5           HA       MET   5 -25.548  11.314  12.061
   37   1HB   MET   5          HB2       MET   5 -25.559  13.596  13.139
   38   2HB   MET   5          HB1       MET   5 -24.236  13.041  14.168
   39   1HG   MET   5          HG2       MET   5 -22.825  12.634  12.264
   40   2HG   MET   5          HG1       MET   5 -24.161  12.907  11.148
   41   1HE   MET   5          HE1       MET   5 -21.461  15.556  10.707
   42   2HE   MET   5          HE2       MET   5 -22.903  15.281   9.731
   43   3HE   MET   5          HE3       MET   5 -22.011  13.905  10.379
   44    H    SER   6           HN       SER   6 -23.575  11.590  15.004
   45    HA   SER   6           HA       SER   6 -21.693  10.410  15.647
   46   1HB   SER   6          HB2       SER   6 -22.760   7.807  14.883
   47   2HB   SER   6          HB1       SER   6 -22.394   8.443  16.484
   48    HG   SER   6           HG       SER   6 -24.570   8.233  16.443
   49    HA   PRO   7           HA       PRO   7 -18.968   9.242  12.437
   50   1HB   PRO   7          HB2       PRO   7 -17.861   6.878  13.383
   51   2HB   PRO   7          HB1       PRO   7 -17.377   8.503  13.903
   52   1HG   PRO   7          HG2       PRO   7 -19.157   6.541  15.243
   53   2HG   PRO   7          HG1       PRO   7 -17.997   7.683  15.943
   54   1HD   PRO   7          HD2       PRO   7 -20.681   8.134  15.973
   55   2HD   PRO   7          HD1       PRO   7 -19.491   9.453  15.884
   56    H    ALA   8           HN       ALA   8 -21.605   7.294  13.236
   57    HA   ALA   8           HA       ALA   8 -21.378   5.008  11.696
   58   1HB   ALA   8          HB1       ALA   8 -23.674   4.808  11.880
   59   2HB   ALA   8          HB2       ALA   8 -23.951   6.529  11.610
   60   3HB   ALA   8          HB3       ALA   8 -23.358   5.966  13.173
   61    H    ASP   9           HN       ASP   9 -22.208   8.302  10.702
   62    HA   ASP   9           HA       ASP   9 -22.928   7.857   8.051
   63   1HB   ASP   9          HB2       ASP   9 -21.417  10.155   9.311
   64   2HB   ASP   9          HB1       ASP   9 -22.003  10.173   7.648
   65    H    LYS  10           HN       LYS  10 -19.712   8.317   9.479
   66    HA   LYS  10           HA       LYS  10 -18.214   8.126   7.081
   67   1HB   LYS  10          HB2       LYS  10 -17.479   8.855   9.478
   68   2HB   LYS  10          HB1       LYS  10 -17.208   7.132   9.739
   69   1HG   LYS  10          HG2       LYS  10 -16.116   8.249   7.214
   70   2HG   LYS  10          HG1       LYS  10 -15.320   8.768   8.701
   71   1HD   LYS  10          HD2       LYS  10 -15.221   6.309   9.358
   72   2HD   LYS  10          HD1       LYS  10 -15.713   5.941   7.704
   73   1HE   LYS  10          HE2       LYS  10 -13.605   6.227   6.984
   74   2HE   LYS  10          HE1       LYS  10 -13.579   7.864   7.638
   75   1HZ   LYS  10          HZ1       LYS  10 -12.691   7.153   9.621
   76   2HZ   LYS  10          HZ2       LYS  10 -11.924   6.108   8.525
   77   3HZ   LYS  10          HZ3       LYS  10 -13.247   5.562   9.440
   78    H    ARG  11           HN       ARG  11 -19.557   5.766   9.301
   79    HA   ARG  11           HA       ARG  11 -18.216   3.472   8.314
   80   1HB   ARG  11          HB2       ARG  11 -20.824   3.904   9.768
   81   2HB   ARG  11          HB1       ARG  11 -20.315   2.297   9.244
   82   1HG   ARG  11          HG2       ARG  11 -18.808   4.167  11.091
   83   2HG   ARG  11          HG1       ARG  11 -19.547   2.622  11.518
   84   1HD   ARG  11          HD2       ARG  11 -17.960   1.862   9.440
   85   2HD   ARG  11          HD1       ARG  11 -16.996   3.172  10.116
   86    HE   ARG  11           HE       ARG  11 -17.949   1.349  12.132
   87   1HH1  ARG  11          HH21      ARG  11 -15.558   1.933   9.695
   88   2HH1  ARG  11          HH22      ARG  11 -14.358   0.927  10.436
   89   1HH2  ARG  11          HH11      ARG  11 -16.366   0.024  13.108
   90   2HH2  ARG  11          HH12      ARG  11 -14.813  -0.150  12.360
   91    H    LYS  12           HN       LYS  12 -21.380   4.920   7.592
   92    HA   LYS  12           HA       LYS  12 -22.187   3.172   5.554
   93   1HB   LYS  12          HB2       LYS  12 -22.706   6.111   6.017
   94   2HB   LYS  12          HB1       LYS  12 -23.452   5.209   4.697
   95   1HG   LYS  12          HG2       LYS  12 -24.440   3.637   6.298
   96   2HG   LYS  12          HG1       LYS  12 -23.656   4.488   7.633
   97   1HD   LYS  12          HD2       LYS  12 -24.952   6.447   7.281
   98   2HD   LYS  12          HD1       LYS  12 -25.503   5.886   5.703
   99   1HE   LYS  12          HE2       LYS  12 -26.126   4.300   8.185
  100   2HE   LYS  12          HE1       LYS  12 -27.130   5.677   7.726
  101   1HZ   LYS  12          HZ1       LYS  12 -27.800   3.407   6.842
  102   2HZ   LYS  12          HZ2       LYS  12 -26.463   3.530   5.803
  103   3HZ   LYS  12          HZ3       LYS  12 -27.714   4.673   5.716
  104    H    LEU  13           HN       LEU  13 -20.113   5.988   5.627
  105    HA   LEU  13           HA       LEU  13 -19.648   6.306   2.868
  106   1HB   LEU  13          HB2       LEU  13 -18.319   7.138   5.400
  107   2HB   LEU  13          HB1       LEU  13 -17.355   7.220   3.929
  108    HG   LEU  13           HG       LEU  13 -20.138   8.387   4.106
  109   1HD1  LEU  13          HD11      LEU  13 -18.946  10.591   4.374
  110   2HD1  LEU  13          HD12      LEU  13 -17.461   9.690   4.676
  111   3HD1  LEU  13          HD13      LEU  13 -18.825   9.538   5.784
  112   1HD2  LEU  13          HD21      LEU  13 -17.930   8.282   2.122
  113   2HD2  LEU  13          HD22      LEU  13 -18.746   9.838   2.280
  114   3HD2  LEU  13          HD23      LEU  13 -19.671   8.396   1.863
  115    H    LEU  14           HN       LEU  14 -18.227   4.231   5.323
  116    HA   LEU  14           HA       LEU  14 -16.116   3.231   3.654
  117   1HB   LEU  14          HB2       LEU  14 -17.308   2.205   6.230
  118   2HB   LEU  14          HB1       LEU  14 -15.866   1.553   5.455
  119    HG   LEU  14           HG       LEU  14 -16.215   4.059   6.955
  120   1HD1  LEU  14          HD11      LEU  14 -14.001   2.130   6.296
  121   2HD1  LEU  14          HD12      LEU  14 -14.733   2.454   7.869
  122   3HD1  LEU  14          HD13      LEU  14 -13.672   3.651   7.124
  123   1HD2  LEU  14          HD21      LEU  14 -14.417   4.003   4.533
  124   2HD2  LEU  14          HD22      LEU  14 -14.644   5.340   5.658
  125   3HD2  LEU  14          HD23      LEU  14 -15.962   4.855   4.594
  126    H    ASP  15           HN       ASP  15 -19.352   2.183   4.620
  127    HA   ASP  15           HA       ASP  15 -19.402  -0.381   3.543
  128   1HB   ASP  15          HB2       ASP  15 -21.575   1.714   3.732
  129   2HB   ASP  15          HB1       ASP  15 -21.875   0.055   3.218
  130    H    GLU  16           HN       GLU  16 -20.008   2.750   1.989
  131    HA   GLU  16           HA       GLU  16 -20.659   1.736  -0.575
  132   1HB   GLU  16          HB2       GLU  16 -19.467   4.391   0.263
  133   2HB   GLU  16          HB1       GLU  16 -20.056   4.030  -1.361
  134   1HG   GLU  16          HG2       GLU  16 -21.588   4.446   1.161
  135   2HG   GLU  16          HG1       GLU  16 -21.991   4.919  -0.489
  136    H    LEU  17           HN       LEU  17 -17.616   2.865   0.870
  137    HA   LEU  17           HA       LEU  17 -15.928   2.500  -1.331
  138   1HB   LEU  17          HB2       LEU  17 -15.377   2.053   1.617
  139   2HB   LEU  17          HB1       LEU  17 -14.135   2.139   0.369
  140    HG   LEU  17           HG       LEU  17 -16.138   4.363   0.656
  141   1HD1  LEU  17          HD11      LEU  17 -14.012   3.594   2.543
  142   2HD1  LEU  17          HD12      LEU  17 -15.372   4.694   2.771
  143   3HD1  LEU  17          HD13      LEU  17 -13.899   5.262   1.982
  144   1HD2  LEU  17          HD21      LEU  17 -14.023   5.609  -0.141
  145   2HD2  LEU  17          HD22      LEU  17 -14.795   4.526  -1.300
  146   3HD2  LEU  17          HD23      LEU  17 -13.344   4.009  -0.443
  147    H    ARG  18           HN       ARG  18 -17.251   0.273   1.024
  148    HA   ARG  18           HA       ARG  18 -15.740  -2.020   0.420
  149   1HB   ARG  18          HB2       ARG  18 -17.206  -1.806   2.399
  150   2HB   ARG  18          HB1       ARG  18 -18.619  -1.847   1.342
  151   1HG   ARG  18          HG2       ARG  18 -18.237  -4.086   0.715
  152   2HG   ARG  18          HG1       ARG  18 -16.556  -4.043   1.249
  153   1HD   ARG  18          HD2       ARG  18 -17.117  -4.625   3.349
  154   2HD   ARG  18          HD1       ARG  18 -18.391  -3.409   3.414
  155    HE   ARG  18           HE       ARG  18 -19.281  -5.515   1.785
  156   1HH1  ARG  18          HH21      ARG  18 -18.353  -4.909   5.064
  157   2HH1  ARG  18          HH22      ARG  18 -19.504  -6.013   5.738
  158   1HH2  ARG  18          HH11      ARG  18 -20.791  -6.967   2.666
  159   2HH2  ARG  18          HH12      ARG  18 -20.888  -7.171   4.384
  160    H    SER  19           HN       SER  19 -18.884  -0.909  -0.827
  161    HA   SER  19           HA       SER  19 -19.159  -3.058  -2.690
  162   1HB   SER  19          HB2       SER  19 -20.925  -1.326  -1.715
  163   2HB   SER  19          HB1       SER  19 -20.480  -0.415  -3.155
  164    HG   SER  19           HG       SER  19 -22.110  -1.760  -3.762
  165    H    ILE  20           HN       ILE  20 -18.031   0.306  -2.921
  166    HA   ILE  20           HA       ILE  20 -17.548   0.337  -5.702
  167    HB   ILE  20           HB       ILE  20 -16.142   1.848  -3.484
  168   1HG1  ILE  20          HG12      ILE  20 -18.370   2.758  -5.326
  169   2HG1  ILE  20          HG11      ILE  20 -18.664   2.105  -3.714
  170   1HG2  ILE  20          HG21      ILE  20 -16.001   3.447  -5.657
  171   2HG2  ILE  20          HG22      ILE  20 -15.935   1.874  -6.451
  172   3HG2  ILE  20          HG23      ILE  20 -14.731   2.299  -5.235
  173   1HD1  ILE  20          HD11      ILE  20 -18.098   4.769  -4.333
  174   2HD1  ILE  20          HD12      ILE  20 -16.583   4.142  -3.684
  175   3HD1  ILE  20          HD13      ILE  20 -18.061   4.041  -2.727
  176    H    TYR  21           HN       TYR  21 -15.377  -0.307  -2.955
  177    HA   TYR  21           HA       TYR  21 -13.033  -0.930  -4.330
  178   1HB   TYR  21          HB2       TYR  21 -13.339  -0.756  -1.829
  179   2HB   TYR  21          HB1       TYR  21 -14.085  -2.348  -1.868
  180    HD1  TYR  21           HD1      TYR  21 -11.605  -2.004  -4.407
  181    HD2  TYR  21           HD2      TYR  21 -12.119  -2.819  -0.221
  182    HE1  TYR  21           HE1      TYR  21  -9.365  -3.069  -4.337
  183    HE2  TYR  21           HE2      TYR  21  -9.881  -3.882  -0.152
  184    HH   TYR  21           HH       TYR  21  -8.296  -4.987  -2.638
  185    H    ARG  22           HN       ARG  22 -15.689  -3.011  -3.318
  186    HA   ARG  22           HA       ARG  22 -14.860  -5.469  -4.266
  187   1HB   ARG  22          HB2       ARG  22 -16.824  -5.476  -3.002
  188   2HB   ARG  22          HB1       ARG  22 -17.556  -4.183  -3.953
  189   1HG   ARG  22          HG2       ARG  22 -18.494  -5.673  -5.345
  190   2HG   ARG  22          HG1       ARG  22 -16.925  -6.414  -5.662
  191   1HD   ARG  22          HD2       ARG  22 -17.127  -7.787  -3.658
  192   2HD   ARG  22          HD1       ARG  22 -18.628  -6.975  -3.220
  193    HE   ARG  22           HE       ARG  22 -18.495  -8.436  -5.776
  194   1HH1  ARG  22          HH21      ARG  22 -19.668  -8.050  -2.542
  195   2HH1  ARG  22          HH22      ARG  22 -20.952  -9.198  -2.723
  196   1HH2  ARG  22          HH11      ARG  22 -20.180  -9.945  -6.019
  197   2HH2  ARG  22          HH12      ARG  22 -21.242 -10.269  -4.690
  198    H    THR  23           HN       THR  23 -16.298  -2.792  -6.028
  199    HA   THR  23           HA       THR  23 -16.736  -4.196  -8.480
  200    HB   THR  23           HB       THR  23 -16.399  -1.227  -7.955
  201    HG1  THR  23           HG1      THR  23 -18.770  -2.720  -8.317
  202   1HG2  THR  23          HG21      THR  23 -17.344  -2.817 -10.339
  203   2HG2  THR  23          HG22      THR  23 -16.124  -1.543 -10.285
  204   3HG2  THR  23          HG23      THR  23 -17.829  -1.139 -10.090
  205    H    ILE  24           HN       ILE  24 -14.063  -2.490  -7.048
  206    HA   ILE  24           HA       ILE  24 -12.450  -2.169  -9.357
  207    HB   ILE  24           HB       ILE  24 -11.346  -2.667  -6.598
  208   1HG1  ILE  24          HG12      ILE  24 -13.326  -1.140  -6.442
  209   2HG1  ILE  24          HG11      ILE  24 -11.816  -0.352  -6.023
  210   1HG2  ILE  24          HG21      ILE  24  -9.471  -1.999  -7.652
  211   2HG2  ILE  24          HG22      ILE  24 -10.221  -0.423  -7.903
  212   3HG2  ILE  24          HG23      ILE  24 -10.376  -1.679  -9.132
  213   1HD1  ILE  24          HD11      ILE  24 -13.600   0.109  -8.340
  214   2HD1  ILE  24          HD12      ILE  24 -11.874   0.111  -8.702
  215   3HD1  ILE  24          HD13      ILE  24 -12.525   1.232  -7.507
  216    H    VAL  25           HN       VAL  25 -12.281  -4.563  -6.735
  217    HA   VAL  25           HA       VAL  25 -10.415  -6.287  -7.931
  218    HB   VAL  25           HB       VAL  25 -12.688  -6.953  -6.038
  219   1HG1  VAL  25          HG11      VAL  25 -10.111  -8.469  -6.528
  220   2HG1  VAL  25          HG12      VAL  25 -11.643  -8.895  -7.291
  221   3HG1  VAL  25          HG13      VAL  25 -11.480  -8.973  -5.537
  222   1HG2  VAL  25          HG21      VAL  25 -10.804  -6.842  -4.349
  223   2HG2  VAL  25          HG22      VAL  25 -11.234  -5.288  -5.064
  224   3HG2  VAL  25          HG23      VAL  25  -9.796  -6.145  -5.618
  225    H    LEU  26           HN       LEU  26 -13.807  -5.812  -8.431
  226    HA   LEU  26           HA       LEU  26 -14.274  -8.246  -9.895
  227   1HB   LEU  26          HB2       LEU  26 -15.834  -5.752  -9.303
  228   2HB   LEU  26          HB1       LEU  26 -16.414  -6.884 -10.519
  229    HG   LEU  26           HG       LEU  26 -15.698  -7.644  -7.675
  230   1HD1  LEU  26          HD11      LEU  26 -17.911  -6.206  -8.507
  231   2HD1  LEU  26          HD12      LEU  26 -17.829  -7.195  -7.049
  232   3HD1  LEU  26          HD13      LEU  26 -18.494  -7.871  -8.536
  233   1HD2  LEU  26          HD21      LEU  26 -16.705  -9.114 -10.094
  234   2HD2  LEU  26          HD22      LEU  26 -17.196  -9.660  -8.491
  235   3HD2  LEU  26          HD23      LEU  26 -15.486  -9.609  -8.919
  236    H    GLU  27           HN       GLU  27 -13.734  -4.831 -10.730
  237    HA   GLU  27           HA       GLU  27 -13.694  -5.553 -13.580
  238   1HB   GLU  27          HB2       GLU  27 -13.897  -2.892 -12.160
  239   2HB   GLU  27          HB1       GLU  27 -13.808  -3.083 -13.906
  240   1HG   GLU  27          HG2       GLU  27 -15.852  -4.447 -13.883
  241   2HG   GLU  27          HG1       GLU  27 -15.933  -4.307 -12.129
  242    H    TYR  28           HN       TYR  28 -11.554  -5.176 -11.044
  243    HA   TYR  28           HA       TYR  28  -9.484  -3.598 -11.976
  244   1HB   TYR  28          HB2       TYR  28  -9.578  -4.808  -9.764
  245   2HB   TYR  28          HB1       TYR  28  -9.075  -6.267 -10.619
  246    HD1  TYR  28           HD1      TYR  28  -6.813  -6.713 -10.261
  247    HD2  TYR  28           HD2      TYR  28  -8.086  -2.651 -10.843
  248    HE1  TYR  28           HE1      TYR  28  -4.453  -5.959 -10.159
  249    HE2  TYR  28           HE2      TYR  28  -5.725  -1.898 -10.740
  250    HH   TYR  28           HH       TYR  28  -3.599  -2.624  -9.917
  251    H    PHE  29           HN       PHE  29 -10.019  -7.056 -12.658
  252    HA   PHE  29           HA       PHE  29  -7.926  -6.983 -14.702
  253   1HB   PHE  29          HB2       PHE  29  -9.521  -9.188 -13.404
  254   2HB   PHE  29          HB1       PHE  29  -8.530  -9.471 -14.831
  255    HD1  PHE  29           HD1      PHE  29  -8.527  -8.759 -11.245
  256    HD2  PHE  29           HD2      PHE  29  -6.068  -9.139 -14.747
  257    HE1  PHE  29           HE1      PHE  29  -6.509  -8.907  -9.811
  258    HE2  PHE  29           HE2      PHE  29  -4.049  -9.287 -13.312
  259    HZ   PHE  29           HZ       PHE  29  -4.270  -9.172 -10.845
  260    H    ASN  30           HN       ASN  30 -10.704  -5.708 -14.844
  261    HA   ASN  30           HA       ASN  30 -12.283  -7.109 -16.706
  262   1HB   ASN  30          HB2       ASN  30 -13.535  -5.142 -16.890
  263   2HB   ASN  30          HB1       ASN  30 -12.835  -5.014 -15.282
  264   1HD2  ASN  30          HD21      ASN  30 -10.384  -3.986 -15.530
  265   2HD2  ASN  30          HD22      ASN  30 -10.364  -2.549 -16.432
  266    H    THR  31           HN       THR  31 -12.744  -5.728 -18.912
  267    HA   THR  31           HA       THR  31 -10.147  -5.747 -20.324
  268    HB   THR  31           HB       THR  31 -11.418  -6.330 -22.340
  269    HG1  THR  31           HG1      THR  31 -13.585  -6.546 -22.266
  270   1HG2  THR  31          HG21      THR  31 -12.549  -8.493 -21.113
  271   2HG2  THR  31          HG22      THR  31 -11.417  -7.951 -19.874
  272   3HG2  THR  31          HG23      THR  31 -10.831  -8.354 -21.488
  273    H    ASP  32           HN       ASP  32 -13.238  -4.033 -20.023
  274    HA   ASP  32           HA       ASP  32 -11.914  -1.643 -21.119
  275   1HB   ASP  32          HB2       ASP  32 -14.551  -2.793 -22.039
  276   2HB   ASP  32          HB1       ASP  32 -14.046  -1.137 -22.373
  277    H    ALA  33           HN       ALA  33 -13.540  -3.005 -18.616
  278    HA   ALA  33           HA       ALA  33 -15.513  -1.164 -17.883
  279   1HB   ALA  33          HB1       ALA  33 -13.648  -2.546 -15.949
  280   2HB   ALA  33          HB2       ALA  33 -14.982  -3.371 -16.756
  281   3HB   ALA  33          HB3       ALA  33 -15.309  -2.026 -15.663
  282    H    LYS  34           HN       LYS  34 -15.500   0.802 -16.891
  283    HA   LYS  34           HA       LYS  34 -13.001   2.268 -16.925
  284   1HB   LYS  34          HB2       LYS  34 -14.859   3.972 -15.839
  285   2HB   LYS  34          HB1       LYS  34 -14.525   3.806 -17.563
  286   1HG   LYS  34          HG2       LYS  34 -16.791   3.400 -17.607
  287   2HG   LYS  34          HG1       LYS  34 -16.228   1.757 -17.296
  288   1HD   LYS  34          HD2       LYS  34 -17.798   1.991 -15.601
  289   2HD   LYS  34          HD1       LYS  34 -16.341   2.540 -14.771
  290   1HE   LYS  34          HE2       LYS  34 -17.346   4.518 -14.395
  291   2HE   LYS  34          HE1       LYS  34 -17.388   4.790 -16.137
  292   1HZ   LYS  34          HZ1       LYS  34 -19.499   3.774 -16.295
  293   2HZ   LYS  34          HZ2       LYS  34 -19.598   4.849 -14.985
  294   3HZ   LYS  34          HZ3       LYS  34 -19.429   3.183 -14.708
  295    H    VAL  35           HN       VAL  35 -12.112   0.778 -15.220
  296    HA   VAL  35           HA       VAL  35 -13.038   0.852 -12.538
  297    HB   VAL  35           HB       VAL  35 -10.140   0.530 -13.273
  298   1HG1  VAL  35          HG11      VAL  35 -12.014  -0.361 -11.128
  299   2HG1  VAL  35          HG12      VAL  35 -10.335   0.165 -11.007
  300   3HG1  VAL  35          HG13      VAL  35 -10.711  -1.460 -11.579
  301   1HG2  VAL  35          HG21      VAL  35 -10.821  -1.931 -13.679
  302   2HG2  VAL  35          HG22      VAL  35 -11.134  -0.774 -14.975
  303   3HG2  VAL  35          HG23      VAL  35 -12.450  -1.298 -13.924
  304    H    ASN  36           HN       ASN  36 -10.882   2.897 -14.419
  305    HA   ASN  36           HA       ASN  36  -9.652   4.367 -12.412
  306   1HB   ASN  36          HB2       ASN  36  -9.091   4.604 -14.786
  307   2HB   ASN  36          HB1       ASN  36 -10.657   5.351 -15.089
  308   1HD2  ASN  36          HD21      ASN  36  -9.052   7.175 -15.843
  309   2HD2  ASN  36          HD22      ASN  36  -8.576   8.289 -14.655
  310    H    GLU  37           HN       GLU  37 -12.805   4.955 -13.978
  311    HA   GLU  37           HA       GLU  37 -13.470   7.241 -12.426
  312   1HB   GLU  37          HB2       GLU  37 -15.240   5.216 -13.825
  313   2HB   GLU  37          HB1       GLU  37 -15.812   6.734 -13.132
  314   1HG   GLU  37          HG2       GLU  37 -13.865   6.367 -15.418
  315   2HG   GLU  37          HG1       GLU  37 -15.439   7.160 -15.460
  316    H    ARG  38           HN       ARG  38 -13.783   3.800 -12.015
  317    HA   ARG  38           HA       ARG  38 -15.443   3.825  -9.684
  318   1HB   ARG  38          HB2       ARG  38 -13.698   1.825 -11.092
  319   2HB   ARG  38          HB1       ARG  38 -14.310   1.460  -9.481
  320   1HG   ARG  38          HG2       ARG  38 -16.000   2.247 -11.870
  321   2HG   ARG  38          HG1       ARG  38 -15.850   0.617 -11.210
  322   1HD   ARG  38          HD2       ARG  38 -17.671   1.207  -9.992
  323   2HD   ARG  38          HD1       ARG  38 -16.496   2.009  -8.966
  324    HE   ARG  38           HE       ARG  38 -17.043   3.946 -10.730
  325   1HH1  ARG  38          HH21      ARG  38 -19.085   1.708  -9.044
  326   2HH1  ARG  38          HH22      ARG  38 -20.449   2.774  -9.000
  327   1HH2  ARG  38          HH11      ARG  38 -18.840   5.345 -10.675
  328   2HH2  ARG  38          HH12      ARG  38 -20.311   4.826  -9.922
  329    H    ILE  39           HN       ILE  39 -11.966   3.400 -10.260
  330    HA   ILE  39           HA       ILE  39 -11.168   3.267  -7.558
  331    HB   ILE  39           HB       ILE  39  -9.659   4.162 -10.025
  332   1HG1  ILE  39          HG12      ILE  39  -9.623   1.523  -8.531
  333   2HG1  ILE  39          HG11      ILE  39 -10.578   1.814  -9.986
  334   1HG2  ILE  39          HG21      ILE  39  -7.800   4.438  -8.757
  335   2HG2  ILE  39          HG22      ILE  39  -8.174   3.040  -7.749
  336   3HG2  ILE  39          HG23      ILE  39  -8.924   4.598  -7.408
  337   1HD1  ILE  39          HD11      ILE  39  -8.542   2.346 -11.245
  338   2HD1  ILE  39          HD12      ILE  39  -8.401   0.746 -10.516
  339   3HD1  ILE  39          HD13      ILE  39  -7.567   2.122  -9.792
  340    H    ASP  40           HN       ASP  40 -11.852   5.935  -9.718
  341    HA   ASP  40           HA       ASP  40 -10.601   8.004  -8.257
  342   1HB   ASP  40          HB2       ASP  40 -11.445   8.197 -10.604
  343   2HB   ASP  40          HB1       ASP  40 -13.087   8.226  -9.963
  344    H    GLU  41           HN       GLU  41 -13.942   6.736  -8.169
  345    HA   GLU  41           HA       GLU  41 -14.940   8.543  -6.240
  346   1HB   GLU  41          HB2       GLU  41 -16.187   6.786  -7.676
  347   2HB   GLU  41          HB1       GLU  41 -15.790   5.662  -6.382
  348   1HG   GLU  41          HG2       GLU  41 -17.757   6.431  -5.497
  349   2HG   GLU  41          HG1       GLU  41 -16.712   7.718  -4.901
  350    H    PHE  42           HN       PHE  42 -13.213   5.531  -6.003
  351    HA   PHE  42           HA       PHE  42 -13.437   5.181  -3.178
  352   1HB   PHE  42          HB2       PHE  42 -12.856   3.388  -4.854
  353   2HB   PHE  42          HB1       PHE  42 -11.268   4.132  -5.006
  354    HD1  PHE  42           HD1      PHE  42  -9.669   4.101  -3.161
  355    HD2  PHE  42           HD2      PHE  42 -13.523   2.242  -2.796
  356    HE1  PHE  42           HE1      PHE  42  -8.899   2.905  -1.130
  357    HE2  PHE  42           HE2      PHE  42 -12.754   1.046  -0.764
  358    HZ   PHE  42           HZ       PHE  42 -10.441   1.377   0.069
  359    H    VAL  43           HN       VAL  43 -10.849   6.329  -5.295
  360    HA   VAL  43           HA       VAL  43  -9.037   7.053  -3.250
  361    HB   VAL  43           HB       VAL  43  -9.363   7.884  -6.128
  362   1HG1  VAL  43          HG11      VAL  43  -6.937   8.614  -4.528
  363   2HG1  VAL  43          HG12      VAL  43  -8.354   9.659  -4.447
  364   3HG1  VAL  43          HG13      VAL  43  -7.571   9.355  -5.997
  365   1HG2  VAL  43          HG21      VAL  43  -7.824   5.909  -4.561
  366   2HG2  VAL  43          HG22      VAL  43  -6.894   6.763  -5.792
  367   3HG2  VAL  43          HG23      VAL  43  -8.336   5.857  -6.246
  368    H    SER  44           HN       SER  44 -11.755   8.672  -4.738
  369    HA   SER  44           HA       SER  44 -11.104  11.269  -3.623
  370   1HB   SER  44          HB2       SER  44 -13.881  10.988  -4.353
  371   2HB   SER  44          HB1       SER  44 -12.626  11.996  -5.074
  372    HG   SER  44           HG       SER  44 -12.396  10.568  -6.595
  373    H    LYS  45           HN       LYS  45 -13.510   8.740  -2.883
  374    HA   LYS  45           HA       LYS  45 -14.698  10.083  -0.704
  375   1HB   LYS  45          HB2       LYS  45 -14.476   7.158  -1.414
  376   2HB   LYS  45          HB1       LYS  45 -15.354   7.723   0.008
  377   1HG   LYS  45          HG2       LYS  45 -16.520   9.350  -1.685
  378   2HG   LYS  45          HG1       LYS  45 -15.964   8.195  -2.897
  379   1HD   LYS  45          HD2       LYS  45 -17.911   7.779  -0.645
  380   2HD   LYS  45          HD1       LYS  45 -18.066   7.335  -2.345
  381   1HE   LYS  45          HE2       LYS  45 -16.185   5.686  -1.989
  382   2HE   LYS  45          HE1       LYS  45 -16.305   6.021  -0.259
  383   1HZ   LYS  45          HZ1       LYS  45 -17.863   4.282  -1.791
  384   2HZ   LYS  45          HZ2       LYS  45 -18.876   5.540  -1.266
  385   3HZ   LYS  45          HZ3       LYS  45 -17.998   4.625  -0.136
  386    H    ALA  46           HN       ALA  46 -11.985   7.795  -0.873
  387    HA   ALA  46           HA       ALA  46 -11.517   7.573   1.893
  388   1HB   ALA  46          HB1       ALA  46 -10.322   6.607  -0.448
  389   2HB   ALA  46          HB2       ALA  46  -9.866   6.217   1.211
  390   3HB   ALA  46          HB3       ALA  46  -9.059   7.536   0.361
  391    H    PHE  47           HN       PHE  47 -10.221   9.807  -0.541
  392    HA   PHE  47           HA       PHE  47  -8.617  11.283   1.326
  393   1HB   PHE  47          HB2       PHE  47  -7.896  11.398  -0.923
  394   2HB   PHE  47          HB1       PHE  47  -9.519  11.758  -1.513
  395    HD1  PHE  47           HD1      PHE  47  -7.212  13.158   1.103
  396    HD2  PHE  47           HD2      PHE  47  -9.808  13.950  -2.226
  397    HE1  PHE  47           HE1      PHE  47  -6.758  15.586   1.327
  398    HE2  PHE  47           HE2      PHE  47  -9.354  16.378  -2.003
  399    HZ   PHE  47           HZ       PHE  47  -7.829  17.196  -0.226
  400    H    PHE  48           HN       PHE  48 -11.840  11.575  -0.038
  401    HA   PHE  48           HA       PHE  48 -12.435  14.176   0.940
  402   1HB   PHE  48          HB2       PHE  48 -13.653  12.712  -0.848
  403   2HB   PHE  48          HB1       PHE  48 -14.516  12.046   0.538
  404    HD1  PHE  48           HD1      PHE  48 -15.913  13.505   1.974
  405    HD2  PHE  48           HD2      PHE  48 -14.018  14.968  -1.593
  406    HE1  PHE  48           HE1      PHE  48 -17.396  15.492   2.005
  407    HE2  PHE  48           HE2      PHE  48 -15.502  16.959  -1.562
  408    HZ   PHE  48           HZ       PHE  48 -17.191  17.220   0.237
  409    H    ALA  49           HN       ALA  49 -13.201  10.920   2.147
  410    HA   ALA  49           HA       ALA  49 -14.354  11.948   4.593
  411   1HB   ALA  49          HB1       ALA  49 -15.152   9.858   3.462
  412   2HB   ALA  49          HB2       ALA  49 -14.726   9.628   5.158
  413   3HB   ALA  49          HB3       ALA  49 -13.618   9.097   3.891
  414    H    ASP  50           HN       ASP  50 -11.547  12.673   4.119
  415    HA   ASP  50           HA       ASP  50  -9.401  12.248   5.051
  416   1HB   ASP  50          HB2       ASP  50 -10.656  13.981   6.392
  417   2HB   ASP  50          HB1       ASP  50 -11.128  12.693   7.499
  418    H    ILE  51           HN       ILE  51  -9.853   9.867   4.395
  419    HA   ILE  51           HA       ILE  51 -10.236   8.089   6.677
  420    HB   ILE  51           HB       ILE  51  -9.766   7.379   3.779
  421   1HG1  ILE  51          HG12      ILE  51 -12.109   8.496   5.161
  422   2HG1  ILE  51          HG11      ILE  51 -11.792   8.351   3.432
  423   1HG2  ILE  51          HG21      ILE  51  -9.455   5.624   5.574
  424   2HG2  ILE  51          HG22      ILE  51 -10.722   5.256   4.404
  425   3HG2  ILE  51          HG23      ILE  51 -11.149   5.861   6.004
  426   1HD1  ILE  51          HD11      ILE  51 -13.557   6.849   3.686
  427   2HD1  ILE  51          HD12      ILE  51 -13.038   6.369   5.300
  428   3HD1  ILE  51          HD13      ILE  51 -12.167   5.780   3.886
  429    H    SER  52           HN       SER  52  -8.700   6.528   7.276
  430    HA   SER  52           HA       SER  52  -5.955   7.306   6.603
  431   1HB   SER  52          HB2       SER  52  -6.645   7.146   9.018
  432   2HB   SER  52          HB1       SER  52  -6.894   5.419   8.781
  433    HG   SER  52           HG       SER  52  -4.514   6.928   8.677
  434    H    VAL  53           HN       VAL  53  -4.404   5.686   6.018
  435    HA   VAL  53           HA       VAL  53  -5.228   3.907   4.049
  436    HB   VAL  53           HB       VAL  53  -2.727   3.738   5.744
  437   1HG1  VAL  53          HG11      VAL  53  -2.056   2.829   3.279
  438   2HG1  VAL  53          HG12      VAL  53  -3.736   2.296   3.351
  439   3HG1  VAL  53          HG13      VAL  53  -2.591   1.768   4.583
  440   1HG2  VAL  53          HG21      VAL  53  -1.709   5.183   4.142
  441   2HG2  VAL  53          HG22      VAL  53  -3.257   5.940   4.516
  442   3HG2  VAL  53          HG23      VAL  53  -3.062   5.021   3.023
  443    H    SER  54           HN       SER  54  -4.711   3.338   7.497
  444    HA   SER  54           HA       SER  54  -4.814   0.553   7.536
  445   1HB   SER  54          HB2       SER  54  -5.614   0.819   9.879
  446   2HB   SER  54          HB1       SER  54  -4.210   1.814   9.507
  447    HG   SER  54           HG       SER  54  -5.382   3.509   9.894
  448    H    GLN  55           HN       GLN  55  -7.455   2.901   7.407
  449    HA   GLN  55           HA       GLN  55  -9.590   1.195   7.985
  450   1HB   GLN  55          HB2       GLN  55  -9.369   3.656   6.255
  451   2HB   GLN  55          HB1       GLN  55 -10.903   2.829   6.522
  452   1HG   GLN  55          HG2       GLN  55  -9.097   4.004   8.655
  453   2HG   GLN  55          HG1       GLN  55 -10.669   4.625   8.156
  454   1HE2  GLN  55          HE21      GLN  55 -10.555   4.066  10.811
  455   2HE2  GLN  55          HE22      GLN  55 -11.333   2.603  11.178
  456    H    VAL  56           HN       VAL  56  -8.135   1.989   4.829
  457    HA   VAL  56           HA       VAL  56  -9.823   0.335   3.283
  458    HB   VAL  56           HB       VAL  56  -6.976   1.238   2.783
  459   1HG1  VAL  56          HG11      VAL  56  -7.966   0.900   0.333
  460   2HG1  VAL  56          HG12      VAL  56  -8.967  -0.294   1.160
  461   3HG1  VAL  56          HG13      VAL  56  -7.209  -0.434   1.203
  462   1HG2  VAL  56          HG21      VAL  56  -7.908   3.252   2.391
  463   2HG2  VAL  56          HG22      VAL  56  -9.495   2.614   2.824
  464   3HG2  VAL  56          HG23      VAL  56  -8.934   2.528   1.153
  465    H    LEU  57           HN       LEU  57  -6.868  -0.270   5.071
  466    HA   LEU  57           HA       LEU  57  -6.159  -2.786   4.072
  467   1HB   LEU  57          HB2       LEU  57  -5.889  -1.703   6.884
  468   2HB   LEU  57          HB1       LEU  57  -4.993  -3.059   6.211
  469    HG   LEU  57           HG       LEU  57  -4.767  -0.145   5.583
  470   1HD1  LEU  57          HD11      LEU  57  -2.565  -2.178   5.484
  471   2HD1  LEU  57          HD12      LEU  57  -3.203  -1.688   7.053
  472   3HD1  LEU  57          HD13      LEU  57  -2.498  -0.485   5.973
  473   1HD2  LEU  57          HD21      LEU  57  -5.300  -1.075   3.425
  474   2HD2  LEU  57          HD22      LEU  57  -4.207  -2.434   3.685
  475   3HD2  LEU  57          HD23      LEU  57  -3.555  -0.808   3.472
  476    H    GLU  58           HN       GLU  58  -8.365  -1.837   6.616
  477    HA   GLU  58           HA       GLU  58  -9.026  -4.466   7.510
  478   1HB   GLU  58          HB2       GLU  58 -10.442  -1.804   7.819
  479   2HB   GLU  58          HB1       GLU  58 -10.932  -3.288   8.630
  480   1HG   GLU  58          HG2       GLU  58  -8.820  -3.430   9.797
  481   2HG   GLU  58          HG1       GLU  58  -8.166  -2.084   8.865
  482    H    ILE  59           HN       ILE  59 -10.625  -2.100   5.383
  483    HA   ILE  59           HA       ILE  59 -12.896  -3.631   4.758
  484    HB   ILE  59           HB       ILE  59 -11.371  -1.663   3.020
  485   1HG1  ILE  59          HG12      ILE  59 -13.793  -1.327   4.822
  486   2HG1  ILE  59          HG11      ILE  59 -12.173  -0.713   5.156
  487   1HG2  ILE  59          HG21      ILE  59 -13.763  -1.459   2.013
  488   2HG2  ILE  59          HG22      ILE  59 -14.038  -3.041   2.744
  489   3HG2  ILE  59          HG23      ILE  59 -12.771  -2.837   1.534
  490   1HD1  ILE  59          HD11      ILE  59 -13.203   1.161   4.213
  491   2HD1  ILE  59          HD12      ILE  59 -14.145   0.194   3.078
  492   3HD1  ILE  59          HD13      ILE  59 -12.419   0.436   2.809
  493    H    HIS  60           HN       HIS  60  -9.581  -3.697   3.657
  494    HA   HIS  60           HA       HIS  60  -9.971  -5.446   1.420
  495   1HB   HIS  60          HB2       HIS  60  -7.909  -4.113   1.730
  496   2HB   HIS  60          HB1       HIS  60  -7.521  -5.055   3.165
  497    HD1  HIS  60           HD1      HIS  60  -8.351  -5.762  -0.500
  498    HD2  HIS  60           HD2      HIS  60  -5.947  -7.233   2.572
  499    HE1  HIS  60           HE1      HIS  60  -7.010  -7.669  -1.490
  500    HE2  HIS  60           HE2      HIS  60  -5.540  -8.576   0.371
  501    H    VAL  61           HN       VAL  61  -8.787  -5.953   4.707
  502    HA   VAL  61           HA       VAL  61  -8.552  -8.708   4.788
  503    HB   VAL  61           HB       VAL  61  -9.712  -7.018   7.010
  504   1HG1  VAL  61          HG11      VAL  61  -8.560  -8.591   8.457
  505   2HG1  VAL  61          HG12      VAL  61  -7.862  -9.415   7.062
  506   3HG1  VAL  61          HG13      VAL  61  -9.601  -9.485   7.349
  507   1HG2  VAL  61          HG21      VAL  61  -7.039  -7.039   7.478
  508   2HG2  VAL  61          HG22      VAL  61  -7.870  -5.730   6.635
  509   3HG2  VAL  61          HG23      VAL  61  -7.050  -6.992   5.714
  510    H    GLU  62           HN       GLU  62 -11.382  -6.728   5.523
  511    HA   GLU  62           HA       GLU  62 -13.211  -8.807   6.052
  512   1HB   GLU  62          HB2       GLU  62 -13.411  -6.334   6.576
  513   2HB   GLU  62          HB1       GLU  62 -13.847  -6.099   4.891
  514   1HG   GLU  62          HG2       GLU  62 -15.652  -7.844   5.230
  515   2HG   GLU  62          HG1       GLU  62 -15.314  -7.751   6.956
  516    H    LEU  63           HN       LEU  63 -12.477  -7.002   3.125
  517    HA   LEU  63           HA       LEU  63 -14.430  -8.233   1.463
  518   1HB   LEU  63          HB2       LEU  63 -13.175  -6.065   1.000
  519   2HB   LEU  63          HB1       LEU  63 -11.793  -7.063   0.548
  520    HG   LEU  63           HG       LEU  63 -13.373  -8.276  -1.056
  521   1HD1  LEU  63          HD11      LEU  63 -15.345  -6.988   0.250
  522   2HD1  LEU  63          HD12      LEU  63 -15.501  -7.490  -1.434
  523   3HD1  LEU  63          HD13      LEU  63 -15.067  -5.825  -1.047
  524   1HD2  LEU  63          HD21      LEU  63 -12.765  -6.824  -2.757
  525   2HD2  LEU  63          HD22      LEU  63 -11.712  -6.230  -1.473
  526   3HD2  LEU  63          HD23      LEU  63 -13.220  -5.390  -1.836
  527    H    MET  64           HN       MET  64 -10.905  -8.723   1.737
  528    HA   MET  64           HA       MET  64 -10.679 -10.929   0.053
  529   1HB   MET  64          HB2       MET  64  -9.155 -10.357   2.611
  530   2HB   MET  64          HB1       MET  64  -8.663 -11.505   1.364
  531   1HG   MET  64          HG2       MET  64  -9.073  -8.530   0.937
  532   2HG   MET  64          HG1       MET  64  -7.510  -9.330   1.095
  533   1HE   MET  64          HE1       MET  64  -9.369  -7.602  -1.197
  534   2HE   MET  64          HE2       MET  64 -10.691  -8.756  -1.032
  535   3HE   MET  64          HE3       MET  64  -9.857  -8.597  -2.576
  536    H    ASP  65           HN       ASP  65 -11.828 -10.615   3.343
  537    HA   ASP  65           HA       ASP  65 -11.897 -13.409   3.974
  538   1HB   ASP  65          HB2       ASP  65 -12.067 -11.412   5.579
  539   2HB   ASP  65          HB1       ASP  65 -13.751 -11.298   5.085
  540    H    THR  66           HN       THR  66 -14.246 -11.083   2.773
  541    HA   THR  66           HA       THR  66 -16.478 -12.771   2.562
  542    HB   THR  66           HB       THR  66 -15.697 -10.346   0.922
  543    HG1  THR  66           HG1      THR  66 -17.634 -10.312   2.908
  544   1HG2  THR  66          HG21      THR  66 -17.500 -11.868  -0.046
  545   2HG2  THR  66          HG22      THR  66 -17.970 -10.193   0.244
  546   3HG2  THR  66          HG23      THR  66 -18.469 -11.456   1.370
  547    H    PHE  67           HN       PHE  67 -14.080 -11.853   0.074
  548    HA   PHE  67           HA       PHE  67 -15.145 -13.453  -1.976
  549   1HB   PHE  67          HB2       PHE  67 -12.435 -12.281  -1.440
  550   2HB   PHE  67          HB1       PHE  67 -12.682 -13.371  -2.804
  551    HD1  PHE  67           HD1      PHE  67 -13.397 -10.069  -1.407
  552    HD2  PHE  67           HD2      PHE  67 -14.271 -12.792  -4.611
  553    HE1  PHE  67           HE1      PHE  67 -14.400  -8.213  -2.711
  554    HE2  PHE  67           HE2      PHE  67 -15.275 -10.937  -5.916
  555    HZ   PHE  67           HZ       PHE  67 -15.338  -8.647  -4.966
  556    H    SER  68           HN       SER  68 -13.052 -14.201   0.731
  557    HA   SER  68           HA       SER  68 -12.007 -16.659  -0.138
  558   1HB   SER  68          HB2       SER  68 -11.835 -15.183   2.174
  559   2HB   SER  68          HB1       SER  68 -12.781 -16.573   2.697
  560    HG   SER  68           HG       SER  68 -10.660 -17.182   1.055
  561    H    LYS  69           HN       LYS  69 -14.987 -15.897   1.645
  562    HA   LYS  69           HA       LYS  69 -15.962 -18.558   1.794
  563   1HB   LYS  69          HB2       LYS  69 -17.440 -15.915   1.769
  564   2HB   LYS  69          HB1       LYS  69 -18.171 -17.466   2.185
  565   1HG   LYS  69          HG2       LYS  69 -15.937 -17.457   3.784
  566   2HG   LYS  69          HG1       LYS  69 -16.377 -15.748   3.761
  567   1HD   LYS  69          HD2       LYS  69 -18.821 -16.970   4.069
  568   2HD   LYS  69          HD1       LYS  69 -17.757 -18.021   5.009
  569   1HE   LYS  69          HE2       LYS  69 -17.728 -15.006   5.296
  570   2HE   LYS  69          HE1       LYS  69 -18.766 -16.038   6.283
  571   1HZ   LYS  69          HZ1       LYS  69 -16.118 -15.426   6.738
  572   2HZ   LYS  69          HZ2       LYS  69 -16.111 -17.045   6.201
  573   3HZ   LYS  69          HZ3       LYS  69 -17.050 -16.592   7.547
  574    H    GLN  70           HN       GLN  70 -16.058 -16.096  -0.668
  575    HA   GLN  70           HA       GLN  70 -18.090 -17.209  -2.309
  576   1HB   GLN  70          HB2       GLN  70 -16.463 -14.928  -2.322
  577   2HB   GLN  70          HB1       GLN  70 -16.047 -15.796  -3.800
  578   1HG   GLN  70          HG2       GLN  70 -18.401 -15.897  -4.445
  579   2HG   GLN  70          HG1       GLN  70 -18.873 -15.129  -2.929
  580   1HE2  GLN  70          HE21      GLN  70 -18.530 -14.385  -6.105
  581   2HE2  GLN  70          HE22      GLN  70 -18.057 -12.759  -5.983
  582    H    LEU  71           HN       LEU  71 -14.580 -17.110  -2.925
  583    HA   LEU  71           HA       LEU  71 -14.363 -18.820  -5.013
  584   1HB   LEU  71          HB2       LEU  71 -12.593 -18.421  -2.625
  585   2HB   LEU  71          HB1       LEU  71 -12.172 -19.625  -3.839
  586    HG   LEU  71           HG       LEU  71 -11.096 -17.811  -4.757
  587   1HD1  LEU  71          HD11      LEU  71 -12.358 -16.937  -6.583
  588   2HD1  LEU  71          HD12      LEU  71 -13.881 -17.122  -5.715
  589   3HD1  LEU  71          HD13      LEU  71 -13.003 -18.548  -6.276
  590   1HD2  LEU  71          HD21      LEU  71 -13.259 -16.108  -3.494
  591   2HD2  LEU  71          HD22      LEU  71 -12.003 -15.458  -4.544
  592   3HD2  LEU  71          HD23      LEU  71 -11.567 -16.219  -3.014
  593    H    LYS  72           HN       LYS  72 -14.641 -19.795  -1.598
  594    HA   LYS  72           HA       LYS  72 -14.345 -22.539  -1.910
  595   1HB   LYS  72          HB2       LYS  72 -16.127 -20.978  -0.029
  596   2HB   LYS  72          HB1       LYS  72 -15.878 -22.721   0.090
  597   1HG   LYS  72          HG2       LYS  72 -13.327 -22.068   0.018
  598   2HG   LYS  72          HG1       LYS  72 -13.921 -20.494   0.553
  599   1HD   LYS  72          HD2       LYS  72 -14.759 -21.348   2.568
  600   2HD   LYS  72          HD1       LYS  72 -14.844 -22.996   1.948
  601   1HE   LYS  72          HE2       LYS  72 -12.140 -21.773   2.009
  602   2HE   LYS  72          HE1       LYS  72 -12.862 -22.139   3.577
  603   1HZ   LYS  72          HZ1       LYS  72 -11.931 -23.937   1.508
  604   2HZ   LYS  72          HZ2       LYS  72 -13.435 -24.355   2.180
  605   3HZ   LYS  72          HZ3       LYS  72 -12.073 -24.188   3.181
  606    H    LEU  73           HN       LEU  73 -17.276 -20.557  -2.296
  607    HA   LEU  73           HA       LEU  73 -18.950 -22.775  -2.990
  608   1HB   LEU  73          HB2       LEU  73 -19.411 -19.866  -3.637
  609   2HB   LEU  73          HB1       LEU  73 -20.616 -21.137  -3.457
  610    HG   LEU  73           HG       LEU  73 -18.783 -20.570  -1.163
  611   1HD1  LEU  73          HD11      LEU  73 -21.335 -19.022  -1.624
  612   2HD1  LEU  73          HD12      LEU  73 -19.758 -18.390  -2.100
  613   3HD1  LEU  73          HD13      LEU  73 -20.094 -18.737  -0.403
  614   1HD2  LEU  73          HD21      LEU  73 -20.999 -21.106   0.024
  615   2HD2  LEU  73          HD22      LEU  73 -20.254 -22.429  -0.873
  616   3HD2  LEU  73          HD23      LEU  73 -21.618 -21.552  -1.566
  617    H    GLU  74           HN       GLU  74 -16.803 -20.630  -4.677
  618    HA   GLU  74           HA       GLU  74 -17.879 -21.160  -7.293
  619   1HB   GLU  74          HB2       GLU  74 -15.237 -19.928  -6.539
  620   2HB   GLU  74          HB1       GLU  74 -16.047 -19.833  -8.106
  621   1HG   GLU  74          HG2       GLU  74 -16.701 -18.459  -5.553
  622   2HG   GLU  74          HG1       GLU  74 -16.821 -17.873  -7.208
  623    H    GLY  75           HN       GLY  75 -15.994 -22.927  -5.162
  624   1HA   GLY  75          HA2       GLY  75 -14.592 -24.750  -5.362
  625   2HA   GLY  75          HA1       GLY  75 -15.565 -25.120  -6.783
  626    H    ARG  76           HN       ARG  76 -13.615 -22.221  -6.462
  627    HA   ARG  76           HA       ARG  76 -12.088 -23.009  -8.834
  628   1HB   ARG  76          HB2       ARG  76 -12.337 -20.395  -7.332
  629   2HB   ARG  76          HB1       ARG  76 -11.300 -20.629  -8.741
  630   1HG   ARG  76          HG2       ARG  76 -13.503 -21.554  -9.845
  631   2HG   ARG  76          HG1       ARG  76 -14.297 -20.620  -8.573
  632   1HD   ARG  76          HD2       ARG  76 -13.004 -18.617  -9.277
  633   2HD   ARG  76          HD1       ARG  76 -12.301 -19.557 -10.588
  634    HE   ARG  76           HE       ARG  76 -15.055 -19.802 -10.851
  635   1HH1  ARG  76          HH21      ARG  76 -12.697 -17.267 -10.758
  636   2HH1  ARG  76          HH22      ARG  76 -13.527 -16.267 -11.902
  637   1HH2  ARG  76          HH11      ARG  76 -16.146 -18.483 -12.355
  638   2HH2  ARG  76          HH12      ARG  76 -15.467 -16.956 -12.808
  639    H    SER  77           HN       SER  77 -10.268 -20.766  -7.401
  640    HA   SER  77           HA       SER  77  -8.775 -22.430  -5.545
  641   1HB   SER  77          HB2       SER  77  -7.919 -23.139  -7.772
  642   2HB   SER  77          HB1       SER  77  -7.474 -21.468  -8.103
  643    HG   SER  77           HG       SER  77  -6.530 -23.129  -6.001
  644    H    GLU  78           HN       GLU  78  -9.067 -20.860  -4.013
  645    HA   GLU  78           HA       GLU  78  -9.171 -18.245  -3.923
  646   1HB   GLU  78          HB2       GLU  78  -7.183 -19.822  -2.279
  647   2HB   GLU  78          HB1       GLU  78  -7.798 -18.216  -1.876
  648   1HG   GLU  78          HG2       GLU  78 -10.106 -19.119  -1.863
  649   2HG   GLU  78          HG1       GLU  78  -9.469 -20.724  -2.212
  650    H    ASP  79           HN       ASP  79  -6.636 -19.822  -5.547
  651    HA   ASP  79           HA       ASP  79  -4.420 -18.228  -5.337
  652   1HB   ASP  79          HB2       ASP  79  -5.684 -19.325  -7.859
  653   2HB   ASP  79          HB1       ASP  79  -4.060 -18.641  -7.785
  654    H    ILE  80           HN       ILE  80  -7.336 -17.546  -7.245
  655    HA   ILE  80           HA       ILE  80  -6.501 -15.072  -8.307
  656    HB   ILE  80           HB       ILE  80  -8.458 -15.988  -9.270
  657   1HG1  ILE  80          HG12      ILE  80  -9.560 -13.876  -7.403
  658   2HG1  ILE  80          HG11      ILE  80  -8.483 -13.481  -8.743
  659   1HG2  ILE  80          HG21      ILE  80 -10.292 -15.899  -7.018
  660   2HG2  ILE  80          HG22      ILE  80  -8.929 -16.963  -6.674
  661   3HG2  ILE  80          HG23      ILE  80  -9.927 -17.242  -8.101
  662   1HD1  ILE  80          HD11      ILE  80 -10.776 -13.230  -9.503
  663   2HD1  ILE  80          HD12      ILE  80 -11.183 -14.847  -8.929
  664   3HD1  ILE  80          HD13      ILE  80 -10.079 -14.646 -10.290
  665    H    LEU  81           HN       LEU  81  -8.293 -15.886  -5.360
  666    HA   LEU  81           HA       LEU  81  -8.520 -13.206  -4.410
  667   1HB   LEU  81          HB2       LEU  81 -10.032 -14.933  -3.612
  668   2HB   LEU  81          HB1       LEU  81  -8.675 -15.860  -2.966
  669    HG   LEU  81           HG       LEU  81  -8.112 -13.741  -1.614
  670   1HD1  LEU  81          HD11      LEU  81  -9.868 -12.151  -1.283
  671   2HD1  LEU  81          HD12      LEU  81 -11.028 -13.159  -2.149
  672   3HD1  LEU  81          HD13      LEU  81  -9.726 -12.362  -3.030
  673   1HD2  LEU  81          HD21      LEU  81 -10.681 -14.595  -0.529
  674   2HD2  LEU  81          HD22      LEU  81  -9.057 -14.864   0.105
  675   3HD2  LEU  81          HD23      LEU  81  -9.726 -15.962  -1.103
  676    H    LEU  82           HN       LEU  82  -6.069 -15.613  -4.367
  677    HA   LEU  82           HA       LEU  82  -4.576 -14.536  -2.154
  678   1HB   LEU  82          HB2       LEU  82  -4.075 -16.756  -2.365
  679   2HB   LEU  82          HB1       LEU  82  -4.290 -16.749  -4.114
  680    HG   LEU  82           HG       LEU  82  -2.147 -15.865  -4.496
  681   1HD1  LEU  82          HD11      LEU  82  -2.518 -14.159  -2.546
  682   2HD1  LEU  82          HD12      LEU  82  -0.869 -14.636  -2.950
  683   3HD1  LEU  82          HD13      LEU  82  -1.683 -15.359  -1.562
  684   1HD2  LEU  82          HD21      LEU  82  -2.096 -18.210  -3.700
  685   2HD2  LEU  82          HD22      LEU  82  -1.891 -17.636  -2.044
  686   3HD2  LEU  82          HD23      LEU  82  -0.629 -17.344  -3.242
  687    H    ASP  83           HN       ASP  83  -5.005 -13.671  -5.399
  688    HA   ASP  83           HA       ASP  83  -2.395 -12.344  -5.582
  689   1HB   ASP  83          HB2       ASP  83  -2.902 -12.069  -7.917
  690   2HB   ASP  83          HB1       ASP  83  -3.220 -13.742  -7.484
  691    H    TYR  84           HN       TYR  84  -5.530 -11.728  -4.583
  692    HA   TYR  84           HA       TYR  84  -6.053  -9.164  -5.615
  693   1HB   TYR  84          HB2       TYR  84  -6.938 -10.587  -3.115
  694   2HB   TYR  84          HB1       TYR  84  -7.468  -8.946  -3.487
  695    HD1  TYR  84           HD1      TYR  84  -6.855 -10.418  -6.570
  696    HD2  TYR  84           HD2      TYR  84  -9.693 -10.553  -3.346
  697    HE1  TYR  84           HE1      TYR  84  -8.571 -11.310  -8.118
  698    HE2  TYR  84           HE2      TYR  84 -11.408 -11.450  -4.897
  699    HH   TYR  84           HH       TYR  84 -11.712 -11.254  -7.615
  700    H    ARG  85           HN       ARG  85  -3.759 -10.181  -3.249
  701    HA   ARG  85           HA       ARG  85  -3.520  -7.961  -1.585
  702   1HB   ARG  85          HB2       ARG  85  -1.195  -8.603  -1.283
  703   2HB   ARG  85          HB1       ARG  85  -2.189 -10.059  -1.372
  704   1HG   ARG  85          HG2       ARG  85  -1.621 -10.278  -3.780
  705   2HG   ARG  85          HG1       ARG  85  -0.580  -8.859  -3.648
  706   1HD   ARG  85          HD2       ARG  85   0.801 -10.006  -1.973
  707   2HD   ARG  85          HD1       ARG  85  -0.256 -11.413  -2.048
  708    HE   ARG  85           HE       ARG  85   0.479 -11.251  -4.599
  709   1HH1  ARG  85          HH21      ARG  85   2.317 -10.801  -1.696
  710   2HH1  ARG  85          HH22      ARG  85   3.798 -11.377  -2.383
  711   1HH2  ARG  85          HH11      ARG  85   2.430 -12.008  -5.499
  712   2HH2  ARG  85          HH12      ARG  85   3.863 -12.062  -4.528
  713    H    LEU  86           HN       LEU  86  -2.393  -8.442  -4.893
  714    HA   LEU  86           HA       LEU  86  -0.809  -6.122  -5.125
  715   1HB   LEU  86          HB2       LEU  86  -2.393  -7.674  -7.181
  716   2HB   LEU  86          HB1       LEU  86  -1.291  -6.359  -7.587
  717    HG   LEU  86           HG       LEU  86  -0.451  -8.772  -5.963
  718   1HD1  LEU  86          HD11      LEU  86   0.738  -9.318  -8.224
  719   2HD1  LEU  86          HD12      LEU  86  -0.512  -8.295  -8.935
  720   3HD1  LEU  86          HD13      LEU  86  -0.963  -9.745  -8.037
  721   1HD2  LEU  86          HD21      LEU  86   1.796  -7.880  -7.065
  722   2HD2  LEU  86          HD22      LEU  86   1.163  -7.142  -5.593
  723   3HD2  LEU  86          HD23      LEU  86   0.889  -6.369  -7.154
  724    H    THR  87           HN       THR  87  -4.257  -6.707  -5.753
  725    HA   THR  87           HA       THR  87  -4.917  -4.146  -6.713
  726    HB   THR  87           HB       THR  87  -6.704  -5.968  -5.087
  727    HG1  THR  87           HG1      THR  87  -6.453  -7.284  -6.684
  728   1HG2  THR  87          HG21      THR  87  -7.206  -3.453  -5.976
  729   2HG2  THR  87          HG22      THR  87  -8.447  -4.698  -5.831
  730   3HG2  THR  87          HG23      THR  87  -7.686  -4.389  -7.392
  731    H    LEU  88           HN       LEU  88  -5.083  -5.489  -3.413
  732    HA   LEU  88           HA       LEU  88  -6.052  -3.233  -2.093
  733   1HB   LEU  88          HB2       LEU  88  -5.631  -5.591  -1.171
  734   2HB   LEU  88          HB1       LEU  88  -3.964  -5.072  -0.925
  735    HG   LEU  88           HG       LEU  88  -6.317  -4.468   0.652
  736   1HD1  LEU  88          HD11      LEU  88  -4.667  -4.920   2.103
  737   2HD1  LEU  88          HD12      LEU  88  -4.067  -3.289   1.795
  738   3HD1  LEU  88          HD13      LEU  88  -3.432  -4.654   0.874
  739   1HD2  LEU  88          HD21      LEU  88  -4.780  -2.174  -0.572
  740   2HD2  LEU  88          HD22      LEU  88  -5.600  -2.020   0.983
  741   3HD2  LEU  88          HD23      LEU  88  -6.529  -2.385  -0.470
  742    H    ILE  89           HN       ILE  89  -2.680  -4.210  -2.694
  743    HA   ILE  89           HA       ILE  89  -1.496  -1.909  -1.540
  744    HB   ILE  89           HB       ILE  89  -0.414  -3.724  -3.714
  745   1HG1  ILE  89          HG12      ILE  89  -0.698  -3.964  -0.761
  746   2HG1  ILE  89          HG11      ILE  89  -0.633  -5.227  -1.991
  747   1HG2  ILE  89          HG21      ILE  89   0.650  -1.401  -2.247
  748   2HG2  ILE  89          HG22      ILE  89   1.202  -2.128  -3.755
  749   3HG2  ILE  89          HG23      ILE  89   1.700  -2.817  -2.210
  750   1HD1  ILE  89          HD11      ILE  89   1.685  -3.670  -0.820
  751   2HD1  ILE  89          HD12      ILE  89   1.833  -4.658  -2.275
  752   3HD1  ILE  89          HD13      ILE  89   1.406  -5.412  -0.736
  753    H    ASP  90           HN       ASP  90  -2.724  -2.652  -4.747
  754    HA   ASP  90           HA       ASP  90  -1.649  -0.343  -6.044
  755   1HB   ASP  90          HB2       ASP  90  -2.235  -2.108  -7.490
  756   2HB   ASP  90          HB1       ASP  90  -3.811  -2.323  -6.732
  757    H    VAL  91           HN       VAL  91  -4.788  -1.121  -4.572
  758    HA   VAL  91           HA       VAL  91  -6.186   1.187  -5.281
  759    HB   VAL  91           HB       VAL  91  -6.372  -0.566  -2.829
  760   1HG1  VAL  91          HG11      VAL  91  -7.951   1.857  -3.673
  761   2HG1  VAL  91          HG12      VAL  91  -7.345   1.437  -2.071
  762   3HG1  VAL  91          HG13      VAL  91  -8.723   0.569  -2.749
  763   1HG2  VAL  91          HG21      VAL  91  -6.966  -1.665  -4.920
  764   2HG2  VAL  91          HG22      VAL  91  -7.981  -0.301  -5.389
  765   3HG2  VAL  91          HG23      VAL  91  -8.448  -1.320  -4.027
  766    H    ILE  92           HN       ILE  92  -4.478   0.587  -2.188
  767    HA   ILE  92           HA       ILE  92  -4.744   3.210  -1.216
  768    HB   ILE  92           HB       ILE  92  -2.883   2.577   0.313
  769   1HG1  ILE  92          HG12      ILE  92  -2.884   0.048  -1.362
  770   2HG1  ILE  92          HG11      ILE  92  -1.578   1.232  -1.287
  771   1HG2  ILE  92          HG21      ILE  92  -5.462   1.512   0.108
  772   2HG2  ILE  92          HG22      ILE  92  -4.435   1.493   1.538
  773   3HG2  ILE  92          HG23      ILE  92  -4.432   0.124   0.432
  774   1HD1  ILE  92          HD11      ILE  92  -2.484  -0.722   0.804
  775   2HD1  ILE  92          HD12      ILE  92  -1.717   0.785   1.306
  776   3HD1  ILE  92          HD13      ILE  92  -0.847  -0.344   0.267
  777    H    ALA  93           HN       ALA  93  -2.252   1.661  -3.177
  778    HA   ALA  93           HA       ALA  93  -0.373   3.771  -3.142
  779   1HB   ALA  93          HB1       ALA  93  -0.925   1.647  -5.228
  780   2HB   ALA  93          HB2       ALA  93   0.268   1.570  -3.930
  781   3HB   ALA  93          HB3       ALA  93   0.473   2.723  -5.250
  782    H    HIS  94           HN       HIS  94  -3.309   3.222  -4.958
  783    HA   HIS  94           HA       HIS  94  -2.847   5.189  -6.977
  784   1HB   HIS  94          HB2       HIS  94  -4.841   3.259  -6.359
  785   2HB   HIS  94          HB1       HIS  94  -5.642   4.823  -6.511
  786    HD1  HIS  94           HD1      HIS  94  -5.622   5.961  -8.814
  787    HD2  HIS  94           HD2      HIS  94  -3.539   2.354  -8.744
  788    HE1  HIS  94           HE1      HIS  94  -5.125   5.376 -11.227
  789    HE2  HIS  94           HE2      HIS  94  -3.854   3.178 -11.202
  790    H    LEU  95           HN       LEU  95  -5.000   5.208  -4.108
  791    HA   LEU  95           HA       LEU  95  -5.755   7.900  -4.341
  792   1HB   LEU  95          HB2       LEU  95  -6.864   7.600  -2.380
  793   2HB   LEU  95          HB1       LEU  95  -6.517   5.902  -2.710
  794    HG   LEU  95           HG       LEU  95  -4.201   6.940  -1.486
  795   1HD1  LEU  95          HD11      LEU  95  -6.554   7.508   0.299
  796   2HD1  LEU  95          HD12      LEU  95  -5.974   8.759  -0.801
  797   3HD1  LEU  95          HD13      LEU  95  -4.897   8.094   0.425
  798   1HD2  LEU  95          HD21      LEU  95  -5.803   4.734  -1.368
  799   2HD2  LEU  95          HD22      LEU  95  -6.134   5.479   0.198
  800   3HD2  LEU  95          HD23      LEU  95  -4.479   5.054  -0.246
  801    H    CYS  96           HN       CYS  96  -3.026   6.358  -2.748
  802    HA   CYS  96           HA       CYS  96  -2.032   8.637  -1.412
  803   1HB   CYS  96          HB2       CYS  96  -0.754   6.090  -2.401
  804   2HB   CYS  96          HB1       CYS  96   0.180   7.343  -1.585
  805    H    GLU  97           HN       GLU  97  -1.574   7.372  -4.679
  806    HA   GLU  97           HA       GLU  97   0.484   9.096  -5.504
  807   1HB   GLU  97          HB2       GLU  97  -1.800   7.814  -7.019
  808   2HB   GLU  97          HB1       GLU  97  -0.551   8.775  -7.811
  809   1HG   GLU  97          HG2       GLU  97  -0.069   6.304  -6.120
  810   2HG   GLU  97          HG1       GLU  97   0.024   6.380  -7.878
  811    H    MET  98           HN       MET  98  -2.993   9.506  -5.179
  812    HA   MET  98           HA       MET  98  -3.158  12.034  -6.487
  813   1HB   MET  98          HB2       MET  98  -5.383  12.006  -5.924
  814   2HB   MET  98          HB1       MET  98  -5.030  10.289  -5.735
  815   1HG   MET  98          HG2       MET  98  -5.678  10.452  -3.589
  816   2HG   MET  98          HG1       MET  98  -4.280  11.492  -3.311
  817   1HE   MET  98          HE1       MET  98  -8.302  11.537  -4.009
  818   2HE   MET  98          HE2       MET  98  -7.318  11.653  -5.466
  819   3HE   MET  98          HE3       MET  98  -8.267  13.041  -4.940
  820    H    TYR  99           HN       TYR  99  -2.579  11.002  -3.151
  821    HA   TYR  99           HA       TYR  99  -2.817  13.484  -1.862
  822   1HB   TYR  99          HB2       TYR  99  -1.007  11.120  -1.330
  823   2HB   TYR  99          HB1       TYR  99  -1.076  12.526  -0.271
  824    HD1  TYR  99           HD1      TYR  99  -1.780   9.667   0.497
  825    HD2  TYR  99           HD2      TYR  99  -4.182  12.923  -0.945
  826    HE1  TYR  99           HE1      TYR  99  -3.757   8.714   1.643
  827    HE2  TYR  99           HE2      TYR  99  -6.162  11.966   0.195
  828    HH   TYR  99           HH       TYR  99  -6.355  10.265   2.418
  829    H    ARG 100           HN       ARG 100  -0.038  11.944  -3.398
  830    HA   ARG 100           HA       ARG 100   1.902  13.880  -2.913
  831   1HB   ARG 100          HB2       ARG 100   2.183  11.557  -3.905
  832   2HB   ARG 100          HB1       ARG 100   1.697  12.260  -5.447
  833   1HG   ARG 100          HG2       ARG 100   3.549  13.839  -5.362
  834   2HG   ARG 100          HG1       ARG 100   4.002  13.264  -3.756
  835   1HD   ARG 100          HD2       ARG 100   4.955  11.352  -4.563
  836   2HD   ARG 100          HD1       ARG 100   3.768  11.185  -5.854
  837    HE   ARG 100           HE       ARG 100   5.257  13.388  -6.557
  838   1HH1  ARG 100          HH21      ARG 100   5.880  10.088  -5.719
  839   2HH1  ARG 100          HH22      ARG 100   7.278   9.952  -6.733
  840   1HH2  ARG 100          HH11      ARG 100   7.090  13.213  -7.887
  841   2HH2  ARG 100          HH12      ARG 100   7.962  11.717  -7.961
  842    H    ARG 101           HN       ARG 101  -0.326  13.558  -5.665
  843    HA   ARG 101           HA       ARG 101   0.600  15.782  -7.122
  844   1HB   ARG 101          HB2       ARG 101  -2.163  14.553  -7.064
  845   2HB   ARG 101          HB1       ARG 101  -1.522  15.603  -8.326
  846   1HG   ARG 101          HG2       ARG 101   0.206  13.985  -8.871
  847   2HG   ARG 101          HG1       ARG 101  -0.282  12.960  -7.520
  848   1HD   ARG 101          HD2       ARG 101  -1.394  11.928  -9.279
  849   2HD   ARG 101          HD1       ARG 101  -2.636  13.036  -8.700
  850    HE   ARG 101           HE       ARG 101  -1.463  14.554 -10.550
  851   1HH1  ARG 101          HH21      ARG 101  -2.324  11.197 -10.586
  852   2HH1  ARG 101          HH22      ARG 101  -2.598  11.147 -12.295
  853   1HH2  ARG 101          HH11      ARG 101  -1.814  14.487 -12.791
  854   2HH2  ARG 101          HH12      ARG 101  -2.309  13.006 -13.541
  855    H    SER 102           HN       SER 102  -1.314  15.594  -4.263
  856    HA   SER 102           HA       SER 102  -2.444  18.263  -4.657
  857   1HB   SER 102          HB2       SER 102  -2.848  16.080  -2.636
  858   2HB   SER 102          HB1       SER 102  -3.386  17.722  -2.293
  859    HG   SER 102           HG       SER 102  -4.527  15.858  -3.841
  860    H    ILE 103           HN       ILE 103   0.522  17.571  -4.132
  861    HA   ILE 103           HA       ILE 103   0.920  19.152  -1.671
  862    HB   ILE 103           HB       ILE 103   2.995  17.592  -3.215
  863   1HG1  ILE 103          HG12      ILE 103   0.763  16.601  -1.756
  864   2HG1  ILE 103          HG11      ILE 103   2.135  15.688  -2.382
  865   1HG2  ILE 103          HG21      ILE 103   4.105  19.062  -1.759
  866   2HG2  ILE 103          HG22      ILE 103   3.952  17.599  -0.785
  867   3HG2  ILE 103          HG23      ILE 103   2.845  18.948  -0.531
  868   1HD1  ILE 103          HD11      ILE 103   1.520  16.414   0.360
  869   2HD1  ILE 103          HD12      ILE 103   3.124  16.983  -0.104
  870   3HD1  ILE 103          HD13      ILE 103   2.719  15.272  -0.247
  871    HA   PRO 104           HA       PRO 104   2.070  22.314  -4.713
  872   1HB   PRO 104          HB2       PRO 104   1.216  24.425  -3.250
  873   2HB   PRO 104          HB1       PRO 104   0.097  23.390  -4.158
  874   1HG   PRO 104          HG2       PRO 104   0.635  23.496  -1.249
  875   2HG   PRO 104          HG1       PRO 104  -0.859  23.103  -2.112
  876   1HD   PRO 104          HD2       PRO 104   0.938  21.244  -0.976
  877   2HD   PRO 104          HD1       PRO 104  -0.380  20.872  -2.107
  878    H    ARG 105           HN       ARG 105   4.110  21.149  -3.280
  879    HA   ARG 105           HA       ARG 105   5.925  21.585  -1.827
  880   1HB   ARG 105          HB2       ARG 105   6.059  23.445  -4.196
  881   2HB   ARG 105          HB1       ARG 105   7.387  23.286  -3.045
  882   1HG   ARG 105          HG2       ARG 105   7.830  21.737  -4.829
  883   2HG   ARG 105          HG1       ARG 105   7.297  20.785  -3.443
  884   1HD   ARG 105          HD2       ARG 105   6.137  19.990  -5.426
  885   2HD   ARG 105          HD1       ARG 105   4.981  20.805  -4.376
  886    HE   ARG 105           HE       ARG 105   5.319  22.795  -5.895
  887   1HH1  ARG 105          HH21      ARG 105   5.942  19.541  -6.918
  888   2HH1  ARG 105          HH22      ARG 105   5.654  19.872  -8.594
  889   1HH2  ARG 105          HH11      ARG 105   4.946  23.218  -8.104
  890   2HH2  ARG 105          HH12      ARG 105   5.091  21.936  -9.259
  891    H    GLU 106           HN       GLU 106   5.382  22.372   0.148
  892    HA   GLU 106           HA       GLU 106   4.429  25.047   0.574
  893   1HB   GLU 106          HB2       GLU 106   5.176  22.711   2.268
  894   2HB   GLU 106          HB1       GLU 106   5.190  24.303   3.029
  895   1HG   GLU 106          HG2       GLU 106   2.903  24.642   2.655
  896   2HG   GLU 106          HG1       GLU 106   2.844  23.456   1.351
  897    H    VAL 107           HN       VAL 107   7.536  23.429   0.610
  898    HA   VAL 107           HA       VAL 107   9.616  24.259   1.384
  899    HB   VAL 107           HB       VAL 107  10.088  26.209  -0.396
  900   1HG1  VAL 107          HG11      VAL 107  10.784  24.475  -1.917
  901   2HG1  VAL 107          HG12      VAL 107   9.593  23.345  -1.264
  902   3HG1  VAL 107          HG13      VAL 107  10.978  23.827  -0.287
  903   1HG2  VAL 107          HG21      VAL 107   8.564  26.321  -2.153
  904   2HG2  VAL 107          HG22      VAL 107   7.458  26.066  -0.806
  905   3HG2  VAL 107          HG23      VAL 107   7.919  24.713  -1.835
  906   1H    ALA 201          HT1       ALA 201  35.312  13.976 -14.892
  907   2H    ALA 201          HT2       ALA 201  34.554  15.316 -15.609
  908   3H    ALA 201          HT3       ALA 201  36.194  15.398 -15.180
  909    HA   ALA 201           HA       ALA 201  35.875  15.103 -17.578
  910   1HB   ALA 201          HB1       ALA 201  37.576  13.684 -15.805
  911   2HB   ALA 201          HB2       ALA 201  37.862  14.068 -17.501
  912   3HB   ALA 201          HB3       ALA 201  37.081  12.551 -17.063
  913    H    MET 202           HN       MET 202  35.093  12.093 -15.797
  914    HA   MET 202           HA       MET 202  33.451  11.248 -18.073
  915   1HB   MET 202          HB2       MET 202  35.305   9.845 -16.858
  916   2HB   MET 202          HB1       MET 202  34.000   9.484 -15.729
  917   1HG   MET 202          HG2       MET 202  32.892   8.198 -17.242
  918   2HG   MET 202          HG1       MET 202  33.231   9.316 -18.562
  919   1HE   MET 202          HE1       MET 202  33.769   6.023 -17.118
  920   2HE   MET 202          HE2       MET 202  34.777   5.325 -18.381
  921   3HE   MET 202          HE3       MET 202  33.267   6.120 -18.814
  922    H    ALA 203           HN       ALA 203  32.679  13.277 -16.032
  923    HA   ALA 203           HA       ALA 203  30.959  12.851 -14.101
  924   1HB   ALA 203          HB1       ALA 203  31.047  14.707 -16.269
  925   2HB   ALA 203          HB2       ALA 203  30.331  14.926 -14.671
  926   3HB   ALA 203          HB3       ALA 203  29.363  14.261 -15.989
  927    H    ARG 204           HN       ARG 204  29.989  10.860 -13.844
  928    HA   ARG 204           HA       ARG 204  27.992  10.094 -15.885
  929   1HB   ARG 204          HB2       ARG 204  29.828   8.428 -15.429
  930   2HB   ARG 204          HB1       ARG 204  29.184   8.275 -13.796
  931   1HG   ARG 204          HG2       ARG 204  27.273   7.188 -14.495
  932   2HG   ARG 204          HG1       ARG 204  27.247   8.020 -16.051
  933   1HD   ARG 204          HD2       ARG 204  27.939   5.475 -15.918
  934   2HD   ARG 204          HD1       ARG 204  28.779   6.573 -17.010
  935    HE   ARG 204           HE       ARG 204  30.621   6.591 -15.510
  936   1HH1  ARG 204          HH21      ARG 204  27.963   4.636 -14.454
  937   2HH1  ARG 204          HH22      ARG 204  28.890   3.773 -13.265
  938   1HH2  ARG 204          HH11      ARG 204  31.818   5.515 -13.884
  939   2HH2  ARG 204          HH12      ARG 204  31.047   4.273 -12.947
  940    H    MET 205           HN       MET 205  26.581  11.681 -14.838
  941    HA   MET 205           HA       MET 205  25.663  11.156 -12.152
  942   1HB   MET 205          HB2       MET 205  25.681  13.433 -13.241
  943   2HB   MET 205          HB1       MET 205  24.353  12.878 -14.264
  944   1HG   MET 205          HG2       MET 205  22.945  12.485 -12.353
  945   2HG   MET 205          HG1       MET 205  24.287  12.759 -11.243
  946   1HE   MET 205          HE1       MET 205  21.597  15.419 -10.805
  947   2HE   MET 205          HE2       MET 205  23.041  15.143  -9.833
  948   3HE   MET 205          HE3       MET 205  22.142  13.768 -10.472
  949    H    SER 206           HN       SER 206  23.684  11.426 -15.091
  950    HA   SER 206           HA       SER 206  21.796  10.250 -15.723
  951   1HB   SER 206          HB2       SER 206  22.855   7.647 -14.950
  952   2HB   SER 206          HB1       SER 206  22.487   8.277 -16.553
  953    HG   SER 206           HG       SER 206  24.662   8.059 -16.518
  954    HA   PRO 207           HA       PRO 207  19.076   9.107 -12.500
  955   1HB   PRO 207          HB2       PRO 207  17.957   6.743 -13.432
  956   2HB   PRO 207          HB1       PRO 207  17.478   8.367 -13.958
  957   1HG   PRO 207          HG2       PRO 207  19.247   6.393 -15.295
  958   2HG   PRO 207          HG1       PRO 207  18.088   7.535 -15.996
  959   1HD   PRO 207          HD2       PRO 207  20.774   7.976 -16.036
  960   2HD   PRO 207          HD1       PRO 207  19.590   9.300 -15.949
  961    H    ALA 208           HN       ALA 208  21.703   7.146 -13.298
  962    HA   ALA 208           HA       ALA 208  21.472   4.867 -11.747
  963   1HB   ALA 208          HB1       ALA 208  23.767   4.658 -11.937
  964   2HB   ALA 208          HB2       ALA 208  24.052   6.379 -11.675
  965   3HB   ALA 208          HB3       ALA 208  23.452   5.811 -13.234
  966    H    ASP 209           HN       ASP 209  22.317   8.162 -10.770
  967    HA   ASP 209           HA       ASP 209  23.043   7.726  -8.120
  968   1HB   ASP 209          HB2       ASP 209  21.538  10.025  -9.385
  969   2HB   ASP 209          HB1       ASP 209  22.129  10.047  -7.725
  970    H    LYS 210           HN       LYS 210  19.825   8.192  -9.541
  971    HA   LYS 210           HA       LYS 210  18.333   8.017  -7.137
  972   1HB   LYS 210          HB2       LYS 210  17.594   8.739  -9.535
  973   2HB   LYS 210          HB1       LYS 210  17.316   7.015  -9.787
  974   1HG   LYS 210          HG2       LYS 210  16.236   8.148  -7.264
  975   2HG   LYS 210          HG1       LYS 210  15.438   8.663  -8.751
  976   1HD   LYS 210          HD2       LYS 210  15.328   6.201  -9.397
  977   2HD   LYS 210          HD1       LYS 210  15.823   5.839  -7.743
  978   1HE   LYS 210          HE2       LYS 210  13.718   6.136  -7.018
  979   2HE   LYS 210          HE1       LYS 210  13.696   7.770  -7.680
  980   1HZ   LYS 210          HZ1       LYS 210  12.800   7.054  -9.657
  981   2HZ   LYS 210          HZ2       LYS 210  12.032   6.016  -8.554
  982   3HZ   LYS 210          HZ3       LYS 210  13.350   5.461  -9.470
  983    H    ARG 211           HN       ARG 211  19.661   5.643  -9.350
  984    HA   ARG 211           HA       ARG 211  18.315   3.358  -8.349
  985   1HB   ARG 211          HB2       ARG 211  20.920   3.773  -9.812
  986   2HB   ARG 211          HB1       ARG 211  20.407   2.171  -9.280
  987   1HG   ARG 211          HG2       ARG 211  18.901   4.038 -11.131
  988   2HG   ARG 211          HG1       ARG 211  19.634   2.488 -11.553
  989   1HD   ARG 211          HD2       ARG 211  18.050   1.744  -9.467
  990   2HD   ARG 211          HD1       ARG 211  17.088   3.054 -10.146
  991    HE   ARG 211           HE       ARG 211  18.029   1.218 -12.156
  992   1HH1  ARG 211          HH21      ARG 211  15.647   1.822  -9.715
  993   2HH1  ARG 211          HH22      ARG 211  14.441   0.818 -10.448
  994   1HH2  ARG 211          HH11      ARG 211  16.439  -0.105 -13.122
  995   2HH2  ARG 211          HH12      ARG 211  14.887  -0.269 -12.369
  996    H    LYS 212           HN       LYS 212  21.486   4.797  -7.643
  997    HA   LYS 212           HA       LYS 212  22.293   3.056  -5.600
  998   1HB   LYS 212          HB2       LYS 212  22.821   5.991  -6.077
  999   2HB   LYS 212          HB1       LYS 212  23.568   5.092  -4.755
 1000   1HG   LYS 212          HG2       LYS 212  24.545   3.509  -6.352
 1001   2HG   LYS 212          HG1       LYS 212  23.761   4.357  -7.689
 1002   1HD   LYS 212          HD2       LYS 212  25.065   6.312  -7.349
 1003   2HD   LYS 212          HD1       LYS 212  25.619   5.757  -5.770
 1004   1HE   LYS 212          HE2       LYS 212  26.228   4.158  -8.246
 1005   2HE   LYS 212          HE1       LYS 212  27.238   5.533  -7.797
 1006   1HZ   LYS 212          HZ1       LYS 212  27.903   3.264  -6.904
 1007   2HZ   LYS 212          HZ2       LYS 212  26.569   3.397  -5.863
 1008   3HZ   LYS 212          HZ3       LYS 212  27.825   4.535  -5.785
 1009    H    LEU 213           HN       LEU 213  20.229   5.878  -5.679
 1010    HA   LEU 213           HA       LEU 213  19.773   6.211  -2.920
 1011   1HB   LEU 213          HB2       LEU 213  18.440   7.036  -5.452
 1012   2HB   LEU 213          HB1       LEU 213  17.480   7.129  -3.979
 1013    HG   LEU 213           HG       LEU 213  20.267   8.285  -4.169
 1014   1HD1  LEU 213          HD11      LEU 213  19.083  10.492  -4.443
 1015   2HD1  LEU 213          HD12      LEU 213  17.593   9.595  -4.737
 1016   3HD1  LEU 213          HD13      LEU 213  18.954   9.433  -5.848
 1017   1HD2  LEU 213          HD21      LEU 213  18.065   8.197  -2.178
 1018   2HD2  LEU 213          HD22      LEU 213  18.886   9.749  -2.345
 1019   3HD2  LEU 213          HD23      LEU 213  19.807   8.305  -1.924
 1020    H    LEU 214           HN       LEU 214  18.337   4.130  -5.362
 1021    HA   LEU 214           HA       LEU 214  16.228   3.146  -3.682
 1022   1HB   LEU 214          HB2       LEU 214  17.409   2.104  -6.256
 1023   2HB   LEU 214          HB1       LEU 214  15.966   1.460  -5.474
 1024    HG   LEU 214           HG       LEU 214  16.321   3.958  -6.986
 1025   1HD1  LEU 214          HD11      LEU 214  14.101   2.040  -6.313
 1026   2HD1  LEU 214          HD12      LEU 214  14.829   2.355  -7.889
 1027   3HD1  LEU 214          HD13      LEU 214  13.775   3.559  -7.147
 1028   1HD2  LEU 214          HD21      LEU 214  14.529   3.920  -4.560
 1029   2HD2  LEU 214          HD22      LEU 214  14.757   5.251  -5.691
 1030   3HD2  LEU 214          HD23      LEU 214  16.077   4.765  -4.628
 1031    H    ASP 215           HN       ASP 215  19.457   2.082  -4.652
 1032    HA   ASP 215           HA       ASP 215  19.501  -0.478  -3.564
 1033   1HB   ASP 215          HB2       ASP 215  21.681   1.608  -3.769
 1034   2HB   ASP 215          HB1       ASP 215  21.976  -0.049  -3.249
 1035    H    GLU 216           HN       GLU 216  20.122   2.658  -2.026
 1036    HA   GLU 216           HA       GLU 216  20.778   1.653   0.540
 1037   1HB   GLU 216          HB2       GLU 216  19.593   4.308  -0.305
 1038   2HB   GLU 216          HB1       GLU 216  20.185   3.953   1.318
 1039   1HG   GLU 216          HG2       GLU 216  21.712   4.352  -1.211
 1040   2HG   GLU 216          HG1       GLU 216  22.121   4.831   0.436
 1041    H    LEU 217           HN       LEU 217  17.735   2.787  -0.901
 1042    HA   LEU 217           HA       LEU 217  16.052   2.437   1.307
 1043   1HB   LEU 217          HB2       LEU 217  15.491   1.979  -1.637
 1044   2HB   LEU 217          HB1       LEU 217  14.252   2.076  -0.386
 1045    HG   LEU 217           HG       LEU 217  16.263   4.291  -0.689
 1046   1HD1  LEU 217          HD11      LEU 217  14.129   3.521  -2.567
 1047   2HD1  LEU 217          HD12      LEU 217  15.491   4.615  -2.803
 1048   3HD1  LEU 217          HD13      LEU 217  14.023   5.192  -2.013
 1049   1HD2  LEU 217          HD21      LEU 217  14.155   5.548   0.109
 1050   2HD2  LEU 217          HD22      LEU 217  14.926   4.467   1.270
 1051   3HD2  LEU 217          HD23      LEU 217  13.471   3.952   0.420
 1052    H    ARG 218           HN       ARG 218  17.360   0.195  -1.042
 1053    HA   ARG 218           HA       ARG 218  15.842  -2.090  -0.423
 1054   1HB   ARG 218          HB2       ARG 218  17.303  -1.889  -2.408
 1055   2HB   ARG 218          HB1       ARG 218  18.719  -1.931  -1.354
 1056   1HG   ARG 218          HG2       ARG 218  18.330  -4.166  -0.716
 1057   2HG   ARG 218          HG1       ARG 218  16.648  -4.119  -1.246
 1058   1HD   ARG 218          HD2       ARG 218  17.201  -4.712  -3.345
 1059   2HD   ARG 218          HD1       ARG 218  18.479  -3.502  -3.419
 1060    HE   ARG 218           HE       ARG 218  19.367  -5.603  -1.783
 1061   1HH1  ARG 218          HH21      ARG 218  18.431  -5.009  -5.062
 1062   2HH1  ARG 218          HH22      ARG 218  19.576  -6.120  -5.734
 1063   1HH2  ARG 218          HH11      ARG 218  20.869  -7.065  -2.662
 1064   2HH2  ARG 218          HH12      ARG 218  20.960  -7.277  -4.378
 1065    H    SER 219           HN       SER 219  18.994  -0.984   0.809
 1066    HA   SER 219           HA       SER 219  19.267  -3.126   2.682
 1067   1HB   SER 219          HB2       SER 219  21.036  -1.404   1.694
 1068   2HB   SER 219          HB1       SER 219  20.598  -0.486   3.131
 1069    HG   SER 219           HG       SER 219  22.225  -1.834   3.739
 1070    H    ILE 220           HN       ILE 220  18.151   0.243   2.900
 1071    HA   ILE 220           HA       ILE 220  17.676   0.288   5.683
 1072    HB   ILE 220           HB       ILE 220  16.270   1.794   3.462
 1073   1HG1  ILE 220          HG12      ILE 220  18.506   2.704   5.294
 1074   2HG1  ILE 220          HG11      ILE 220  18.793   2.043   3.683
 1075   1HG2  ILE 220          HG21      ILE 220  16.141   3.404   5.628
 1076   2HG2  ILE 220          HG22      ILE 220  16.072   1.834   6.430
 1077   3HG2  ILE 220          HG23      ILE 220  14.865   2.258   5.215
 1078   1HD1  ILE 220          HD11      ILE 220  18.239   4.712   4.292
 1079   2HD1  ILE 220          HD12      ILE 220  16.720   4.088   3.650
 1080   3HD1  ILE 220          HD13      ILE 220  18.194   3.977   2.689
 1081    H    TYR 221           HN       TYR 221  15.495  -0.360   2.946
 1082    HA   TYR 221           HA       TYR 221  13.153  -0.968   4.330
 1083   1HB   TYR 221          HB2       TYR 221  13.453  -0.807   1.827
 1084   2HB   TYR 221          HB1       TYR 221  14.193  -2.401   1.871
 1085    HD1  TYR 221           HD1      TYR 221  11.721  -2.037   4.416
 1086    HD2  TYR 221           HD2      TYR 221  12.220  -2.872   0.232
 1087    HE1  TYR 221           HE1      TYR 221   9.477  -3.093   4.357
 1088    HE2  TYR 221           HE2      TYR 221   9.978  -3.927   0.174
 1089    HH   TYR 221           HH       TYR 221   8.396  -5.015   2.670
 1090    H    ARG 222           HN       ARG 222  15.798  -3.063   3.319
 1091    HA   ARG 222           HA       ARG 222  14.964  -5.514   4.281
 1092   1HB   ARG 222          HB2       ARG 222  16.924  -5.534   3.011
 1093   2HB   ARG 222          HB1       ARG 222  17.663  -4.239   3.954
 1094   1HG   ARG 222          HG2       ARG 222  18.600  -5.726   5.350
 1095   2HG   ARG 222          HG1       ARG 222  17.029  -6.461   5.675
 1096   1HD   ARG 222          HD2       ARG 222  17.220  -7.843   3.676
 1097   2HD   ARG 222          HD1       ARG 222  18.722  -7.038   3.230
 1098    HE   ARG 222           HE       ARG 222  18.592  -8.487   5.793
 1099   1HH1  ARG 222          HH21      ARG 222  19.757  -8.121   2.554
 1100   2HH1  ARG 222          HH22      ARG 222  21.037  -9.273   2.737
 1101   1HH2  ARG 222          HH11      ARG 222  20.272 -10.001   6.038
 1102   2HH2  ARG 222          HH12      ARG 222  21.329 -10.336   4.708
 1103    H    THR 223           HN       THR 223  16.416  -2.835   6.026
 1104    HA   THR 223           HA       THR 223  16.857  -4.229   8.484
 1105    HB   THR 223           HB       THR 223  16.528  -1.261   7.946
 1106    HG1  THR 223           HG1      THR 223  18.895  -2.762   8.308
 1107   1HG2  THR 223          HG21      THR 223  17.474  -2.844  10.335
 1108   2HG2  THR 223          HG22      THR 223  16.259  -1.566  10.279
 1109   3HG2  THR 223          HG23      THR 223  17.965  -1.169  10.076
 1110    H    ILE 224           HN       ILE 224  14.185  -2.520   7.052
 1111    HA   ILE 224           HA       ILE 224  12.581  -2.182   9.364
 1112    HB   ILE 224           HB       ILE 224  11.466  -2.689   6.611
 1113   1HG1  ILE 224          HG12      ILE 224  13.452  -1.169   6.442
 1114   2HG1  ILE 224          HG11      ILE 224  11.943  -0.378   6.024
 1115   1HG2  ILE 224          HG21      ILE 224   9.597  -2.010   7.667
 1116   2HG2  ILE 224          HG22      ILE 224  10.353  -0.435   7.909
 1117   3HG2  ILE 224          HG23      ILE 224  10.507  -1.685   9.143
 1118   1HD1  ILE 224          HD11      ILE 224  13.736   0.087   8.333
 1119   2HD1  ILE 224          HD12      ILE 224  12.011   0.096   8.701
 1120   3HD1  ILE 224          HD13      ILE 224  12.662   1.210   7.498
 1121    H    VAL 225           HN       VAL 225  12.395  -4.588   6.753
 1122    HA   VAL 225           HA       VAL 225  10.526  -6.300   7.963
 1123    HB   VAL 225           HB       VAL 225  12.791  -6.982   6.066
 1124   1HG1  VAL 225          HG11      VAL 225  10.210  -8.486   6.570
 1125   2HG1  VAL 225          HG12      VAL 225  11.743  -8.915   7.331
 1126   3HG1  VAL 225          HG13      VAL 225  11.574  -9.000   5.577
 1127   1HG2  VAL 225          HG21      VAL 225  10.902  -6.872   4.382
 1128   2HG2  VAL 225          HG22      VAL 225  11.341  -5.316   5.088
 1129   3HG2  VAL 225          HG23      VAL 225   9.901  -6.166   5.650
 1130    H    LEU 226           HN       LEU 226  13.921  -5.834   8.451
 1131    HA   LEU 226           HA       LEU 226  14.384  -8.264   9.924
 1132   1HB   LEU 226          HB2       LEU 226  15.951  -5.778   9.316
 1133   2HB   LEU 226          HB1       LEU 226  16.531  -6.906  10.536
 1134    HG   LEU 226           HG       LEU 226  15.803  -7.677   7.697
 1135   1HD1  LEU 226          HD11      LEU 226  18.024  -6.243   8.516
 1136   2HD1  LEU 226          HD12      LEU 226  17.934  -7.239   7.063
 1137   3HD1  LEU 226          HD13      LEU 226  18.600  -7.910   8.551
 1138   1HD2  LEU 226          HD21      LEU 226  16.812  -9.140  10.120
 1139   2HD2  LEU 226          HD22      LEU 226  17.296  -9.695   8.517
 1140   3HD2  LEU 226          HD23      LEU 226  15.587  -9.635   8.951
 1141    H    GLU 227           HN       GLU 227  13.858  -4.843  10.745
 1142    HA   GLU 227           HA       GLU 227  13.824  -5.552  13.599
 1143   1HB   GLU 227          HB2       GLU 227  14.033  -2.898  12.166
 1144   2HB   GLU 227          HB1       GLU 227  13.948  -3.081  13.913
 1145   1HG   GLU 227          HG2       GLU 227  15.987  -4.453  13.891
 1146   2HG   GLU 227          HG1       GLU 227  16.063  -4.320  12.135
 1147    H    TYR 228           HN       TYR 228  11.678  -5.178  11.067
 1148    HA   TYR 228           HA       TYR 228   9.617  -3.588  11.998
 1149   1HB   TYR 228          HB2       TYR 228   9.700  -4.809   9.791
 1150   2HB   TYR 228          HB1       TYR 228   9.194  -6.262  10.655
 1151    HD1  TYR 228           HD1      TYR 228   6.929  -6.702  10.305
 1152    HD2  TYR 228           HD2      TYR 228   8.219  -2.642  10.864
 1153    HE1  TYR 228           HE1      TYR 228   4.571  -5.939  10.207
 1154    HE2  TYR 228           HE2      TYR 228   5.861  -1.880  10.766
 1155    HH   TYR 228           HH       TYR 228   3.730  -2.602   9.952
 1156    H    PHE 229           HN       PHE 229  10.141  -7.046  12.694
 1157    HA   PHE 229           HA       PHE 229   8.055  -6.956  14.744
 1158   1HB   PHE 229          HB2       PHE 229   9.638  -9.173  13.451
 1159   2HB   PHE 229          HB1       PHE 229   8.649  -9.445  14.882
 1160    HD1  PHE 229           HD1      PHE 229   8.639  -8.749  11.293
 1161    HD2  PHE 229           HD2      PHE 229   6.189  -9.105  14.804
 1162    HE1  PHE 229           HE1      PHE 229   6.616  -8.897   9.866
 1163    HE2  PHE 229           HE2      PHE 229   4.165  -9.252  13.376
 1164    HZ   PHE 229           HZ       PHE 229   4.379  -9.148  10.907
 1165    H    ASN 230           HN       ASN 230  10.837  -5.690  14.872
 1166    HA   ASN 230           HA       ASN 230  12.417  -7.088  16.736
 1167   1HB   ASN 230          HB2       ASN 230  13.677  -5.125  16.907
 1168   2HB   ASN 230          HB1       ASN 230  12.972  -5.002  15.300
 1169   1HD2  ASN 230          HD21      ASN 230  10.526  -3.964  15.551
 1170   2HD2  ASN 230          HD22      ASN 230  10.514  -2.523  16.447
 1171    H    THR 231           HN       THR 231  12.889  -5.699  18.934
 1172    HA   THR 231           HA       THR 231  10.296  -5.703  20.353
 1173    HB   THR 231           HB       THR 231  11.571  -6.281  22.368
 1174    HG1  THR 231           HG1      THR 231  13.737  -6.506  22.289
 1175   1HG2  THR 231          HG21      THR 231  12.691  -8.454  21.148
 1176   2HG2  THR 231          HG22      THR 231  11.557  -7.913  19.909
 1177   3HG2  THR 231          HG23      THR 231  10.974  -8.306  21.527
 1178    H    ASP 232           HN       ASP 232  13.393  -4.002  20.036
 1179    HA   ASP 232           HA       ASP 232  12.081  -1.602  21.125
 1180   1HB   ASP 232          HB2       ASP 232  14.716  -2.757  22.042
 1181   2HB   ASP 232          HB1       ASP 232  14.219  -1.098  22.371
 1182    H    ALA 233           HN       ALA 233  13.695  -2.981  18.624
 1183    HA   ALA 233           HA       ALA 233  15.672  -1.151  17.876
 1184   1HB   ALA 233          HB1       ALA 233  13.796  -2.534  15.954
 1185   2HB   ALA 233          HB2       ALA 233  15.129  -3.360  16.761
 1186   3HB   ALA 233          HB3       ALA 233  15.458  -2.022  15.661
 1187    H    LYS 234           HN       LYS 234  15.663   0.811  16.876
 1188    HA   LYS 234           HA       LYS 234  13.170   2.287  16.910
 1189   1HB   LYS 234          HB2       LYS 234  15.031   3.978  15.811
 1190   2HB   LYS 234          HB1       LYS 234  14.701   3.822  17.537
 1191   1HG   LYS 234          HG2       LYS 234  16.966   3.408  17.576
 1192   2HG   LYS 234          HG1       LYS 234  16.396   1.765  17.274
 1193   1HD   LYS 234          HD2       LYS 234  17.962   1.986  15.573
 1194   2HD   LYS 234          HD1       LYS 234  16.504   2.536  14.745
 1195   1HE   LYS 234          HE2       LYS 234  17.516   4.509  14.357
 1196   2HE   LYS 234          HE1       LYS 234  17.564   4.789  16.098
 1197   1HZ   LYS 234          HZ1       LYS 234  19.671   3.766  16.254
 1198   2HZ   LYS 234          HZ2       LYS 234  19.771   4.834  14.939
 1199   3HZ   LYS 234          HZ3       LYS 234  19.594   3.167  14.670
 1200    H    VAL 235           HN       VAL 235  12.270   0.792  15.215
 1201    HA   VAL 235           HA       VAL 235  13.189   0.850  12.530
 1202    HB   VAL 235           HB       VAL 235  10.292   0.542  13.275
 1203   1HG1  VAL 235          HG11      VAL 235  12.156  -0.364  11.128
 1204   2HG1  VAL 235          HG12      VAL 235  10.478   0.167  11.009
 1205   3HG1  VAL 235          HG13      VAL 235  10.850  -1.457  11.588
 1206   1HG2  VAL 235          HG21      VAL 235  10.965  -1.919  13.690
 1207   2HG2  VAL 235          HG22      VAL 235  11.286  -0.757  14.979
 1208   3HG2  VAL 235          HG23      VAL 235  12.597  -1.291  13.927
 1209    H    ASN 236           HN       ASN 236  11.046   2.912  14.408
 1210    HA   ASN 236           HA       ASN 236   9.815   4.377  12.398
 1211   1HB   ASN 236          HB2       ASN 236   9.262   4.627  14.773
 1212   2HB   ASN 236          HB1       ASN 236  10.832   5.370  15.068
 1213   1HD2  ASN 236          HD21      ASN 236   9.236   7.203  15.818
 1214   2HD2  ASN 236          HD22      ASN 236   8.760   8.313  14.626
 1215    H    GLU 237           HN       GLU 237  12.976   4.960  13.952
 1216    HA   GLU 237           HA       GLU 237  13.643   7.238  12.388
 1217   1HB   GLU 237          HB2       GLU 237  15.411   5.212  13.791
 1218   2HB   GLU 237          HB1       GLU 237  15.986   6.725  13.089
 1219   1HG   GLU 237          HG2       GLU 237  14.045   6.375  15.383
 1220   2HG   GLU 237          HG1       GLU 237  15.621   7.163  15.416
 1221    H    ARG 238           HN       ARG 238  13.943   3.794  11.991
 1222    HA   ARG 238           HA       ARG 238  15.596   3.802   9.655
 1223   1HB   ARG 238          HB2       ARG 238  13.848   1.815  11.077
 1224   2HB   ARG 238          HB1       ARG 238  14.454   1.440   9.466
 1225   1HG   ARG 238          HG2       ARG 238  16.154   2.232  11.847
 1226   2HG   ARG 238          HG1       ARG 238  15.996   0.599  11.195
 1227   1HD   ARG 238          HD2       ARG 238  17.815   1.177   9.968
 1228   2HD   ARG 238          HD1       ARG 238  16.641   1.979   8.943
 1229    HE   ARG 238           HE       ARG 238  17.200   3.921  10.696
 1230   1HH1  ARG 238          HH21      ARG 238  19.228   1.669   9.014
 1231   2HH1  ARG 238          HH22      ARG 238  20.596   2.730   8.961
 1232   1HH2  ARG 238          HH11      ARG 238  19.001   5.314  10.630
 1233   2HH2  ARG 238          HH12      ARG 238  20.468   4.786   9.875
 1234    H    ILE 239           HN       ILE 239  12.120   3.393  10.244
 1235    HA   ILE 239           HA       ILE 239  11.313   3.250   7.544
 1236    HB   ILE 239           HB       ILE 239   9.815   4.162  10.012
 1237   1HG1  ILE 239          HG12      ILE 239   9.765   1.516   8.530
 1238   2HG1  ILE 239          HG11      ILE 239  10.725   1.810   9.980
 1239   1HG2  ILE 239          HG21      ILE 239   7.953   4.438   8.748
 1240   2HG2  ILE 239          HG22      ILE 239   8.319   3.035   7.745
 1241   3HG2  ILE 239          HG23      ILE 239   9.074   4.588   7.395
 1242   1HD1  ILE 239          HD11      ILE 239   8.694   2.355  11.243
 1243   2HD1  ILE 239          HD12      ILE 239   8.546   0.753  10.521
 1244   3HD1  ILE 239          HD13      ILE 239   7.715   2.128   9.794
 1245    H    ASP 240           HN       ASP 240  12.013   5.925   9.691
 1246    HA   ASP 240           HA       ASP 240  10.765   7.992   8.223
 1247   1HB   ASP 240          HB2       ASP 240  11.617   8.193  10.567
 1248   2HB   ASP 240          HB1       ASP 240  13.257   8.213   9.921
 1249    H    GLU 241           HN       GLU 241  14.101   6.712   8.132
 1250    HA   GLU 241           HA       GLU 241  15.101   8.506   6.192
 1251   1HB   GLU 241          HB2       GLU 241  16.346   6.751   7.632
 1252   2HB   GLU 241          HB1       GLU 241  15.941   5.623   6.344
 1253   1HG   GLU 241          HG2       GLU 241  17.907   6.380   5.450
 1254   2HG   GLU 241          HG1       GLU 241  16.866   7.669   4.851
 1255    H    PHE 242           HN       PHE 242  13.362   5.499   5.973
 1256    HA   PHE 242           HA       PHE 242  13.576   5.136   3.149
 1257   1HB   PHE 242          HB2       PHE 242  12.994   3.353   4.835
 1258   2HB   PHE 242          HB1       PHE 242  11.409   4.103   4.988
 1259    HD1  PHE 242           HD1      PHE 242   9.804   4.069   3.148
 1260    HD2  PHE 242           HD2      PHE 242  13.651   2.195   2.780
 1261    HE1  PHE 242           HE1      PHE 242   9.024   2.867   1.124
 1262    HE2  PHE 242           HE2      PHE 242  12.871   0.992   0.756
 1263    HZ   PHE 242           HZ       PHE 242  10.557   1.329  -0.072
 1264    H    VAL 243           HN       VAL 243  10.998   6.303   5.269
 1265    HA   VAL 243           HA       VAL 243   9.184   7.025   3.225
 1266    HB   VAL 243           HB       VAL 243   9.521   7.867   6.099
 1267   1HG1  VAL 243          HG11      VAL 243   7.093   8.599   4.503
 1268   2HG1  VAL 243          HG12      VAL 243   8.513   9.639   4.412
 1269   3HG1  VAL 243          HG13      VAL 243   7.734   9.345   5.967
 1270   1HG2  VAL 243          HG21      VAL 243   7.970   5.891   4.546
 1271   2HG2  VAL 243          HG22      VAL 243   7.047   6.754   5.775
 1272   3HG2  VAL 243          HG23      VAL 243   8.487   5.845   6.229
 1273    H    SER 244           HN       SER 244  11.911   8.641   4.699
 1274    HA   SER 244           HA       SER 244  11.267  11.234   3.574
 1275   1HB   SER 244          HB2       SER 244  14.045  10.947   4.297
 1276   2HB   SER 244          HB1       SER 244  12.796  11.963   5.016
 1277    HG   SER 244           HG       SER 244  12.565  10.542   6.545
 1278    H    LYS 245           HN       LYS 245  13.662   8.693   2.838
 1279    HA   LYS 245           HA       LYS 245  14.848  10.022   0.649
 1280   1HB   LYS 245          HB2       LYS 245  14.617   7.101   1.373
 1281   2HB   LYS 245          HB1       LYS 245  15.493   7.656  -0.054
 1282   1HG   LYS 245          HG2       LYS 245  16.670   9.287   1.628
 1283   2HG   LYS 245          HG1       LYS 245  16.113   8.140   2.847
 1284   1HD   LYS 245          HD2       LYS 245  18.052   7.706   0.592
 1285   2HD   LYS 245          HD1       LYS 245  18.211   7.269   2.293
 1286   1HE   LYS 245          HE2       LYS 245  16.322   5.625   1.950
 1287   2HE   LYS 245          HE1       LYS 245  16.439   5.952   0.218
 1288   1HZ   LYS 245          HZ1       LYS 245  17.995   4.215   1.754
 1289   2HZ   LYS 245          HZ2       LYS 245  19.011   5.467   1.220
 1290   3HZ   LYS 245          HZ3       LYS 245  18.126   4.549   0.097
 1291    H    ALA 246           HN       ALA 246  12.127   7.745   0.837
 1292    HA   ALA 246           HA       ALA 246  11.650   7.513  -1.927
 1293   1HB   ALA 246          HB1       ALA 246  10.458   6.561   0.422
 1294   2HB   ALA 246          HB2       ALA 246   9.996   6.166  -1.234
 1295   3HB   ALA 246          HB3       ALA 246   9.196   7.491  -0.387
 1296    H    PHE 247           HN       PHE 247  10.369   9.762   0.501
 1297    HA   PHE 247           HA       PHE 247   8.765  11.236  -1.368
 1298   1HB   PHE 247          HB2       PHE 247   8.051  11.363   0.883
 1299   2HB   PHE 247          HB1       PHE 247   9.677  11.720   1.466
 1300    HD1  PHE 247           HD1      PHE 247   7.368  13.117  -1.149
 1301    HD2  PHE 247           HD2      PHE 247   9.977  13.913   2.168
 1302    HE1  PHE 247           HE1      PHE 247   6.922  15.545  -1.383
 1303    HE2  PHE 247           HE2      PHE 247   9.531  16.342   1.936
 1304    HZ   PHE 247           HZ       PHE 247   8.004  17.159   0.160
 1305    H    PHE 248           HN       PHE 248  11.994  11.522  -0.015
 1306    HA   PHE 248           HA       PHE 248  12.595  14.116  -1.006
 1307   1HB   PHE 248          HB2       PHE 248  13.813  12.656   0.784
 1308   2HB   PHE 248          HB1       PHE 248  14.669  11.980  -0.601
 1309    HD1  PHE 248           HD1      PHE 248  16.067  13.428  -2.048
 1310    HD2  PHE 248           HD2      PHE 248  14.189  14.914   1.518
 1311    HE1  PHE 248           HE1      PHE 248  17.558  15.409  -2.092
 1312    HE2  PHE 248           HE2      PHE 248  15.680  16.899   1.474
 1313    HZ   PHE 248           HZ       PHE 248  17.365  17.146  -0.331
 1314    H    ALA 249           HN       ALA 249  13.346  10.852  -2.201
 1315    HA   ALA 249           HA       ALA 249  14.495  11.865  -4.655
 1316   1HB   ALA 249          HB1       ALA 249  15.289   9.777  -3.517
 1317   2HB   ALA 249          HB2       ALA 249  14.856   9.541  -5.210
 1318   3HB   ALA 249          HB3       ALA 249  13.751   9.019  -3.938
 1319    H    ASP 250           HN       ASP 250  11.692  12.602  -4.176
 1320    HA   ASP 250           HA       ASP 250   9.542  12.181  -5.099
 1321   1HB   ASP 250          HB2       ASP 250  10.799  13.903  -6.453
 1322   2HB   ASP 250          HB1       ASP 250  11.263  12.608  -7.555
 1323    H    ILE 251           HN       ILE 251   9.987   9.801  -4.434
 1324    HA   ILE 251           HA       ILE 251  10.357   8.012  -6.710
 1325    HB   ILE 251           HB       ILE 251   9.893   7.316  -3.807
 1326   1HG1  ILE 251          HG12      ILE 251  12.236   8.419  -5.201
 1327   2HG1  ILE 251          HG11      ILE 251  11.923   8.282  -3.471
 1328   1HG2  ILE 251          HG21      ILE 251   9.570   5.554  -5.594
 1329   2HG2  ILE 251          HG22      ILE 251  10.839   5.186  -4.425
 1330   3HG2  ILE 251          HG23      ILE 251  11.264   5.783  -6.029
 1331   1HD1  ILE 251          HD11      ILE 251  13.682   6.773  -3.722
 1332   2HD1  ILE 251          HD12      ILE 251  13.156   6.287  -5.333
 1333   3HD1  ILE 251          HD13      ILE 251  12.287   5.708  -3.914
 1334    H    SER 252           HN       SER 252   8.813   6.453  -7.297
 1335    HA   SER 252           HA       SER 252   6.074   7.244  -6.619
 1336   1HB   SER 252          HB2       SER 252   6.756   7.072  -9.036
 1337   2HB   SER 252          HB1       SER 252   6.999   5.345  -8.792
 1338    HG   SER 252           HG       SER 252   4.625   6.862  -8.687
 1339    H    VAL 253           HN       VAL 253   4.518   5.633  -6.022
 1340    HA   VAL 253           HA       VAL 253   5.341   3.860  -4.048
 1341    HB   VAL 253           HB       VAL 253   2.835   3.693  -5.735
 1342   1HG1  VAL 253          HG11      VAL 253   2.168   2.797  -3.264
 1343   2HG1  VAL 253          HG12      VAL 253   3.846   2.258  -3.338
 1344   3HG1  VAL 253          HG13      VAL 253   2.695   1.728  -4.565
 1345   1HG2  VAL 253          HG21      VAL 253   1.826   5.148  -4.136
 1346   2HG2  VAL 253          HG22      VAL 253   3.376   5.898  -4.518
 1347   3HG2  VAL 253          HG23      VAL 253   3.183   4.986  -3.020
 1348    H    SER 254           HN       SER 254   4.812   3.278  -7.492
 1349    HA   SER 254           HA       SER 254   4.905   0.492  -7.519
 1350   1HB   SER 254          HB2       SER 254   5.699   0.744  -9.866
 1351   2HB   SER 254          HB1       SER 254   4.299   1.747  -9.494
 1352    HG   SER 254           HG       SER 254   5.476   3.435  -9.892
 1353    H    GLN 255           HN       GLN 255   7.555   2.831  -7.408
 1354    HA   GLN 255           HA       GLN 255   9.682   1.114  -7.985
 1355   1HB   GLN 255          HB2       GLN 255   9.475   3.584  -6.265
 1356   2HB   GLN 255          HB1       GLN 255  11.005   2.750  -6.532
 1357   1HG   GLN 255          HG2       GLN 255   9.197   3.922  -8.666
 1358   2HG   GLN 255          HG1       GLN 255  10.772   4.540  -8.174
 1359   1HE2  GLN 255          HE21      GLN 255  10.649   3.969 -10.826
 1360   2HE2  GLN 255          HE22      GLN 255  11.421   2.501 -11.189
 1361    H    VAL 256           HN       VAL 256   8.239   1.928  -4.828
 1362    HA   VAL 256           HA       VAL 256   9.926   0.274  -3.279
 1363    HB   VAL 256           HB       VAL 256   7.084   1.190  -2.775
 1364   1HG1  VAL 256          HG11      VAL 256   8.080   0.860  -0.327
 1365   2HG1  VAL 256          HG12      VAL 256   9.073  -0.342  -1.151
 1366   3HG1  VAL 256          HG13      VAL 256   7.315  -0.476  -1.188
 1367   1HG2  VAL 256          HG21      VAL 256   8.024   3.203  -2.395
 1368   2HG2  VAL 256          HG22      VAL 256   9.607   2.557  -2.829
 1369   3HG2  VAL 256          HG23      VAL 256   9.050   2.480  -1.157
 1370    H    LEU 257           HN       LEU 257   6.963  -0.327  -5.056
 1371    HA   LEU 257           HA       LEU 257   6.248  -2.837  -4.044
 1372   1HB   LEU 257          HB2       LEU 257   5.974  -1.765  -6.859
 1373   2HB   LEU 257          HB1       LEU 257   5.074  -3.115  -6.178
 1374    HG   LEU 257           HG       LEU 257   4.861  -0.197  -5.562
 1375   1HD1  LEU 257          HD11      LEU 257   2.651  -2.222  -5.448
 1376   2HD1  LEU 257          HD12      LEU 257   3.287  -1.741  -7.021
 1377   3HD1  LEU 257          HD13      LEU 257   2.590  -0.531  -5.944
 1378   1HD2  LEU 257          HD21      LEU 257   5.397  -1.120  -3.402
 1379   2HD2  LEU 257          HD22      LEU 257   4.298  -2.476  -3.653
 1380   3HD2  LEU 257          HD23      LEU 257   3.653  -0.846  -3.444
 1381    H    GLU 258           HN       GLU 258   8.450  -1.907  -6.598
 1382    HA   GLU 258           HA       GLU 258   9.099  -4.543  -7.483
 1383   1HB   GLU 258          HB2       GLU 258  10.523  -1.887  -7.807
 1384   2HB   GLU 258          HB1       GLU 258  11.006  -3.377  -8.614
 1385   1HG   GLU 258          HG2       GLU 258   8.889  -3.516  -9.773
 1386   2HG   GLU 258          HG1       GLU 258   8.243  -2.163  -8.846
 1387    H    ILE 259           HN       ILE 259  10.712  -2.173  -5.370
 1388    HA   ILE 259           HA       ILE 259  12.980  -3.709  -4.745
 1389    HB   ILE 259           HB       ILE 259  11.467  -1.728  -3.012
 1390   1HG1  ILE 259          HG12      ILE 259  13.884  -1.409  -4.823
 1391   2HG1  ILE 259          HG11      ILE 259  12.266  -0.791  -5.155
 1392   1HG2  ILE 259          HG21      ILE 259  13.862  -1.529  -2.013
 1393   2HG2  ILE 259          HG22      ILE 259  14.129  -3.114  -2.738
 1394   3HG2  ILE 259          HG23      ILE 259  12.866  -2.901  -1.525
 1395   1HD1  ILE 259          HD11      ILE 259  13.305   1.084  -4.223
 1396   2HD1  ILE 259          HD12      ILE 259  14.248   0.118  -3.087
 1397   3HD1  ILE 259          HD13      ILE 259  12.523   0.367  -2.813
 1398    H    HIS 260           HN       HIS 260   9.668  -3.758  -3.635
 1399    HA   HIS 260           HA       HIS 260  10.057  -5.499  -1.391
 1400   1HB   HIS 260          HB2       HIS 260   8.000  -4.159  -1.701
 1401   2HB   HIS 260          HB1       HIS 260   7.604  -5.106  -3.130
 1402    HD1  HIS 260           HD1      HIS 260   8.442  -5.800   0.535
 1403    HD2  HIS 260           HD2      HIS 260   6.024  -7.276  -2.523
 1404    HE1  HIS 260           HE1      HIS 260   7.097  -7.697   1.538
 1405    HE2  HIS 260           HE2      HIS 260   5.618  -8.608  -0.314
 1406    H    VAL 261           HN       VAL 261   8.862  -6.016  -4.672
 1407    HA   VAL 261           HA       VAL 261   8.617  -8.771  -4.739
 1408    HB   VAL 261           HB       VAL 261   9.777  -7.095  -6.973
 1409   1HG1  VAL 261          HG11      VAL 261   8.614  -8.671  -8.409
 1410   2HG1  VAL 261          HG12      VAL 261   7.917  -9.486  -7.008
 1411   3HG1  VAL 261          HG13      VAL 261   9.656  -9.563  -7.300
 1412   1HG2  VAL 261          HG21      VAL 261   7.102  -7.108  -7.433
 1413   2HG2  VAL 261          HG22      VAL 261   7.940  -5.799  -6.598
 1414   3HG2  VAL 261          HG23      VAL 261   7.118  -7.053  -5.669
 1415    H    GLU 262           HN       GLU 262  11.452  -6.805  -5.492
 1416    HA   GLU 262           HA       GLU 262  13.272  -8.893  -6.017
 1417   1HB   GLU 262          HB2       GLU 262  13.479  -6.423  -6.553
 1418   2HB   GLU 262          HB1       GLU 262  13.921  -6.181  -4.870
 1419   1HG   GLU 262          HG2       GLU 262  15.718  -7.934  -5.206
 1420   2HG   GLU 262          HG1       GLU 262  15.375  -7.848  -6.932
 1421    H    LEU 263           HN       LEU 263  12.553  -7.072  -3.097
 1422    HA   LEU 263           HA       LEU 263  14.506  -8.302  -1.434
 1423   1HB   LEU 263          HB2       LEU 263  13.260  -6.127  -0.978
 1424   2HB   LEU 263          HB1       LEU 263  11.876  -7.119  -0.517
 1425    HG   LEU 263           HG       LEU 263  13.456  -8.330   1.088
 1426   1HD1  LEU 263          HD11      LEU 263  15.430  -7.055  -0.229
 1427   2HD1  LEU 263          HD12      LEU 263  15.588  -7.551   1.456
 1428   3HD1  LEU 263          HD13      LEU 263  15.159  -5.885   1.063
 1429   1HD2  LEU 263          HD21      LEU 263  12.859  -6.868   2.784
 1430   2HD2  LEU 263          HD22      LEU 263  11.804  -6.276   1.500
 1431   3HD2  LEU 263          HD23      LEU 263  13.316  -5.440   1.856
 1432    H    MET 264           HN       MET 264  10.979  -8.780  -1.696
 1433    HA   MET 264           HA       MET 264  10.750 -10.978  -0.001
 1434   1HB   MET 264          HB2       MET 264   9.220 -10.412  -2.557
 1435   2HB   MET 264          HB1       MET 264   8.728 -11.552  -1.304
 1436   1HG   MET 264          HG2       MET 264   9.150  -8.578  -0.891
 1437   2HG   MET 264          HG1       MET 264   7.583  -9.372  -1.041
 1438   1HE   MET 264          HE1       MET 264   9.456  -7.640   1.238
 1439   2HE   MET 264          HE2       MET 264  10.772  -8.800   1.074
 1440   3HE   MET 264          HE3       MET 264   9.944  -8.631   2.620
 1441    H    ASP 265           HN       ASP 265  11.890 -10.683  -3.296
 1442    HA   ASP 265           HA       ASP 265  11.947 -13.480  -3.915
 1443   1HB   ASP 265          HB2       ASP 265  12.119 -11.492  -5.529
 1444   2HB   ASP 265          HB1       ASP 265  13.806 -11.381  -5.040
 1445    H    THR 266           HN       THR 266  14.308 -11.157  -2.731
 1446    HA   THR 266           HA       THR 266  16.535 -12.852  -2.518
 1447    HB   THR 266           HB       THR 266  15.767 -10.418  -0.887
 1448    HG1  THR 266           HG1      THR 266  17.698 -10.400  -2.879
 1449   1HG2  THR 266          HG21      THR 266  17.567 -11.942   0.082
 1450   2HG2  THR 266          HG22      THR 266  18.042 -10.269  -0.217
 1451   3HG2  THR 266          HG23      THR 266  18.533 -11.540  -1.338
 1452    H    PHE 267           HN       PHE 267  14.147 -11.914  -0.028
 1453    HA   PHE 267           HA       PHE 267  15.212 -13.509   2.025
 1454   1HB   PHE 267          HB2       PHE 267  12.505 -12.330   1.492
 1455   2HB   PHE 267          HB1       PHE 267  12.753 -13.415   2.861
 1456    HD1  PHE 267           HD1      PHE 267  13.475 -10.122   1.448
 1457    HD2  PHE 267           HD2      PHE 267  14.349 -12.833   4.660
 1458    HE1  PHE 267           HE1      PHE 267  14.489  -8.263   2.740
 1459    HE2  PHE 267           HE2      PHE 267  15.363 -10.976   5.954
 1460    HZ   PHE 267           HZ       PHE 267  15.432  -8.690   4.994
 1461    H    SER 268           HN       SER 268  13.108 -14.263  -0.672
 1462    HA   SER 268           HA       SER 268  12.058 -16.712   0.213
 1463   1HB   SER 268          HB2       SER 268  11.884 -15.245  -2.107
 1464   2HB   SER 268          HB1       SER 268  12.823 -16.641  -2.626
 1465    HG   SER 268           HG       SER 268  10.705 -17.235  -0.975
 1466    H    LYS 269           HN       LYS 269  15.036 -15.969  -1.583
 1467    HA   LYS 269           HA       LYS 269  15.999 -18.636  -1.722
 1468   1HB   LYS 269          HB2       LYS 269  17.487 -15.997  -1.714
 1469   2HB   LYS 269          HB1       LYS 269  18.210 -17.552  -2.129
 1470   1HG   LYS 269          HG2       LYS 269  15.972 -17.541  -3.716
 1471   2HG   LYS 269          HG1       LYS 269  16.416 -15.833  -3.707
 1472   1HD   LYS 269          HD2       LYS 269  18.860 -17.070  -4.015
 1473   2HD   LYS 269          HD1       LYS 269  17.789 -18.118  -4.948
 1474   1HE   LYS 269          HE2       LYS 269  17.769 -15.103  -5.248
 1475   2HE   LYS 269          HE1       LYS 269  18.801 -16.145  -6.229
 1476   1HZ   LYS 269          HZ1       LYS 269  16.154 -15.530  -6.680
 1477   2HZ   LYS 269          HZ2       LYS 269  16.135 -17.134  -6.137
 1478   3HZ   LYS 269          HZ3       LYS 269  17.077 -16.701  -7.489
 1479    H    GLN 270           HN       GLN 270  16.111 -16.161   0.727
 1480    HA   GLN 270           HA       GLN 270  18.146 -17.274   2.368
 1481   1HB   GLN 270          HB2       GLN 270  16.527 -14.988   2.375
 1482   2HB   GLN 270          HB1       GLN 270  16.112 -15.848   3.858
 1483   1HG   GLN 270          HG2       GLN 270  18.466 -15.954   4.496
 1484   2HG   GLN 270          HG1       GLN 270  18.936 -15.195   2.976
 1485   1HE2  GLN 270          HE21      GLN 270  18.606 -14.435   6.149
 1486   2HE2  GLN 270          HE22      GLN 270  18.139 -12.809   6.021
 1487    H    LEU 271           HN       LEU 271  14.636 -17.160   2.993
 1488    HA   LEU 271           HA       LEU 271  14.420 -18.860   5.089
 1489   1HB   LEU 271          HB2       LEU 271  12.644 -18.465   2.705
 1490   2HB   LEU 271          HB1       LEU 271  12.222 -19.662   3.925
 1491    HG   LEU 271           HG       LEU 271  11.156 -17.840   4.838
 1492   1HD1  LEU 271          HD11      LEU 271  12.426 -16.963   6.657
 1493   2HD1  LEU 271          HD12      LEU 271  13.946 -17.157   5.785
 1494   3HD1  LEU 271          HD13      LEU 271  13.064 -18.578   6.355
 1495   1HD2  LEU 271          HD21      LEU 271  13.320 -16.151   3.561
 1496   2HD2  LEU 271          HD22      LEU 271  12.071 -15.491   4.612
 1497   3HD2  LEU 271          HD23      LEU 271  11.627 -16.257   3.087
 1498    H    LYS 272           HN       LYS 272  14.683 -19.851   1.679
 1499    HA   LYS 272           HA       LYS 272  14.379 -22.593   2.003
 1500   1HB   LYS 272          HB2       LYS 272  16.161 -21.047   0.110
 1501   2HB   LYS 272          HB1       LYS 272  15.906 -22.789  -0.001
 1502   1HG   LYS 272          HG2       LYS 272  13.356 -22.126   0.076
 1503   2HG   LYS 272          HG1       LYS 272  13.954 -20.557  -0.467
 1504   1HD   LYS 272          HD2       LYS 272  14.783 -21.423  -2.481
 1505   2HD   LYS 272          HD1       LYS 272  14.865 -23.069  -1.854
 1506   1HE   LYS 272          HE2       LYS 272  12.165 -21.836  -1.913
 1507   2HE   LYS 272          HE1       LYS 272  12.881 -22.212  -3.481
 1508   1HZ   LYS 272          HZ1       LYS 272  11.949 -23.997  -1.402
 1509   2HZ   LYS 272          HZ2       LYS 272  13.450 -24.423  -2.075
 1510   3HZ   LYS 272          HZ3       LYS 272  12.085 -24.256  -3.073
 1511    H    LEU 273           HN       LEU 273  17.318 -20.620   2.372
 1512    HA   LEU 273           HA       LEU 273  18.986 -22.840   3.071
 1513   1HB   LEU 273          HB2       LEU 273  19.460 -19.930   3.704
 1514   2HB   LEU 273          HB1       LEU 273  20.659 -21.207   3.525
 1515    HG   LEU 273           HG       LEU 273  18.822 -20.643   1.235
 1516   1HD1  LEU 273          HD11      LEU 273  21.380 -19.102   1.681
 1517   2HD1  LEU 273          HD12      LEU 273  19.808 -18.462   2.158
 1518   3HD1  LEU 273          HD13      LEU 273  20.138 -18.819   0.462
 1519   1HD2  LEU 273          HD21      LEU 273  21.032 -21.193   0.043
 1520   2HD2  LEU 273          HD22      LEU 273  20.285 -22.509   0.949
 1521   3HD2  LEU 273          HD23      LEU 273  21.654 -21.634   1.634
 1522    H    GLU 274           HN       GLU 274  16.852 -20.681   4.754
 1523    HA   GLU 274           HA       GLU 274  17.934 -21.203   7.369
 1524   1HB   GLU 274          HB2       GLU 274  15.294 -19.964   6.618
 1525   2HB   GLU 274          HB1       GLU 274  16.109 -19.865   8.182
 1526   1HG   GLU 274          HG2       GLU 274  16.760 -18.505   5.621
 1527   2HG   GLU 274          HG1       GLU 274  16.887 -17.912   7.273
 1528    H    GLY 275           HN       GLY 275  16.035 -22.972   5.252
 1529   1HA   GLY 275          HA2       GLY 275  14.627 -24.789   5.465
 1530   2HA   GLY 275          HA1       GLY 275  15.603 -25.156   6.884
 1531    H    ARG 276           HN       ARG 276  13.663 -22.251   6.556
 1532    HA   ARG 276           HA       ARG 276  12.141 -23.023   8.936
 1533   1HB   ARG 276          HB2       ARG 276  12.394 -20.417   7.422
 1534   2HB   ARG 276          HB1       ARG 276  11.361 -20.640   8.834
 1535   1HG   ARG 276          HG2       ARG 276  13.564 -21.569   9.936
 1536   2HG   ARG 276          HG1       ARG 276  14.358 -20.644   8.658
 1537   1HD   ARG 276          HD2       ARG 276  13.074 -18.632   9.356
 1538   2HD   ARG 276          HD1       ARG 276  12.371 -19.564  10.674
 1539    HE   ARG 276           HE       ARG 276  15.125 -19.818  10.929
 1540   1HH1  ARG 276          HH21      ARG 276  12.776 -17.275  10.833
 1541   2HH1  ARG 276          HH22      ARG 276  13.613 -16.273  11.970
 1542   1HH2  ARG 276          HH11      ARG 276  16.225 -18.497  12.425
 1543   2HH2  ARG 276          HH12      ARG 276  15.553 -16.965  12.873
 1544    H    SER 277           HN       SER 277  10.324 -20.780   7.498
 1545    HA   SER 277           HA       SER 277   8.820 -22.446   5.654
 1546   1HB   SER 277          HB2       SER 277   7.968 -23.143   7.887
 1547   2HB   SER 277          HB1       SER 277   7.529 -21.469   8.212
 1548    HG   SER 277           HG       SER 277   6.574 -23.136   6.119
 1549    H    GLU 278           HN       GLU 278   9.113 -20.884   4.114
 1550    HA   GLU 278           HA       GLU 278   9.226 -18.270   4.013
 1551   1HB   GLU 278          HB2       GLU 278   7.228 -19.848   2.381
 1552   2HB   GLU 278          HB1       GLU 278   7.847 -18.246   1.969
 1553   1HG   GLU 278          HG2       GLU 278  10.153 -19.157   1.954
 1554   2HG   GLU 278          HG1       GLU 278   9.510 -20.758   2.311
 1555    H    ASP 279           HN       ASP 279   6.690 -19.831   5.650
 1556    HA   ASP 279           HA       ASP 279   4.479 -18.229   5.440
 1557   1HB   ASP 279          HB2       ASP 279   5.747 -19.320   7.963
 1558   2HB   ASP 279          HB1       ASP 279   4.126 -18.631   7.891
 1559    H    ILE 280           HN       ILE 280   7.404 -17.550   7.337
 1560    HA   ILE 280           HA       ILE 280   6.581 -15.068   8.390
 1561    HB   ILE 280           HB       ILE 280   8.537 -15.987   9.351
 1562   1HG1  ILE 280          HG12      ILE 280   9.641 -13.887   7.471
 1563   2HG1  ILE 280          HG11      ILE 280   8.570 -13.482   8.812
 1564   1HG2  ILE 280          HG21      ILE 280  10.365 -15.915   7.093
 1565   2HG2  ILE 280          HG22      ILE 280   8.998 -16.975   6.758
 1566   3HG2  ILE 280          HG23      ILE 280   9.998 -17.252   8.183
 1567   1HD1  ILE 280          HD11      ILE 280  10.866 -13.236   9.565
 1568   2HD1  ILE 280          HD12      ILE 280  11.265 -14.858   8.997
 1569   3HD1  ILE 280          HD13      ILE 280  10.167 -14.646  10.360
 1570    H    LEU 281           HN       LEU 281   8.361 -15.902   5.441
 1571    HA   LEU 281           HA       LEU 281   8.595 -13.227   4.479
 1572   1HB   LEU 281          HB2       LEU 281  10.099 -14.963   3.684
 1573   2HB   LEU 281          HB1       LEU 281   8.737 -15.888   3.045
 1574    HG   LEU 281           HG       LEU 281   8.177 -13.773   1.686
 1575   1HD1  LEU 281          HD11      LEU 281   9.938 -12.191   1.343
 1576   2HD1  LEU 281          HD12      LEU 281  11.096 -13.199   2.210
 1577   3HD1  LEU 281          HD13      LEU 281   9.800 -12.394   3.091
 1578   1HD2  LEU 281          HD21      LEU 281  10.740 -14.642   0.597
 1579   2HD2  LEU 281          HD22      LEU 281   9.113 -14.907  -0.030
 1580   3HD2  LEU 281          HD23      LEU 281   9.782 -16.002   1.180
 1581    H    LEU 282           HN       LEU 282   6.136 -15.625   4.453
 1582    HA   LEU 282           HA       LEU 282   4.640 -14.553   2.239
 1583   1HB   LEU 282          HB2       LEU 282   4.131 -16.769   2.462
 1584   2HB   LEU 282          HB1       LEU 282   4.352 -16.756   4.211
 1585    HG   LEU 282           HG       LEU 282   2.213 -15.862   4.594
 1586   1HD1  LEU 282          HD11      LEU 282   2.585 -14.166   2.636
 1587   2HD1  LEU 282          HD12      LEU 282   0.935 -14.635   3.047
 1588   3HD1  LEU 282          HD13      LEU 282   1.741 -15.368   1.660
 1589   1HD2  LEU 282          HD21      LEU 282   2.151 -18.210   3.810
 1590   2HD2  LEU 282          HD22      LEU 282   1.944 -17.644   2.152
 1591   3HD2  LEU 282          HD23      LEU 282   0.686 -17.341   3.352
 1592    H    ASP 283           HN       ASP 283   5.082 -13.675   5.480
 1593    HA   ASP 283           HA       ASP 283   2.477 -12.337   5.664
 1594   1HB   ASP 283          HB2       ASP 283   2.991 -12.054   7.997
 1595   2HB   ASP 283          HB1       ASP 283   3.303 -13.730   7.570
 1596    H    TYR 284           HN       TYR 284   5.612 -11.737   4.653
 1597    HA   TYR 284           HA       TYR 284   6.146  -9.171   5.672
 1598   1HB   TYR 284          HB2       TYR 284   7.019 -10.608   3.176
 1599   2HB   TYR 284          HB1       TYR 284   7.556  -8.968   3.539
 1600    HD1  TYR 284           HD1      TYR 284   6.947 -10.423   6.630
 1601    HD2  TYR 284           HD2      TYR 284   9.775 -10.583   3.399
 1602    HE1  TYR 284           HE1      TYR 284   8.665 -11.315   8.178
 1603    HE2  TYR 284           HE2      TYR 284  11.491 -11.480   4.949
 1604    HH   TYR 284           HH       TYR 284  11.804 -11.272   7.665
 1605    H    ARG 285           HN       ARG 285   3.842 -10.189   3.318
 1606    HA   ARG 285           HA       ARG 285   3.606  -7.976   1.644
 1607   1HB   ARG 285          HB2       ARG 285   1.278  -8.612   1.352
 1608   2HB   ARG 285          HB1       ARG 285   2.267 -10.070   1.445
 1609   1HG   ARG 285          HG2       ARG 285   1.705 -10.276   3.855
 1610   2HG   ARG 285          HG1       ARG 285   0.669  -8.854   3.720
 1611   1HD   ARG 285          HD2       ARG 285  -0.721 -10.004   2.055
 1612   2HD   ARG 285          HD1       ARG 285   0.331 -11.414   2.133
 1613    HE   ARG 285           HE       ARG 285  -0.396 -11.238   4.685
 1614   1HH1  ARG 285          HH21      ARG 285  -2.240 -10.794   1.785
 1615   2HH1  ARG 285          HH22      ARG 285  -3.722 -11.362   2.479
 1616   1HH2  ARG 285          HH11      ARG 285  -2.347 -11.984   5.594
 1617   2HH2  ARG 285          HH12      ARG 285  -3.783 -12.037   4.627
 1618    H    LEU 286           HN       LEU 286   2.488  -8.439   4.957
 1619    HA   LEU 286           HA       LEU 286   0.912  -6.112   5.183
 1620   1HB   LEU 286          HB2       LEU 286   2.497  -7.660   7.242
 1621   2HB   LEU 286          HB1       LEU 286   1.401  -6.339   7.645
 1622    HG   LEU 286           HG       LEU 286   0.547  -8.757   6.035
 1623   1HD1  LEU 286          HD11      LEU 286  -0.637  -9.288   8.302
 1624   2HD1  LEU 286          HD12      LEU 286   0.618  -8.266   9.004
 1625   3HD1  LEU 286          HD13      LEU 286   1.062  -9.721   8.112
 1626   1HD2  LEU 286          HD21      LEU 286  -1.693  -7.851   7.139
 1627   2HD2  LEU 286          HD22      LEU 286  -1.062  -7.123   5.662
 1628   3HD2  LEU 286          HD23      LEU 286  -0.781  -6.343   7.219
 1629    H    THR 287           HN       THR 287   4.360  -6.706   5.805
 1630    HA   THR 287           HA       THR 287   5.032  -4.144   6.751
 1631    HB   THR 287           HB       THR 287   6.807  -5.979   5.128
 1632    HG1  THR 287           HG1      THR 287   6.557  -7.287   6.731
 1633   1HG2  THR 287          HG21      THR 287   7.322  -3.463   6.005
 1634   2HG2  THR 287          HG22      THR 287   8.558  -4.712   5.862
 1635   3HG2  THR 287          HG23      THR 287   7.803  -4.393   7.423
 1636    H    LEU 288           HN       LEU 288   5.184  -5.502   3.457
 1637    HA   LEU 288           HA       LEU 288   6.157  -3.256   2.123
 1638   1HB   LEU 288          HB2       LEU 288   5.725  -5.616   1.214
 1639   2HB   LEU 288          HB1       LEU 288   4.059  -5.092   0.970
 1640    HG   LEU 288           HG       LEU 288   6.410  -4.504  -0.617
 1641   1HD1  LEU 288          HD11      LEU 288   4.754  -4.957  -2.061
 1642   2HD1  LEU 288          HD12      LEU 288   4.161  -3.322  -1.758
 1643   3HD1  LEU 288          HD13      LEU 288   3.524  -4.681  -0.829
 1644   1HD2  LEU 288          HD21      LEU 288   4.885  -2.199   0.601
 1645   2HD2  LEU 288          HD22      LEU 288   5.700  -2.055  -0.957
 1646   3HD2  LEU 288          HD23      LEU 288   6.633  -2.417   0.496
 1647    H    ILE 289           HN       ILE 289   2.783  -4.217   2.739
 1648    HA   ILE 289           HA       ILE 289   1.604  -1.917   1.578
 1649    HB   ILE 289           HB       ILE 289   0.522  -3.719   3.763
 1650   1HG1  ILE 289          HG12      ILE 289   0.796  -3.973   0.811
 1651   2HG1  ILE 289          HG11      ILE 289   0.730  -5.230   2.046
 1652   1HG2  ILE 289          HG21      ILE 289  -0.537  -1.398   2.289
 1653   2HG2  ILE 289          HG22      ILE 289  -1.088  -2.117   3.802
 1654   3HG2  ILE 289          HG23      ILE 289  -1.592  -2.811   2.261
 1655   1HD1  ILE 289          HD11      ILE 289  -1.585  -3.669   0.876
 1656   2HD1  ILE 289          HD12      ILE 289  -1.733  -4.650   2.335
 1657   3HD1  ILE 289          HD13      ILE 289  -1.313  -5.413   0.798
 1658    H    ASP 290           HN       ASP 290   2.839  -2.650   4.784
 1659    HA   ASP 290           HA       ASP 290   1.776  -0.331   6.075
 1660   1HB   ASP 290          HB2       ASP 290   2.360  -2.092   7.526
 1661   2HB   ASP 290          HB1       ASP 290   3.933  -2.317   6.765
 1662    H    VAL 291           HN       VAL 291   4.908  -1.128   4.596
 1663    HA   VAL 291           HA       VAL 291   6.317   1.179   5.292
 1664    HB   VAL 291           HB       VAL 291   6.490  -0.586   2.846
 1665   1HG1  VAL 291          HG11      VAL 291   8.079   1.835   3.675
 1666   2HG1  VAL 291          HG12      VAL 291   7.467   1.409   2.077
 1667   3HG1  VAL 291          HG13      VAL 291   8.844   0.539   2.754
 1668   1HG2  VAL 291          HG21      VAL 291   7.085  -1.679   4.940
 1669   2HG2  VAL 291          HG22      VAL 291   8.106  -0.316   5.401
 1670   3HG2  VAL 291          HG23      VAL 291   8.566  -1.343   4.042
 1671    H    ILE 292           HN       ILE 292   4.598   0.570   2.206
 1672    HA   ILE 292           HA       ILE 292   4.870   3.188   1.222
 1673    HB   ILE 292           HB       ILE 292   3.003   2.555  -0.299
 1674   1HG1  ILE 292          HG12      ILE 292   2.999   0.034   1.387
 1675   2HG1  ILE 292          HG11      ILE 292   1.697   1.222   1.310
 1676   1HG2  ILE 292          HG21      ILE 292   5.578   1.482  -0.098
 1677   2HG2  ILE 292          HG22      ILE 292   4.546   1.459  -1.524
 1678   3HG2  ILE 292          HG23      ILE 292   4.543   0.096  -0.411
 1679   1HD1  ILE 292          HD11      ILE 292   2.590  -0.745  -0.774
 1680   2HD1  ILE 292          HD12      ILE 292   1.827   0.763  -1.281
 1681   3HD1  ILE 292          HD13      ILE 292   0.956  -0.358  -0.235
 1682    H    ALA 293           HN       ALA 293   2.378   1.658   3.197
 1683    HA   ALA 293           HA       ALA 293   0.507   3.774   3.157
 1684   1HB   ALA 293          HB1       ALA 293   1.057   1.657   5.251
 1685   2HB   ALA 293          HB2       ALA 293  -0.140   1.579   3.958
 1686   3HB   ALA 293          HB3       ALA 293  -0.337   2.738   5.273
 1687    H    HIS 294           HN       HIS 294   3.446   3.222   4.968
 1688    HA   HIS 294           HA       HIS 294   2.997   5.200   6.979
 1689   1HB   HIS 294          HB2       HIS 294   4.983   3.260   6.364
 1690   2HB   HIS 294          HB1       HIS 294   5.789   4.821   6.506
 1691    HD1  HIS 294           HD1      HIS 294   5.780   5.971   8.804
 1692    HD2  HIS 294           HD2      HIS 294   3.684   2.371   8.756
 1693    HE1  HIS 294           HE1      HIS 294   5.289   5.398  11.221
 1694    HE2  HIS 294           HE2      HIS 294   4.010   3.204  11.210
 1695    H    LEU 295           HN       LEU 295   5.143   5.198   4.104
 1696    HA   LEU 295           HA       LEU 295   5.907   7.890   4.322
 1697   1HB   LEU 295          HB2       LEU 295   7.010   7.576   2.360
 1698   2HB   LEU 295          HB1       LEU 295   6.658   5.881   2.698
 1699    HG   LEU 295           HG       LEU 295   4.342   6.922   1.476
 1700   1HD1  LEU 295          HD11      LEU 295   6.691   7.473  -0.318
 1701   2HD1  LEU 295          HD12      LEU 295   6.120   8.731   0.778
 1702   3HD1  LEU 295          HD13      LEU 295   5.036   8.065  -0.442
 1703   1HD2  LEU 295          HD21      LEU 295   5.935   4.709   1.363
 1704   2HD2  LEU 295          HD22      LEU 295   6.264   5.445  -0.206
 1705   3HD2  LEU 295          HD23      LEU 295   4.609   5.029   0.244
 1706    H    CYS 296           HN       CYS 296   3.178   6.339   2.760
 1707    HA   CYS 296           HA       CYS 296   2.156   8.589   1.394
 1708   1HB   CYS 296          HB2       CYS 296   1.367   6.336   0.900
 1709   2HB   CYS 296          HB1       CYS 296   0.748   6.162   2.542
 1710    H    GLU 297           HN       GLU 297   1.724   7.376   4.679
 1711    HA   GLU 297           HA       GLU 297  -0.323   9.113   5.498
 1712   1HB   GLU 297          HB2       GLU 297   1.960   7.829   7.013
 1713   2HB   GLU 297          HB1       GLU 297   0.717   8.799   7.804
 1714   1HG   GLU 297          HG2       GLU 297   0.221   6.321   6.125
 1715   2HG   GLU 297          HG1       GLU 297   0.134   6.406   7.883
 1716    H    MET 298           HN       MET 298   3.155   9.509   5.162
 1717    HA   MET 298           HA       MET 298   3.332  12.041   6.457
 1718   1HB   MET 298          HB2       MET 298   5.555  12.003   5.888
 1719   2HB   MET 298          HB1       MET 298   5.195  10.286   5.708
 1720   1HG   MET 298          HG2       MET 298   5.838  10.437   3.559
 1721   2HG   MET 298          HG1       MET 298   4.443  11.481   3.280
 1722   1HE   MET 298          HE1       MET 298   8.467  11.515   3.966
 1723   2HE   MET 298          HE2       MET 298   7.487  11.641   5.426
 1724   3HE   MET 298          HE3       MET 298   8.440  13.022   4.890
 1725    H    TYR 299           HN       TYR 299   2.739  10.995   3.126
 1726    HA   TYR 299           HA       TYR 299   2.983  13.471   1.827
 1727   1HB   TYR 299          HB2       TYR 299   1.163  11.113   1.310
 1728   2HB   TYR 299          HB1       TYR 299   1.233  12.513   0.245
 1729    HD1  TYR 299           HD1      TYR 299   1.925   9.648  -0.512
 1730    HD2  TYR 299           HD2      TYR 299   4.343  12.902   0.908
 1731    HE1  TYR 299           HE1      TYR 299   3.895   8.683  -1.660
 1732    HE2  TYR 299           HE2      TYR 299   6.316  11.932  -0.233
 1733    HH   TYR 299           HH       TYR 299   6.497  10.221  -2.449
 1734    H    ARG 300           HN       ARG 300   0.202  11.949   3.378
 1735    HA   ARG 300           HA       ARG 300  -1.731  13.890   2.890
 1736   1HB   ARG 300          HB2       ARG 300  -2.019  11.573   3.893
 1737   2HB   ARG 300          HB1       ARG 300  -1.525  12.281   5.431
 1738   1HG   ARG 300          HG2       ARG 300  -3.372  13.866   5.344
 1739   2HG   ARG 300          HG1       ARG 300  -3.832  13.285   3.742
 1740   1HD   ARG 300          HD2       ARG 300  -4.789  11.381   4.560
 1741   2HD   ARG 300          HD1       ARG 300  -3.599  11.215   5.848
 1742    HE   ARG 300           HE       ARG 300  -5.077  13.426   6.545
 1743   1HH1  ARG 300          HH21      ARG 300  -5.715  10.125   5.724
 1744   2HH1  ARG 300          HH22      ARG 300  -7.111   9.999   6.743
 1745   1HH2  ARG 300          HH11      ARG 300  -6.908  13.265   7.882
 1746   2HH2  ARG 300          HH12      ARG 300  -7.784  11.773   7.965
 1747    H    ARG 301           HN       ARG 301   0.503  13.572   5.636
 1748    HA   ARG 301           HA       ARG 301  -0.410  15.807   7.087
 1749   1HB   ARG 301          HB2       ARG 301   2.348  14.567   7.026
 1750   2HB   ARG 301          HB1       ARG 301   1.714  15.624   8.285
 1751   1HG   ARG 301          HG2       ARG 301  -0.018  14.015   8.842
 1752   2HG   ARG 301          HG1       ARG 301   0.462  12.983   7.495
 1753   1HD   ARG 301          HD2       ARG 301   1.576  11.955   9.255
 1754   2HD   ARG 301          HD1       ARG 301   2.820  13.055   8.668
 1755    HE   ARG 301           HE       ARG 301   1.658  14.586  10.513
 1756   1HH1  ARG 301          HH21      ARG 301   2.507  11.226  10.562
 1757   2HH1  ARG 301          HH22      ARG 301   2.785  11.183  12.271
 1758   1HH2  ARG 301          HH11      ARG 301   2.015  14.527  12.754
 1759   2HH2  ARG 301          HH12      ARG 301   2.507  13.049  13.510
 1760    H    SER 302           HN       SER 302   1.495  15.599   4.223
 1761    HA   SER 302           HA       SER 302   2.636  18.265   4.602
 1762   1HB   SER 302          HB2       SER 302   3.026  16.071   2.589
 1763   2HB   SER 302          HB1       SER 302   3.568  17.710   2.237
 1764    HG   SER 302           HG       SER 302   4.707  15.849   3.790
 1765    H    ILE 303           HN       ILE 303  -0.335  17.582   4.088
 1766    HA   ILE 303           HA       ILE 303  -0.734  19.153   1.622
 1767    HB   ILE 303           HB       ILE 303  -2.810  17.607   3.179
 1768   1HG1  ILE 303          HG12      ILE 303  -0.586  16.602   1.717
 1769   2HG1  ILE 303          HG11      ILE 303  -1.960  15.697   2.351
 1770   1HG2  ILE 303          HG21      ILE 303  -3.920  19.075   1.719
 1771   2HG2  ILE 303          HG22      ILE 303  -3.774  17.607   0.752
 1772   3HG2  ILE 303          HG23      ILE 303  -2.663  18.951   0.488
 1773   1HD1  ILE 303          HD11      ILE 303  -1.350  16.408  -0.396
 1774   2HD1  ILE 303          HD12      ILE 303  -2.950  16.985   0.070
 1775   3HD1  ILE 303          HD13      ILE 303  -2.551  15.273   0.220
 1776    HA   PRO 304           HA       PRO 304  -1.863  22.333   4.653
 1777   1HB   PRO 304          HB2       PRO 304  -1.005  24.434   3.178
 1778   2HB   PRO 304          HB1       PRO 304   0.112  23.399   4.087
 1779   1HG   PRO 304          HG2       PRO 304  -0.434  23.494   1.179
 1780   2HG   PRO 304          HG1       PRO 304   1.061  23.099   2.040
 1781   1HD   PRO 304          HD2       PRO 304  -0.747  21.242   0.917
 1782   2HD   PRO 304          HD1       PRO 304   0.573  20.870   2.046
 1783    H    ARG 305           HN       ARG 305  -3.912  21.169   3.230
 1784    HA   ARG 305           HA       ARG 305  -5.729  21.604   1.782
 1785   1HB   ARG 305          HB2       ARG 305  -5.849  23.476   4.142
 1786   2HB   ARG 305          HB1       ARG 305  -7.182  23.317   2.996
 1787   1HG   ARG 305          HG2       ARG 305  -7.625  21.777   4.788
 1788   2HG   ARG 305          HG1       ARG 305  -7.099  20.818   3.405
 1789   1HD   ARG 305          HD2       ARG 305  -5.936  20.027   5.387
 1790   2HD   ARG 305          HD1       ARG 305  -4.780  20.834   4.331
 1791    HE   ARG 305           HE       ARG 305  -5.108  22.831   5.842
 1792   1HH1  ARG 305          HH21      ARG 305  -5.739  19.584   6.881
 1793   2HH1  ARG 305          HH22      ARG 305  -5.444  19.921   8.555
 1794   1HH2  ARG 305          HH11      ARG 305  -4.727  23.263   8.048
 1795   2HH2  ARG 305          HH12      ARG 305  -4.873  21.986   9.209
 1796    H    GLU 306           HN       GLU 306  -5.189  22.380  -0.199
 1797    HA   GLU 306           HA       GLU 306  -4.228  25.050  -0.641
 1798   1HB   GLU 306          HB2       GLU 306  -4.989  22.710  -2.321
 1799   2HB   GLU 306          HB1       GLU 306  -4.999  24.298  -3.089
 1800   1HG   GLU 306          HG2       GLU 306  -2.710  24.630  -2.723
 1801   2HG   GLU 306          HG1       GLU 306  -2.651  23.451  -1.414
 1802    H    VAL 307           HN       VAL 307  -7.341  23.445  -0.660
 1803    HA   VAL 307           HA       VAL 307  -9.421  24.278  -1.432
 1804    HB   VAL 307           HB       VAL 307  -9.882  26.237   0.342
 1805   1HG1  VAL 307          HG11      VAL 307 -10.576  24.511   1.869
 1806   2HG1  VAL 307          HG12      VAL 307  -9.391  23.377   1.224
 1807   3HG1  VAL 307          HG13      VAL 307 -10.779  23.857   0.245
 1808   1HG2  VAL 307          HG21      VAL 307  -8.351  26.351   2.096
 1809   2HG2  VAL 307          HG22      VAL 307  -7.249  26.091   0.743
 1810   3HG2  VAL 307          HG23      VAL 307  -7.711  24.742   1.779