*HEADER   RIBOSOMAL PROTEIN                       13-SEP-96   1FOW    
*TITLE    NMR STRUCTURE OF L11-C76, THE C-TERMINAL DOMAIN OF          
*TITLE   2 50S RIBOSOMAL PROTEIN L11, MINIMIZED AVERAGE STRUCTURE     
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: L11-C76;                                         
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: CARBOXYL-TERMINAL DOMAIN OF PROTEIN L11, RESIDUES
*COMPND  5 THR 59 TO ASP 133;                                         
*COMPND  6 ENGINEERED: YES;                                           
*COMPND  7 MUTATION: INS(MET1);                                       
*COMPND  8 OTHER_DETAILS: BINDS SPECIFICALLY TO RNA                   
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: BACILLUS STEAROTHERMOPHILUS;          
*SOURCE  3 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  4 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                      
*SOURCE  5 EXPRESSION_SYSTEM_PLASMID: DERIVED FROM PET11A             
*KEYWDS   RIBOSOMAL PROTEIN, RNA-BINDING DOMAIN, L11-C76,             
*KEYWDS  2 ALPHA-HELICAL PROTEIN, HOMEODOMAIN FOLD                    
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   M.A.MARKUS,A.P.HINCK,S.HUANG,D.E.DRAPER,D.A.TORCHIA         
*REVDAT  1   12-MAR-97 1FOW    0                                      


!
!@ BEGIN_XPLR_PCK_SUM
! LBL   File-Name                   All   Intra  Seq.  Short   Long
! A   298/l11_n15_for_xplr6.PCK     337    49    194     67     27
! B   to_xplor4.PCK                 146     2     57     61     26
!    Total                          483    51    251    128     53
!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE
!
! M1

! T2

! F3
assign (resid   3 and name   HA) (resid   4 and name   HN)  2.5  0.7  0.4 ! A.28   at 9.89e+06
assign (resid   3 and name  HB#) (resid   4 and name   HN)  5.0  3.2  2.0 ! A.370  at 4.00e+05

! I4
assign (resid   4 and name   HB) (resid   4 and name   HN)  4.0  2.2  1.0 ! A.514  at 2.10e+06
assign (resid   4 and name   HB) (resid   5 and name   HN)  5.0  3.2  1.0 ! A.265  at 4.66e+05
assign (resid   4 and name   HA) (resid   5 and name   HN)  2.5  0.7  0.4 ! A.266  at 1.01e+07
assign (resid   4 and name  HD#) (resid   5 and name   HN)  4.0  2.2  2.0 ! A.148  at 7.35e+05

! T5
assign (resid   5 and name HG2#) (resid   6 and name   HN)  4.0  2.2  2.0 ! A.36   at 5.19e+05
assign (resid   5 and name   HA) (resid   6 and name   HN)  3.0  1.2  0.5 ! A.34   at 7.53e+06
assign (resid   5 and name   HB) (resid   6 and name   HN)  4.0  2.2  1.0 ! A.35   at 1.72e+06

! K6
assign (resid   6 and name  HD#) (resid   7 and name   HN)  4.0  2.2  2.0 ! A.225  at 8.52e+05
assign (resid   6 and name   HA) (resid   7 and name   HN)  2.5  0.7  0.4 ! A.223  at 1.04e+07
assign (resid   6 and name  HB#) (resid   7 and name   HN)  4.0  2.2  2.0 ! A.224  at 1.21e+06

! T7
assign (resid   7 and name   HN) (resid   8 and name  HD#)  5.0  3.2  2.0 ! A.438  at 3.82e+05

! P8

! P9
assign (resid   9 and name  HB#) (resid  10 and name   HN)  4.0  2.2  2.0 ! A.268  at 5.42e+05
assign (resid   9 and name   HA) (resid  10 and name   HN)  3.0  1.2  0.5 ! A.21   at 3.83e+06
assign (resid   9 and name  HB#) (resid  11 and name   HN)  4.0  2.2  2.0 ! A.271  at 1.23e+06
assign (resid   9 and name  HG#) (resid  11 and name   HN)  4.0  2.2  2.0 ! A.363  at 6.78e+05
assign (resid   9 and name   HA) (resid  11 and name   HN)  5.0  3.2  1.0 ! A.274  at 4.12e+05
assign (resid   9 and name  HB#) (resid  12 and name   HN)  4.0  2.2  2.0 ! A.364  at 1.80e+06
assign (resid   9 and name  HG#) (resid  12 and name   HN)  5.0  3.2  2.0 ! B.9    at 3.31e+05
assign (resid   9 and name  HD#) (resid  12 and name   HN)  5.0  3.2  2.0 ! B.7    at 2.62e+05

! A10
assign (resid  10 and name  HB#) (resid  10 and name   HN)  3.0  1.2  1.5 ! A.515  at 2.88e+06
assign (resid  10 and name   HN) (resid  11 and name   HN)  4.0  2.2  1.0 ! A.227  at 1.29e+06
assign (resid  10 and name   HA) (resid  13 and name   HN)  4.0  2.2  1.0 ! A.155  at 8.59e+05
assign (resid  10 and name   HN) (resid  47 and name  HE#)  5.0  3.2  2.0 ! A.362  at 4.76e+05

! A11
assign (resid  11 and name  HB#) (resid  11 and name   HN)  3.0  1.2  1.5 ! A.516  at 7.82e+06
assign (resid  11 and name   HN) (resid  12 and name   HN)  4.0  2.2  1.0 ! A.240  at 1.67e+06
assign (resid  11 and name   HA) (resid  12 and name   HN)  5.0  3.2  1.0 ! A.275  at 4.44e+05
assign (resid  11 and name  HB#) (resid  12 and name   HN)  4.0  2.2  2.0 ! A.242  at 1.79e+06
assign (resid  11 and name  HB#) (resid  14 and name   HN)  5.0  3.2  2.0 ! B.17   at 2.31e+05
assign (resid  11 and name   HA) (resid  14 and name   HN)  4.0  2.2  1.0 ! B.12   at 6.98e+05
assign (resid  11 and name  HB#) (resid  15 and name   HN)  5.0  3.2  2.0 ! B.20   at 1.98e+05
assign (resid  11 and name   HN) (resid  66 and name HG2#)  4.0  2.2  2.0 ! A.272  at 8.00e+05

! V12
assign (resid  12 and name HG2#) (resid  12 and name   HN)  3.0  1.2  1.5 ! A.518  at 3.58e+06
assign (resid  12 and name   HB) (resid  12 and name   HN)  3.0  1.2  0.5 ! A.517  at 4.96e+06
assign (resid  12 and name   HA) (resid  13 and name   HN)  4.0  2.2  1.0 ! A.156  at 6.29e+05
assign (resid  12 and name   HN) (resid  13 and name   HN)  3.0  1.2  0.5 ! A.241  at 3.33e+06
assign (resid  12 and name   HB) (resid  13 and name   HN)  4.0  2.2  1.0 ! A.157  at 2.50e+06
assign (resid  12 and name HG2#) (resid  13 and name   HN)  4.0  2.2  2.0 ! A.158  at 7.86e+05
assign (resid  12 and name   HN) (resid  13 and name   HG)  4.0  2.2  1.0 ! A.365  at 6.19e+05
assign (resid  12 and name HG1#) (resid  13 and name   HN)  4.0  2.2  2.0 ! B.11   at 5.17e+05
assign (resid  12 and name   HN) (resid  13 and name  HB#)  5.0  3.2  2.0 ! B.8    at 2.02e+05
assign (resid  12 and name   HN) (resid  13 and name HD1#)  5.0  3.2  2.0 ! B.10   at 2.20e+05
assign (resid  12 and name   HN) (resid  14 and name   HN)  5.0  3.2  1.0 ! A.278  at 4.98e+05
assign (resid  12 and name   HB) (resid  14 and name   HN)  5.0  3.2  1.0 ! B.13   at 2.08e+05
assign (resid  12 and name   HA) (resid  15 and name   HN)  4.0  2.2  1.0 ! A.197  at 9.68e+05

! L13
assign (resid  13 and name  HB2) (resid  13 and name   HN)  3.0  1.2  0.5 ! A.519  at 3.36e+06
assign (resid  13 and name   HG) (resid  13 and name   HN)  3.0  1.2  0.5 ! A.520  at 5.87e+06
assign (resid  13 and name  HB1) (resid  14 and name   HN)  4.0  2.2  1.0 ! A.116  at 1.74e+06
assign (resid  13 and name   HN) (resid  14 and name   HN)  4.0  2.2  1.0 ! A.153  at 2.33e+06
assign (resid  13 and name   HA) (resid  14 and name   HN)  4.0  2.2  1.0 ! A.115  at 6.16e+05
assign (resid  13 and name HD1#) (resid  14 and name   HN)  4.0  2.2  2.0 ! B.14   at 1.91e+06
assign (resid  13 and name   HA) (resid  16 and name   HN)  4.0  2.2  1.0 ! A.200  at 9.76e+05
assign (resid  13 and name   HA) (resid  17 and name   HN)  5.0  3.2  1.0 ! A.287  at 3.61e+05

! L14
assign (resid  14 and name   HG) (resid  14 and name   HN)  3.0  1.2  0.5 ! A.522  at 4.70e+06
assign (resid  14 and name  HB2) (resid  14 and name   HN)  3.0  1.2  0.5 ! A.521  at 8.06e+06
assign (resid  14 and name   HN) (resid  15 and name   HN)  4.0  2.2  1.0 ! A.196  at 2.60e+06
assign (resid  14 and name  HB1) (resid  15 and name   HN)  4.0  2.2  1.0 ! A.198  at 1.11e+06
assign (resid  14 and name   HA) (resid  15 and name   HN)  4.0  2.2  1.0 ! A.285  at 6.62e+05
assign (resid  14 and name HD2#) (resid  15 and name   HN)  4.0  2.2  2.0 ! A.376  at 7.15e+05
assign (resid  14 and name HD1#) (resid  15 and name   HN)  4.0  2.2  2.0 ! B.18   at 1.85e+06
assign (resid  14 and name HD2#) (resid  17 and name   HN)  4.0  2.2  2.0 ! A.377  at 8.69e+05
assign (resid  14 and name   HA) (resid  17 and name   HN)  4.0  2.2  1.0 ! A.95   at 1.12e+06
assign (resid  14 and name   HN) (resid  43 and name  HD#)  4.0  2.2  2.0 ! B.159  at 4.39e+05
assign (resid  14 and name   HN) (resid  43 and name HG2#)  5.0  3.2  2.0 ! B.16   at 2.37e+05
assign (resid  14 and name HD1#) (resid  63 and name   HN)  5.0  3.2  2.0 ! B.108  at 2.53e+05
assign (resid  14 and name HD1#) (resid  66 and name   HN)  5.0  3.2  2.0 ! B.117  at 2.51e+05
assign (resid  14 and name HD1#) (resid  67 and name   HN)  3.0  1.2  1.5 ! A.427  at 3.19e+06
assign (resid  14 and name HD2#) (resid  67 and name   HN)  5.0  3.2  2.0 ! B.123  at 2.58e+05
assign (resid  14 and name HD1#) (resid  68 and name   HN)  4.0  2.2  2.0 ! A.503  at 5.77e+05

! K15
assign (resid  15 and name   HA) (resid  16 and name   HN)  4.0  2.2  1.0 ! A.286  at 1.49e+06
assign (resid  15 and name   HA) (resid  18 and name   HN)  4.0  2.2  1.0 ! A.186  at 1.15e+06
assign (resid  15 and name   HA) (resid  20 and name   HN)  4.0  2.2  1.0 ! A.380  at 7.82e+05
assign (resid  15 and name  HB#) (resid  20 and name   HN)  4.0  2.2  2.0 ! B.27   at 3.98e+05
assign (resid  15 and name   HN) (resid  67 and name  HB#)  4.0  2.2  2.0 ! B.19   at 5.97e+05
assign (resid  15 and name   HN) (resid  70 and name  HE#)  4.0  2.2  2.0 ! A.374  at 7.53e+05

! K16
assign (resid  16 and name   HA) (resid  17 and name   HN)  4.0  2.2  1.0 ! A.94   at 2.30e+06
assign (resid  16 and name  HB#) (resid  17 and name   HN)  3.0  1.2  1.5 ! A.96   at 3.96e+06
assign (resid  16 and name   HN) (resid  17 and name   HN)  3.0  1.2  0.5 ! A.199  at 3.52e+06
assign (resid  16 and name  HG#) (resid  17 and name   HN)  4.0  2.2  2.0 ! B.21   at 4.00e+05
assign (resid  16 and name  HB#) (resid  18 and name   HN)  5.0  3.2  2.0 ! B.22   at 2.03e+05
assign (resid  16 and name   HA) (resid  19 and name   HN)  4.0  2.2  1.0 ! B.25   at 5.42e+05
assign (resid  16 and name   HA) (resid  20 and name   HN)  5.0  3.2  1.0 ! B.26   at 3.71e+05

! A17
assign (resid  17 and name  HB#) (resid  17 and name   HN)  3.0  1.2  1.5 ! A.524  at 7.18e+06
assign (resid  17 and name   HN) (resid  18 and name  HB#)  4.0  2.2  2.0 ! A.378  at 8.33e+05
assign (resid  17 and name  HB#) (resid  18 and name   HN)  3.0  1.2  1.5 ! A.291  at 3.18e+06
assign (resid  17 and name   HA) (resid  18 and name   HN)  4.0  2.2  1.0 ! A.185  at 1.12e+06
assign (resid  17 and name   HA) (resid  19 and name   HN)  5.0  3.2  1.0 ! A.294  at 4.37e+05
assign (resid  17 and name  HB#) (resid  19 and name   HN)  5.0  3.2  2.0 ! A.293  at 4.25e+05

! A18
assign (resid  18 and name  HB#) (resid  18 and name   HN)  3.0  1.2  1.5 ! A.525  at 7.54e+06
assign (resid  18 and name   HN) (resid  19 and name   HN)  3.0  1.2  0.5 ! A.262  at 5.60e+06
assign (resid  18 and name   HN) (resid  19 and name  HA#)  5.0  3.2  2.0 ! A.290  at 3.62e+05
assign (resid  18 and name  HB#) (resid  19 and name   HN)  4.0  2.2  2.0 ! A.264  at 1.48e+06
assign (resid  18 and name   HA) (resid  19 and name   HN)  4.0  2.2  1.0 ! A.263  at 1.75e+06
assign (resid  18 and name   HN) (resid  20 and name HG1#)  5.0  3.2  2.0 ! B.162  at 2.39e+05
assign (resid  18 and name  HB#) (resid  20 and name   HN)  4.0  2.2  2.0 ! B.28   at 8.99e+05
assign (resid  18 and name   HN) (resid  35 and name HG2#)  4.0  2.2  2.0 ! A.379  at 1.35e+06
assign (resid  18 and name   HN) (resid  35 and name  HD#)  5.0  3.2  2.0 ! B.160  at 3.24e+05
assign (resid  18 and name   HN) (resid  72 and name  HD#)  5.0  3.2  2.0 ! B.161  at 2.90e+05

! G19
assign (resid  19 and name   HN) (resid  20 and name   HN)  3.0  1.2  0.5 ! A.181  at 4.65e+06
assign (resid  19 and name  HA#) (resid  20 and name   HN)  3.0  1.2  1.5 ! A.182  at 3.47e+06
assign (resid  19 and name   HN) (resid  20 and name HG1#)  5.0  3.2  2.0 ! B.163  at 2.03e+05
assign (resid  19 and name  HA#) (resid  21 and name   HN)  5.0  3.2  2.0 ! B.30   at 2.73e+05

! I20
assign (resid  20 and name   HB) (resid  20 and name   HN)  3.0  1.2  0.5 ! A.526  at 4.55e+06
assign (resid  20 and name HG2#) (resid  21 and name   HN)  4.0  2.2  2.0 ! A.295  at 2.07e+06
assign (resid  20 and name   HN) (resid  21 and name   HN)  4.0  2.2  1.0 ! A.180  at 2.19e+06
assign (resid  20 and name HG1#) (resid  21 and name   HN)  4.0  2.2  2.0 ! A.23   at 5.26e+05
assign (resid  20 and name   HA) (resid  21 and name   HN)  3.0  1.2  0.5 ! B.29   at 4.92e+06
assign (resid  20 and name   HB) (resid  21 and name   HN)  4.0  2.2  1.0 ! B.31   at 6.51e+05

! E21
assign (resid  21 and name  HB#) (resid  21 and name   HN)  3.0  1.2  1.5 ! A.528  at 4.72e+06
assign (resid  21 and name   HA) (resid  22 and name   HN)  4.0  2.2  1.0 ! A.226  at 1.14e+06
assign (resid  21 and name  HB#) (resid  22 and name   HN)  5.0  3.2  2.0 ! B.33   at 3.03e+05

! S22
assign (resid  22 and name   HA) (resid  23 and name   HN)  4.0  2.2  1.0 ! A.250  at 8.18e+05
assign (resid  22 and name  HB#) (resid  23 and name   HN)  5.0  3.2  2.0 ! B.34   at 2.63e+05

! G23
assign (resid  23 and name  HA#) (resid  24 and name   HN)  4.0  2.2  2.0 ! A.235  at 1.84e+06

! S24
assign (resid  24 and name   HA) (resid  25 and name   HN)  4.0  2.2  1.0 ! A.251  at 2.39e+06
assign (resid  24 and name  HB#) (resid  25 and name   HN)  4.0  2.2  2.0 ! B.35   at 6.06e+05
assign (resid  24 and name   HA) (resid  26 and name   HN)  5.0  3.2  1.0 ! B.37   at 2.72e+05
assign (resid  24 and name  HB#) (resid  26 and name   HN)  5.0  3.2  2.0 ! B.165  at 2.26e+05

! G25
assign (resid  25 and name  HA#) (resid  26 and name   HN)  3.0  1.2  1.5 ! A.297  at 6.89e+06
assign (resid  25 and name   HN) (resid  26 and name   HN)  4.0  2.2  1.0 ! A.477  at 2.09e+06

! E26
assign (resid  26 and name  HB2) (resid  26 and name   HN)  3.0  1.2  0.5 ! A.529  at 5.07e+06
assign (resid  26 and name   HN) (resid  27 and name  HD#)  4.0  2.2  2.0 ! B.38   at 6.60e+05

! P27
assign (resid  27 and name   HA) (resid  28 and name   HN)  3.0  1.2  0.5 ! A.298  at 7.31e+06
assign (resid  27 and name  HB#) (resid  28 and name   HN)  4.0  2.2  2.0 ! A.382  at 7.67e+05
assign (resid  27 and name  HG#) (resid  28 and name   HN)  4.0  2.2  2.0 ! A.383  at 1.03e+06
assign (resid  27 and name  HD#) (resid  28 and name   HN)  4.0  2.2  2.0 ! A.381  at 6.16e+05

! N28
assign (resid  28 and name   HA) (resid  29 and name   HN)  3.0  1.2  0.5 ! A.97   at 5.89e+06
assign (resid  28 and name  HB#) (resid  29 and name   HN)  4.0  2.2  2.0 ! A.300  at 7.51e+05

! R29
assign (resid  29 and name   HA) (resid  30 and name   HN)  3.0  1.2  0.5 ! A.174  at 3.15e+06

! N30
assign (resid  30 and name  HB#) (resid  30 and name   HN)  4.0  2.2  2.0 ! A.530  at 1.68e+06
assign (resid  30 and name   HN) (resid  31 and name   HN)  4.0  2.2  1.0 ! A.173  at 1.39e+06
assign (resid  30 and name  HB#) (resid  31 and name   HN)  4.0  2.2  2.0 ! A.105  at 7.13e+05
assign (resid  30 and name   HA) (resid  31 and name   HN)  3.0  1.2  0.5 ! A.104  at 4.78e+06
assign (resid  30 and name  HB#) (resid  32 and name   HN)  5.0  3.2  2.0 ! B.39   at 2.61e+05

! K31
assign (resid  31 and name  HG#) (resid  32 and name   HN)  4.0  2.2  2.0 ! A.51   at 9.33e+05
assign (resid  31 and name  HB#) (resid  32 and name   HN)  4.0  2.2  2.0 ! A.385  at 1.26e+06
assign (resid  31 and name   HN) (resid  32 and name   HN)  4.0  2.2  1.0 ! A.103  at 1.02e+06
assign (resid  31 and name   HA) (resid  32 and name   HN)  2.5  0.7  0.4 ! A.50   at 1.17e+07

! V32
assign (resid  32 and name   HB) (resid  32 and name   HN)  3.0  1.2  0.5 ! A.532  at 5.16e+06
assign (resid  32 and name   HN) (resid  33 and name   HN)  4.0  2.2  1.0 ! A.46   at 1.05e+06
assign (resid  32 and name   HB) (resid  33 and name   HN)  4.0  2.2  1.0 ! A.3    at 1.44e+06
assign (resid  32 and name   HA) (resid  33 and name   HN)  2.5  0.7  0.4 ! A.1    at 1.77e+07
assign (resid  32 and name HG1#) (resid  33 and name   HN)  3.0  1.2  1.5 ! A.4    at 3.31e+06

! A33
assign (resid  33 and name  HB#) (resid  33 and name   HN)  2.5  0.7  1.4 ! A.533  at 8.91e+06
assign (resid  33 and name   HA) (resid  34 and name   HN)  2.5  0.7  0.4 ! A.244  at 1.66e+07
assign (resid  33 and name  HB#) (resid  34 and name   HN)  3.0  1.2  1.5 ! A.245  at 3.75e+06
assign (resid  33 and name   HN) (resid  72 and name HG2#)  5.0  3.2  2.0 ! B.209  at 2.26e+05
assign (resid  33 and name  HB#) (resid  73 and name   HN)  4.0  2.2  2.0 ! A.430  at 8.83e+05

! T34
assign (resid  34 and name HG2#) (resid  35 and name   HN)  4.0  2.2  2.0 ! A.152  at 1.82e+06
assign (resid  34 and name   HB) (resid  35 and name   HN)  3.0  1.2  0.5 ! A.151  at 3.68e+06
assign (resid  34 and name   HA) (resid  35 and name   HN)  2.5  0.7  0.4 ! A.150  at 1.02e+07
assign (resid  34 and name   HN) (resid  35 and name   HN)  4.0  2.2  1.0 ! A.243  at 5.53e+05
assign (resid  34 and name   HN) (resid  72 and name HG2#)  4.0  2.2  2.0 ! A.303  at 7.06e+05
assign (resid  34 and name   HA) (resid  73 and name   HN)  3.0  1.2  0.5 ! A.5    at 3.15e+06
assign (resid  34 and name HG2#) (resid  75 and name   HN)  4.0  2.2  2.0 ! A.432  at 5.45e+05
assign (resid  34 and name   HB) (resid  75 and name   HN)  4.0  2.2  1.0 ! A.509  at 5.10e+05

! I35
assign (resid  35 and name HG2#) (resid  36 and name   HN)  4.0  2.2  2.0 ! A.40   at 1.24e+06
assign (resid  35 and name   HA) (resid  36 and name   HN)  2.5  0.7  0.4 ! A.38   at 1.13e+07
assign (resid  35 and name HG1#) (resid  36 and name   HN)  4.0  2.2  2.0 ! A.39   at 1.66e+06
assign (resid  35 and name  HD#) (resid  36 and name   HN)  5.0  3.2  2.0 ! B.167  at 3.17e+05
assign (resid  35 and name HG2#) (resid  40 and name   HN)  4.0  2.2  2.0 ! A.580  at 7.83e+05
assign (resid  35 and name  HD#) (resid  40 and name   HN)  4.0  2.2  2.0 ! B.169  at 4.22e+05
assign (resid  35 and name   HN) (resid  72 and name HG2#)  4.0  2.2  2.0 ! A.386  at 1.64e+06
assign (resid  35 and name   HN) (resid  73 and name   HB)  4.0  2.2  1.0 ! A.387  at 5.13e+05
assign (resid  35 and name   HN) (resid  73 and name HG1#)  5.0  3.2  2.0 ! A.388  at 4.15e+05
assign (resid  35 and name   HN) (resid  74 and name   HA)  4.0  2.2  1.0 ! B.41   at 1.03e+06
assign (resid  35 and name HG2#) (resid  75 and name   HN)  4.0  2.2  2.0 ! B.201  at 5.48e+05
assign (resid  35 and name   HN) (resid  75 and name  HG#)  5.0  3.2  2.0 ! B.166  at 2.25e+05

! K36
assign (resid  36 and name  HG#) (resid  36 and name   HN)  3.0  1.2  1.5 ! A.538  at 5.82e+06
assign (resid  36 and name  HB2) (resid  36 and name   HN)  3.0  1.2  0.5 ! A.537  at 4.68e+06
assign (resid  36 and name  HB1) (resid  37 and name   HN)  3.0  1.2  0.5 ! A.32   at 2.85e+06
assign (resid  36 and name   HA) (resid  37 and name   HN)  2.5  0.7  0.4 ! A.31   at 1.34e+07
assign (resid  36 and name   HN) (resid  37 and name   HN)  5.0  3.2  1.0 ! A.37   at 3.64e+05
assign (resid  36 and name  HG#) (resid  37 and name   HN)  4.0  2.2  2.0 ! B.44   at 4.59e+05
assign (resid  36 and name   HA) (resid  38 and name   HN)  4.0  2.2  1.0 ! A.205  at 8.24e+05
assign (resid  36 and name  HB1) (resid  38 and name   HN)  3.0  1.2  0.5 ! A.391  at 4.86e+06
assign (resid  36 and name  HG#) (resid  38 and name   HN)  4.0  2.2  2.0 ! B.45   at 5.17e+05
assign (resid  36 and name   HN) (resid  39 and name  HB#)  4.0  2.2  2.0 ! B.42   at 9.26e+05
assign (resid  36 and name  HB#) (resid  39 and name   HN)  4.0  2.2  2.0 ! B.48   at 1.46e+06
assign (resid  36 and name   HA) (resid  75 and name   HN)  3.0  1.2  0.5 ! A.12   at 2.88e+06

! R37
assign (resid  37 and name  HB2) (resid  37 and name   HN)  3.0  1.2  0.5 ! A.539  at 7.27e+06
assign (resid  37 and name   HN) (resid  38 and name   HN)  3.0  1.2  0.5 ! A.29   at 4.54e+06
assign (resid  37 and name   HN) (resid  38 and name   HA)  4.0  2.2  1.0 ! A.33   at 1.68e+06
assign (resid  37 and name  HB1) (resid  38 and name   HN)  3.0  1.2  0.5 ! A.314  at 3.82e+06
assign (resid  37 and name  HB2) (resid  38 and name   HN)  3.0  1.2  0.5 ! A.315  at 3.09e+06
assign (resid  37 and name  HG#) (resid  38 and name   HN)  4.0  2.2  2.0 ! A.316  at 1.58e+06
assign (resid  37 and name   HA) (resid  38 and name   HN)  4.0  2.2  1.0 ! A.206  at 1.13e+06
assign (resid  37 and name  HB#) (resid  39 and name   HN)  4.0  2.2  2.0 ! B.50   at 6.19e+05
assign (resid  37 and name   HN) (resid  40 and name HG1#)  4.0  2.2  2.0 ! A.389  at 5.26e+05
assign (resid  37 and name   HA) (resid  40 and name   HN)  4.0  2.2  1.0 ! A.121  at 2.40e+06
assign (resid  37 and name   HA) (resid  41 and name   HN)  4.0  2.2  1.0 ! A.124  at 8.05e+05
assign (resid  37 and name   HN) (resid  74 and name HG1#)  4.0  2.2  2.0 ! A.308  at 1.85e+06
assign (resid  37 and name   HE) (resid  74 and name HG1#)  4.0  2.2  2.0 ! A.582  at -9.76e+05
assign (resid  37 and name  HG#) (resid  75 and name   HN)  4.0  2.2  2.0 ! A.433  at 5.02e+05
assign (resid  37 and name  HG#) (resid  76 and name   HN)  5.0  3.2  2.0 ! B.146  at 3.04e+05

! D38
assign (resid  38 and name  HB#) (resid  39 and name   HN)  4.0  2.2  2.0 ! B.47   at 9.29e+05
assign (resid  38 and name   HA) (resid  39 and name   HN)  4.0  2.2  1.0 ! A.120  at 8.16e+05
assign (resid  38 and name   HN) (resid  39 and name   HN)  3.0  1.2  0.5 ! A.204  at 6.18e+06
assign (resid  38 and name   HN) (resid  39 and name  HB#)  5.0  3.2  2.0 ! B.168  at 3.67e+05
assign (resid  38 and name   HA) (resid  41 and name   HN)  4.0  2.2  1.0 ! B.151  at 1.20e+06

! K39
assign (resid  39 and name  HB#) (resid  39 and name   HN)  3.0  1.2  1.5 ! A.540  at 5.56e+06
assign (resid  39 and name   HA) (resid  42 and name   HN)  4.0  2.2  1.0 ! B.152  at 1.66e+06
assign (resid  39 and name   HA) (resid  43 and name   HN)  5.0  3.2  1.0 ! B.57   at 3.31e+05
assign (resid  39 and name  HD#) (resid  43 and name   HN)  5.0  3.2  2.0 ! B.171  at 3.33e+05

! V40
assign (resid  40 and name   HB) (resid  40 and name   HN)  3.0  1.2  0.5 ! A.541  at 6.93e+06
assign (resid  40 and name   HA) (resid  41 and name   HN)  4.0  2.2  1.0 ! B.51   at 5.24e+05
assign (resid  40 and name   HN) (resid  41 and name   HN)  3.0  1.2  0.5 ! A.122  at 8.23e+06
assign (resid  40 and name HG1#) (resid  41 and name   HN)  4.0  2.2  2.0 ! A.393  at 1.78e+06
assign (resid  40 and name   HB) (resid  41 and name   HN)  3.0  1.2  0.5 ! A.125  at 5.15e+06
assign (resid  40 and name HG2#) (resid  41 and name   HN)  4.0  2.2  2.0 ! B.52   at 8.08e+05
assign (resid  40 and name   HA) (resid  43 and name   HN)  4.0  2.2  1.0 ! B.153  at 5.99e+05
assign (resid  40 and name   HA) (resid  44 and name   HN)  4.0  2.2  1.0 ! A.62   at 8.00e+05
assign (resid  40 and name HG1#) (resid  63 and name   HN)  5.0  3.2  2.0 ! B.193  at 3.84e+05
assign (resid  40 and name HG1#) (resid  64 and name   HN)  4.0  2.2  2.0 ! B.194  at 8.56e+05

! R41
assign (resid  41 and name  HB1) (resid  41 and name   HN)  3.0  1.2  0.5 ! A.542  at 7.14e+06
assign (resid  41 and name  HB2) (resid  41 and name   HN)  3.0  1.2  0.5 ! A.543  at 6.98e+06
assign (resid  41 and name   HA) (resid  42 and name   HN)  4.0  2.2  1.0 ! A.162  at 9.45e+05
assign (resid  41 and name  HB1) (resid  42 and name   HN)  3.0  1.2  0.5 ! A.447  at 4.39e+06
assign (resid  41 and name   HN) (resid  42 and name   HN)  3.0  1.2  0.5 ! A.160  at 4.08e+06
assign (resid  41 and name  HG#) (resid  42 and name   HN)  4.0  2.2  2.0 ! B.55   at 7.38e+05
assign (resid  41 and name  HB#) (resid  42 and name   HN)  3.0  1.2  1.5 ! B.54   at 3.91e+06
assign (resid  41 and name   HA) (resid  44 and name   HN)  4.0  2.2  1.0 ! B.155  at 9.44e+05
assign (resid  41 and name   HN) (resid  60 and name  HE#)  4.0  2.2  2.0 ! B.170  at 1.19e+06

! E42
assign (resid  42 and name  HB#) (resid  42 and name   HN)  2.5  0.7  1.4 ! A.544  at 8.45e+06
assign (resid  42 and name   HA) (resid  43 and name   HN)  4.0  2.2  1.0 ! B.154  at 7.06e+05
assign (resid  42 and name  HB#) (resid  43 and name   HN)  3.0  1.2  1.5 ! A.137  at 3.48e+06
assign (resid  42 and name   HN) (resid  43 and name   HN)  3.0  1.2  0.5 ! A.159  at 3.38e+06
assign (resid  42 and name  HG#) (resid  43 and name   HN)  4.0  2.2  2.0 ! B.58   at 5.71e+05
assign (resid  42 and name   HA) (resid  45 and name   HN)  4.0  2.2  1.0 ! A.232  at 1.42e+06

! I43
assign (resid  43 and name   HB) (resid  43 and name   HN)  3.0  1.2  0.5 ! A.546  at 7.13e+06
assign (resid  43 and name HG1#) (resid  43 and name   HN)  3.0  1.2  1.5 ! A.545  at 5.83e+06
assign (resid  43 and name HG1#) (resid  44 and name   HN)  4.0  2.2  2.0 ! A.325  at 6.05e+05
assign (resid  43 and name   HN) (resid  44 and name   HN)  3.0  1.2  0.5 ! A.133  at 3.56e+06
assign (resid  43 and name   HB) (resid  44 and name   HN)  3.0  1.2  0.5 ! A.63   at 4.92e+06
assign (resid  43 and name HG2#) (resid  44 and name   HN)  4.0  2.2  2.0 ! A.323  at 1.76e+06
assign (resid  43 and name  HD#) (resid  44 and name   HN)  4.0  2.2  2.0 ! A.322  at 1.16e+06
assign (resid  43 and name   HN) (resid  44 and name  HB#)  5.0  3.2  2.0 ! B.60   at 3.53e+05
assign (resid  43 and name   HA) (resid  44 and name   HN)  4.0  2.2  1.0 ! B.62   at 4.90e+05
assign (resid  43 and name   HA) (resid  46 and name   HN)  4.0  2.2  1.0 ! B.157  at 8.23e+05
assign (resid  43 and name HG2#) (resid  47 and name   HN)  4.0  2.2  2.0 ! A.328  at 1.18e+06

! A44
assign (resid  44 and name  HB#) (resid  44 and name   HN)  2.5  0.7  1.4 ! A.547  at 1.05e+07
assign (resid  44 and name   HN) (resid  45 and name   HN)  3.0  1.2  0.5 ! A.230  at 3.79e+06
assign (resid  44 and name   HN) (resid  45 and name  HB#)  4.0  2.2  2.0 ! A.394  at 1.00e+06
assign (resid  44 and name  HB#) (resid  45 and name   HN)  3.0  1.2  1.5 ! A.234  at 5.04e+06
assign (resid  44 and name   HA) (resid  45 and name   HN)  4.0  2.2  1.0 ! B.156  at 5.45e+05
assign (resid  44 and name   HN) (resid  46 and name   HN)  4.0  2.2  1.0 ! A.321  at 9.80e+05
assign (resid  44 and name  HB#) (resid  46 and name   HN)  5.0  3.2  2.0 ! B.67   at 3.16e+05
assign (resid  44 and name   HA) (resid  47 and name   HN)  4.0  2.2  1.0 ! A.249  at 1.55e+06
assign (resid  44 and name  HB#) (resid  48 and name   HN)  5.0  3.2  2.0 ! A.550  at 3.84e+05
assign (resid  44 and name   HA) (resid  48 and name   HN)  5.0  3.2  1.0 ! B.71   at 3.77e+05
assign (resid  44 and name  HB#) (resid  60 and name   HN)  3.0  1.2  1.5 ! A.418  at 3.39e+06
assign (resid  44 and name  HB#) (resid  61 and name   HN)  5.0  3.2  2.0 ! A.497  at 3.85e+05
assign (resid  44 and name   HN) (resid  63 and name HG1#)  5.0  3.2  2.0 ! B.63   at 3.73e+05
assign (resid  44 and name  HB#) (resid  63 and name   HN)  4.0  2.2  2.0 ! A.422  at 6.68e+05

! E45
assign (resid  45 and name   HA) (resid  46 and name   HN)  4.0  2.2  1.0 ! A.165  at 1.31e+06
assign (resid  45 and name   HN) (resid  46 and name   HN)  3.0  1.2  0.5 ! A.231  at 4.80e+06
assign (resid  45 and name   HN) (resid  46 and name  HB#)  4.0  2.2  2.0 ! B.64   at 4.11e+05
assign (resid  45 and name  HB#) (resid  46 and name   HN)  3.0  1.2  1.5 ! B.66   at 4.03e+06
assign (resid  45 and name  HG#) (resid  46 and name   HN)  4.0  2.2  2.0 ! B.65   at 7.12e+05
assign (resid  45 and name   HA) (resid  48 and name   HN)  4.0  2.2  1.0 ! A.86   at 9.97e+05
assign (resid  45 and name   HN) (resid  56 and name  HD#)  4.0  2.2  2.0 ! A.327  at 1.67e+06

! L46
assign (resid  46 and name   HN) (resid  47 and name   HN)  3.0  1.2  0.5 ! A.247  at 3.87e+06
assign (resid  46 and name   HA) (resid  47 and name   HN)  4.0  2.2  1.0 ! A.248  at 1.10e+06
assign (resid  46 and name  HB#) (resid  47 and name   HN)  4.0  2.2  2.0 ! B.68   at 1.92e+06
assign (resid  46 and name  HG#) (resid  47 and name   HN)  4.0  2.2  2.0 ! B.70   at 4.17e+05
assign (resid  46 and name  HG#) (resid  48 and name   HN)  5.0  3.2  2.0 ! B.174  at 1.66e+05
assign (resid  46 and name  HB#) (resid  48 and name   HN)  5.0  3.2  2.0 ! B.72   at 3.63e+05

! K47
assign (resid  47 and name   HN) (resid  48 and name   HN)  3.0  1.2  0.5 ! A.246  at 4.59e+06
assign (resid  47 and name  HB1) (resid  48 and name   HN)  4.0  2.2  1.0 ! A.399  at 7.00e+05
assign (resid  47 and name   HA) (resid  48 and name   HN)  4.0  2.2  1.0 ! A.85   at 1.16e+06
assign (resid  47 and name  HD#) (resid  48 and name   HN)  4.0  2.2  2.0 ! A.397  at 1.23e+06
assign (resid  47 and name   HN) (resid  49 and name  HD#)  5.0  3.2  2.0 ! B.69   at 2.89e+05
assign (resid  47 and name  HB2) (resid  50 and name   HN)  4.0  2.2  1.0 ! A.401  at 1.49e+06
assign (resid  47 and name   HA) (resid  50 and name   HN)  4.0  2.2  1.0 ! A.221  at 1.73e+06
assign (resid  47 and name  HB#) (resid  51 and name   HN)  5.0  3.2  2.0 ! B.176  at 3.15e+05

! M48
assign (resid  48 and name  HB#) (resid  48 and name   HN)  3.0  1.2  1.5 ! A.549  at 7.15e+06
assign (resid  48 and name   HN) (resid  49 and name  HD#)  3.0  1.2  1.5 ! A.87   at 4.26e+06
assign (resid  48 and name   HN) (resid  49 and name  HG#)  5.0  3.2  2.0 ! B.173  at 2.08e+05
assign (resid  48 and name   HN) (resid  51 and name HD##)  4.0  2.2  2.0 ! A.398  at 7.55e+05
assign (resid  48 and name   HA) (resid  51 and name   HN)  4.0  2.2  1.0 ! A.193  at 8.16e+05
assign (resid  48 and name  HG#) (resid  53 and name   HN)  5.0  3.2  2.0 ! B.80   at 3.87e+05
assign (resid  48 and name   HA) (resid  53 and name   HN)  4.0  2.2  1.0 ! A.406  at 6.48e+05
assign (resid  48 and name  HE#) (resid  55 and name   HN)  4.0  2.2  2.0 ! B.181  at 5.80e+05
assign (resid  48 and name  HE#) (resid  56 and name   HN)  4.0  2.2  2.0 ! B.182  at 6.03e+05
assign (resid  48 and name   HN) (resid  59 and name  HB#)  4.0  2.2  2.0 ! A.400  at 7.28e+05

! P49
assign (resid  49 and name  HB#) (resid  50 and name   HN)  4.0  2.2  2.0 ! A.331  at 5.05e+05
assign (resid  49 and name  HG#) (resid  50 and name   HN)  4.0  2.2  2.0 ! A.333  at 1.13e+06
assign (resid  49 and name  HD#) (resid  50 and name   HN)  4.0  2.2  2.0 ! A.222  at 2.73e+06
assign (resid  49 and name   HA) (resid  50 and name   HN)  4.0  2.2  1.0 ! B.73   at 7.27e+05
assign (resid  49 and name   HA) (resid  51 and name   HN)  4.0  2.2  1.0 ! A.403  at 8.49e+05
assign (resid  49 and name   HA) (resid  52 and name   HN)  5.0  3.2  1.0 ! B.78   at 3.49e+05

! D50
assign (resid  50 and name  HB2) (resid  50 and name   HN)  3.0  1.2  0.5 ! A.551  at 5.14e+06
assign (resid  50 and name  HB1) (resid  51 and name   HN)  4.0  2.2  1.0 ! A.194  at 8.55e+05
assign (resid  50 and name   HN) (resid  51 and name   HN)  3.0  1.2  0.5 ! A.220  at 5.39e+06
assign (resid  50 and name  HB2) (resid  51 and name   HN)  4.0  2.2  1.0 ! A.195  at 1.48e+06
assign (resid  50 and name   HA) (resid  51 and name   HN)  4.0  2.2  1.0 ! A.192  at 8.70e+05

! L51
assign (resid  51 and name  HB#) (resid  51 and name   HN)  3.0  1.2  1.5 ! A.552  at 7.76e+06
assign (resid  51 and name   HN) (resid  52 and name   HA)  4.0  2.2  1.0 ! A.402  at 5.32e+05
assign (resid  51 and name   HN) (resid  52 and name   HN)  3.0  1.2  0.5 ! A.236  at 4.33e+06
assign (resid  51 and name  HB#) (resid  52 and name   HN)  4.0  2.2  2.0 ! A.239  at 2.28e+06
assign (resid  51 and name   HA) (resid  52 and name   HN)  4.0  2.2  1.0 ! A.238  at 2.67e+06
assign (resid  51 and name HD##) (resid  52 and name   HN)  5.0  3.2  2.0 ! B.178  at 2.31e+05
assign (resid  51 and name  HB#) (resid  53 and name   HN)  4.0  2.2  2.0 ! A.408  at 1.79e+06
assign (resid  51 and name   HN) (resid  53 and name  HB#)  5.0  3.2  2.0 ! A.404  at 4.02e+05
assign (resid  51 and name HD##) (resid  53 and name   HN)  5.0  3.2  2.0 ! B.81   at 3.66e+05
assign (resid  51 and name HD##) (resid  62 and name   HN)  5.0  3.2  2.0 ! B.212  at 2.63e+05

! N52
assign (resid  52 and name  HB#) (resid  53 and name   HN)  5.0  3.2  2.0 ! A.145  at 4.99e+05
assign (resid  52 and name   HA) (resid  53 and name   HN)  3.0  1.2  0.5 ! A.407  at 4.97e+06
assign (resid  52 and name   HN) (resid  53 and name   HN)  3.0  1.2  0.5 ! A.237  at 3.54e+06
assign (resid  52 and name   HN) (resid  53 and name  HB#)  5.0  3.2  2.0 ! A.487  at 4.52e+05

! A53
assign (resid  53 and name  HB#) (resid  53 and name   HN)  3.0  1.2  1.5 ! A.554  at 5.94e+06
assign (resid  53 and name   HA) (resid  54 and name   HN)  2.5  0.7  0.4 ! A.66   at 9.74e+06
assign (resid  53 and name  HB#) (resid  54 and name   HN)  4.0  2.2  2.0 ! B.83   at 1.44e+06
assign (resid  53 and name   HA) (resid  55 and name   HN)  4.0  2.2  1.0 ! A.339  at 8.36e+05
assign (resid  53 and name  HB#) (resid  55 and name   HN)  4.0  2.2  2.0 ! B.85   at 1.81e+06
assign (resid  53 and name  HB#) (resid  58 and name   HN)  4.0  2.2  2.0 ! A.413  at 1.13e+06
assign (resid  53 and name   HN) (resid  58 and name  HB#)  5.0  3.2  2.0 ! B.179  at 2.16e+05
assign (resid  53 and name  HB#) (resid  59 and name   HN)  4.0  2.2  2.0 ! B.94   at 1.94e+06

! A54
assign (resid  54 and name  HB#) (resid  54 and name   HN)  2.5  0.7  1.4 ! A.555  at 9.31e+06
assign (resid  54 and name   HN) (resid  55 and name   HN)  3.0  1.2  0.5 ! A.255  at 3.00e+06
assign (resid  54 and name  HB#) (resid  55 and name   HN)  3.0  1.2  1.5 ! A.341  at 4.54e+06
assign (resid  54 and name   HA) (resid  55 and name   HN)  4.0  2.2  1.0 ! B.84   at 9.03e+05
assign (resid  54 and name   HN) (resid  58 and name  HB#)  4.0  2.2  2.0 ! A.338  at 1.89e+06

! S55
assign (resid  55 and name  HB2) (resid  56 and name   HN)  3.0  1.2  0.5 ! A.43   at 3.53e+06
assign (resid  55 and name   HA) (resid  56 and name   HN)  3.0  1.2  0.5 ! A.42   at 7.98e+06
assign (resid  55 and name  HB1) (resid  56 and name   HN)  3.0  1.2  0.5 ! A.45   at 2.85e+06
assign (resid  55 and name  HB2) (resid  57 and name   HN)  3.0  1.2  0.5 ! A.55   at 4.05e+06
assign (resid  55 and name   HA) (resid  57 and name   HN)  4.0  2.2  1.0 ! A.342  at 8.90e+05
assign (resid  55 and name  HB2) (resid  58 and name   HN)  4.0  2.2  1.0 ! A.412  at 1.06e+06
assign (resid  55 and name   HN) (resid  58 and name   HN)  4.0  2.2  1.0 ! A.256  at 8.13e+05
assign (resid  55 and name   HN) (resid  58 and name  HB#)  3.0  1.2  1.5 ! A.340  at 6.04e+06
assign (resid  55 and name   HN) (resid  59 and name   HN)  4.0  2.2  1.0 ! A.346  at 6.18e+05

! I56
assign (resid  56 and name   HB) (resid  56 and name   HN)  3.0  1.2  0.5 ! A.557  at 6.27e+06
assign (resid  56 and name   HN) (resid  57 and name   HN)  3.0  1.2  0.5 ! A.52   at 3.45e+06
assign (resid  56 and name   HA) (resid  57 and name   HN)  4.0  2.2  1.0 ! A.54   at 1.58e+06
assign (resid  56 and name HG2#) (resid  57 and name   HN)  3.0  1.2  1.5 ! A.58   at 4.11e+06
assign (resid  56 and name HG1#) (resid  57 and name   HN)  5.0  3.2  2.0 ! A.491  at 4.99e+05
assign (resid  56 and name  HD#) (resid  57 and name   HN)  5.0  3.2  2.0 ! B.184  at 2.01e+05
assign (resid  56 and name   HA) (resid  58 and name   HN)  5.0  3.2  1.0 ! B.91   at 2.42e+05
assign (resid  56 and name HG2#) (resid  59 and name   HN)  4.0  2.2  2.0 ! A.493  at 6.36e+05
assign (resid  56 and name   HB) (resid  59 and name   HN)  4.0  2.2  1.0 ! A.494  at 6.31e+05
assign (resid  56 and name   HA) (resid  59 and name   HN)  2.5  0.7  0.4 ! A.414  at 8.61e+06
assign (resid  56 and name HG2#) (resid  60 and name   HN)  4.0  2.2  2.0 ! A.495  at 9.22e+05
assign (resid  56 and name   HA) (resid  60 and name   HN)  5.0  3.2  1.0 ! B.95   at 3.72e+05
assign (resid  56 and name  HD#) (resid  60 and name   HN)  5.0  3.2  2.0 ! B.188  at 2.36e+05

! E57
assign (resid  57 and name  HB2) (resid  57 and name   HN)  3.0  1.2  0.5 ! A.558  at 6.76e+06
assign (resid  57 and name   HN) (resid  58 and name   HN)  3.0  1.2  0.5 ! A.67   at 4.44e+06
assign (resid  57 and name   HN) (resid  58 and name  HB#)  4.0  2.2  2.0 ! A.490  at 5.36e+05
assign (resid  57 and name  HB2) (resid  58 and name   HN)  3.0  1.2  0.5 ! A.73   at 3.36e+06
assign (resid  57 and name  HB1) (resid  58 and name   HN)  4.0  2.2  1.0 ! A.74   at 2.48e+06
assign (resid  57 and name   HA) (resid  58 and name   HN)  4.0  2.2  1.0 ! A.72   at 1.97e+06
assign (resid  57 and name  HG#) (resid  58 and name   HN)  4.0  2.2  2.0 ! B.92   at 5.42e+05
assign (resid  57 and name   HA) (resid  59 and name   HN)  5.0  3.2  1.0 ! B.93   at 3.27e+05
assign (resid  57 and name   HA) (resid  60 and name   HN)  4.0  2.2  1.0 ! A.178  at 2.06e+06
assign (resid  57 and name   HN) (resid  60 and name  HB#)  5.0  3.2  2.0 ! B.88   at 2.33e+05
assign (resid  57 and name   HN) (resid  60 and name  HE#)  5.0  3.2  2.0 ! B.183  at 2.15e+05
assign (resid  57 and name   HA) (resid  61 and name   HN)  4.0  2.2  1.0 ! A.496  at 5.90e+05

! A58
assign (resid  58 and name  HB#) (resid  58 and name   HN)  2.5  0.7  1.4 ! A.560  at 1.18e+07
assign (resid  58 and name   HN) (resid  59 and name   HN)  2.5  0.7  0.4 ! A.99   at 9.15e+06
assign (resid  58 and name  HB#) (resid  59 and name   HN)  3.0  1.2  1.5 ! A.100  at 7.98e+06
assign (resid  58 and name  HB#) (resid  61 and name   HN)  4.0  2.2  2.0 ! B.101  at 6.43e+05

! A59
assign (resid  59 and name  HB#) (resid  59 and name   HN)  2.5  0.7  1.4 ! A.561  at 1.28e+07
assign (resid  59 and name   HN) (resid  60 and name  HB#)  4.0  2.2  2.0 ! A.415  at 5.74e+05
assign (resid  59 and name   HN) (resid  60 and name   HN)  3.0  1.2  0.5 ! A.175  at 4.97e+06
assign (resid  59 and name   HA) (resid  60 and name   HN)  4.0  2.2  1.0 ! A.177  at 2.27e+06
assign (resid  59 and name  HB#) (resid  60 and name   HN)  3.0  1.2  1.5 ! A.179  at 5.69e+06
assign (resid  59 and name   HN) (resid  61 and name   HN)  4.0  2.2  1.0 ! A.344  at 8.86e+05
assign (resid  59 and name   HA) (resid  61 and name   HN)  4.0  2.2  1.0 ! B.100  at 1.50e+06
assign (resid  59 and name  HB#) (resid  62 and name   HN)  5.0  3.2  2.0 ! A.500  at 4.04e+05
assign (resid  59 and name   HA) (resid  62 and name   HN)  4.0  2.2  1.0 ! B.102  at 1.45e+06
assign (resid  59 and name   HA) (resid  63 and name   HN)  5.0  3.2  1.0 ! B.105  at 3.34e+05

! M60
assign (resid  60 and name  HE#) (resid  60 and name   HN)  5.0  3.2  2.0 ! B.186  at 3.66e+05
assign (resid  60 and name   HA) (resid  61 and name   HN)  4.0  2.2  1.0 ! A.188  at 9.36e+05
assign (resid  60 and name   HN) (resid  61 and name   HN)  3.0  1.2  0.5 ! A.187  at 3.94e+06
assign (resid  60 and name  HB#) (resid  61 and name   HN)  3.0  1.2  1.5 ! A.189  at 3.83e+06
assign (resid  60 and name   HN) (resid  61 and name  HG#)  5.0  3.2  2.0 ! B.97   at 2.56e+05
assign (resid  60 and name   HN) (resid  61 and name  HB#)  5.0  3.2  2.0 ! B.98   at 2.60e+05
assign (resid  60 and name   HA) (resid  63 and name   HN)  3.0  1.2  0.5 ! A.109  at 3.36e+06

! R61
assign (resid  61 and name  HG#) (resid  62 and name   HN)  4.0  2.2  2.0 ! B.103  at 7.08e+05
assign (resid  61 and name  HB#) (resid  62 and name   HN)  4.0  2.2  2.0 ! A.131  at 2.31e+06
assign (resid  61 and name   HA) (resid  62 and name   HN)  3.0  1.2  0.5 ! A.129  at 2.99e+06
assign (resid  61 and name   HA) (resid  64 and name   HN)  4.0  2.2  1.0 ! A.91   at 1.76e+06
assign (resid  61 and name  HG#) (resid  65 and name   HN)  5.0  3.2  2.0 ! B.195  at 2.29e+05

! M62
assign (resid  62 and name  HG#) (resid  62 and name   HN)  3.0  1.2  1.5 ! A.562  at 4.94e+06
assign (resid  62 and name  HB2) (resid  62 and name   HN)  3.0  1.2  0.5 ! A.563  at 4.94e+06
assign (resid  62 and name  HE#) (resid  62 and name   HN)  5.0  3.2  2.0 ! B.192  at 2.59e+05
assign (resid  62 and name   HN) (resid  63 and name   HN)  3.0  1.2  0.5 ! A.128  at 3.67e+06
assign (resid  62 and name  HB2) (resid  63 and name   HN)  3.0  1.2  0.5 ! A.420  at 3.44e+06
assign (resid  62 and name   HA) (resid  63 and name   HN)  4.0  2.2  1.0 ! A.108  at 1.24e+06
assign (resid  62 and name   HN) (resid  63 and name   HB)  5.0  3.2  1.0 ! B.189  at 1.98e+05
assign (resid  62 and name   HN) (resid  64 and name   HN)  4.0  2.2  1.0 ! A.498  at 5.22e+05
assign (resid  62 and name  HB#) (resid  64 and name   HN)  5.0  3.2  2.0 ! B.111  at 3.20e+05
assign (resid  62 and name   HA) (resid  65 and name   HN)  4.0  2.2  1.0 ! A.259  at 1.60e+06
assign (resid  62 and name   HA) (resid  66 and name   HN)  5.0  3.2  1.0 ! B.120  at 2.55e+05

! I63
assign (resid  63 and name   HB) (resid  63 and name   HN)  3.0  1.2  0.5 ! A.564  at 7.89e+06
assign (resid  63 and name HG2#) (resid  64 and name   HN)  4.0  2.2  2.0 ! A.350  at 2.65e+06
assign (resid  63 and name   HN) (resid  64 and name   HN)  3.0  1.2  0.5 ! A.106  at 4.42e+06
assign (resid  63 and name HG1#) (resid  64 and name   HN)  4.0  2.2  2.0 ! B.112  at 4.17e+05
assign (resid  63 and name   HA) (resid  64 and name   HN)  5.0  3.2  1.0 ! B.109  at 3.43e+05
assign (resid  63 and name   HB) (resid  64 and name   HN)  4.0  2.2  1.0 ! B.110  at 1.69e+06
assign (resid  63 and name   HN) (resid  64 and name  HB#)  5.0  3.2  2.0 ! B.106  at 2.36e+05
assign (resid  63 and name   HA) (resid  66 and name   HN)  4.0  2.2  1.0 ! A.77   at 1.96e+06
assign (resid  63 and name HG2#) (resid  66 and name   HN)  5.0  3.2  2.0 ! B.196  at 2.23e+05
assign (resid  63 and name HG2#) (resid  67 and name   HN)  5.0  3.2  2.0 ! B.124  at 2.14e+05
assign (resid  63 and name   HA) (resid  67 and name   HN)  4.0  2.2  1.0 ! B.122  at 4.33e+05

! E64
assign (resid  64 and name   HN) (resid  65 and name   HN)  3.0  1.2  0.5 ! A.258  at 3.36e+06
assign (resid  64 and name  HB#) (resid  65 and name   HN)  4.0  2.2  2.0 ! A.261  at 2.70e+06
assign (resid  64 and name   HA) (resid  65 and name   HN)  4.0  2.2  1.0 ! A.260  at 1.47e+06
assign (resid  64 and name  HG#) (resid  65 and name   HN)  4.0  2.2  2.0 ! B.114  at 4.62e+05
assign (resid  64 and name  HB#) (resid  66 and name   HN)  5.0  3.2  2.0 ! B.118  at 1.91e+05
assign (resid  64 and name   HA) (resid  67 and name   HN)  3.0  1.2  0.5 ! A.426  at 4.13e+06
assign (resid  64 and name   HN) (resid  67 and name  HB#)  4.0  2.2  2.0 ! A.501  at 5.69e+05
assign (resid  64 and name   HA) (resid  68 and name   HN)  4.0  2.2  1.0 ! A.570  at 1.19e+06

! G65
assign (resid  65 and name  HA#) (resid  66 and name   HN)  3.0  1.2  1.5 ! B.116  at 2.29e+06
assign (resid  65 and name  HA#) (resid  68 and name   HN)  4.0  2.2  2.0 ! B.125  at 8.46e+05
assign (resid  65 and name  HA#) (resid  69 and name   HN)  5.0  3.2  2.0 ! B.128  at 3.14e+05

! T66
assign (resid  66 and name   HB) (resid  66 and name   HN)  3.0  1.2  0.5 ! A.567  at 6.31e+06
assign (resid  66 and name   HN) (resid  67 and name   HN)  3.0  1.2  0.5 ! A.76   at 3.86e+06
assign (resid  66 and name   HB) (resid  67 and name   HN)  3.0  1.2  0.5 ! A.26   at 7.58e+06
assign (resid  66 and name HG2#) (resid  67 and name   HN)  4.0  2.2  2.0 ! A.27   at 1.93e+06
assign (resid  66 and name   HN) (resid  67 and name  HB#)  5.0  3.2  2.0 ! B.119  at 3.47e+05
assign (resid  66 and name   HA) (resid  69 and name   HN)  4.0  2.2  1.0 ! A.217  at 2.25e+06
assign (resid  66 and name HG2#) (resid  69 and name   HN)  5.0  3.2  2.0 ! B.198  at 2.26e+05

! A67
assign (resid  67 and name  HB#) (resid  67 and name   HN)  2.5  0.7  1.4 ! A.568  at 1.15e+07
assign (resid  67 and name   HN) (resid  68 and name   HN)  3.0  1.2  0.5 ! A.169  at 3.35e+06
assign (resid  67 and name   HA) (resid  68 and name   HN)  4.0  2.2  1.0 ! A.171  at 1.94e+06
assign (resid  67 and name  HB#) (resid  68 and name   HN)  3.0  1.2  1.5 ! A.172  at 5.24e+06
assign (resid  67 and name  HB#) (resid  69 and name   HN)  5.0  3.2  2.0 ! A.219  at 4.35e+05
assign (resid  67 and name  HB#) (resid  70 and name   HN)  5.0  3.2  2.0 ! B.134  at 3.28e+05
assign (resid  67 and name   HA) (resid  70 and name   HN)  4.0  2.2  1.0 ! A.428  at 9.93e+05
assign (resid  67 and name  HB#) (resid  72 and name   HN)  4.0  2.2  2.0 ! B.142  at 6.55e+05

! R68
assign (resid  68 and name   HN) (resid  69 and name   HN)  3.0  1.2  0.5 ! A.208  at 3.98e+06
assign (resid  68 and name  HB#) (resid  69 and name   HN)  4.0  2.2  2.0 ! A.218  at 2.66e+06
assign (resid  68 and name   HA) (resid  69 and name   HN)  4.0  2.2  1.0 ! A.216  at 1.30e+06
assign (resid  68 and name  HG#) (resid  69 and name   HN)  4.0  2.2  2.0 ! B.131  at 7.91e+05
assign (resid  68 and name   HA) (resid  70 and name   HN)  4.0  2.2  1.0 ! A.505  at 5.28e+05
assign (resid  68 and name   HA) (resid  71 and name   HN)  4.0  2.2  1.0 ! B.135  at 7.36e+05
assign (resid  68 and name   HA) (resid  72 and name   HN)  4.0  2.2  1.0 ! B.139  at 1.25e+06

! S69
assign (resid  69 and name   HA) (resid  70 and name   HN)  4.0  2.2  1.0 ! A.141  at 1.97e+06
assign (resid  69 and name   HN) (resid  70 and name   HN)  3.0  1.2  0.5 ! A.209  at 3.73e+06
assign (resid  69 and name  HB#) (resid  70 and name   HN)  4.0  2.2  2.0 ! A.142  at 1.55e+06
assign (resid  69 and name   HN) (resid  70 and name   HA)  5.0  3.2  1.0 ! B.127  at 3.49e+05
assign (resid  69 and name   HN) (resid  70 and name  HB#)  5.0  3.2  2.0 ! B.129  at 2.10e+05
assign (resid  69 and name   HA) (resid  71 and name   HN)  4.0  2.2  1.0 ! A.352  at 1.07e+06

! M70
assign (resid  70 and name  HG#) (resid  70 and name   HN)  4.0  2.2  2.0 ! A.572  at 2.72e+06
assign (resid  70 and name  HB2) (resid  70 and name   HN)  3.0  1.2  0.5 ! A.571  at 4.77e+06
assign (resid  70 and name   HN) (resid  71 and name   HN)  3.0  1.2  0.5 ! A.252  at 5.56e+06
assign (resid  70 and name  HB2) (resid  71 and name   HN)  4.0  2.2  1.0 ! A.254  at 6.83e+05
assign (resid  70 and name   HA) (resid  71 and name   HN)  4.0  2.2  1.0 ! A.253  at 1.10e+06
assign (resid  70 and name  HG#) (resid  71 and name   HN)  5.0  3.2  2.0 ! B.136  at 3.29e+05
assign (resid  70 and name   HN) (resid  71 and name  HA#)  4.0  2.2  2.0 ! B.132  at 3.98e+05
assign (resid  70 and name  HB2) (resid  72 and name   HN)  4.0  2.2  1.0 ! A.429  at 1.03e+06
assign (resid  70 and name   HN) (resid  72 and name   HN)  4.0  2.2  1.0 ! A.353  at 9.54e+05
assign (resid  70 and name   HN) (resid  72 and name   HB)  5.0  3.2  1.0 ! A.506  at 3.98e+05
assign (resid  70 and name   HA) (resid  72 and name   HN)  4.0  2.2  1.0 ! B.140  at 5.42e+05
assign (resid  70 and name   HN) (resid  72 and name HG1#)  5.0  3.2  2.0 ! B.133  at 2.62e+05

! G71
assign (resid  71 and name  HA#) (resid  72 and name   HN)  4.0  2.2  2.0 ! B.141  at 1.95e+06
assign (resid  71 and name   HN) (resid  72 and name   HB)  5.0  3.2  1.0 ! A.465  at 4.29e+05
assign (resid  71 and name   HN) (resid  72 and name HG1#)  5.0  3.2  2.0 ! B.137  at 3.61e+05

! I72
assign (resid  72 and name   HB) (resid  72 and name   HN)  2.5  0.7  0.4 ! A.575  at 9.77e+06
assign (resid  72 and name HG2#) (resid  73 and name   HN)  3.0  1.2  1.5 ! A.9    at 3.77e+06
assign (resid  72 and name   HA) (resid  73 and name   HN)  2.5  0.7  0.4 ! A.6    at 9.34e+06
assign (resid  72 and name   HN) (resid  73 and name   HN)  4.0  2.2  1.0 ! A.80   at 6.78e+05
assign (resid  72 and name   HB) (resid  73 and name   HN)  5.0  3.2  1.0 ! B.143  at 2.56e+05
assign (resid  72 and name HG2#) (resid  74 and name   HN)  5.0  3.2  2.0 ! B.214  at 3.13e+05

! V73
assign (resid  73 and name   HB) (resid  73 and name   HN)  3.0  1.2  0.5 ! A.576  at 4.67e+06
assign (resid  73 and name   HN) (resid  74 and name   HN)  4.0  2.2  1.0 ! A.7    at 5.02e+05
assign (resid  73 and name HG1#) (resid  74 and name   HN)  3.0  1.2  1.5 ! A.431  at 3.98e+06
assign (resid  73 and name   HA) (resid  74 and name   HN)  2.5  0.7  0.4 ! A.14   at 1.29e+07
assign (resid  73 and name   HB) (resid  74 and name   HN)  4.0  2.2  1.0 ! A.15   at 1.04e+06
assign (resid  73 and name HG1#) (resid  75 and name   HN)  4.0  2.2  2.0 ! A.508  at 5.90e+05

! V74
assign (resid  74 and name   HB) (resid  74 and name   HN)  3.0  1.2  0.5 ! A.577  at 7.10e+06
assign (resid  74 and name HG1#) (resid  75 and name   HN)  3.0  1.2  1.5 ! A.357  at 5.51e+06
assign (resid  74 and name   HA) (resid  75 and name   HN)  2.5  0.7  0.4 ! A.356  at 1.76e+07
assign (resid  74 and name   HN) (resid  75 and name   HN)  5.0  3.2  1.0 ! A.11   at 4.50e+05
assign (resid  74 and name HG1#) (resid  76 and name   HN)  4.0  2.2  2.0 ! A.436  at 5.68e+05

! E75
assign (resid  75 and name  HB#) (resid  75 and name   HN)  3.0  1.2  1.5 ! A.578  at 3.54e+06
assign (resid  75 and name   HN) (resid  76 and name   HN)  4.0  2.2  1.0 ! A.17   at 8.07e+05
assign (resid  75 and name   HA) (resid  76 and name   HN)  2.5  0.7  0.4 ! A.18   at 1.69e+07
assign (resid  75 and name  HG#) (resid  76 and name   HN)  4.0  2.2  2.0 ! A.19   at 1.26e+06
assign (resid  75 and name  HB#) (resid  76 and name   HN)  4.0  2.2  2.0 ! A.359  at 2.64e+06

! D76
assign (resid  76 and name  HB#) (resid  76 and name   HN)  3.0  1.2  1.5 ! A.579  at 6.87e+06

!@ END_XPLR_NOE_FILE
! pck2xplr.nawk Table; Input File: to_xplor8.PCK
!   Date: Mon Jul 15 20:14:03 EDT 1996
!   Path: /tm/net/spawn7/markus/l11_hchcnoe_298
!
!@ BEGIN_XPLR_PCK_SUM
! LBL   File-Name                   All   Intra  Seq.  Short   Long
! A   to_xplor8.PCK                 400    87     54    106    153
!    Total                          400    87     54    106    153

!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE
!
! M1

! T2

! F3

! I4
assign (resid   4 and name HG2#) (resid   6 and name  HB#)  5.0  3.2  3.0 ! A.629  at -3.60e+05

! T5
assign (resid   5 and name HG2#) (resid   5 and name   HA)  4.0  2.2  2.0 ! A.1159 at 3.57e+06

! K6
assign (resid   6 and name  HG#) (resid   6 and name   HA)  5.0  3.2  2.0 ! A.1160 at 7.19e+05

! T7
assign (resid   7 and name HG2#) (resid   7 and name   HA)  3.0  1.2  1.3 ! A.930  at 5.48e+06
assign (resid   7 and name   HA) (resid   8 and name  HD#)  3.0  1.2  1.3 ! A.23   at 8.76e+06
assign (resid   7 and name   HB) (resid   8 and name  HD#)  4.0  2.2  2.0 ! A.634  at 4.14e+06
assign (resid   7 and name HG2#) (resid   8 and name  HD#)  4.0  2.2  3.0 ! A.32   at 1.84e+06
assign (resid   7 and name   HA) (resid   8 and name  HG#)  4.0  2.2  2.0 ! A.615  at 8.81e+05
assign (resid   7 and name   HB) (resid   8 and name  HG#)  5.0  3.2  2.0 ! A.611  at 5.59e+05
assign (resid   7 and name   HB) (resid  13 and name HD1#)  4.0  2.2  2.0 ! A.662  at 1.00e+06
assign (resid   7 and name HG2#) (resid  47 and name   HA)  4.0  2.2  2.0 ! A.330  at 1.06e+06
assign (resid   7 and name   HB) (resid  47 and name  HD#)  5.0  3.2  2.0 ! A.824  at 5.24e+05
assign (resid   7 and name   HB) (resid  51 and name HD##)  4.0  2.2  2.0 ! A.848  at 1.06e+06

! P8
assign (resid   8 and name  HB#) (resid   9 and name  HD#)  4.0  2.2  3.0 ! A.54   at -1.27e+06
assign (resid   8 and name   HA) (resid   9 and name  HD#)  3.0  1.2  1.3 ! A.52   at -5.38e+06
assign (resid   8 and name   HA) (resid   9 and name  HG#)  5.0  3.2  2.0 ! A.49   at 6.73e+05
assign (resid   8 and name  HB#) (resid   9 and name  HG#)  5.0  3.2  3.0 ! A.639  at 6.08e+05
assign (resid   8 and name  HB#) (resid  12 and name   HB)  4.0  2.2  2.0 ! A.332  at 1.25e+06
assign (resid   8 and name  HB#) (resid  12 and name HG2#)  4.0  2.2  3.0 ! A.364  at 8.75e+05
assign (resid   8 and name  HB#) (resid  12 and name HG1#)  4.0  2.2  3.0 ! A.80   at 4.35e+06
assign (resid   8 and name  HG#) (resid  12 and name HG1#)  5.0  3.2  3.0 ! A.342  at 6.74e+05
assign (resid   8 and name  HD#) (resid  13 and name HD1#)  4.0  2.2  3.0 ! A.372  at 9.12e+05
assign (resid   8 and name  HG#) (resid  13 and name HD1#)  4.0  2.2  3.0 ! A.374  at 1.84e+06
assign (resid   8 and name  HB#) (resid  13 and name HD1#)  5.0  3.2  3.0 ! A.1168 at 4.00e+05
assign (resid   8 and name  HG#) (resid  13 and name HD2#)  4.0  2.2  3.0 ! A.671  at 3.44e+06
assign (resid   8 and name  HD#) (resid  13 and name HD2#)  4.0  2.2  3.0 ! A.375  at 2.55e+06
assign (resid   8 and name  HB#) (resid  13 and name HD2#)  5.0  3.2  3.0 ! A.670  at 5.09e+05

! P9
assign (resid   9 and name  HG#) (resid   9 and name   HA)  4.0  2.2  2.0 ! A.1169 at 1.54e+06
assign (resid   9 and name   HA) (resid  10 and name  HB#)  5.0  3.2  2.0 ! A.620  at 5.05e+05
assign (resid   9 and name  HB#) (resid  11 and name  HB#)  4.0  2.2  3.0 ! A.650  at 8.70e+05
assign (resid   9 and name  HD#) (resid  12 and name   HB)  4.0  2.2  2.0 ! A.321  at 9.12e+05
assign (resid   9 and name  HD#) (resid  12 and name HG2#)  3.0  1.2  2.3 ! A.84   at 6.40e+06
assign (resid   9 and name  HD#) (resid  12 and name HG1#)  4.0  2.2  3.0 ! A.362  at 1.64e+06
assign (resid   9 and name  HG#) (resid  12 and name HG2#)  4.0  2.2  3.0 ! A.50   at 1.69e+06
assign (resid   9 and name  HB#) (resid  12 and name HG2#)  4.0  2.2  3.0 ! A.48   at -9.32e+05
assign (resid   9 and name   HA) (resid  47 and name  HE#)  4.0  2.2  2.0 ! A.46   at 9.07e+05

! A10
assign (resid  10 and name   HA) (resid  13 and name HD1#)  4.0  2.2  2.0 ! A.352  at 2.36e+06
assign (resid  10 and name   HA) (resid  13 and name HD2#)  5.0  3.2  2.0 ! A.376  at 6.63e+05
assign (resid  10 and name   HA) (resid  13 and name  HB1)  5.0  3.2  1.0 ! A.1170 at -5.61e+05
assign (resid  10 and name   HA) (resid  13 and name  HB2)  4.0  2.2  1.0 ! A.2    at 1.54e+06
assign (resid  10 and name   HA) (resid  13 and name   HG)  4.0  2.2  1.0 ! A.350  at 9.82e+05
assign (resid  10 and name  HB#) (resid  14 and name HD2#)  3.0  1.2  2.3 ! A.12   at 8.11e+06
assign (resid  10 and name   HA) (resid  14 and name HD2#)  5.0  3.2  2.0 ! A.62   at 8.04e+05
assign (resid  10 and name   HA) (resid  43 and name HG2#)  4.0  2.2  2.0 ! A.787  at 2.00e+06
assign (resid  10 and name  HB#) (resid  43 and name HG2#)  4.0  2.2  3.0 ! A.466  at 3.91e+06
assign (resid  10 and name  HB#) (resid  47 and name  HB2)  5.0  3.2  2.0 ! A.1177 at 4.51e+05
assign (resid  10 and name  HB#) (resid  47 and name  HB1)  5.0  3.2  2.0 ! A.1175 at 5.47e+05
assign (resid  10 and name   HA) (resid  47 and name  HE#)  5.0  3.2  2.0 ! A.618  at 3.78e+05
assign (resid  10 and name  HB#) (resid  47 and name  HE#)  4.0  2.2  3.0 ! A.9    at 1.11e+06
assign (resid  10 and name  HB#) (resid  51 and name HD##)  4.0  2.2  3.0 ! A.1179 at 1.51e+06
assign (resid  10 and name  HB#) (resid  63 and name HG1#)  3.0  1.2  2.3 ! A.1180 at 8.50e+06
assign (resid  10 and name   HA) (resid  63 and name HG1#)  5.0  3.2  2.0 ! A.619  at 6.49e+05
assign (resid  10 and name  HB#) (resid  66 and name   HB)  5.0  3.2  2.0 ! A.7    at 6.40e+05

! A11
assign (resid  11 and name  HB#) (resid  12 and name   HA)  4.0  2.2  2.0 ! A.628  at 8.80e+05
assign (resid  11 and name   HA) (resid  14 and name   HG)  5.0  3.2  1.0 ! A.647  at 5.27e+05
assign (resid  11 and name   HA) (resid  14 and name HD1#)  4.0  2.2  2.0 ! A.5    at 4.45e+06
assign (resid  11 and name   HA) (resid  14 and name  HB2)  4.0  2.2  1.0 ! A.3    at 1.82e+06
assign (resid  11 and name  HB#) (resid  66 and name HG2#)  3.0  1.2  2.3 ! A.1182 at 7.14e+06
assign (resid  11 and name   HA) (resid  66 and name HG2#)  4.0  2.2  2.0 ! A.359  at 1.69e+06
assign (resid  11 and name  HB#) (resid  70 and name  HE#)  2.5  0.7  2.2 ! A.1185 at 1.58e+07

! V12
assign (resid  12 and name HG2#) (resid  12 and name   HA)  3.0  1.2  1.3 ! A.1188 at 7.27e+06
assign (resid  12 and name HG1#) (resid  12 and name   HA)  3.0  1.2  1.3 ! A.1186 at 5.01e+06
assign (resid  12 and name   HA) (resid  13 and name   HA)  5.0  3.2  1.0 ! A.783  at 5.40e+05
assign (resid  12 and name HG1#) (resid  13 and name   HA)  4.0  2.2  2.0 ! A.78   at 1.88e+06
assign (resid  12 and name   HA) (resid  15 and name  HD#)  5.0  3.2  2.0 ! A.393  at 7.17e+05
assign (resid  12 and name   HA) (resid  15 and name  HE#)  5.0  3.2  2.0 ! A.652  at 6.55e+05
assign (resid  12 and name   HA) (resid  15 and name  HB1)  5.0  3.2  1.0 ! A.390  at -4.05e+05
assign (resid  12 and name   HA) (resid  15 and name  HB2)  4.0  2.2  1.0 ! A.389  at -8.85e+05

! L13
assign (resid  13 and name HD1#) (resid  13 and name  HB2)  3.0  1.2  1.3 ! A.1166 at 6.42e+06
assign (resid  13 and name HD2#) (resid  13 and name   HA)  3.0  1.2  1.3 ! A.939  at 1.17e+07
assign (resid  13 and name HD2#) (resid  16 and name  HD#)  4.0  2.2  3.0 ! A.689  at 1.29e+06
assign (resid  13 and name   HA) (resid  16 and name  HD#)  5.0  3.2  2.0 ! A.693  at 6.38e+05
assign (resid  13 and name HD2#) (resid  16 and name  HE#)  4.0  2.2  3.0 ! A.1201 at -9.26e+05
assign (resid  13 and name   HA) (resid  16 and name   HA)  4.0  2.2  1.0 ! A.658  at 1.01e+06
assign (resid  13 and name   HA) (resid  16 and name  HB#)  4.0  2.2  2.0 ! A.108  at -2.09e+06
assign (resid  13 and name HD1#) (resid  43 and name   HA)  5.0  3.2  2.0 ! A.663  at 8.22e+05
assign (resid  13 and name  HB2) (resid  43 and name HD1#)  4.0  2.2  2.0 ! A.370  at -9.14e+05
assign (resid  13 and name  HB1) (resid  43 and name HD1#)  4.0  2.2  2.0 ! A.797  at 3.11e+06
assign (resid  13 and name HD1#) (resid  47 and name  HE#)  5.0  3.2  3.0 ! A.223  at -8.46e+05

! L14
assign (resid  14 and name HD1#) (resid  14 and name  HB2)  4.0  2.2  2.0 ! A.1206 at 3.24e+06
assign (resid  14 and name   HA) (resid  14 and name   HG)  4.0  2.2  1.0 ! A.1203 at 1.09e+06
assign (resid  14 and name   HA) (resid  17 and name  HB#)  4.0  2.2  2.0 ! A.95   at 1.37e+06
assign (resid  14 and name   HA) (resid  35 and name HD1#)  4.0  2.2  2.0 ! A.143  at 1.61e+06
assign (resid  14 and name HD2#) (resid  40 and name   HA)  5.0  3.2  2.0 ! A.101  at 6.15e+05
assign (resid  14 and name HD2#) (resid  43 and name HG2#)  2.5  0.7  2.2 ! A.791  at 1.84e+07
assign (resid  14 and name   HA) (resid  43 and name HG2#)  5.0  3.2  2.0 ! A.674  at 3.97e+05
assign (resid  14 and name   HA) (resid  43 and name HD1#)  4.0  2.2  2.0 ! A.793  at 3.18e+06
assign (resid  14 and name HD2#) (resid  44 and name  HB#)  4.0  2.2  3.0 ! A.475  at 2.76e+06
assign (resid  14 and name HD1#) (resid  44 and name  HB#)  4.0  2.2  3.0 ! A.199  at 1.33e+06
assign (resid  14 and name HD1#) (resid  63 and name HG2#)  3.0  1.2  2.3 ! A.884  at 1.17e+07
assign (resid  14 and name HD1#) (resid  63 and name   HA)  4.0  2.2  2.0 ! A.383  at 2.78e+06
assign (resid  14 and name HD2#) (resid  63 and name   HB)  5.0  3.2  2.0 ! A.683  at 5.92e+05
assign (resid  14 and name HD1#) (resid  66 and name HG2#)  3.0  1.2  2.3 ! A.892  at 8.75e+06
assign (resid  14 and name HD1#) (resid  66 and name   HB)  4.0  2.2  2.0 ! A.280  at 1.67e+06
assign (resid  14 and name HD2#) (resid  66 and name   HB)  4.0  2.2  2.0 ! A.889  at 1.67e+06
assign (resid  14 and name HD1#) (resid  70 and name  HE#)  4.0  2.2  3.0 ! A.384  at 1.51e+06
assign (resid  14 and name  HB2) (resid  72 and name HD1#)  4.0  2.2  2.0 ! A.911  at 1.26e+06

! K15
assign (resid  15 and name  HD#) (resid  15 and name   HA)  5.0  3.2  2.0 ! A.1213 at 5.40e+05
assign (resid  15 and name   HA) (resid  18 and name  HB#)  3.0  1.2  1.3 ! A.274  at 5.37e+06
assign (resid  15 and name   HA) (resid  20 and name HG1#)  5.0  3.2  2.0 ! A.107  at 7.18e+05
assign (resid  15 and name  HD#) (resid  20 and name HG1#)  5.0  3.2  3.0 ! A.713  at 4.89e+05
assign (resid  15 and name  HE#) (resid  20 and name HG2#)  4.0  2.2  3.0 ! A.715  at 1.38e+06
assign (resid  15 and name   HA) (resid  20 and name HG2#)  5.0  3.2  2.0 ! A.1212 at 7.62e+05
assign (resid  15 and name   HA) (resid  20 and name   HB)  4.0  2.2  1.0 ! A.407  at -1.12e+06
assign (resid  15 and name   HA) (resid  20 and name HD1#)  4.0  2.2  2.0 ! A.716  at 2.46e+06
assign (resid  15 and name  HD#) (resid  21 and name   HA)  5.0  3.2  2.0 ! A.686  at 3.61e+05
assign (resid  15 and name  HE#) (resid  70 and name  HE#)  3.0  1.2  2.3 ! A.1214 at 4.82e+06
assign (resid  15 and name   HA) (resid  72 and name HD1#)  4.0  2.2  2.0 ! A.910  at 1.90e+06

! K16
assign (resid  16 and name  HD#) (resid  16 and name   HA)  4.0  2.2  2.0 ! A.1222 at 1.12e+06
assign (resid  16 and name  HG#) (resid  16 and name   HA)  4.0  2.2  2.0 ! A.1221 at 1.06e+06
assign (resid  16 and name  HB#) (resid  17 and name   HA)  5.0  3.2  2.0 ! A.695  at -4.82e+05
assign (resid  16 and name  HE#) (resid  17 and name   HA)  5.0  3.2  2.0 ! A.696  at 4.09e+05
assign (resid  16 and name   HA) (resid  21 and name  HG#)  5.0  3.2  2.0 ! A.1217 at -5.20e+05

! A17
assign (resid  17 and name  HB#) (resid  18 and name   HA)  5.0  3.2  2.0 ! A.109  at 7.86e+05
assign (resid  17 and name   HA) (resid  35 and name HD1#)  5.0  3.2  2.0 ! A.142  at 3.73e+05
assign (resid  17 and name  HB#) (resid  35 and name HD1#)  3.0  1.2  2.3 ! A.1224 at 8.45e+06
assign (resid  17 and name  HB#) (resid  39 and name  HB#)  4.0  2.2  3.0 ! A.700  at 1.16e+06
assign (resid  17 and name  HB#) (resid  39 and name  HE#)  4.0  2.2  3.0 ! A.698  at 1.37e+06
assign (resid  17 and name  HB#) (resid  43 and name HD1#)  3.0  1.2  2.3 ! A.1223 at 1.10e+07
assign (resid  17 and name   HA) (resid  43 and name HD1#)  5.0  3.2  2.0 ! A.20   at 3.41e+05

! A18
assign (resid  18 and name   HA) (resid  19 and name  HA#)  5.0  3.2  2.0 ! A.702  at -3.58e+05
assign (resid  18 and name  HB#) (resid  20 and name HG1#)  3.0  1.2  2.3 ! A.1226 at 5.44e+06
assign (resid  18 and name   HA) (resid  35 and name HG2#)  4.0  2.2  2.0 ! A.140  at 2.14e+06
assign (resid  18 and name  HB#) (resid  72 and name HG2#)  3.0  1.2  2.3 ! A.402  at 8.85e+06

! G19

! I20
assign (resid  20 and name HG1#) (resid  20 and name   HA)  4.0  2.2  2.0 ! A.1235 at 9.88e+05
assign (resid  20 and name HD1#) (resid  20 and name   HA)  4.0  2.2  2.0 ! A.1231 at 1.60e+06
assign (resid  20 and name HD1#) (resid  20 and name   HB)  3.0  1.2  1.3 ! A.942  at 5.40e+06
assign (resid  20 and name HG2#) (resid  21 and name  HG#)  4.0  2.2  3.0 ! A.1237 at 9.21e+05
assign (resid  20 and name HG2#) (resid  21 and name   HA)  5.0  3.2  2.0 ! A.719  at 3.51e+05
assign (resid  20 and name HG2#) (resid  33 and name   HA)  5.0  3.2  2.0 ! A.417  at -4.45e+05
assign (resid  20 and name HD1#) (resid  35 and name HD1#)  3.0  1.2  2.3 ! A.1232 at 8.94e+06

! E21
assign (resid  21 and name  HG#) (resid  21 and name   HA)  4.0  2.2  2.0 ! A.1238 at -1.56e+06
assign (resid  21 and name  HB#) (resid  22 and name   HA)  5.0  3.2  2.0 ! A.722  at 3.37e+05
assign (resid  21 and name  HG#) (resid  23 and name  HA#)  5.0  3.2  3.0 ! A.412  at -5.20e+05

! S22

! G23

! S24

! G25

! E26
assign (resid  26 and name  HG#) (resid  26 and name   HA)  4.0  2.2  2.0 ! A.1243 at -9.84e+05
assign (resid  26 and name   HA) (resid  27 and name  HD#)  4.0  2.2  2.0 ! A.120  at 3.82e+06

! P27
assign (resid  27 and name  HB#) (resid  27 and name  HD#)  5.0  3.2  3.0 ! A.1244 at 7.02e+05
assign (resid  27 and name  HG#) (resid  27 and name   HA)  4.0  2.2  2.0 ! A.1245 at 1.26e+06

! N28

! R29
assign (resid  29 and name  HB#) (resid  29 and name  HD#)  5.0  3.2  3.0 ! A.1247 at 7.14e+05
assign (resid  29 and name  HG#) (resid  29 and name   HA)  4.0  2.2  2.0 ! A.1252 at 1.77e+06
assign (resid  29 and name   HA) (resid  29 and name  HD#)  5.0  3.2  2.0 ! A.1251 at 4.69e+05

! N30

! K31
assign (resid  31 and name  HG#) (resid  31 and name  HE#)  5.0  3.2  3.0 ! A.1255 at 8.41e+05
assign (resid  31 and name  HG#) (resid  31 and name   HA)  4.0  2.2  2.0 ! A.1254 at 1.54e+06
assign (resid  31 and name   HA) (resid  32 and name HG1#)  5.0  3.2  2.0 ! A.125  at 7.01e+05
assign (resid  31 and name   HA) (resid  32 and name HG2#)  5.0  3.2  2.0 ! A.128  at 7.30e+05

! V32
assign (resid  32 and name HG1#) (resid  32 and name   HA)  3.0  1.2  1.3 ! A.1259 at 6.12e+06
assign (resid  32 and name HG2#) (resid  32 and name   HA)  3.0  1.2  1.3 ! A.1260 at 5.54e+06
assign (resid  32 and name HG1#) (resid  34 and name   HA)  5.0  3.2  2.0 ! A.734  at 5.51e+05
assign (resid  32 and name HG2#) (resid  72 and name   HA)  5.0  3.2  2.0 ! A.904  at 4.53e+05

! A33
assign (resid  33 and name   HA) (resid  34 and name HG2#)  5.0  3.2  2.0 ! A.130  at -3.43e+05
assign (resid  33 and name  HB#) (resid  34 and name   HA)  5.0  3.2  2.0 ! A.18   at 4.44e+05
assign (resid  33 and name  HB#) (resid  72 and name HG2#)  3.0  1.2  2.3 ! A.133  at 5.71e+06
assign (resid  33 and name  HB#) (resid  72 and name   HA)  4.0  2.2  2.0 ! A.420  at 1.88e+06

! T34
assign (resid  34 and name HG2#) (resid  34 and name   HA)  3.0  1.2  1.3 ! A.953  at 6.74e+06
assign (resid  34 and name   HA) (resid  35 and name HG2#)  5.0  3.2  2.0 ! A.745  at 4.36e+05
assign (resid  34 and name   HA) (resid  72 and name HG2#)  4.0  2.2  2.0 ! A.16   at 2.04e+06
assign (resid  34 and name   HA) (resid  73 and name HG2#)  4.0  2.2  2.0 ! A.586  at 9.91e+05
assign (resid  34 and name HG2#) (resid  73 and name   HB)  3.0  1.2  1.3 ! A.424  at 6.64e+06
assign (resid  34 and name   HA) (resid  73 and name HG1#)  4.0  2.2  2.0 ! A.17   at 9.55e+05
assign (resid  34 and name   HA) (resid  73 and name   HB)  4.0  2.2  1.0 ! A.126  at -1.95e+06
assign (resid  34 and name HG2#) (resid  75 and name  HG#)  4.0  2.2  3.0 ! A.591  at -9.72e+05
assign (resid  34 and name   HB) (resid  75 and name  HG#)  5.0  3.2  2.0 ! A.592  at -5.10e+05

! I35
assign (resid  35 and name HG1#) (resid  35 and name   HA)  4.0  2.2  2.0 ! A.957  at 1.58e+06
assign (resid  35 and name HG2#) (resid  35 and name   HA)  3.0  1.2  1.3 ! A.959  at 4.94e+06
assign (resid  35 and name HD1#) (resid  35 and name   HA)  4.0  2.2  2.0 ! A.1270 at 9.85e+05
assign (resid  35 and name   HB) (resid  37 and name  HD#)  4.0  2.2  2.0 ! A.139  at -1.37e+06
assign (resid  35 and name HG1#) (resid  39 and name  HB#)  4.0  2.2  3.0 ! A.447  at 1.34e+06
assign (resid  35 and name HD1#) (resid  39 and name  HB#)  4.0  2.2  3.0 ! A.428  at 1.36e+06
assign (resid  35 and name HG2#) (resid  39 and name  HB#)  4.0  2.2  3.0 ! A.751  at 1.31e+06
assign (resid  35 and name HD1#) (resid  40 and name   HA)  4.0  2.2  2.0 ! A.144  at 8.73e+05
assign (resid  35 and name   HB) (resid  72 and name HG2#)  4.0  2.2  2.0 ! A.749  at -2.83e+06
assign (resid  35 and name   HA) (resid  72 and name HG2#)  4.0  2.2  2.0 ! A.747  at 2.65e+06
assign (resid  35 and name HG2#) (resid  72 and name HG2#)  3.0  1.2  2.3 ! A.750  at 9.65e+06
assign (resid  35 and name HG1#) (resid  74 and name   HA)  5.0  3.2  2.0 ! A.1271 at 4.12e+05

! K36
assign (resid  36 and name  HD#) (resid  36 and name   HA)  4.0  2.2  2.0 ! A.968  at 2.79e+06
assign (resid  36 and name  HG#) (resid  36 and name   HA)  4.0  2.2  2.0 ! A.967  at 1.57e+06
assign (resid  36 and name   HA) (resid  74 and name HG2#)  5.0  3.2  2.0 ! A.1274 at 3.91e+05
assign (resid  36 and name   HA) (resid  74 and name HG1#)  5.0  3.2  2.0 ! A.19   at 3.97e+05
assign (resid  36 and name   HA) (resid  75 and name  HG#)  5.0  3.2  2.0 ! A.320  at -5.66e+05

! R37
assign (resid  37 and name  HB1) (resid  37 and name  HD#)  4.0  2.2  2.0 ! A.971  at 1.37e+06
assign (resid  37 and name  HB2) (resid  37 and name  HD#)  4.0  2.2  2.0 ! A.970  at 1.15e+06
assign (resid  37 and name  HG#) (resid  37 and name   HA)  4.0  2.2  2.0 ! A.1288 at 1.02e+06
assign (resid  37 and name  HD#) (resid  37 and name   HA)  4.0  2.2  2.0 ! A.1284 at -1.17e+06
assign (resid  37 and name   HA) (resid  40 and name   HB)  4.0  2.2  1.0 ! A.147  at 3.27e+06
assign (resid  37 and name   HA) (resid  40 and name   HA)  5.0  3.2  1.0 ! A.760  at 5.63e+05
assign (resid  37 and name   HA) (resid  40 and name HG2#)  4.0  2.2  2.0 ! A.763  at 3.68e+06
assign (resid  37 and name  HD#) (resid  40 and name HG1#)  5.0  3.2  3.0 ! A.753  at -4.83e+05
assign (resid  37 and name   HA) (resid  40 and name HG1#)  4.0  2.2  2.0 ! A.529  at 2.86e+06
assign (resid  37 and name  HG#) (resid  60 and name  HE#)  3.0  1.2  2.3 ! A.1289 at 1.17e+07
assign (resid  37 and name  HD#) (resid  60 and name  HE#)  3.0  1.2  2.3 ! A.1286 at 8.31e+06
assign (resid  37 and name  HB2) (resid  74 and name HG1#)  4.0  2.2  2.0 ! A.318  at 4.19e+06
assign (resid  37 and name  HB1) (resid  74 and name HG1#)  5.0  3.2  2.0 ! A.152  at 3.78e+05
assign (resid  37 and name  HG#) (resid  74 and name HG1#)  4.0  2.2  3.0 ! A.923  at 2.73e+06
assign (resid  37 and name   HA) (resid  74 and name HG1#)  4.0  2.2  2.0 ! A.148  at 2.35e+06
assign (resid  37 and name  HD#) (resid  74 and name HG1#)  4.0  2.2  3.0 ! A.158  at -1.14e+06
assign (resid  37 and name  HB2) (resid  76 and name   HA)  4.0  2.2  1.0 ! A.925  at 1.37e+06
assign (resid  37 and name  HD#) (resid  76 and name   HA)  5.0  3.2  2.0 ! A.437  at 6.07e+05
assign (resid  37 and name  HG#) (resid  76 and name   HA)  5.0  3.2  2.0 ! A.596  at 8.11e+05

! D38
assign (resid  38 and name   HA) (resid  41 and name  HB1)  4.0  2.2  1.0 ! A.439  at 2.47e+06
assign (resid  38 and name   HA) (resid  41 and name  HB2)  4.0  2.2  1.0 ! A.594  at 2.08e+06
assign (resid  38 and name   HA) (resid  41 and name  HD#)  5.0  3.2  2.0 ! A.776  at -6.74e+05

! K39
assign (resid  39 and name  HD#) (resid  39 and name   HA)  4.0  2.2  2.0 ! A.977  at 1.87e+06
assign (resid  39 and name  HG#) (resid  39 and name  HE#)  4.0  2.2  3.0 ! A.976  at 1.50e+06
assign (resid  39 and name   HA) (resid  42 and name  HB#)  3.0  1.2  1.3 ! A.415  at 4.83e+06
assign (resid  39 and name   HA) (resid  42 and name  HG#)  5.0  3.2  2.0 ! A.443  at 5.53e+05
assign (resid  39 and name  HG#) (resid  43 and name HD1#)  4.0  2.2  3.0 ! A.756  at 1.27e+06

! V40
assign (resid  40 and name HG2#) (resid  40 and name   HA)  3.0  1.2  1.3 ! A.980  at 5.79e+06
assign (resid  40 and name HG1#) (resid  40 and name   HA)  3.0  1.2  1.3 ! A.978  at 4.85e+06
assign (resid  40 and name HG1#) (resid  41 and name   HA)  4.0  2.2  2.0 ! A.772  at 1.07e+06
assign (resid  40 and name   HA) (resid  43 and name HD1#)  4.0  2.2  2.0 ! A.191  at 1.65e+06
assign (resid  40 and name   HA) (resid  43 and name   HB)  4.0  2.2  1.0 ! A.188  at -1.20e+06
assign (resid  40 and name   HA) (resid  43 and name HG2#)  5.0  3.2  2.0 ! A.604  at 6.10e+05
assign (resid  40 and name HG1#) (resid  60 and name  HG#)  4.0  2.2  3.0 ! A.761  at 1.09e+06
assign (resid  40 and name HG2#) (resid  63 and name   HB)  4.0  2.2  2.0 ! A.766  at 1.86e+06
assign (resid  40 and name HG1#) (resid  63 and name   HB)  3.0  1.2  1.3 ! A.762  at 1.15e+07
assign (resid  40 and name   HA) (resid  63 and name HG2#)  4.0  2.2  2.0 ! A.270  at 1.79e+06
assign (resid  40 and name HG2#) (resid  67 and name  HB#)  4.0  2.2  3.0 ! A.1294 at 2.65e+06
assign (resid  40 and name   HB) (resid  74 and name HG1#)  4.0  2.2  2.0 ! A.921  at 1.19e+06
assign (resid  40 and name HG2#) (resid  74 and name   HA)  5.0  3.2  2.0 ! A.311  at 6.09e+05

! R41
assign (resid  41 and name  HG#) (resid  41 and name   HA)  4.0  2.2  2.0 ! A.985  at 2.13e+06
assign (resid  41 and name   HA) (resid  41 and name  HD#)  5.0  3.2  2.0 ! A.982  at 7.42e+05
assign (resid  41 and name  HG#) (resid  42 and name   HA)  5.0  3.2  2.0 ! A.460  at 5.66e+05
assign (resid  41 and name   HA) (resid  44 and name  HB#)  3.0  1.2  1.3 ! A.195  at 5.36e+06
assign (resid  41 and name  HG#) (resid  45 and name  HB#)  5.0  3.2  3.0 ! A.459  at 6.36e+05
assign (resid  41 and name  HG#) (resid  45 and name  HG#)  5.0  3.2  3.0 ! A.207  at -6.08e+05
assign (resid  41 and name  HD#) (resid  56 and name HG2#)  4.0  2.2  3.0 ! A.185  at -1.14e+06
assign (resid  41 and name  HG#) (resid  56 and name HG2#)  4.0  2.2  3.0 ! A.1296 at 2.61e+06
assign (resid  41 and name   HA) (resid  60 and name  HB#)  4.0  2.2  2.0 ! A.322  at -1.77e+06
assign (resid  41 and name   HA) (resid  60 and name  HG#)  4.0  2.2  2.0 ! A.323  at -1.08e+06

! E42
assign (resid  42 and name   HA) (resid  42 and name  HG#)  4.0  2.2  2.0 ! A.987  at 1.65e+06
assign (resid  42 and name   HA) (resid  45 and name  HB#)  4.0  2.2  2.0 ! A.811  at 9.04e+05

! I43
assign (resid  43 and name HG1#) (resid  43 and name   HA)  4.0  2.2  2.0 ! A.995  at 1.54e+06
assign (resid  43 and name   HA) (resid  43 and name HG2#)  4.0  2.2  2.0 ! A.992  at 3.08e+06
assign (resid  43 and name   HA) (resid  43 and name HD1#)  4.0  2.2  2.0 ! A.990  at 1.13e+06
assign (resid  43 and name   HB) (resid  43 and name HD1#)  4.0  2.2  2.0 ! A.1297 at -3.15e+06
assign (resid  43 and name HG2#) (resid  44 and name   HA)  4.0  2.2  2.0 ! A.798  at 1.28e+06
assign (resid  43 and name   HA) (resid  46 and name HD##)  4.0  2.2  2.0 ! A.211  at 1.68e+06
assign (resid  43 and name   HA) (resid  46 and name  HB#)  4.0  2.2  2.0 ! A.209  at -1.12e+06
assign (resid  43 and name HG2#) (resid  47 and name  HB2)  4.0  2.2  2.0 ! A.217  at 1.18e+06
assign (resid  43 and name HG2#) (resid  47 and name  HD#)  4.0  2.2  3.0 ! A.1298 at 3.01e+06
assign (resid  43 and name HG2#) (resid  47 and name  HG#)  4.0  2.2  3.0 ! A.822  at 1.25e+06
assign (resid  43 and name HG2#) (resid  63 and name HG1#)  4.0  2.2  3.0 ! A.792  at 3.11e+06

! A44
assign (resid  44 and name  HB#) (resid  45 and name  HB#)  5.0  3.2  3.0 ! A.813  at 4.32e+05
assign (resid  44 and name   HA) (resid  47 and name  HB1)  5.0  3.2  1.0 ! A.804  at 3.62e+05
assign (resid  44 and name   HA) (resid  47 and name  HB2)  5.0  3.2  1.0 ! A.214  at 5.46e+05
assign (resid  44 and name   HA) (resid  51 and name HD##)  4.0  2.2  2.0 ! A.802  at 9.15e+05
assign (resid  44 and name   HA) (resid  59 and name  HB#)  4.0  2.2  2.0 ! A.801  at 1.35e+06
assign (resid  44 and name  HB#) (resid  59 and name   HA)  4.0  2.2  2.0 ! A.807  at 1.40e+06
assign (resid  44 and name  HB#) (resid  60 and name  HB#)  3.0  1.2  2.3 ! A.198  at 6.03e+06
assign (resid  44 and name  HB#) (resid  60 and name  HG#)  4.0  2.2  3.0 ! A.260  at -1.65e+06
assign (resid  44 and name  HB#) (resid  60 and name   HA)  4.0  2.2  2.0 ! A.257  at 2.86e+06
assign (resid  44 and name  HB#) (resid  63 and name HD1#)  3.0  1.2  2.3 ! A.886  at -8.07e+06
assign (resid  44 and name   HA) (resid  63 and name HG1#)  4.0  2.2  2.0 ! A.806  at 1.86e+06
assign (resid  44 and name  HB#) (resid  63 and name HG2#)  3.0  1.2  2.3 ! A.808  at 8.07e+06
assign (resid  44 and name  HB#) (resid  63 and name   HB)  4.0  2.2  2.0 ! A.539  at -9.51e+05
assign (resid  44 and name   HA) (resid  63 and name   HB)  5.0  3.2  1.0 ! A.803  at 5.07e+05
assign (resid  44 and name   HA) (resid  63 and name HD1#)  4.0  2.2  2.0 ! A.805  at 1.73e+06

! E45
assign (resid  45 and name   HA) (resid  45 and name  HG#)  4.0  2.2  2.0 ! A.1301 at 9.09e+05
assign (resid  45 and name  HB#) (resid  46 and name HD##)  4.0  2.2  3.0 ! A.1306 at 9.31e+05
assign (resid  45 and name   HA) (resid  48 and name  HB#)  5.0  3.2  2.0 ! A.829  at 6.69e+05
assign (resid  45 and name   HA) (resid  48 and name  HE#)  4.0  2.2  2.0 ! A.1304 at 2.35e+06
assign (resid  45 and name   HA) (resid  48 and name  HG#)  4.0  2.2  2.0 ! A.496  at -1.36e+06
assign (resid  45 and name  HB#) (resid  56 and name HD1#)  4.0  2.2  3.0 ! A.831  at 2.13e+06
assign (resid  45 and name  HG#) (resid  56 and name HG1#)  5.0  3.2  3.0 ! A.816  at -4.69e+05
assign (resid  45 and name   HA) (resid  56 and name HG1#)  4.0  2.2  2.0 ! A.810  at 9.53e+05
assign (resid  45 and name  HG#) (resid  56 and name HG2#)  4.0  2.2  3.0 ! A.866  at 1.59e+06
assign (resid  45 and name   HA) (resid  56 and name HD1#)  4.0  2.2  2.0 ! A.248  at 3.88e+06
assign (resid  45 and name  HG#) (resid  56 and name HD1#)  4.0  2.2  3.0 ! A.814  at -1.17e+06

! L46
assign (resid  46 and name HD##) (resid  46 and name   HA)  3.0  1.2  1.3 ! A.1309 at 5.43e+06

! K47
assign (resid  47 and name   HA) (resid  47 and name  HE#)  4.0  2.2  2.0 ! A.1312 at -8.77e+05
assign (resid  47 and name   HA) (resid  47 and name  HD#)  4.0  2.2  2.0 ! A.1311 at -2.68e+06
assign (resid  47 and name   HA) (resid  47 and name  HG#)  5.0  3.2  2.0 ! A.1315 at -6.01e+05
assign (resid  47 and name  HG#) (resid  47 and name  HE#)  5.0  3.2  3.0 ! A.1319 at 3.66e+05
assign (resid  47 and name   HA) (resid  49 and name  HD#)  5.0  3.2  2.0 ! A.212  at -7.91e+05
assign (resid  47 and name   HA) (resid  50 and name  HB2)  5.0  3.2  1.0 ! A.821  at -4.83e+05
assign (resid  47 and name   HA) (resid  51 and name HD##)  5.0  3.2  2.0 ! A.230  at 3.83e+05
assign (resid  47 and name  HB1) (resid  51 and name HD##)  4.0  2.2  2.0 ! A.846  at 1.44e+06
assign (resid  47 and name  HB2) (resid  63 and name HD1#)  5.0  3.2  2.0 ! A.487  at 6.16e+05

! M48
assign (resid  48 and name   HA) (resid  48 and name  HG#)  4.0  2.2  2.0 ! A.1006 at 1.39e+06
assign (resid  48 and name  HE#) (resid  48 and name  HG#)  3.0  1.2  2.3 ! A.1327 at 5.14e+06
assign (resid  48 and name  HB#) (resid  49 and name  HD#)  3.0  1.2  2.3 ! A.227  at -5.91e+06
assign (resid  48 and name  HG#) (resid  49 and name  HD#)  4.0  2.2  3.0 ! A.500  at -1.03e+06
assign (resid  48 and name   HA) (resid  49 and name  HD#)  5.0  3.2  2.0 ! A.498  at -6.69e+05
assign (resid  48 and name   HA) (resid  49 and name   HA)  5.0  3.2  1.0 ! A.840  at 3.63e+05
assign (resid  48 and name  HE#) (resid  49 and name  HD#)  4.0  2.2  3.0 ! A.1328 at 1.70e+06
assign (resid  48 and name  HE#) (resid  49 and name   HA)  4.0  2.2  2.0 ! A.1324 at 1.09e+06
assign (resid  48 and name  HB#) (resid  51 and name HD##)  4.0  2.2  3.0 ! A.845  at 1.16e+06
assign (resid  48 and name   HA) (resid  51 and name HD##)  4.0  2.2  2.0 ! A.490  at 1.60e+06
assign (resid  48 and name   HA) (resid  51 and name  HB#)  4.0  2.2  2.0 ! A.491  at 1.52e+06
assign (resid  48 and name   HA) (resid  53 and name  HB#)  3.0  1.2  1.3 ! A.507  at 6.83e+06
assign (resid  48 and name  HE#) (resid  53 and name  HB#)  3.0  1.2  2.3 ! A.1329 at 1.33e+07
assign (resid  48 and name  HG#) (resid  53 and name  HB#)  4.0  2.2  3.0 ! A.835  at -4.07e+06
assign (resid  48 and name  HE#) (resid  55 and name   HA)  3.0  1.2  1.3 ! A.1323 at 7.12e+06
assign (resid  48 and name  HE#) (resid  55 and name  HB2)  4.0  2.2  2.0 ! A.1325 at 1.36e+06
assign (resid  48 and name  HB#) (resid  56 and name HD1#)  4.0  2.2  3.0 ! A.834  at 1.97e+06
assign (resid  48 and name  HG#) (resid  56 and name   HA)  5.0  3.2  2.0 ! A.514  at 3.56e+05
assign (resid  48 and name  HE#) (resid  56 and name HD1#)  3.0  1.2  2.3 ! A.1330 at 5.19e+06
assign (resid  48 and name  HG#) (resid  56 and name HD1#)  5.0  3.2  3.0 ! A.1336 at 5.18e+05
assign (resid  48 and name  HB#) (resid  59 and name  HB#)  4.0  2.2  3.0 ! A.870  at 1.89e+06
assign (resid  48 and name  HG#) (resid  59 and name  HB#)  4.0  2.2  3.0 ! A.527  at 2.55e+06

! P49
assign (resid  49 and name  HB#) (resid  49 and name  HD#)  4.0  2.2  3.0 ! A.1014 at 1.57e+06
assign (resid  49 and name  HG#) (resid  49 and name   HA)  4.0  2.2  2.0 ! A.1019 at 1.06e+06
assign (resid  49 and name   HA) (resid  49 and name  HD#)  4.0  2.2  2.0 ! A.1009 at 8.96e+05

! D50
assign (resid  50 and name  HB1) (resid  51 and name HD##)  5.0  3.2  2.0 ! A.1338 at 6.80e+05

! L51
assign (resid  51 and name HD##) (resid  51 and name   HA)  4.0  2.2  2.0 ! A.1025 at 1.29e+06
assign (resid  51 and name HD##) (resid  51 and name  HB#)  3.0  1.2  2.3 ! A.1340 at 1.35e+07
assign (resid  51 and name  HB#) (resid  53 and name  HB#)  4.0  2.2  3.0 ! A.853  at 3.79e+06
assign (resid  51 and name HD##) (resid  59 and name  HB#)  3.0  1.2  2.3 ! A.927  at 5.45e+06
assign (resid  51 and name HD##) (resid  59 and name   HA)  4.0  2.2  2.0 ! A.253  at 1.55e+06
assign (resid  51 and name HD##) (resid  62 and name  HG#)  5.0  3.2  3.0 ! A.843  at 3.82e+05
assign (resid  51 and name HD##) (resid  62 and name  HE#)  3.0  1.2  2.3 ! A.1343 at 8.90e+06
assign (resid  51 and name HD##) (resid  62 and name  HB2)  5.0  3.2  2.0 ! A.876  at -6.39e+05
assign (resid  51 and name HD##) (resid  62 and name  HB1)  5.0  3.2  2.0 ! A.877  at -5.93e+05

! N52

! A53
assign (resid  53 and name   HA) (resid  54 and name  HB#)  4.0  2.2  2.0 ! A.1344 at 8.85e+05
assign (resid  53 and name   HA) (resid  58 and name  HB#)  5.0  3.2  2.0 ! A.506  at -7.99e+05
assign (resid  53 and name   HA) (resid  62 and name  HE#)  3.0  1.2  1.3 ! A.1345 at 6.02e+06
assign (resid  53 and name  HB#) (resid  62 and name  HE#)  3.0  1.2  2.3 ! A.1346 at 1.31e+07

! A54
assign (resid  54 and name  HB#) (resid  55 and name  HB1)  4.0  2.2  2.0 ! A.1348 at 1.00e+06
assign (resid  54 and name  HB#) (resid  55 and name   HA)  5.0  3.2  2.0 ! A.242  at 5.90e+05

! S55
assign (resid  55 and name  HB1) (resid  56 and name   HB)  5.0  3.2  1.0 ! A.857  at 3.96e+05
assign (resid  55 and name  HB2) (resid  56 and name   HB)  5.0  3.2  1.0 ! A.856  at 5.09e+05

! I56
assign (resid  56 and name HG1#) (resid  56 and name   HA)  5.0  3.2  2.0 ! A.1046 at 8.52e+05
assign (resid  56 and name HG2#) (resid  56 and name   HA)  4.0  2.2  2.0 ! A.1050 at 3.21e+06
assign (resid  56 and name HD1#) (resid  56 and name   HA)  3.0  1.2  1.3 ! A.1052 at 5.39e+06
assign (resid  56 and name HG2#) (resid  57 and name   HA)  4.0  2.2  2.0 ! A.245  at 1.80e+06
assign (resid  56 and name HG2#) (resid  60 and name  HG#)  4.0  2.2  3.0 ! A.258  at -1.40e+06
assign (resid  56 and name HG2#) (resid  60 and name  HE#)  3.0  1.2  2.3 ! A.1295 at 1.40e+07
assign (resid  56 and name HG2#) (resid  60 and name  HB#)  4.0  2.2  3.0 ! A.259  at -2.16e+06

! E57
assign (resid  57 and name   HA) (resid  57 and name  HG#)  5.0  3.2  2.0 ! A.1359 at 7.41e+05
assign (resid  57 and name   HA) (resid  60 and name  HG#)  5.0  3.2  2.0 ! A.520  at 5.34e+05

! A58
assign (resid  58 and name   HA) (resid  61 and name  HD#)  5.0  3.2  2.0 ! A.251  at 6.44e+05
assign (resid  58 and name   HA) (resid  61 and name  HG#)  5.0  3.2  2.0 ! A.867  at 6.53e+05
assign (resid  58 and name  HB#) (resid  62 and name  HE#)  3.0  1.2  2.3 ! A.1364 at 9.11e+06

! A59
assign (resid  59 and name   HA) (resid  62 and name  HG#)  4.0  2.2  2.0 ! A.531  at -1.48e+06
assign (resid  59 and name   HA) (resid  62 and name  HB2)  4.0  2.2  1.0 ! A.532  at -1.23e+06

! M60
assign (resid  60 and name   HA) (resid  60 and name  HG#)  4.0  2.2  2.0 ! A.1066 at 9.49e+05
assign (resid  60 and name  HE#) (resid  60 and name   HA)  4.0  2.2  2.0 ! A.1367 at 4.02e+06
assign (resid  60 and name   HA) (resid  63 and name HG2#)  4.0  2.2  2.0 ! A.874  at 2.82e+06
assign (resid  60 and name   HA) (resid  63 and name   HB)  4.0  2.2  1.0 ! A.1090 at -1.97e+06

! R61
assign (resid  61 and name  HB#) (resid  61 and name  HD#)  4.0  2.2  3.0 ! A.1072 at 1.20e+06
assign (resid  61 and name   HA) (resid  61 and name  HD#)  5.0  3.2  2.0 ! A.1070 at 8.15e+05
assign (resid  61 and name   HA) (resid  64 and name  HB#)  4.0  2.2  2.0 ! A.264  at 2.30e+06

! M62
assign (resid  62 and name   HA) (resid  62 and name  HG#)  4.0  2.2  2.0 ! A.1078 at 2.25e+06

! I63
assign (resid  63 and name HD1#) (resid  63 and name   HA)  3.0  1.2  1.3 ! A.1380 at -7.27e+06
assign (resid  63 and name HD1#) (resid  63 and name   HB)  4.0  2.2  2.0 ! A.1102 at -2.53e+06
assign (resid  63 and name   HA) (resid  63 and name HG2#)  4.0  2.2  2.0 ! A.1088 at 2.68e+06
assign (resid  63 and name   HA) (resid  63 and name HG1#)  4.0  2.2  2.0 ! A.1374 at 9.43e+05
assign (resid  63 and name HG2#) (resid  64 and name   HA)  4.0  2.2  2.0 ! A.545  at 1.11e+06
assign (resid  63 and name HG2#) (resid  64 and name  HG#)  4.0  2.2  3.0 ! A.888  at -8.94e+05
assign (resid  63 and name HD1#) (resid  66 and name   HB)  4.0  2.2  2.0 ! A.885  at -9.24e+05
assign (resid  63 and name   HA) (resid  66 and name   HB)  4.0  2.2  1.0 ! A.535  at 2.03e+06
assign (resid  63 and name HG2#) (resid  66 and name   HB)  5.0  3.2  2.0 ! A.271  at 7.85e+05
assign (resid  63 and name   HA) (resid  66 and name HG2#)  4.0  2.2  2.0 ! A.890  at 1.82e+06
assign (resid  63 and name   HA) (resid  67 and name  HB#)  3.0  1.2  1.3 ! A.558  at 8.95e+06
assign (resid  63 and name HG2#) (resid  67 and name  HB#)  4.0  2.2  3.0 ! A.561  at 2.68e+06

! E64
assign (resid  64 and name   HA) (resid  64 and name  HG#)  4.0  2.2  2.0 ! A.1105 at 1.03e+06
assign (resid  64 and name  HB#) (resid  74 and name HG1#)  5.0  3.2  3.0 ! A.548  at 4.66e+05
assign (resid  64 and name  HG#) (resid  74 and name HG1#)  4.0  2.2  3.0 ! A.382  at -1.22e+06
assign (resid  64 and name   HA) (resid  74 and name HG2#)  4.0  2.2  2.0 ! A.544  at 2.08e+06

! G65
assign (resid  65 and name  HA#) (resid  68 and name  HB#)  5.0  3.2  3.0 ! A.550  at -6.51e+05

! T66
assign (resid  66 and name   HA) (resid  66 and name HG2#)  4.0  2.2  2.0 ! A.1112 at 2.81e+06
assign (resid  66 and name   HB) (resid  67 and name  HB#)  4.0  2.2  2.0 ! A.285  at 1.16e+06
assign (resid  66 and name   HA) (resid  69 and name  HB#)  4.0  2.2  2.0 ! A.900  at 2.64e+06
assign (resid  66 and name HG2#) (resid  70 and name  HG#)  4.0  2.2  3.0 ! A.554  at 1.12e+06
assign (resid  66 and name HG2#) (resid  70 and name  HE#)  3.0  1.2  2.3 ! A.1383 at 7.09e+06

! A67
assign (resid  67 and name  HB#) (resid  68 and name  HB#)  4.0  2.2  3.0 ! A.560  at 2.44e+06
assign (resid  67 and name  HB#) (resid  68 and name   HA)  5.0  3.2  2.0 ! A.559  at 7.38e+05
assign (resid  67 and name   HA) (resid  70 and name  HG#)  5.0  3.2  2.0 ! A.646  at 4.77e+05
assign (resid  67 and name   HA) (resid  70 and name  HE#)  3.0  1.2  1.3 ! A.1385 at 9.31e+06
assign (resid  67 and name   HA) (resid  70 and name  HB1)  5.0  3.2  1.0 ! A.1384 at 4.25e+05
assign (resid  67 and name   HA) (resid  70 and name  HB2)  5.0  3.2  1.0 ! A.356  at -7.64e+05
assign (resid  67 and name  HB#) (resid  72 and name HG2#)  3.0  1.2  2.3 ! A.896  at 5.58e+06
assign (resid  67 and name   HA) (resid  72 and name   HB)  4.0  2.2  1.0 ! A.905  at -1.01e+06
assign (resid  67 and name  HB#) (resid  72 and name HD1#)  3.0  1.2  2.3 ! A.895  at 1.37e+07
assign (resid  67 and name   HA) (resid  72 and name HD1#)  4.0  2.2  2.0 ! A.909  at 2.80e+06
assign (resid  67 and name  HB#) (resid  74 and name HG2#)  3.0  1.2  2.3 ! A.1386 at 6.32e+06

! R68
assign (resid  68 and name  HB#) (resid  68 and name  HD#)  5.0  3.2  3.0 ! A.1387 at 8.43e+05
assign (resid  68 and name  HG#) (resid  68 and name   HA)  5.0  3.2  2.0 ! A.1122 at 8.27e+05
assign (resid  68 and name  HD#) (resid  68 and name   HA)  5.0  3.2  2.0 ! A.1124 at -6.60e+05

! S69

! M70
assign (resid  70 and name  HG#) (resid  70 and name   HA)  4.0  2.2  2.0 ! A.1134 at 1.77e+06
assign (resid  70 and name  HE#) (resid  70 and name   HA)  4.0  2.2  2.0 ! A.1392 at 1.77e+06
assign (resid  70 and name  HE#) (resid  70 and name  HG#)  4.0  2.2  3.0 ! A.1394 at 4.37e+06
assign (resid  70 and name  HG#) (resid  72 and name HD1#)  5.0  3.2  3.0 ! A.1396 at 3.79e+05
assign (resid  70 and name  HB2) (resid  72 and name HG1#)  5.0  3.2  2.0 ! A.901  at -7.19e+05
assign (resid  70 and name  HB1) (resid  72 and name HG1#)  5.0  3.2  2.0 ! A.902  at -5.50e+05
assign (resid  70 and name  HE#) (resid  72 and name HD1#)  3.0  1.2  2.3 ! A.1207 at 1.33e+07
assign (resid  70 and name  HB1) (resid  72 and name HD1#)  5.0  3.2  2.0 ! A.293  at -7.13e+05
assign (resid  70 and name  HB2) (resid  72 and name HD1#)  4.0  2.2  2.0 ! A.294  at -8.87e+05

! G71

! I72
assign (resid  72 and name HG1#) (resid  72 and name   HA)  4.0  2.2  2.0 ! A.1140 at 1.12e+06
assign (resid  72 and name HG2#) (resid  72 and name   HA)  3.0  1.2  1.3 ! A.1142 at 5.05e+06
assign (resid  72 and name HD1#) (resid  72 and name   HA)  4.0  2.2  2.0 ! A.1143 at 1.34e+06
assign (resid  72 and name   HA) (resid  73 and name   HA)  4.0  2.2  1.0 ! A.1397 at 1.27e+06
assign (resid  72 and name HG2#) (resid  73 and name   HA)  4.0  2.2  2.0 ! A.299  at 1.06e+06
assign (resid  72 and name HG2#) (resid  73 and name   HB)  5.0  3.2  2.0 ! A.915  at -4.61e+05

! V73
assign (resid  73 and name HG2#) (resid  73 and name   HA)  3.0  1.2  1.3 ! A.1403 at 9.39e+06
assign (resid  73 and name HG1#) (resid  74 and name   HA)  4.0  2.2  2.0 ! A.916  at 1.48e+06
assign (resid  73 and name   HA) (resid  74 and name   HA)  5.0  3.2  1.0 ! A.919  at 3.28e+05
assign (resid  73 and name HG1#) (resid  75 and name  HG#)  4.0  2.2  3.0 ! A.924  at -8.67e+05
assign (resid  73 and name HG1#) (resid  75 and name   HA)  5.0  3.2  2.0 ! A.590  at 5.62e+05

! V74

! E75
assign (resid  75 and name  HG#) (resid  75 and name   HA)  4.0  2.2  2.0 ! A.1266 at -1.30e+06

! D76

!@ END_XPLR_NOE_FILE

!START_OF_HB_DATA
!Hydrogen bonds based on exchange data and preliminary structures 5-3-96 
! helix 1 - none 
! helix 2
assign (resid  40 and name    HN) (resid  36 and name     O)  1.95 0.35 0.35
assign (resid  40 and name     N) (resid  36 and name     O)  2.90 0.40 0.40
assign (resid  41 and name    HN) (resid  37 and name     O)  1.95 0.35 0.35
assign (resid  41 and name     N) (resid  37 and name     O)  2.90 0.40 0.40
!assign (resid  42 and name    HN) (resid  38 and name     O)  1.95 0.35 0.35
!assign (resid  42 and name     N) (resid  38 and name     O)  2.90 0.40 0.40
assign (resid  43 and name    HN) (resid  39 and name     O)  1.95 0.35 0.35
assign (resid  43 and name     N) (resid  39 and name     O)  2.90 0.40 0.40
assign (resid  44 and name    HN) (resid  40 and name     O)  1.95 0.35 0.35
assign (resid  44 and name     N) (resid  40 and name     O)  2.90 0.40 0.40
assign (resid  45 and name    HN) (resid  41 and name     O)  1.95 0.35 0.35
assign (resid  45 and name     N) (resid  41 and name     O)  2.90 0.40 0.40
assign (resid  46 and name    HN) (resid  42 and name     O)  1.95 0.35 0.35
assign (resid  46 and name     N) (resid  42 and name     O)  2.90 0.40 0.40
assign (resid  47 and name    HN) (resid  43 and name     O)  1.95 0.35 0.35
assign (resid  47 and name     N) (resid  43 and name     O)  2.90 0.40 0.40
! helix 3
!assign (resid  58 and name    HN) (resid  54 and name     O)  1.95 0.35 0.35
!assign (resid  58 and name     N) (resid  54 and name     O)  2.90 0.40 0.40
assign (resid  59 and name    HN) (resid  55 and name     O)  1.95 0.35 0.35
assign (resid  59 and name     N) (resid  55 and name     O)  2.90 0.40 0.40
assign (resid  60 and name    HN) (resid  56 and name     O)  1.95 0.35 0.35
assign (resid  60 and name     N) (resid  56 and name     O)  2.90 0.40 0.40
!assign (resid  61 and name    HN) (resid  57 and name     O)  1.95 0.35 0.35
!assign (resid  61 and name     N) (resid  57 and name     O)  2.90 0.40 0.40
!assign (resid  62 and name    HN) (resid  58 and name     O)  1.95 0.35 0.35
!assign (resid  62 and name     N) (resid  58 and name     O)  2.90 0.40 0.40
assign (resid  63 and name    HN) (resid  59 and name     O)  1.95 0.35 0.35
assign (resid  63 and name     N) (resid  59 and name     O)  2.90 0.40 0.40
assign (resid  64 and name    HN) (resid  60 and name     O)  1.95 0.35 0.35
assign (resid  64 and name     N) (resid  60 and name     O)  2.90 0.40 0.40
assign (resid  67 and name    HN) (resid  63 and name     O)  1.95 0.35 0.35
assign (resid  67 and name     N) (resid  63 and name     O)  2.90 0.40 0.40
!assign (resid  68 and name    HN) (resid  64 and name     O)  1.95 0.35 0.35
!assign (resid  68 and name     N) (resid  64 and name     O)  2.90 0.40 0.40
! parallel sheet 
assign (resid  35 and name    HN) (resid  73 and name     O)  1.95 0.35 0.35
assign (resid  35 and name     N) (resid  73 and name     O)  2.90 0.40 0.40
assign (resid  73 and name    HN) (resid  33 and name     O)  1.95 0.35 0.35
assign (resid  73 and name     N) (resid  33 and name     O)  2.90 0.40 0.40
assign (resid  75 and name    HN) (resid  35 and name     O)  1.95 0.35 0.35
assign (resid  75 and name     N) (resid  35 and name     O)  2.90 0.40 0.40

!START_OF_TOR_DATA
restraints
  dihedral
    reset
! backbone phi
!  parallel beta sheet
assign (resid  33 and name     C) (resid  34 and name     N)
       (resid  34 and name    CA) (resid  34 and name     C) 1.0 -120.0   40.0 2
assign (resid  69 and name     C) (resid  70 and name     N)
       (resid  70 and name    CA) (resid  70 and name     C) 1.0 -120.0   40.0 2
assign (resid  72 and name     C) (resid  73 and name     N)
       (resid  73 and name    CA) (resid  73 and name     C) 1.0 -120.0   40.0 2
assign (resid  73 and name     C) (resid  74 and name     N)
       (resid  74 and name    CA) (resid  74 and name     C) 1.0 -120.0   40.0 2
assign (resid  74 and name     C) (resid  75 and name     N)
       (resid  75 and name    CA) (resid  75 and name     C) 1.0 -120.0   40.0 2
!  alpha helix #1
assign (resid  10 and name     C) (resid  11 and name     N)
       (resid  11 and name    CA) (resid  11 and name     C) 1.0  -65.0   25.0 2
assign (resid  12 and name     C) (resid  13 and name     N)
       (resid  13 and name    CA) (resid  13 and name     C) 1.0  -65.0   25.0 2
assign (resid  13 and name     C) (resid  14 and name     N)
       (resid  14 and name    CA) (resid  14 and name     C) 1.0  -65.0   25.0 2
assign (resid  14 and name     C) (resid  15 and name     N)
       (resid  15 and name    CA) (resid  15 and name     C) 1.0  -65.0   25.0 2
assign (resid  15 and name     C) (resid  16 and name     N)
       (resid  16 and name    CA) (resid  16 and name     C) 1.0  -65.0   25.0 2
assign (resid  16 and name     C) (resid  17 and name     N)
       (resid  17 and name    CA) (resid  17 and name     C) 1.0  -65.0   25.0 2
!  alpha helix #2
assign (resid  35 and name     C) (resid  36 and name     N)
       (resid  36 and name    CA) (resid  36 and name     C) 1.0  -65.0   25.0 2
assign (resid  36 and name     C) (resid  37 and name     N)
       (resid  37 and name    CA) (resid  37 and name     C) 1.0  -65.0   25.0 2
assign (resid  37 and name     C) (resid  38 and name     N)
       (resid  38 and name    CA) (resid  38 and name     C) 1.0  -65.0   25.0 2
assign (resid  39 and name     C) (resid  40 and name     N)
       (resid  40 and name    CA) (resid  40 and name     C) 1.0  -65.0   25.0 2
assign (resid  40 and name     C) (resid  41 and name     N)
       (resid  41 and name    CA) (resid  41 and name     C) 1.0  -65.0   25.0 2
assign (resid  41 and name     C) (resid  42 and name     N)
       (resid  42 and name    CA) (resid  42 and name     C) 1.0  -65.0   25.0 2
assign (resid  42 and name     C) (resid  43 and name     N)
       (resid  43 and name    CA) (resid  43 and name     C) 1.0  -65.0   25.0 2
assign (resid  43 and name     C) (resid  44 and name     N)
       (resid  44 and name    CA) (resid  44 and name     C) 1.0  -65.0   25.0 2
assign (resid  44 and name     C) (resid  45 and name     N)
       (resid  45 and name    CA) (resid  45 and name     C) 1.0  -65.0   25.0 2
assign (resid  45 and name     C) (resid  46 and name     N)
       (resid  46 and name    CA) (resid  46 and name     C) 1.0  -65.0   25.0 2
assign (resid  47 and name     C) (resid  48 and name     N)
       (resid  48 and name    CA) (resid  48 and name     C) 1.0  -65.0   25.0 2
!  alpha helix #3
assign (resid  53 and name     C) (resid  54 and name     N)
       (resid  54 and name    CA) (resid  54 and name     C) 1.0  -65.0   25.0 2
assign (resid  55 and name     C) (resid  56 and name     N)
       (resid  56 and name    CA) (resid  56 and name     C) 1.0  -65.0   25.0 2
assign (resid  56 and name     C) (resid  57 and name     N)
       (resid  57 and name    CA) (resid  57 and name     C) 1.0  -65.0   25.0 2
assign (resid  57 and name     C) (resid  58 and name     N)
       (resid  58 and name    CA) (resid  58 and name     C) 1.0  -65.0   25.0 2
assign (resid  58 and name     C) (resid  59 and name     N)
       (resid  59 and name    CA) (resid  59 and name     C) 1.0  -65.0   25.0 2
assign (resid  59 and name     C) (resid  60 and name     N)
       (resid  60 and name    CA) (resid  60 and name     C) 1.0  -65.0   25.0 2
assign (resid  60 and name     C) (resid  61 and name     N)
       (resid  61 and name    CA) (resid  61 and name     C) 1.0  -65.0   25.0 2
assign (resid  61 and name     C) (resid  62 and name     N)
       (resid  62 and name    CA) (resid  62 and name     C) 1.0  -65.0   25.0 2
assign (resid  62 and name     C) (resid  63 and name     N)
       (resid  63 and name    CA) (resid  63 and name     C) 1.0  -65.0   25.0 2
assign (resid  63 and name     C) (resid  64 and name     N)
       (resid  64 and name    CA) (resid  64 and name     C) 1.0  -65.0   25.0 2
assign (resid  65 and name     C) (resid  66 and name     N)
       (resid  66 and name    CA) (resid  66 and name     C) 1.0  -65.0   25.0 2
assign (resid  66 and name     C) (resid  67 and name     N)
       (resid  67 and name    CA) (resid  67 and name     C) 1.0  -65.0   25.0 2
assign (resid  68 and name     C) (resid  69 and name     N)
       (resid  69 and name    CA) (resid  69 and name     C) 1.0  -65.0   25.0 2
! chi one   
!  VAL  12
assign (resid  12 and name     N) (resid  12 and name    CA)
       (resid  12 and name    CB) (resid  12 and name   CG1) 1.0   60.0   40.0 2
!  LEU  13
assign (resid  13 and name     N) (resid  13 and name    CA)
       (resid  13 and name    CB) (resid  13 and name    CG) 1.0  -60.0   40.0 2
!  LEU  14
assign (resid  14 and name     N) (resid  14 and name    CA)
       (resid  14 and name    CB) (resid  14 and name    CG) 1.0  -60.0   40.0 2
!  LYS  15
assign (resid  15 and name     N) (resid  15 and name    CA)
       (resid  15 and name    CB) (resid  15 and name    CG) 1.0  -60.0   40.0 2
!  GLU  26
assign (resid  26 and name     N) (resid  26 and name    CA)
       (resid  26 and name    CB) (resid  26 and name    CG) 1.0  -60.0   40.0 2
!  VAL  32
assign (resid  32 and name     N) (resid  32 and name    CA)
       (resid  32 and name    CB) (resid  32 and name   CG1) 1.0   60.0   40.0 2
!  LYS  36
assign (resid  36 and name     N) (resid  36 and name    CA)
       (resid  36 and name    CB) (resid  36 and name    CG) 1.0  -60.0   40.0 2
!  ARG  37
assign (resid  37 and name     N) (resid  37 and name    CA)
       (resid  37 and name    CB) (resid  37 and name    CG) 1.0  180.0   40.0 2
!  VAL  40
assign (resid  40 and name     N) (resid  40 and name    CA)
       (resid  40 and name    CB) (resid  40 and name   CG1) 1.0   60.0   40.0 2
!  ARG  41
assign (resid  41 and name     N) (resid  41 and name    CA)
       (resid  41 and name    CB) (resid  41 and name    CG) 1.0  180.0   40.0 2
!  LYS  47
assign (resid  47 and name     N) (resid  47 and name    CA)
       (resid  47 and name    CB) (resid  47 and name    CG) 1.0  -60.0   40.0 2
!  ASP  50
assign (resid  50 and name     N) (resid  50 and name    CA)
       (resid  50 and name    CB) (resid  50 and name    CG) 1.0  -60.0   40.0 2
!  SER  55
assign (resid  55 and name     N) (resid  55 and name    CA)
       (resid  55 and name    CB) (resid  55 and name    OG) 1.0   60.0   40.0 2
!  GLU  57
assign (resid  57 and name     N) (resid  57 and name    CA)
       (resid  57 and name    CB) (resid  57 and name    CG) 1.0  -60.0   40.0 2
!  MET  62
assign (resid  62 and name     N) (resid  62 and name    CA)
       (resid  62 and name    CB) (resid  62 and name    CG) 1.0  -60.0   40.0 2
!  MET  70
assign (resid  70 and name     N) (resid  70 and name    CA)
       (resid  70 and name    CB) (resid  70 and name    CG) 1.0  -60.0   40.0 2
!  VAL  73
assign (resid  73 and name     N) (resid  73 and name    CA)
       (resid  73 and name    CB) (resid  73 and name   CG1) 1.0   60.0   40.0 2
!  VAL  74
assign (resid  74 and name     N) (resid  74 and name    CA)
       (resid  74 and name    CB) (resid  74 and name   CG1) 1.0   60.0   40.0 2
! chi two
!  LEU  13
assign (resid  13 and name    CA) (resid  13 and name    CB)
       (resid  13 and name    CG) (resid  13 and name   CD1) 1.0  180.0   40.0 2
!  LEU  14
assign (resid  14 and name    CA) (resid  14 and name    CB)
       (resid  14 and name    CG) (resid  14 and name   CD1) 1.0  180.0   40.0 2
!END_OF_DATA
end

  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1          1H        MET   1  19.376  12.720  -1.062
    2   2H    MET   1          2H        MET   1  19.845  11.655   0.176
    3   3H    MET   1          3H        MET   1  21.011  12.589  -0.634
    4    HA   MET   1           HA       MET   1  21.330  10.925  -2.038
    5   1HB   MET   1          1HB       MET   1  19.997   9.691  -0.051
    6   2HB   MET   1          2HB       MET   1  18.830   9.456  -1.352
    7   1HG   MET   1          1HG       MET   1  20.400   7.571  -1.280
    8   2HG   MET   1          2HG       MET   1  20.626   8.491  -2.767
    9   1HE   MET   1          1HE       MET   1  22.178   9.400  -3.555
   10   2HE   MET   1          2HE       MET   1  23.554  10.237  -2.823
   11   3HE   MET   1          3HE       MET   1  23.697   8.546  -3.294
   12    H    THR   2           H        THR   2  20.576  12.804  -3.496
   13    HA   THR   2           HA       THR   2  19.589  13.280  -5.568
   14    HB   THR   2           HB       THR   2  19.357  10.570  -5.456
   15    HG1  THR   2           HG1      THR   2  18.255  10.977  -7.602
   16   1HG2  THR   2          1HG2      THR   2  16.910  11.212  -4.491
   17   2HG2  THR   2          2HG2      THR   2  16.572  11.244  -6.221
   18   3HG2  THR   2          3HG2      THR   2  17.211   9.781  -5.475
   19    H    PHE   3           H        PHE   3  16.864  13.078  -6.300
   20    HA   PHE   3           HA       PHE   3  15.713  14.960  -4.324
   21   1HB   PHE   3          1HB       PHE   3  14.305  14.215  -6.859
   22   2HB   PHE   3          2HB       PHE   3  14.402  15.780  -6.051
   23    HD1  PHE   3           HD1      PHE   3  16.581  17.068  -6.113
   24    HD2  PHE   3           HD2      PHE   3  15.871  13.596  -8.542
   25    HE1  PHE   3           HE1      PHE   3  18.467  17.713  -7.588
   26    HE2  PHE   3           HE2      PHE   3  17.757  14.242 -10.016
   27    HZ   PHE   3           HZ       PHE   3  19.056  16.301  -9.539
   28    H    ILE   4           H        ILE   4  15.694  12.502  -3.176
   29    HA   ILE   4           HA       ILE   4  12.820  11.935  -2.979
   30    HB   ILE   4           HB       ILE   4  14.537   9.531  -3.487
   31   1HG1  ILE   4          1HG1      ILE   4  13.196  11.162  -5.667
   32   2HG1  ILE   4          2HG1      ILE   4  14.933  11.130  -5.381
   33   1HG2  ILE   4          1HG2      ILE   4  12.020   9.688  -2.705
   34   2HG2  ILE   4          2HG2      ILE   4  11.719   9.992  -4.417
   35   3HG2  ILE   4          3HG2      ILE   4  12.492   8.490  -3.910
   36   1HD1  ILE   4          1HD1      ILE   4  13.426   8.557  -5.754
   37   2HD1  ILE   4          2HD1      ILE   4  13.923   9.503  -7.157
   38   3HD1  ILE   4          3HD1      ILE   4  15.135   8.889  -6.033
   39    H    THR   5           H        THR   5  13.598   9.279  -1.739
   40    HA   THR   5           HA       THR   5  14.505   8.436   0.276
   41    HB   THR   5           HB       THR   5  16.037   9.620   1.566
   42    HG1  THR   5           HG1      THR   5  15.595  11.543   2.214
   43   1HG2  THR   5          1HG2      THR   5  16.226   9.895  -1.234
   44   2HG2  THR   5          2HG2      THR   5  16.716  11.448  -0.559
   45   3HG2  THR   5          3HG2      THR   5  17.541   9.970  -0.062
   46    H    LYS   6           H        LYS   6  12.590  11.379   0.136
   47    HA   LYS   6           HA       LYS   6  11.409  10.804   2.790
   48   1HB   LYS   6          1HB       LYS   6  11.012  13.038   0.783
   49   2HB   LYS   6          2HB       LYS   6  10.036  12.878   2.244
   50   1HG   LYS   6          1HG       LYS   6  11.681  13.721   3.532
   51   2HG   LYS   6          2HG       LYS   6  12.872  12.621   2.835
   52   1HD   LYS   6          1HD       LYS   6  13.765  14.497   1.919
   53   2HD   LYS   6          2HD       LYS   6  12.444  14.361   0.758
   54   1HE   LYS   6          1HE       LYS   6  11.629  16.329   1.479
   55   2HE   LYS   6          2HE       LYS   6  11.390  15.624   3.078
   56   1HZ   LYS   6          1HZ       LYS   6  13.966  16.062   3.215
   57   2HZ   LYS   6          2HZ       LYS   6  13.591  17.265   2.076
   58   3HZ   LYS   6          3HZ       LYS   6  12.840  17.270   3.599
   59    H    THR   7           H        THR   7  11.018   8.805   0.832
   60    HA   THR   7           HA       THR   7   8.808   8.810  -0.798
   61    HB   THR   7           HB       THR   7   8.369   6.428   0.304
   62    HG1  THR   7           HG1      THR   7  10.289   5.735   1.327
   63   1HG2  THR   7          1HG2      THR   7   9.562   7.152  -1.899
   64   2HG2  THR   7          2HG2      THR   7  11.047   6.844  -0.999
   65   3HG2  THR   7          3HG2      THR   7   9.883   5.543  -1.251
   66    HA   PRO   8           HA       PRO   8   5.318   9.772   1.695
   67   1HB   PRO   8          1HB       PRO   8   3.383   8.726   0.042
   68   2HB   PRO   8          2HB       PRO   8   4.230  10.247  -0.286
   69   1HG   PRO   8          1HG       PRO   8   4.577   7.585  -1.583
   70   2HG   PRO   8          2HG       PRO   8   4.894   9.201  -2.236
   71   1HD   PRO   8          1HD       PRO   8   6.842   7.395  -1.256
   72   2HD   PRO   8          2HD       PRO   8   7.095   9.119  -1.605
   73    HA   PRO   9           HA       PRO   9   3.965   6.180   3.877
   74   1HB   PRO   9          1HB       PRO   9   1.303   6.711   4.328
   75   2HB   PRO   9          2HB       PRO   9   2.626   7.527   5.180
   76   1HG   PRO   9          1HG       PRO   9   0.872   8.566   3.001
   77   2HG   PRO   9          2HG       PRO   9   1.715   9.452   4.282
   78   1HD   PRO   9          1HD       PRO   9   2.549   9.260   1.592
   79   2HD   PRO   9          2HD       PRO   9   3.547   9.820   2.950
   80    H    ALA  10           H        ALA  10   2.907   4.135   3.613
   81    HA   ALA  10           HA       ALA  10   2.179   3.461   0.892
   82   1HB   ALA  10          1HB       ALA  10   2.929   2.058   3.235
   83   2HB   ALA  10          2HB       ALA  10   1.334   1.457   2.783
   84   3HB   ALA  10          3HB       ALA  10   2.662   1.389   1.625
   85    H    ALA  11           H        ALA  11   0.447   4.996   3.288
   86    HA   ALA  11           HA       ALA  11  -2.141   3.717   2.663
   87   1HB   ALA  11          1HB       ALA  11  -1.107   5.557   4.718
   88   2HB   ALA  11          2HB       ALA  11  -2.731   5.952   4.152
   89   3HB   ALA  11          3HB       ALA  11  -2.395   4.358   4.829
   90    H    VAL  12           H        VAL  12  -0.187   6.230   1.453
   91    HA   VAL  12           HA       VAL  12  -2.536   7.618   0.257
   92    HB   VAL  12           HB       VAL  12  -0.806   8.994   1.436
   93   1HG1  VAL  12          1HG1      VAL  12   0.922   7.731  -0.684
   94   2HG1  VAL  12          2HG1      VAL  12   1.331   9.311  -0.018
   95   3HG1  VAL  12          3HG1      VAL  12   1.240   7.906   1.042
   96   1HG2  VAL  12          1HG2      VAL  12  -1.914   9.356  -1.186
   97   2HG2  VAL  12          2HG2      VAL  12  -1.536  10.584   0.022
   98   3HG2  VAL  12          3HG2      VAL  12  -0.310  10.089  -1.145
   99    H    LEU  13           H        LEU  13   0.297   5.698  -0.519
  100    HA   LEU  13           HA       LEU  13  -0.108   6.095  -3.421
  101   1HB   LEU  13          1HB       LEU  13   1.969   4.809  -1.697
  102   2HB   LEU  13          2HB       LEU  13   1.782   4.203  -3.343
  103    HG   LEU  13           HG       LEU  13   2.307   7.078  -2.534
  104   1HD1  LEU  13          1HD1      LEU  13   3.963   4.987  -3.977
  105   2HD1  LEU  13          2HD1      LEU  13   4.406   6.690  -3.857
  106   3HD1  LEU  13          3HD1      LEU  13   4.304   5.701  -2.400
  107   1HD2  LEU  13          1HD2      LEU  13   1.098   5.939  -4.904
  108   2HD2  LEU  13          2HD2      LEU  13   1.381   7.636  -4.514
  109   3HD2  LEU  13          3HD2      LEU  13   2.639   6.694  -5.314
  110    H    LEU  14           H        LEU  14  -0.391   3.512  -0.986
  111    HA   LEU  14           HA       LEU  14  -1.150   1.424  -2.764
  112   1HB   LEU  14          1HB       LEU  14  -1.964   1.910   0.119
  113   2HB   LEU  14          2HB       LEU  14  -2.215   0.396  -0.752
  114    HG   LEU  14           HG       LEU  14   0.473   1.714  -0.259
  115   1HD1  LEU  14          1HD1      LEU  14  -0.913   0.482   1.641
  116   2HD1  LEU  14          2HD1      LEU  14  -0.332  -0.964   0.815
  117   3HD1  LEU  14          3HD1      LEU  14   0.820   0.203   1.466
  118   1HD2  LEU  14          1HD2      LEU  14  -0.297  -0.917  -1.561
  119   2HD2  LEU  14          2HD2      LEU  14   0.417   0.477  -2.372
  120   3HD2  LEU  14          3HD2      LEU  14   1.354  -0.427  -1.183
  121    H    LYS  15           H        LYS  15  -3.294   3.459  -0.732
  122    HA   LYS  15           HA       LYS  15  -5.751   2.649  -1.799
  123   1HB   LYS  15          1HB       LYS  15  -4.728   5.082  -0.467
  124   2HB   LYS  15          2HB       LYS  15  -6.175   5.330  -1.446
  125   1HG   LYS  15          1HG       LYS  15  -6.974   3.116  -0.218
  126   2HG   LYS  15          2HG       LYS  15  -5.804   3.638   0.995
  127   1HD   LYS  15          1HD       LYS  15  -7.566   5.781  -0.017
  128   2HD   LYS  15          2HD       LYS  15  -8.392   4.514   0.890
  129   1HE   LYS  15          1HE       LYS  15  -7.189   4.941   2.844
  130   2HE   LYS  15          2HE       LYS  15  -5.847   5.683   1.974
  131   1HZ   LYS  15          1HZ       LYS  15  -8.465   6.966   1.779
  132   2HZ   LYS  15          2HZ       LYS  15  -7.632   7.112   3.252
  133   3HZ   LYS  15          3HZ       LYS  15  -6.915   7.662   1.817
  134    H    LYS  16           H        LYS  16  -3.249   4.558  -3.280
  135    HA   LYS  16           HA       LYS  16  -4.765   5.900  -5.280
  136   1HB   LYS  16          1HB       LYS  16  -2.061   5.640  -4.639
  137   2HB   LYS  16          2HB       LYS  16  -2.189   4.939  -6.252
  138   1HG   LYS  16          1HG       LYS  16  -3.718   7.119  -6.626
  139   2HG   LYS  16          2HG       LYS  16  -2.657   7.741  -5.362
  140   1HD   LYS  16          1HD       LYS  16  -0.986   7.995  -6.844
  141   2HD   LYS  16          2HD       LYS  16  -1.078   6.286  -7.273
  142   1HE   LYS  16          1HE       LYS  16  -2.336   6.685  -9.137
  143   2HE   LYS  16          2HE       LYS  16  -3.237   7.994  -8.372
  144   1HZ   LYS  16          1HZ       LYS  16  -1.056   9.274  -8.520
  145   2HZ   LYS  16          2HZ       LYS  16  -0.564   8.086  -9.626
  146   3HZ   LYS  16          3HZ       LYS  16  -1.927   9.043  -9.960
  147    H    ALA  17           H        ALA  17  -3.123   2.723  -5.405
  148    HA   ALA  17           HA       ALA  17  -3.780   1.962  -8.008
  149   1HB   ALA  17          1HB       ALA  17  -2.720   0.681  -5.796
  150   2HB   ALA  17          2HB       ALA  17  -4.223  -0.200  -6.074
  151   3HB   ALA  17          3HB       ALA  17  -3.024  -0.074  -7.361
  152    H    ALA  18           H        ALA  18  -5.705   0.842  -5.203
  153    HA   ALA  18           HA       ALA  18  -7.954  -0.047  -6.545
  154   1HB   ALA  18          1HB       ALA  18  -7.651   1.356  -3.898
  155   2HB   ALA  18          2HB       ALA  18  -9.248   0.886  -4.480
  156   3HB   ALA  18          3HB       ALA  18  -8.010  -0.341  -4.215
  157    H    GLY  19           H        GLY  19  -7.715   3.281  -5.221
  158   1HA   GLY  19          1HA       GLY  19  -8.163   5.079  -7.004
  159   2HA   GLY  19          2HA       GLY  19  -9.594   4.123  -7.389
  160    H    ILE  20           H        ILE  20  -8.284   4.807  -4.158
  161    HA   ILE  20           HA       ILE  20 -10.870   6.181  -3.544
  162    HB   ILE  20           HB       ILE  20  -9.038   4.944  -1.489
  163   1HG1  ILE  20          1HG1      ILE  20 -11.234   3.224  -1.970
  164   2HG1  ILE  20          2HG1      ILE  20 -10.532   3.579  -3.549
  165   1HG2  ILE  20          1HG2      ILE  20 -11.739   6.137  -1.595
  166   2HG2  ILE  20          2HG2      ILE  20 -11.630   4.640  -0.668
  167   3HG2  ILE  20          3HG2      ILE  20 -10.613   6.017  -0.243
  168   1HD1  ILE  20          1HD1      ILE  20  -8.257   3.071  -2.483
  169   2HD1  ILE  20          2HD1      ILE  20  -9.163   2.391  -1.131
  170   3HD1  ILE  20          3HD1      ILE  20  -9.326   1.691  -2.741
  171    H    GLU  21           H        GLU  21  -9.165   7.880  -4.668
  172    HA   GLU  21           HA       GLU  21  -7.376   9.075  -2.659
  173   1HB   GLU  21          1HB       GLU  21  -8.125  10.288  -5.322
  174   2HB   GLU  21          2HB       GLU  21  -6.640  10.512  -4.397
  175   1HG   GLU  21          1HG       GLU  21  -5.930   8.253  -4.845
  176   2HG   GLU  21          2HG       GLU  21  -7.490   7.849  -5.563
  177    H    SER  22           H        SER  22 -10.013   9.041  -1.740
  178    HA   SER  22           HA       SER  22 -11.603  10.479  -0.787
  179   1HB   SER  22          1HB       SER  22  -9.409  11.720  -0.240
  180   2HB   SER  22          2HB       SER  22  -9.803  12.765  -1.603
  181    HG   SER  22           HG       SER  22 -10.827  13.755   0.001
  182    H    GLY  23           H        GLY  23 -12.502   9.696  -3.105
  183   1HA   GLY  23          1HA       GLY  23 -12.749  11.313  -5.332
  184   2HA   GLY  23          2HA       GLY  23 -14.094  10.348  -4.722
  185    H    SER  24           H        SER  24 -15.040  11.471  -2.573
  186    HA   SER  24           HA       SER  24 -14.973  14.284  -2.280
  187   1HB   SER  24          1HB       SER  24 -16.808  13.261  -4.410
  188   2HB   SER  24          2HB       SER  24 -17.369  14.585  -3.393
  189    HG   SER  24           HG       SER  24 -15.752  14.717  -5.457
  190    H    GLY  25           H        GLY  25 -16.858  11.319  -2.142
  191   1HA   GLY  25          1HA       GLY  25 -17.462  10.928   0.375
  192   2HA   GLY  25          2HA       GLY  25 -18.390  12.414   0.167
  193    H    GLU  26           H        GLU  26 -18.001   9.178  -1.303
  194    HA   GLU  26           HA       GLU  26 -20.961   9.165  -1.715
  195   1HB   GLU  26          1HB       GLU  26 -18.793   8.356  -3.664
  196   2HB   GLU  26          2HB       GLU  26 -20.466   7.821  -3.832
  197   1HG   GLU  26          1HG       GLU  26 -20.664  10.571  -3.371
  198   2HG   GLU  26          2HG       GLU  26 -19.290  10.409  -4.465
  199    HA   PRO  27           HA       PRO  27 -19.410   5.337   0.429
  200   1HB   PRO  27          1HB       PRO  27 -20.689   5.782   2.817
  201   2HB   PRO  27          2HB       PRO  27 -19.046   6.351   2.472
  202   1HG   PRO  27          1HG       PRO  27 -21.579   7.913   2.615
  203   2HG   PRO  27          2HG       PRO  27 -19.912   8.453   2.874
  204   1HD   PRO  27          1HD       PRO  27 -21.462   8.860   0.526
  205   2HD   PRO  27          2HD       PRO  27 -19.717   9.146   0.701
  206    H    ASN  28           H        ASN  28 -21.608   5.647  -1.423
  207    HA   ASN  28           HA       ASN  28 -24.188   5.155  -0.593
  208   1HB   ASN  28          1HB       ASN  28 -22.570   4.056  -2.868
  209   2HB   ASN  28          2HB       ASN  28 -24.197   3.433  -2.593
  210   1HD2  ASN  28          1HD2      ASN  28 -25.577   6.868  -3.019
  211   2HD2  ASN  28          2HD2      ASN  28 -25.601   5.698  -1.790
  212    H    ARG  29           H        ARG  29 -22.702   2.203  -1.751
  213    HA   ARG  29           HA       ARG  29 -22.790   0.935   0.901
  214   1HB   ARG  29          1HB       ARG  29 -24.928   0.620  -1.125
  215   2HB   ARG  29          2HB       ARG  29 -24.321  -0.884  -0.431
  216   1HG   ARG  29          1HG       ARG  29 -25.027  -0.344   1.710
  217   2HG   ARG  29          2HG       ARG  29 -24.932   1.392   1.416
  218   1HD   ARG  29          1HD       ARG  29 -27.286   0.230   1.545
  219   2HD   ARG  29          2HD       ARG  29 -26.987   1.455   0.312
  220    HE   ARG  29           HE       ARG  29 -27.064  -1.484  -0.179
  221   1HH1  ARG  29          1HH1      ARG  29 -25.657  -1.211  -2.360
  222   2HH1  ARG  29          2HH1      ARG  29 -26.537  -0.278  -3.525
  223   1HH2  ARG  29          1HH2      ARG  29 -28.757   1.021  -1.200
  224   2HH2  ARG  29          2HH2      ARG  29 -28.291   0.986  -2.868
  225    H    ASN  30           H        ASN  30 -21.840  -1.226   0.844
  226    HA   ASN  30           HA       ASN  30 -20.215  -2.746   0.098
  227   1HB   ASN  30          1HB       ASN  30 -21.095  -2.114  -2.717
  228   2HB   ASN  30          2HB       ASN  30 -20.543  -3.653  -2.054
  229   1HD2  ASN  30          1HD2      ASN  30 -23.341  -1.714  -2.670
  230   2HD2  ASN  30          2HD2      ASN  30 -24.469  -2.707  -1.880
  231    H    LYS  31           H        LYS  31 -18.558  -2.774  -2.116
  232    HA   LYS  31           HA       LYS  31 -16.698  -1.705  -3.080
  233   1HB   LYS  31          1HB       LYS  31 -17.883   0.917  -2.153
  234   2HB   LYS  31          2HB       LYS  31 -16.803   0.632  -3.519
  235   1HG   LYS  31          1HG       LYS  31 -19.155  -1.009  -3.796
  236   2HG   LYS  31          2HG       LYS  31 -19.634   0.671  -3.549
  237   1HD   LYS  31          1HD       LYS  31 -18.995   1.210  -5.637
  238   2HD   LYS  31          2HD       LYS  31 -17.382   0.556  -5.349
  239   1HE   LYS  31          1HE       LYS  31 -19.797  -1.127  -6.074
  240   2HE   LYS  31          2HE       LYS  31 -18.583  -0.582  -7.232
  241   1HZ   LYS  31          1HZ       LYS  31 -16.974  -1.644  -5.485
  242   2HZ   LYS  31          2HZ       LYS  31 -18.347  -2.552  -5.076
  243   3HZ   LYS  31          3HZ       LYS  31 -17.738  -2.603  -6.661
  244    H    VAL  32           H        VAL  32 -15.390  -2.631  -1.378
  245    HA   VAL  32           HA       VAL  32 -14.755  -0.745   0.851
  246    HB   VAL  32           HB       VAL  32 -15.520  -2.990   1.559
  247   1HG1  VAL  32          1HG1      VAL  32 -13.119  -3.912  -0.048
  248   2HG1  VAL  32          2HG1      VAL  32 -14.033  -4.938   1.057
  249   3HG1  VAL  32          3HG1      VAL  32 -14.811  -4.280  -0.382
  250   1HG2  VAL  32          1HG2      VAL  32 -13.301  -1.605   2.452
  251   2HG2  VAL  32          2HG2      VAL  32 -14.040  -2.975   3.281
  252   3HG2  VAL  32          3HG2      VAL  32 -12.662  -3.231   2.210
  253    H    ALA  33           H        ALA  33 -13.709  -0.429  -1.837
  254    HA   ALA  33           HA       ALA  33 -11.660  -0.202  -2.974
  255   1HB   ALA  33          1HB       ALA  33 -10.920   0.244  -0.075
  256   2HB   ALA  33          2HB       ALA  33  -9.765   0.465  -1.390
  257   3HB   ALA  33          3HB       ALA  33 -11.219   1.460  -1.318
  258    H    THR  34           H        THR  34 -11.629  -2.474  -3.649
  259    HA   THR  34           HA       THR  34 -10.007  -4.309  -1.986
  260    HB   THR  34           HB       THR  34 -10.533  -5.703  -4.269
  261    HG1  THR  34           HG1      THR  34 -12.729  -5.112  -4.766
  262   1HG2  THR  34          1HG2      THR  34 -12.081  -5.283  -1.727
  263   2HG2  THR  34          2HG2      THR  34 -12.696  -6.380  -2.964
  264   3HG2  THR  34          3HG2      THR  34 -11.122  -6.676  -2.226
  265    H    ILE  35           H        ILE  35  -7.859  -4.612  -2.365
  266    HA   ILE  35           HA       ILE  35  -6.774  -3.605  -4.969
  267    HB   ILE  35           HB       ILE  35  -5.534  -3.614  -2.205
  268   1HG1  ILE  35          1HG1      ILE  35  -6.356  -1.464  -4.176
  269   2HG1  ILE  35          2HG1      ILE  35  -6.977  -1.718  -2.546
  270   1HG2  ILE  35          1HG2      ILE  35  -3.918  -4.297  -3.999
  271   2HG2  ILE  35          2HG2      ILE  35  -4.270  -2.783  -4.833
  272   3HG2  ILE  35          3HG2      ILE  35  -3.510  -2.757  -3.242
  273   1HD1  ILE  35          1HD1      ILE  35  -4.395  -1.437  -1.921
  274   2HD1  ILE  35          2HD1      ILE  35  -4.390  -0.512  -3.423
  275   3HD1  ILE  35          3HD1      ILE  35  -5.457  -0.040  -2.100
  276    H    LYS  36           H        LYS  36  -6.433  -5.417  -6.189
  277    HA   LYS  36           HA       LYS  36  -6.090  -8.047  -5.383
  278   1HB   LYS  36          1HB       LYS  36  -4.954  -6.514  -7.713
  279   2HB   LYS  36          2HB       LYS  36  -4.547  -8.214  -7.482
  280   1HG   LYS  36          1HG       LYS  36  -6.938  -8.797  -7.467
  281   2HG   LYS  36          2HG       LYS  36  -7.360  -7.097  -7.676
  282   1HD   LYS  36          1HD       LYS  36  -6.526  -7.025  -9.868
  283   2HD   LYS  36          2HD       LYS  36  -5.514  -8.450  -9.630
  284   1HE   LYS  36          1HE       LYS  36  -7.432  -9.062 -11.004
  285   2HE   LYS  36          2HE       LYS  36  -7.585  -9.833  -9.425
  286   1HZ   LYS  36          1HZ       LYS  36  -8.798  -7.462  -9.035
  287   2HZ   LYS  36          2HZ       LYS  36  -9.220  -7.798 -10.646
  288   3HZ   LYS  36          3HZ       LYS  36  -9.602  -8.906  -9.416
  289    H    ARG  37           H        ARG  37  -4.041  -9.366  -5.311
  290    HA   ARG  37           HA       ARG  37  -2.102  -8.049  -3.539
  291   1HB   ARG  37          1HB       ARG  37  -3.098 -10.581  -3.616
  292   2HB   ARG  37          2HB       ARG  37  -1.587 -10.807  -4.494
  293   1HG   ARG  37          1HG       ARG  37  -1.333 -11.152  -2.036
  294   2HG   ARG  37          2HG       ARG  37  -0.321  -9.845  -2.648
  295   1HD   ARG  37          1HD       ARG  37  -1.648  -8.185  -1.690
  296   2HD   ARG  37          2HD       ARG  37  -3.075  -9.219  -1.631
  297    HE   ARG  37           HE       ARG  37  -1.474  -8.873   0.571
  298   1HH1  ARG  37          1HH1      ARG  37   0.363 -10.963   0.118
  299   2HH1  ARG  37          2HH1      ARG  37  -0.457 -12.414   0.589
  300   1HH2  ARG  37          1HH2      ARG  37  -3.614 -10.989   0.468
  301   2HH2  ARG  37          2HH2      ARG  37  -2.707 -12.428   0.787
  302    H    ASP  38           H        ASP  38  -2.236  -9.391  -6.804
  303    HA   ASP  38           HA       ASP  38   0.563  -9.223  -7.368
  304   1HB   ASP  38          1HB       ASP  38  -1.939  -9.400  -8.996
  305   2HB   ASP  38          2HB       ASP  38  -0.454  -8.911  -9.815
  306    H    LYS  39           H        LYS  39  -1.760  -6.796  -6.853
  307    HA   LYS  39           HA       LYS  39  -0.162  -4.801  -8.391
  308   1HB   LYS  39          1HB       LYS  39  -2.700  -4.982  -8.697
  309   2HB   LYS  39          2HB       LYS  39  -2.838  -4.328  -7.064
  310   1HG   LYS  39          1HG       LYS  39  -2.689  -2.277  -7.993
  311   2HG   LYS  39          2HG       LYS  39  -0.995  -2.646  -8.318
  312   1HD   LYS  39          1HD       LYS  39  -1.400  -2.663 -10.529
  313   2HD   LYS  39          2HD       LYS  39  -2.610  -3.928 -10.313
  314   1HE   LYS  39          1HE       LYS  39  -4.368  -2.386 -10.093
  315   2HE   LYS  39          2HE       LYS  39  -3.280  -1.061  -9.681
  316   1HZ   LYS  39          1HZ       LYS  39  -3.184  -2.390 -12.321
  317   2HZ   LYS  39          2HZ       LYS  39  -4.239  -1.094 -12.014
  318   3HZ   LYS  39          3HZ       LYS  39  -2.563  -0.872 -11.878
  319    H    VAL  40           H        VAL  40  -1.814  -5.116  -5.222
  320    HA   VAL  40           HA       VAL  40  -0.692  -2.890  -3.956
  321    HB   VAL  40           HB       VAL  40  -2.351  -4.820  -3.124
  322   1HG1  VAL  40          1HG1      VAL  40   0.321  -5.545  -1.885
  323   2HG1  VAL  40          2HG1      VAL  40  -1.239  -6.128  -1.307
  324   3HG1  VAL  40          3HG1      VAL  40  -0.673  -6.574  -2.917
  325   1HG2  VAL  40          1HG2      VAL  40  -0.802  -2.702  -1.819
  326   2HG2  VAL  40          2HG2      VAL  40  -2.520  -3.078  -1.692
  327   3HG2  VAL  40          3HG2      VAL  40  -1.352  -3.946  -0.697
  328    H    ARG  41           H        ARG  41   0.686  -6.183  -4.138
  329    HA   ARG  41           HA       ARG  41   3.090  -5.617  -2.728
  330   1HB   ARG  41          1HB       ARG  41   2.438  -7.911  -3.243
  331   2HB   ARG  41          2HB       ARG  41   2.569  -7.591  -4.973
  332   1HG   ARG  41          1HG       ARG  41   5.023  -6.792  -3.751
  333   2HG   ARG  41          2HG       ARG  41   4.631  -8.411  -3.170
  334   1HD   ARG  41          1HD       ARG  41   4.551  -7.633  -6.095
  335   2HD   ARG  41          2HD       ARG  41   5.961  -8.358  -5.324
  336    HE   ARG  41           HE       ARG  41   3.524  -9.902  -4.904
  337   1HH1  ARG  41          1HH1      ARG  41   6.620 -10.417  -5.613
  338   2HH1  ARG  41          2HH1      ARG  41   6.389 -11.420  -7.006
  339   1HH2  ARG  41          1HH2      ARG  41   3.015 -10.680  -7.308
  340   2HH2  ARG  41          2HH2      ARG  41   4.349 -11.568  -7.966
  341    H    GLU  42           H        GLU  42   2.350  -5.419  -6.216
  342    HA   GLU  42           HA       GLU  42   4.841  -4.750  -7.247
  343   1HB   GLU  42          1HB       GLU  42   2.281  -4.684  -8.223
  344   2HB   GLU  42          2HB       GLU  42   2.685  -2.967  -8.188
  345   1HG   GLU  42          1HG       GLU  42   4.925  -3.720  -9.297
  346   2HG   GLU  42          2HG       GLU  42   4.037  -5.190  -9.701
  347    H    ILE  43           H        ILE  43   2.499  -2.455  -5.808
  348    HA   ILE  43           HA       ILE  43   4.118  -0.140  -5.995
  349    HB   ILE  43           HB       ILE  43   2.063  -0.932  -3.911
  350   1HG1  ILE  43          1HG1      ILE  43   1.813   1.073  -6.159
  351   2HG1  ILE  43          2HG1      ILE  43   1.441  -0.635  -6.396
  352   1HG2  ILE  43          1HG2      ILE  43   3.954   1.195  -3.846
  353   2HG2  ILE  43          2HG2      ILE  43   2.382   1.904  -4.215
  354   3HG2  ILE  43          3HG2      ILE  43   2.589   0.928  -2.761
  355   1HD1  ILE  43          1HD1      ILE  43   0.203   1.052  -4.206
  356   2HD1  ILE  43          2HD1      ILE  43  -0.553   0.793  -5.778
  357   3HD1  ILE  43          3HD1      ILE  43  -0.271  -0.574  -4.699
  358    H    ALA  44           H        ALA  44   3.915  -2.581  -3.399
  359    HA   ALA  44           HA       ALA  44   5.763  -1.369  -1.615
  360   1HB   ALA  44          1HB       ALA  44   4.372  -3.831  -1.791
  361   2HB   ALA  44          2HB       ALA  44   6.078  -4.234  -1.600
  362   3HB   ALA  44          3HB       ALA  44   5.276  -3.208  -0.411
  363    H    GLU  45           H        GLU  45   6.257  -3.172  -4.575
  364    HA   GLU  45           HA       GLU  45   9.066  -3.718  -4.152
  365   1HB   GLU  45          1HB       GLU  45   7.107  -4.274  -6.147
  366   2HB   GLU  45          2HB       GLU  45   8.460  -3.470  -6.943
  367   1HG   GLU  45          1HG       GLU  45   9.950  -5.101  -5.573
  368   2HG   GLU  45          2HG       GLU  45   8.466  -6.030  -5.355
  369    H    LEU  46           H        LEU  46   7.256  -1.103  -5.741
  370    HA   LEU  46           HA       LEU  46   9.524   0.268  -6.816
  371   1HB   LEU  46          1HB       LEU  46   6.689   0.930  -6.227
  372   2HB   LEU  46          2HB       LEU  46   7.796   2.300  -6.337
  373    HG   LEU  46           HG       LEU  46   8.044   0.216  -8.446
  374   1HD1  LEU  46          1HD1      LEU  46   5.570   0.528  -8.142
  375   2HD1  LEU  46          2HD1      LEU  46   5.794   2.249  -8.457
  376   3HD1  LEU  46          3HD1      LEU  46   6.156   1.068  -9.715
  377   1HD2  LEU  46          1HD2      LEU  46   8.957   2.833  -7.955
  378   2HD2  LEU  46          2HD2      LEU  46   9.171   1.902  -9.437
  379   3HD2  LEU  46          3HD2      LEU  46   7.791   2.987  -9.269
  380    H    LYS  47           H        LYS  47   7.963   0.377  -3.636
  381    HA   LYS  47           HA       LYS  47   9.985   2.372  -2.741
  382   1HB   LYS  47          1HB       LYS  47   7.371   1.394  -1.584
  383   2HB   LYS  47          2HB       LYS  47   8.523   2.310  -0.613
  384   1HG   LYS  47          1HG       LYS  47   8.076   4.261  -1.695
  385   2HG   LYS  47          2HG       LYS  47   7.967   3.472  -3.269
  386   1HD   LYS  47          1HD       LYS  47   5.749   4.073  -2.955
  387   2HD   LYS  47          2HD       LYS  47   5.743   2.460  -2.240
  388   1HE   LYS  47          1HE       LYS  47   6.557   4.068  -0.136
  389   2HE   LYS  47          2HE       LYS  47   5.357   5.066  -0.957
  390   1HZ   LYS  47          1HZ       LYS  47   4.595   2.303  -0.694
  391   2HZ   LYS  47          2HZ       LYS  47   4.796   3.094   0.796
  392   3HZ   LYS  47          3HZ       LYS  47   3.709   3.711  -0.351
  393    H    MET  48           H        MET  48  10.204  -0.711  -3.199
  394    HA   MET  48           HA       MET  48  10.588  -2.021  -0.728
  395   1HB   MET  48          1HB       MET  48  11.045  -2.616  -3.426
  396   2HB   MET  48          2HB       MET  48  12.628  -2.764  -2.662
  397   1HG   MET  48          1HG       MET  48  11.349  -4.097  -0.820
  398   2HG   MET  48          2HG       MET  48  10.089  -4.260  -2.044
  399   1HE   MET  48          1HE       MET  48  13.351  -5.094  -0.662
  400   2HE   MET  48          2HE       MET  48  12.357  -6.554  -0.562
  401   3HE   MET  48          3HE       MET  48  13.849  -6.562  -1.499
  402    HA   PRO  49           HA       PRO  49  15.094  -0.435  -0.729
  403   1HB   PRO  49          1HB       PRO  49  15.791   1.410  -2.646
  404   2HB   PRO  49          2HB       PRO  49  15.955  -0.341  -2.864
  405   1HG   PRO  49          1HG       PRO  49  13.939   1.514  -4.037
  406   2HG   PRO  49          2HG       PRO  49  14.531  -0.036  -4.656
  407   1HD   PRO  49          1HD       PRO  49  12.065   0.393  -3.335
  408   2HD   PRO  49          2HD       PRO  49  12.808  -1.184  -3.674
  409    H    ASP  50           H        ASP  50  12.306   1.426  -0.955
  410    HA   ASP  50           HA       ASP  50  13.604   3.809   0.286
  411   1HB   ASP  50          1HB       ASP  50  10.794   3.515  -0.822
  412   2HB   ASP  50          2HB       ASP  50  11.542   5.009  -0.254
  413    H    LEU  51           H        LEU  51  11.823   1.019   1.029
  414    HA   LEU  51           HA       LEU  51  10.660   2.233   3.484
  415   1HB   LEU  51          1HB       LEU  51  10.317  -0.573   2.383
  416   2HB   LEU  51          2HB       LEU  51   9.394   0.161   3.695
  417    HG   LEU  51           HG       LEU  51   9.444   1.670   1.139
  418   1HD1  LEU  51          1HD1      LEU  51   9.194  -0.827   0.564
  419   2HD1  LEU  51          2HD1      LEU  51   7.650  -0.747   1.413
  420   3HD1  LEU  51          3HD1      LEU  51   7.925   0.253  -0.014
  421   1HD2  LEU  51          1HD2      LEU  51   7.474   0.998   3.327
  422   2HD2  LEU  51          2HD2      LEU  51   8.095   2.580   2.857
  423   3HD2  LEU  51          3HD2      LEU  51   6.941   1.742   1.819
  424    H    ASN  52           H        ASN  52  13.425   0.590   2.454
  425    HA   ASN  52           HA       ASN  52  15.257  -0.183   3.715
  426   1HB   ASN  52          1HB       ASN  52  13.964   1.496   5.469
  427   2HB   ASN  52          2HB       ASN  52  13.933  -0.036   6.343
  428   1HD2  ASN  52          1HD2      ASN  52  17.189   0.959   7.418
  429   2HD2  ASN  52          2HD2      ASN  52  15.558   0.847   7.876
  430    H    ALA  53           H        ALA  53  13.154  -1.904   2.700
  431    HA   ALA  53           HA       ALA  53  12.899  -3.983   4.809
  432   1HB   ALA  53          1HB       ALA  53  11.472  -3.341   2.278
  433   2HB   ALA  53          2HB       ALA  53  11.605  -5.050   2.695
  434   3HB   ALA  53          3HB       ALA  53  10.831  -3.926   3.813
  435    H    ALA  54           H        ALA  54  13.697  -6.121   4.450
  436    HA   ALA  54           HA       ALA  54  16.106  -6.213   2.777
  437   1HB   ALA  54          1HB       ALA  54  14.950  -7.786   4.980
  438   2HB   ALA  54          2HB       ALA  54  15.753  -8.764   3.751
  439   3HB   ALA  54          3HB       ALA  54  16.641  -7.486   4.580
  440    H    SER  55           H        SER  55  12.824  -7.469   2.695
  441    HA   SER  55           HA       SER  55  13.209  -8.233  -0.116
  442   1HB   SER  55          1HB       SER  55  12.107 -10.542   0.504
  443   2HB   SER  55          2HB       SER  55  13.849 -10.336   0.662
  444    HG   SER  55           HG       SER  55  12.275 -11.110   2.522
  445    H    ILE  56           H        ILE  56  10.946  -9.359  -0.806
  446    HA   ILE  56           HA       ILE  56   8.942  -7.363  -0.483
  447    HB   ILE  56           HB       ILE  56   8.372 -10.251  -1.168
  448   1HG1  ILE  56          1HG1      ILE  56  10.281  -9.687  -2.516
  449   2HG1  ILE  56          2HG1      ILE  56   8.866  -9.494  -3.551
  450   1HG2  ILE  56          1HG2      ILE  56   6.885  -7.797  -1.174
  451   2HG2  ILE  56          2HG2      ILE  56   7.075  -8.346  -2.839
  452   3HG2  ILE  56          3HG2      ILE  56   6.340  -9.409  -1.638
  453   1HD1  ILE  56          1HD1      ILE  56   8.852  -7.052  -2.979
  454   2HD1  ILE  56          2HD1      ILE  56  10.365  -7.292  -2.106
  455   3HD1  ILE  56          3HD1      ILE  56  10.301  -7.558  -3.848
  456    H    GLU  57           H        GLU  57   9.257 -10.580   1.048
  457    HA   GLU  57           HA       GLU  57   6.946 -10.679   2.569
  458   1HB   GLU  57          1HB       GLU  57   9.778 -11.411   3.359
  459   2HB   GLU  57          2HB       GLU  57   8.374 -11.800   4.354
  460   1HG   GLU  57          1HG       GLU  57   7.415 -12.830   2.148
  461   2HG   GLU  57          2HG       GLU  57   9.100 -12.842   1.627
  462    H    ALA  58           H        ALA  58   9.674  -8.522   2.968
  463    HA   ALA  58           HA       ALA  58   8.655  -7.527   5.557
  464   1HB   ALA  58          1HB       ALA  58  11.190  -7.598   4.302
  465   2HB   ALA  58          2HB       ALA  58  10.744  -5.896   4.414
  466   3HB   ALA  58          3HB       ALA  58  10.793  -6.892   5.869
  467    H    ALA  59           H        ALA  59   8.884  -6.522   2.170
  468    HA   ALA  59           HA       ALA  59   7.818  -3.856   2.702
  469   1HB   ALA  59          1HB       ALA  59   8.183  -5.423   0.132
  470   2HB   ALA  59          2HB       ALA  59   7.635  -3.748   0.199
  471   3HB   ALA  59          3HB       ALA  59   9.251  -4.171   0.766
  472    H    MET  60           H        MET  60   6.478  -6.492   0.676
  473    HA   MET  60           HA       MET  60   3.862  -5.608   0.483
  474   1HB   MET  60          1HB       MET  60   5.140  -7.948  -0.146
  475   2HB   MET  60          2HB       MET  60   4.050  -8.483   1.134
  476   1HG   MET  60          1HG       MET  60   2.656  -6.683  -0.637
  477   2HG   MET  60          2HG       MET  60   3.396  -7.983  -1.572
  478   1HE   MET  60          1HE       MET  60   3.273 -10.056  -1.426
  479   2HE   MET  60          2HE       MET  60   2.715 -11.024  -0.065
  480   3HE   MET  60          3HE       MET  60   1.649 -10.756  -1.442
  481    H    ARG  61           H        ARG  61   5.464  -6.889   3.318
  482    HA   ARG  61           HA       ARG  61   3.169  -7.531   4.879
  483   1HB   ARG  61          1HB       ARG  61   5.902  -7.573   5.286
  484   2HB   ARG  61          2HB       ARG  61   5.368  -6.301   6.385
  485   1HG   ARG  61          1HG       ARG  61   3.526  -7.977   7.104
  486   2HG   ARG  61          2HG       ARG  61   4.532  -9.197   6.322
  487   1HD   ARG  61          1HD       ARG  61   5.741  -9.304   8.220
  488   2HD   ARG  61          2HD       ARG  61   6.308  -7.670   7.875
  489    HE   ARG  61           HE       ARG  61   4.158  -6.952   9.153
  490   1HH1  ARG  61          1HH1      ARG  61   6.728  -8.598  10.348
  491   2HH1  ARG  61          2HH1      ARG  61   5.919  -9.302  11.708
  492   1HH2  ARG  61          1HH2      ARG  61   2.750  -8.402  10.626
  493   2HH2  ARG  61          2HH2      ARG  61   3.667  -9.191  11.865
  494    H    MET  62           H        MET  62   5.061  -4.509   4.757
  495    HA   MET  62           HA       MET  62   3.283  -3.036   6.462
  496   1HB   MET  62          1HB       MET  62   5.090  -1.945   4.282
  497   2HB   MET  62          2HB       MET  62   4.458  -1.056   5.668
  498   1HG   MET  62          1HG       MET  62   5.684  -2.555   7.195
  499   2HG   MET  62          2HG       MET  62   6.318  -3.448   5.812
  500   1HE   MET  62          1HE       MET  62   8.404  -3.422   5.879
  501   2HE   MET  62          2HE       MET  62   8.606  -2.502   4.382
  502   3HE   MET  62          3HE       MET  62   9.572  -2.106   5.800
  503    H    ILE  63           H        ILE  63   3.142  -3.944   3.122
  504    HA   ILE  63           HA       ILE  63   1.226  -1.874   2.352
  505    HB   ILE  63           HB       ILE  63   1.962  -4.480   0.984
  506   1HG1  ILE  63          1HG1      ILE  63   3.934  -3.127   1.143
  507   2HG1  ILE  63          2HG1      ILE  63   3.295  -2.868  -0.481
  508   1HG2  ILE  63          1HG2      ILE  63  -0.218  -2.918   0.484
  509   2HG2  ILE  63          2HG2      ILE  63   0.984  -2.150  -0.553
  510   3HG2  ILE  63          3HG2      ILE  63   0.616  -3.863  -0.750
  511   1HD1  ILE  63          1HD1      ILE  63   2.044  -0.854   0.507
  512   2HD1  ILE  63          2HD1      ILE  63   3.090  -1.038   1.915
  513   3HD1  ILE  63          3HD1      ILE  63   3.792  -0.690   0.334
  514    H    GLU  64           H        GLU  64   1.086  -5.116   3.676
  515    HA   GLU  64           HA       GLU  64  -1.774  -5.415   3.099
  516   1HB   GLU  64          1HB       GLU  64   0.213  -7.216   3.608
  517   2HB   GLU  64          2HB       GLU  64  -0.549  -7.109   5.196
  518   1HG   GLU  64          1HG       GLU  64  -2.774  -7.294   3.734
  519   2HG   GLU  64          2HG       GLU  64  -1.677  -8.104   2.615
  520    H    GLY  65           H        GLY  65   0.247  -4.701   5.945
  521   1HA   GLY  65          1HA       GLY  65  -2.064  -4.413   7.700
  522   2HA   GLY  65          2HA       GLY  65  -0.400  -3.983   8.102
  523    H    THR  66           H        THR  66  -0.157  -2.314   5.641
  524    HA   THR  66           HA       THR  66  -1.347   0.126   6.782
  525    HB   THR  66           HB       THR  66   0.368  -0.213   4.302
  526    HG1  THR  66           HG1      THR  66   1.830   0.831   6.061
  527   1HG2  THR  66          1HG2      THR  66  -0.885   2.075   5.688
  528   2HG2  THR  66          2HG2      THR  66   0.820   2.291   5.289
  529   3HG2  THR  66          3HG2      THR  66  -0.345   1.928   4.015
  530    H    ALA  67           H        ALA  67  -1.796  -2.018   4.034
  531    HA   ALA  67           HA       ALA  67  -3.756  -0.182   2.800
  532   1HB   ALA  67          1HB       ALA  67  -2.108  -1.665   1.493
  533   2HB   ALA  67          2HB       ALA  67  -3.147  -3.017   1.942
  534   3HB   ALA  67          3HB       ALA  67  -3.790  -1.697   0.964
  535    H    ARG  68           H        ARG  68  -3.996  -1.802   5.475
  536    HA   ARG  68           HA       ARG  68  -6.734  -2.843   4.870
  537   1HB   ARG  68          1HB       ARG  68  -5.012  -4.649   5.353
  538   2HB   ARG  68          2HB       ARG  68  -4.878  -3.975   6.978
  539   1HG   ARG  68          1HG       ARG  68  -7.105  -4.526   7.523
  540   2HG   ARG  68          2HG       ARG  68  -7.566  -4.717   5.831
  541   1HD   ARG  68          1HD       ARG  68  -7.136  -6.918   5.998
  542   2HD   ARG  68          2HD       ARG  68  -5.441  -6.534   6.296
  543    HE   ARG  68           HE       ARG  68  -6.501  -6.199   8.778
  544   1HH1  ARG  68          1HH1      ARG  68  -8.718  -7.751   8.914
  545   2HH1  ARG  68          2HH1      ARG  68  -8.209  -9.406   8.942
  546   1HH2  ARG  68          1HH2      ARG  68  -5.035  -8.726   7.721
  547   2HH2  ARG  68          2HH2      ARG  68  -6.123  -9.958   8.267
  548    H    SER  69           H        SER  69  -4.565  -1.419   7.300
  549    HA   SER  69           HA       SER  69  -6.546  -0.987   9.313
  550   1HB   SER  69          1HB       SER  69  -3.874   0.213   8.678
  551   2HB   SER  69          2HB       SER  69  -4.899   1.012   9.867
  552    HG   SER  69           HG       SER  69  -3.902  -0.440  11.087
  553    H    MET  70           H        MET  70  -6.143   0.448   6.243
  554    HA   MET  70           HA       MET  70  -7.516   2.953   7.021
  555   1HB   MET  70          1HB       MET  70  -6.216   1.937   4.502
  556   2HB   MET  70          2HB       MET  70  -7.329   3.304   4.435
  557   1HG   MET  70          1HG       MET  70  -5.902   4.260   6.396
  558   2HG   MET  70          2HG       MET  70  -4.689   3.094   5.867
  559   1HE   MET  70          1HE       MET  70  -5.241   2.841   2.850
  560   2HE   MET  70          2HE       MET  70  -4.092   4.003   2.173
  561   3HE   MET  70          3HE       MET  70  -3.628   2.994   3.541
  562    H    GLY  71           H        GLY  71  -8.209  -0.154   5.619
  563   1HA   GLY  71          1HA       GLY  71 -10.695  -0.707   5.852
  564   2HA   GLY  71          2HA       GLY  71 -10.971   0.792   4.962
  565    H    ILE  72           H        ILE  72  -8.296  -0.130   3.519
  566    HA   ILE  72           HA       ILE  72  -9.717  -1.345   1.266
  567    HB   ILE  72           HB       ILE  72  -6.736  -0.908   1.589
  568   1HG1  ILE  72          1HG1      ILE  72  -8.059   1.065  -0.042
  569   2HG1  ILE  72          2HG1      ILE  72  -8.810   1.031   1.554
  570   1HG2  ILE  72          1HG2      ILE  72  -7.877  -2.356  -0.301
  571   2HG2  ILE  72          2HG2      ILE  72  -8.281  -0.779  -0.979
  572   3HG2  ILE  72          3HG2      ILE  72  -6.594  -1.218  -0.712
  573   1HD1  ILE  72          1HD1      ILE  72  -6.304   0.964   2.390
  574   2HD1  ILE  72          2HD1      ILE  72  -5.976   1.667   0.807
  575   3HD1  ILE  72          3HD1      ILE  72  -7.046   2.499   1.936
  576    H    VAL  73           H        VAL  73  -9.326  -3.462   0.447
  577    HA   VAL  73           HA       VAL  73  -8.092  -5.311   2.444
  578    HB   VAL  73           HB       VAL  73 -10.605  -5.489   1.746
  579   1HG1  VAL  73          1HG1      VAL  73  -9.484  -5.626  -0.779
  580   2HG1  VAL  73          2HG1      VAL  73  -9.822  -7.316  -0.403
  581   3HG1  VAL  73          3HG1      VAL  73 -11.121  -6.125  -0.355
  582   1HG2  VAL  73          1HG2      VAL  73  -8.805  -7.254   2.778
  583   2HG2  VAL  73          2HG2      VAL  73 -10.511  -7.630   2.529
  584   3HG2  VAL  73          3HG2      VAL  73  -9.316  -8.120   1.328
  585    H    VAL  74           H        VAL  74  -7.480  -7.494   1.043
  586    HA   VAL  74           HA       VAL  74  -6.074  -6.647  -1.426
  587    HB   VAL  74           HB       VAL  74  -4.700  -6.640   0.915
  588   1HG1  VAL  74          1HG1      VAL  74  -4.312  -9.414  -0.249
  589   2HG1  VAL  74          2HG1      VAL  74  -3.337  -8.694   1.032
  590   3HG1  VAL  74          3HG1      VAL  74  -5.041  -9.047   1.314
  591   1HG2  VAL  74          1HG2      VAL  74  -3.807  -7.359  -1.879
  592   2HG2  VAL  74          2HG2      VAL  74  -3.734  -5.788  -1.079
  593   3HG2  VAL  74          3HG2      VAL  74  -2.657  -7.088  -0.569
  594    H    GLU  75           H        GLU  75  -6.359  -8.173  -2.984
  595    HA   GLU  75           HA       GLU  75  -7.485 -10.793  -2.174
  596   1HB   GLU  75          1HB       GLU  75  -7.376  -9.222  -4.729
  597   2HB   GLU  75          2HB       GLU  75  -7.620 -10.967  -4.804
  598   1HG   GLU  75          1HG       GLU  75  -9.306  -9.861  -2.750
  599   2HG   GLU  75          2HG       GLU  75  -9.562  -8.976  -4.255
  600    H    ASP  76           H        ASP  76  -5.673 -11.961  -1.464
  601    HA   ASP  76           HA       ASP  76  -3.089 -12.037  -2.439
  602   1HB   ASP  76          1HB       ASP  76  -4.181 -13.460  -0.573
  603   2HB   ASP  76          2HB       ASP  76  -4.559 -14.608  -1.857
   
  No H/Q in entry =         603