*HEADER    MEMBRANE PROTEIN                        16-MAY-19   6RQS              
*TITLE     RW16 PEPTIDE                                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ARG-ARG-TRP-ARG-ARG-TRP-TRP-ARG-ARG-TRP-TRP-ARG-ARG-TRP-   
*COMPND   3 ARG-ARG;                                                             
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    ARGININE, TRYPTOPHAN, MEMBRANE, CELL-PENETRATING, MEMBRANE PROTEIN    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    M.-L.JOBIN,A.GRELARD,I.ALVES,C.D.MACKERETH                            
*REVDAT   1   23-OCT-19 6RQS    0                                                
# Restraints file 1: unambig_ambig.tbl
!!unambig.tbl

 ASSI {    3}
   (( segid "RW16" and resid 15   and name HG2 ))
   (( segid "RW16" and resid 11   and name HD1 ))
      3.300     3.300     2.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.97737E-03 ppm1      1.064 ppm2      6.844 CV     1
 OR {    3}
   (( segid "RW16" and resid 15   and name HG1 ))
   (( segid "RW16" and resid 11   and name HD1 ))
 ASSI {    4}
   (( segid "RW16" and resid 15   and name HG2 ))
   (( segid "RW16" and resid 11   and name HE3 ))
      3.500     1.500     1.500 peak     4 spectrum    1 weight  0.10000E+01 volume  0.78325E-03 ppm1      1.071 ppm2      7.342 CV     1
 OR {    4}
   (( segid "RW16" and resid 15   and name HG1 ))
   (( segid "RW16" and resid 11   and name HE3 ))
 ASSI {    6}
   (( segid "RW16" and resid 15   and name HG2 ))
   (( segid "RW16" and resid 15   and name HD1 ))
      2.200     0.600     0.600 peak     6 spectrum    1 weight  0.10000E+01 volume  0.77095E-02 ppm1      1.073 ppm2      2.659 CV     1
 OR {    6}
   (( segid "RW16" and resid 15   and name HG1 ))
   (( segid "RW16" and resid 15   and name HD2 ))
 OR {    6}
   (( segid "RW16" and resid 15   and name HG2 ))
   (( segid "RW16" and resid 15   and name HD2 ))
 OR {    6}
   (( segid "RW16" and resid 15   and name HG1 ))
   (( segid "RW16" and resid 15   and name HD1 ))
 ASSI {    7}
   (( segid "RW16" and resid 15   and name HG1 ))
   (( segid "RW16" and resid 15   and name HE  ))
      2.600     0.900     0.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.28237E-02 ppm1      1.074 ppm2      7.115 CV     1
 OR {    7}
   (( segid "RW16" and resid 15   and name HG2 ))
   (( segid "RW16" and resid 15   and name HE  ))
 ASSI {    9}
   (( segid "RW16" and resid 15   and name HG1 ))
   (( segid "RW16" and resid 15   and name HN  ))
      2.600     0.900     0.900 peak     9 spectrum    1 weight  0.10000E+01 volume  0.40596E-02 ppm1      1.076 ppm2      7.723 CV     1
 OR {    9}
   (( segid "RW16" and resid 15   and name HG2 ))
   (( segid "RW16" and resid 15   and name HN  ))
 ASSI {   12}
   (( segid "RW16" and resid 2    and name HG2 ))
   (( segid "RW16" and resid 2    and name HE  ))
      3.400     1.500     1.500 peak    12 spectrum    1 weight  0.10000E+01 volume  0.61363E-03 ppm1      1.235 ppm2      7.238 CV     1
 OR {   12}
   (( segid "RW16" and resid 2    and name HG1 ))
   (( segid "RW16" and resid 2    and name HE  ))
 ASSI {   13}
   (( segid "RW16" and resid 2    and name HG1 ))
   (( segid "RW16" and resid 2    and name HA  ))
      2.600     0.900     0.900 peak    13 spectrum    1 weight  0.10000E+01 volume  0.40567E-02 ppm1      1.250 ppm2      3.999 CV     1
 OR {   13}
   (( segid "RW16" and resid 2    and name HG2 ))
   (( segid "RW16" and resid 2    and name HA  ))
 ASSI {   14}
   (( segid "RW16" and resid 2    and name HG1 ))
   (( segid "RW16" and resid 2    and name HN  ))
      2.500     0.800     0.800 peak    14 spectrum    1 weight  0.10000E+01 volume  0.37145E-02 ppm1      1.255 ppm2      8.489 CV     1
 OR {   14}
   (( segid "RW16" and resid 2    and name HG2 ))
   (( segid "RW16" and resid 2    and name HN  ))
 ASSI {   17}
   (( segid "RW16" and resid 4    and name HG2 ))
   (( segid "RW16" and resid 4    and name HA  ))
      2.400     0.700     0.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.48079E-02 ppm1      1.263 ppm2      3.763 CV     1
 OR {   17}
   (( segid "RW16" and resid 4    and name HG1 ))
   (( segid "RW16" and resid 4    and name HA  ))
 ASSI {   19}
   (( segid "RW16" and resid 2    and name HG1 ))
   (( segid "RW16" and resid 3    and name HN  ))
      3.000     1.100     1.100 peak    19 spectrum    1 weight  0.10000E+01 volume  0.15714E-02 ppm1      1.267 ppm2      7.627 CV     1
 OR {   19}
   (( segid "RW16" and resid 2    and name HG2 ))
   (( segid "RW16" and resid 3    and name HN  ))
 ASSI {   21}
   (( segid "RW16" and resid 4    and name HG2 ))
   (( segid "RW16" and resid 3    and name HH2 ))
      3.300     1.400     1.400 peak    21 spectrum    1 weight  0.10000E+01 volume  0.93176E-03 ppm1      1.269 ppm2      6.850 CV     1
 OR {   21}
   (( segid "RW16" and resid 4    and name HG1 ))
   (( segid "RW16" and resid 3    and name HH2 ))
 ASSI {   27}
   (( segid "RW16" and resid 4    and name HG1 ))
   (( segid "RW16" and resid 4    and name HE  ))
      3.100     1.200     1.200 peak    27 spectrum    1 weight  0.10000E+01 volume  0.12033E-02 ppm1      1.276 ppm2      7.437 CV     1
 OR {   27}
   (( segid "RW16" and resid 4    and name HG2 ))
   (( segid "RW16" and resid 4    and name HE  ))
 ASSI {   29}
   (( segid "RW16" and resid 4    and name HG2 ))
   (( segid "RW16" and resid 4    and name HN  ))
      2.800     1.000     1.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.21835E-02 ppm1      1.286 ppm2      7.759 CV     1
 OR {   29}
   (( segid "RW16" and resid 4    and name HG1 ))
   (( segid "RW16" and resid 4    and name HN  ))
 ASSI {   30}
   (( segid "RW16" and resid 4    and name HG2 ))
   (( segid "RW16" and resid 4    and name HD1 ))
      2.400     0.700     0.700 peak    30 spectrum    1 weight  0.10000E+01 volume  0.42314E-02 ppm1      1.286 ppm2      3.024 CV     1
 OR {   30}
   (( segid "RW16" and resid 4    and name HG1 ))
   (( segid "RW16" and resid 4    and name HD2 ))
 OR {   30}
   (( segid "RW16" and resid 4    and name HG2 ))
   (( segid "RW16" and resid 4    and name HD2 ))
 OR {   30}
   (( segid "RW16" and resid 4    and name HG1 ))
   (( segid "RW16" and resid 4    and name HD1 ))
 ASSI {   32}
   (( segid "RW16" and resid 0    and name HG1 ))
   (( segid "RW16" and resid 1    and name HN  ))
      3.400     1.400     1.400 peak    32 spectrum    1 weight  0.10000E+01 volume  0.79896E-03 ppm1      1.288 ppm2      8.399 CV     1
 OR {   32}
   (( segid "RW16" and resid 0    and name HG2 ))
   (( segid "RW16" and resid 1    and name HN  ))
 ASSI {   33}
   (( segid "RW16" and resid 15   and name HB1 ))
   (( segid "RW16" and resid 15   and name HN  ))
      2.600     0.900     0.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.57848E-02 ppm1      1.289 ppm2      7.724 CV     1
 ASSI {   34}
   (( segid "RW16" and resid 15   and name HB1 ))
   (( segid "RW16" and resid 15   and name HA  ))
      2.500     0.800     0.800 peak    34 spectrum    1 weight  0.10000E+01 volume  0.35030E-02 ppm1      1.293 ppm2      3.629 CV     1
 ASSI {   35}
   (( segid "RW16" and resid 15   and name HB1 ))
   (( segid "RW16" and resid 15   and name HE  ))
      3.800     1.800     1.800 peak    35 spectrum    1 weight  0.10000E+01 volume  0.61597E-03 ppm1      1.296 ppm2      7.112 CV     1
 ASSI {   36}
   (( segid "RW16" and resid 9    and name HG1 ))
   (( segid "RW16" and resid 9    and name HA  ))
      2.800     1.000     1.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.19030E-02 ppm1      1.299 ppm2      3.827 CV     1
 OR {   36}
   (( segid "RW16" and resid 9    and name HG2 ))
   (( segid "RW16" and resid 9    and name HA  ))
 ASSI {   41}
   (( segid "RW16" and resid 8    and name HG2 ))
   (( segid "RW16" and resid 8    and name HA  ))
      2.600     0.800     0.800 peak    41 spectrum    1 weight  0.10000E+01 volume  0.37340E-02 ppm1      1.390 ppm2      3.757 CV     1
 OR {   41}
   (( segid "RW16" and resid 8    and name HG1 ))
   (( segid "RW16" and resid 8    and name HA  ))
 ASSI {   45}
   (( segid "RW16" and resid 13   and name HG1 ))
   (( segid "RW16" and resid 13   and name HE  ))
      3.200     1.300     1.300 peak    45 spectrum    1 weight  0.10000E+01 volume  0.91104E-03 ppm1      1.405 ppm2      7.241 CV     1
 OR {   45}
   (( segid "RW16" and resid 13   and name HG2 ))
   (( segid "RW16" and resid 13   and name HE  ))
 ASSI {   46}
   (( segid "RW16" and resid 0    and name HB1 ))
   (( segid "RW16" and resid 1    and name HN  ))
      3.100     1.200     1.200 peak    46 spectrum    1 weight  0.10000E+01 volume  0.11486E-02 ppm1      1.406 ppm2      8.398 CV     1
 OR {   46}
   (( segid "RW16" and resid 0    and name HB2 ))
   (( segid "RW16" and resid 1    and name HN  ))
 ASSI {   47}
   (( segid "RW16" and resid 13   and name HG2 ))
   (( segid "RW16" and resid 13   and name HN  ))
      2.700     0.900     0.900 peak    47 spectrum    1 weight  0.10000E+01 volume  0.29209E-02 ppm1      1.419 ppm2      7.357 CV     1
 OR {   47}
   (( segid "RW16" and resid 13   and name HG1 ))
   (( segid "RW16" and resid 13   and name HN  ))
 ASSI {   49}
   (( segid "RW16" and resid 15   and name HB2 ))
   (( segid "RW16" and resid 15   and name HA  ))
      2.400     0.700     0.700 peak    49 spectrum    1 weight  0.10000E+01 volume  0.53478E-02 ppm1      1.422 ppm2      3.626 CV     1
 ASSI {   50}
   (( segid "RW16" and resid 15   and name HB2 ))
   (( segid "RW16" and resid 15   and name HD1 ))
      2.700     0.900     0.900 peak    50 spectrum    1 weight  0.10000E+01 volume  0.18767E-02 ppm1      1.423 ppm2      2.658 CV     1
 OR {   50}
   (( segid "RW16" and resid 15   and name HB2 ))
   (( segid "RW16" and resid 15   and name HD2 ))
 ASSI {   52}
   (( segid "RW16" and resid 15   and name HB2 ))
   (( segid "RW16" and resid 15   and name HN  ))
      2.500     0.800     0.800 peak    52 spectrum    1 weight  0.10000E+01 volume  0.34387E-02 ppm1      1.424 ppm2      7.722 CV     1
 ASSI {   53}
   (( segid "RW16" and resid 13   and name HG1 ))
   (( segid "RW16" and resid 13   and name HA  ))
      2.300     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.65862E-02 ppm1      1.425 ppm2      3.900 CV     1
 OR {   53}
   (( segid "RW16" and resid 13   and name HG2 ))
   (( segid "RW16" and resid 13   and name HA  ))
 ASSI {   54}
   (( segid "RW16" and resid 15   and name HB2 ))
   (( segid "RW16" and resid 15   and name HE  ))
      3.400     1.400     1.400 peak    54 spectrum    1 weight  0.10000E+01 volume  0.11788E-02 ppm1      1.439 ppm2      7.110 CV     1
 ASSI {   55}
   (( segid "RW16" and resid 12   and name HG2 ))
   (( segid "RW16" and resid 12   and name HA  ))
      2.700     0.900     0.900 peak    55 spectrum    1 weight  0.10000E+01 volume  0.26461E-02 ppm1      1.446 ppm2      3.651 CV     1
 OR {   55}
   (( segid "RW16" and resid 12   and name HG1 ))
   (( segid "RW16" and resid 12   and name HA  ))
 ASSI {   58}
   (( segid "RW16" and resid 5    and name HG1 ))
   (( segid "RW16" and resid 5    and name HN  ))
      3.000     1.100     1.100 peak    58 spectrum    1 weight  0.10000E+01 volume  0.22089E-02 ppm1      1.463 ppm2      7.825 CV     1
 OR {   58}
   (( segid "RW16" and resid 5    and name HG2 ))
   (( segid "RW16" and resid 5    and name HN  ))
 ASSI {   61}
   (( segid "RW16" and resid 16   and name HG1 ))
   (( segid "RW16" and resid 16   and name HA  ))
      2.700     0.900     0.900 peak    61 spectrum    1 weight  0.10000E+01 volume  0.26552E-02 ppm1      1.480 ppm2      3.971 CV     1
 OR {   61}
   (( segid "RW16" and resid 16   and name HG2 ))
   (( segid "RW16" and resid 16   and name HA  ))
 ASSI {   63}
   (( segid "RW16" and resid 9    and name HB1 ))
   (( segid "RW16" and resid 9    and name HA  ))
      2.800     1.000     1.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.20006E-02 ppm1      1.490 ppm2      3.826 CV     1
 ASSI {   66}
   (( segid "RW16" and resid 1    and name HG2 ))
   (( segid "RW16" and resid 1    and name HN  ))
      2.600     0.900     0.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.28889E-02 ppm1      1.500 ppm2      8.399 CV     1
 OR {   66}
   (( segid "RW16" and resid 1    and name HG1 ))
   (( segid "RW16" and resid 1    and name HN  ))
 ASSI {   67}
   (( segid "RW16" and resid 16   and name HG2 ))
   (( segid "RW16" and resid 16   and name HN  ))
      3.000     1.200     1.200 peak    67 spectrum    1 weight  0.10000E+01 volume  0.15323E-02 ppm1      1.504 ppm2      7.529 CV     1
 OR {   67}
   (( segid "RW16" and resid 16   and name HG1 ))
   (( segid "RW16" and resid 16   and name HN  ))
 ASSI {   68}
   (( segid "RW16" and resid 16   and name HG1 ))
   (( segid "RW16" and resid 16   and name HE  ))
      3.200     1.300     1.300 peak    68 spectrum    1 weight  0.10000E+01 volume  0.91373E-03 ppm1      1.514 ppm2      7.160 CV     1
 OR {   68}
   (( segid "RW16" and resid 16   and name HG2 ))
   (( segid "RW16" and resid 16   and name HE  ))
 ASSI {   69}
   (( segid "RW16" and resid 2    and name HB2 ))
   (( segid "RW16" and resid 2    and name HN  ))
      2.400     0.700     0.700 peak    69 spectrum    1 weight  0.10000E+01 volume  0.49594E-02 ppm1      1.534 ppm2      8.488 CV     1
 ASSI {   71}
   (( segid "RW16" and resid 4    and name HB1 ))
   (( segid "RW16" and resid 4    and name HE  ))
      3.100     1.200     1.200 peak    71 spectrum    1 weight  0.10000E+01 volume  0.84049E-03 ppm1      1.544 ppm2      7.428 CV     1
 ASSI {   74}
   (( segid "RW16" and resid 4    and name HB1 ))
   (( segid "RW16" and resid 4    and name HA  ))
      2.100     2.100     3.900 peak    74 spectrum    1 weight  0.10000E+01 volume  0.80092E-02 ppm1      1.561 ppm2      3.760 CV     1
 ASSI {   75}
   (( segid "RW16" and resid 12   and name HB1 ))
   (( segid "RW16" and resid 12   and name HA  ))
      3.100     1.200     1.200 peak    75 spectrum    1 weight  0.10000E+01 volume  0.12706E-02 ppm1      1.563 ppm2      3.645 CV     1
 ASSI {   76}
   (( segid "RW16" and resid 4    and name HB1 ))
   (( segid "RW16" and resid 4    and name HN  ))
      2.800     1.000     1.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.39934E-02 ppm1      1.563 ppm2      7.760 CV     1
 ASSI {   77}
   (( segid "RW16" and resid 2    and name HB2 ))
   (( segid "RW16" and resid 3    and name HN  ))
      2.700     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.23260E-02 ppm1      1.565 ppm2      7.626 CV     1
 OR {   77}
   (( segid "RW16" and resid 2    and name HB1 ))
   (( segid "RW16" and resid 3    and name HN  ))
 ASSI {   80}
   (( segid "RW16" and resid 12   and name HB1 ))
   (( segid "RW16" and resid 12   and name HN  ))
      3.300     1.300     1.300 peak    80 spectrum    1 weight  0.10000E+01 volume  0.86012E-03 ppm1      1.568 ppm2      7.501 CV     1
 ASSI {   85}
   (( segid "RW16" and resid 1    and name HB1 ))
   (( segid "RW16" and resid 1    and name HA  ))
      2.000     0.500     0.500 peak    85 spectrum    1 weight  0.10000E+01 volume  0.13797E-01 ppm1      1.585 ppm2      3.928 CV     1
 OR {   85}
   (( segid "RW16" and resid 1    and name HB2 ))
   (( segid "RW16" and resid 1    and name HA  ))
 ASSI {   86}
   (( segid "RW16" and resid 2    and name HB1 ))
   (( segid "RW16" and resid 2    and name HA  ))
      2.200     0.600     0.600 peak    86 spectrum    1 weight  0.10000E+01 volume  0.67977E-02 ppm1      1.587 ppm2      3.997 CV     1
 ASSI {   88}
   (( segid "RW16" and resid 2    and name HB1 ))
   (( segid "RW16" and resid 2    and name HN  ))
      2.300     2.300     3.700 peak    88 spectrum    1 weight  0.10000E+01 volume  0.66165E-02 ppm1      1.602 ppm2      8.488 CV     1
 ASSI {   89}
   (( segid "RW16" and resid 1    and name HB2 ))
   (( segid "RW16" and resid 1    and name HN  ))
      2.100     0.600     0.600 peak    89 spectrum    1 weight  0.10000E+01 volume  0.10322E-01 ppm1      1.602 ppm2      8.401 CV     1
 OR {   89}
   (( segid "RW16" and resid 1    and name HB1 ))
   (( segid "RW16" and resid 1    and name HN  ))
 ASSI {   91}
   (( segid "RW16" and resid 16   and name HB2 ))
   (( segid "RW16" and resid 16   and name HN  ))
      2.500     0.800     0.800 peak    91 spectrum    1 weight  0.10000E+01 volume  0.42157E-02 ppm1      1.654 ppm2      7.529 CV     1
 OR {   91}
   (( segid "RW16" and resid 16   and name HB1 ))
   (( segid "RW16" and resid 16   and name HN  ))
 ASSI {   92}
   (( segid "RW16" and resid 16   and name HB2 ))
   (( segid "RW16" and resid 16   and name HA  ))
      2.400     0.700     0.700 peak    92 spectrum    1 weight  0.10000E+01 volume  0.52253E-02 ppm1      1.663 ppm2      3.973 CV     1
 OR {   92}
   (( segid "RW16" and resid 16   and name HB1 ))
   (( segid "RW16" and resid 16   and name HA  ))
 ASSI {   95}
   (( segid "RW16" and resid 5    and name HB2 ))
   (( segid "RW16" and resid 6    and name HN  ))
      2.500     0.800     0.800 peak    95 spectrum    1 weight  0.10000E+01 volume  0.40561E-02 ppm1      1.679 ppm2      7.700 CV     1
 OR {   95}
   (( segid "RW16" and resid 5    and name HB1 ))
   (( segid "RW16" and resid 6    and name HN  ))
 ASSI {   96}
   (( segid "RW16" and resid 5    and name HB1 ))
   (( segid "RW16" and resid 5    and name HN  ))
      2.100     0.500     0.500 peak    96 spectrum    1 weight  0.10000E+01 volume  0.12193E-01 ppm1      1.681 ppm2      7.822 CV     1
 OR {   96}
   (( segid "RW16" and resid 5    and name HB2 ))
   (( segid "RW16" and resid 5    and name HN  ))
 ASSI {   98}
   (( segid "RW16" and resid 13   and name HB2 ))
   (( segid "RW16" and resid 13   and name HE  ))
      3.400     1.400     1.400 peak    98 spectrum    1 weight  0.10000E+01 volume  0.72457E-03 ppm1      1.682 ppm2      7.239 CV     1
 OR {   98}
   (( segid "RW16" and resid 13   and name HB1 ))
   (( segid "RW16" and resid 13   and name HE  ))
 ASSI {   99}
   (( segid "RW16" and resid 13   and name HB1 ))
   (( segid "RW16" and resid 10   and name HA  ))
      3.000     1.100     1.100 peak    99 spectrum    1 weight  0.10000E+01 volume  0.12343E-02 ppm1      1.683 ppm2      4.121 CV     1
 OR {   99}
   (( segid "RW16" and resid 13   and name HB2 ))
   (( segid "RW16" and resid 10   and name HA  ))
 ASSI {  101}
   (( segid "RW16" and resid 13   and name HB1 ))
   (( segid "RW16" and resid 13   and name HN  ))
      2.100     0.500     0.500 peak   101 spectrum    1 weight  0.10000E+01 volume  0.12162E-01 ppm1      1.687 ppm2      7.357 CV     1
 OR {  101}
   (( segid "RW16" and resid 13   and name HB2 ))
   (( segid "RW16" and resid 13   and name HN  ))
 ASSI {  102}
   (( segid "RW16" and resid 9    and name HB2 ))
   (( segid "RW16" and resid 9    and name HN  ))
      2.000     0.500     0.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.11492E-01 ppm1      1.691 ppm2      7.547 CV     1
 ASSI {  103}
   (( segid "RW16" and resid 13   and name HB2 ))
   (( segid "RW16" and resid 13   and name HA  ))
      1.900     0.500     0.500 peak   103 spectrum    1 weight  0.10000E+01 volume  0.19065E-01 ppm1      1.691 ppm2      3.900 CV     1
 OR {  103}
   (( segid "RW16" and resid 13   and name HB1 ))
   (( segid "RW16" and resid 13   and name HA  ))
 ASSI {  107}
   (( segid "RW16" and resid 9    and name HB2 ))
   (( segid "RW16" and resid 9    and name HA  ))
      2.300     0.600     0.600 peak   107 spectrum    1 weight  0.10000E+01 volume  0.68534E-02 ppm1      1.696 ppm2      3.826 CV     1
 ASSI {  113}
   (( segid "RW16" and resid 4    and name HB2 ))
   (( segid "RW16" and resid 4    and name HA  ))
      2.000     0.500     0.500 peak   113 spectrum    1 weight  0.10000E+01 volume  0.14514E-01 ppm1      1.701 ppm2      3.758 CV     1
 ASSI {  117}
   (( segid "RW16" and resid 4    and name HB2 ))
   (( segid "RW16" and resid 4    and name HN  ))
      2.600     2.600     3.400 peak   117 spectrum    1 weight  0.10000E+01 volume  0.27317E-02 ppm1      1.713 ppm2      7.762 CV     1
 ASSI {  118}
   (( segid "RW16" and resid 4    and name HB2 ))
   (( segid "RW16" and resid 4    and name HE  ))
      3.600     1.600     1.600 peak   118 spectrum    1 weight  0.10000E+01 volume  0.87234E-03 ppm1      1.714 ppm2      7.429 CV     1
 ASSI {  132}
   (( segid "RW16" and resid 14   and name HB1 ))
   (( segid "RW16" and resid 14   and name HE1 ))
      3.900     1.900     1.900 peak   132 spectrum    1 weight  0.10000E+01 volume  0.39226E-03 ppm1      2.655 ppm2     10.006 CV     1
 ASSI {  133}
   (( segid "RW16" and resid 14   and name HB1 ))
   (( segid "RW16" and resid 14   and name HE3 ))
      2.400     0.700     0.700 peak   133 spectrum    1 weight  0.10000E+01 volume  0.43606E-02 ppm1      2.661 ppm2      7.125 CV     1
 ASSI {  134}
   (( segid "RW16" and resid 15   and name HD2 ))
   (( segid "RW16" and resid 15   and name HA  ))
      2.800     0.900     0.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.29077E-02 ppm1      2.661 ppm2      3.628 CV     1
 OR {  134}
   (( segid "RW16" and resid 15   and name HD1 ))
   (( segid "RW16" and resid 15   and name HA  ))
 ASSI {  136}
   (( segid "RW16" and resid 15   and name HD2 ))
   (( segid "RW16" and resid 15   and name HN  ))
      2.600     0.900     0.900 peak   136 spectrum    1 weight  0.10000E+01 volume  0.23590E-02 ppm1      2.665 ppm2      7.723 CV     1
 OR {  136}
   (( segid "RW16" and resid 15   and name HD1 ))
   (( segid "RW16" and resid 15   and name HN  ))
 ASSI {  137}
   (( segid "RW16" and resid 15   and name HD2 ))
   (( segid "RW16" and resid 15   and name HE  ))
      2.600     0.900     0.900 peak   137 spectrum    1 weight  0.10000E+01 volume  0.24041E-02 ppm1      2.665 ppm2      7.107 CV     1
 OR {  137}
   (( segid "RW16" and resid 15   and name HD1 ))
   (( segid "RW16" and resid 15   and name HE  ))
 ASSI {  140}
   (( segid "RW16" and resid 14   and name HB1 ))
   (( segid "RW16" and resid 14   and name HN  ))
      2.500     0.800     0.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.36703E-02 ppm1      2.669 ppm2      7.832 CV     1
 ASSI {  142}
   (( segid "RW16" and resid 14   and name HB1 ))
   (( segid "RW16" and resid 14   and name HB2 ))
      2.000     0.500     0.500 peak   142 spectrum    1 weight  0.10000E+01 volume  0.10268E-01 ppm1      2.670 ppm2      2.894 CV     1
 ASSI {  143}
   (( segid "RW16" and resid 14   and name HB1 ))
   (( segid "RW16" and resid 14   and name HD1 ))
      2.800     1.000     1.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.34824E-02 ppm1      2.673 ppm2      6.813 CV     1
 ASSI {  146}
   (( segid "RW16" and resid 11   and name HB1 ))
   (( segid "RW16" and resid 11   and name HA  ))
      2.600     0.800     0.800 peak   146 spectrum    1 weight  0.10000E+01 volume  0.38863E-02 ppm1      2.769 ppm2      4.066 CV     1
 ASSI {  147}
   (( segid "RW16" and resid 11   and name HB1 ))
   (( segid "RW16" and resid 11   and name HD1 ))
      2.800     1.000     1.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.31995E-02 ppm1      2.770 ppm2      6.844 CV     1
 ASSI {  148}
   (( segid "RW16" and resid 11   and name HB1 ))
   (( segid "RW16" and resid 11   and name HE3 ))
      2.500     0.800     0.800 peak   148 spectrum    1 weight  0.10000E+01 volume  0.32176E-02 ppm1      2.770 ppm2      7.355 CV     1
 ASSI {  149}
   (( segid "RW16" and resid 11   and name HB1 ))
   (( segid "RW16" and resid 8    and name HA  ))
      3.100     1.200     1.200 peak   149 spectrum    1 weight  0.10000E+01 volume  0.15334E-02 ppm1      2.775 ppm2      3.755 CV     1
 ASSI {  150}
   (( segid "RW16" and resid 11   and name HB1 ))
   (( segid "RW16" and resid 11   and name HN  ))
      3.100     1.200     1.200 peak   150 spectrum    1 weight  0.10000E+01 volume  0.16203E-02 ppm1      2.780 ppm2      8.314 CV     1
 ASSI {  153}
   (( segid "RW16" and resid 10   and name HB1 ))
   (( segid "RW16" and resid 10   and name HN  ))
      2.400     0.700     0.700 peak   153 spectrum    1 weight  0.10000E+01 volume  0.39108E-02 ppm1      2.817 ppm2      7.804 CV     1
 ASSI {  160}
   (( segid "RW16" and resid 13   and name HD2 ))
   (( segid "RW16" and resid 13   and name HE  ))
      2.900     1.000     1.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.17505E-02 ppm1      2.860 ppm2      7.242 CV     1
 OR {  160}
   (( segid "RW16" and resid 13   and name HD1 ))
   (( segid "RW16" and resid 13   and name HE  ))
 ASSI {  161}
   (( segid "RW16" and resid 14   and name HB2 ))
   (( segid "RW16" and resid 14   and name HE3 ))
      2.900     2.900     3.100 peak   161 spectrum    1 weight  0.10000E+01 volume  0.35975E-02 ppm1      2.886 ppm2      7.129 CV     1
 ASSI {  162}
   (( segid "RW16" and resid 14   and name HB2 ))
   (( segid "RW16" and resid 14   and name HN  ))
      2.500     0.800     0.800 peak   162 spectrum    1 weight  0.10000E+01 volume  0.39710E-02 ppm1      2.895 ppm2      7.830 CV     1
 ASSI {  163}
   (( segid "RW16" and resid 14   and name HB2 ))
   (( segid "RW16" and resid 14   and name HD1 ))
      2.600     0.800     0.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.29405E-02 ppm1      2.899 ppm2      6.812 CV     1
 ASSI {  164}
   (( segid "RW16" and resid 14   and name HB2 ))
   (( segid "RW16" and resid 15   and name HN  ))
      3.000     1.200     1.200 peak   164 spectrum    1 weight  0.10000E+01 volume  0.31177E-02 ppm1      2.903 ppm2      7.723 CV     1
 ASSI {  167}
   (( segid "RW16" and resid 14   and name HB2 ))
   (( segid "RW16" and resid 14   and name HA  ))
      2.600     0.900     0.900 peak   167 spectrum    1 weight  0.10000E+01 volume  0.27091E-02 ppm1      2.908 ppm2      4.148 CV     1
 ASSI {  171}
   (( segid "RW16" and resid 11   and name HB2 ))
   (( segid "RW16" and resid 11   and name HE3 ))
      2.700     2.700     3.300 peak   171 spectrum    1 weight  0.10000E+01 volume  0.43341E-02 ppm1      2.934 ppm2      7.350 CV     1
 ASSI {  172}
   (( segid "RW16" and resid 11   and name HB2 ))
   (( segid "RW16" and resid 11   and name HA  ))
      2.400     0.700     0.700 peak   172 spectrum    1 weight  0.10000E+01 volume  0.47384E-02 ppm1      2.934 ppm2      4.066 CV     1
 ASSI {  173}
   (( segid "RW16" and resid 9    and name HD2 ))
   (( segid "RW16" and resid 9    and name HA  ))
      3.200     1.300     1.300 peak   173 spectrum    1 weight  0.10000E+01 volume  0.12873E-02 ppm1      2.937 ppm2      3.828 CV     1
 OR {  173}
   (( segid "RW16" and resid 9    and name HD1 ))
   (( segid "RW16" and resid 9    and name HA  ))
 ASSI {  174}
   (( segid "RW16" and resid 11   and name HB2 ))
   (( segid "RW16" and resid 11   and name HD1 ))
      2.300     0.700     0.700 peak   174 spectrum    1 weight  0.10000E+01 volume  0.53690E-02 ppm1      2.941 ppm2      6.843 CV     1
 ASSI {  175}
   (( segid "RW16" and resid 2    and name HD2 ))
   (( segid "RW16" and resid 2    and name HA  ))
      2.800     0.900     0.900 peak   175 spectrum    1 weight  0.10000E+01 volume  0.25241E-02 ppm1      2.944 ppm2      4.000 CV     1
 OR {  175}
   (( segid "RW16" and resid 2    and name HD1 ))
   (( segid "RW16" and resid 2    and name HA  ))
 ASSI {  176}
   (( segid "RW16" and resid 2    and name HD1 ))
   (( segid "RW16" and resid 2    and name HE  ))
      2.600     0.800     0.800 peak   176 spectrum    1 weight  0.10000E+01 volume  0.32693E-02 ppm1      2.945 ppm2      7.233 CV     1
 OR {  176}
   (( segid "RW16" and resid 2    and name HD2 ))
   (( segid "RW16" and resid 2    and name HE  ))
 ASSI {  184}
   (( segid "RW16" and resid 2    and name HD2 ))
   (( segid "RW16" and resid 2    and name HN  ))
      3.400     1.400     1.400 peak   184 spectrum    1 weight  0.10000E+01 volume  0.67232E-03 ppm1      2.973 ppm2      8.488 CV     1
 OR {  184}
   (( segid "RW16" and resid 2    and name HD1 ))
   (( segid "RW16" and resid 2    and name HN  ))
 ASSI {  187}
   (( segid "RW16" and resid 10   and name HB2 ))
   (( segid "RW16" and resid 10   and name HD1 ))
      3.000     1.100     1.100 peak   187 spectrum    1 weight  0.10000E+01 volume  0.24138E-02 ppm1      2.981 ppm2      6.620 CV     1
 ASSI {  188}
   (( segid "RW16" and resid 10   and name HB2 ))
   (( segid "RW16" and resid 10   and name HA  ))
      2.500     0.800     0.800 peak   188 spectrum    1 weight  0.10000E+01 volume  0.38209E-02 ppm1      2.981 ppm2      4.117 CV     1
 ASSI {  189}
   (( segid "RW16" and resid 10   and name HB2 ))
   (( segid "RW16" and resid 10   and name HE3 ))
      2.500     0.800     0.800 peak   189 spectrum    1 weight  0.10000E+01 volume  0.38922E-02 ppm1      2.982 ppm2      7.197 CV     1
 ASSI {  190}
   (( segid "RW16" and resid 5    and name HD2 ))
   (( segid "RW16" and resid 6    and name HE1 ))
      3.400     1.400     1.400 peak   190 spectrum    1 weight  0.10000E+01 volume  0.70096E-03 ppm1      2.985 ppm2     10.260 CV     1
 OR {  190}
   (( segid "RW16" and resid 5    and name HD1 ))
   (( segid "RW16" and resid 6    and name HE1 ))
 ASSI {  193}
   (( segid "RW16" and resid 10   and name HB2 ))
   (( segid "RW16" and resid 10   and name HN  ))
      2.700     0.900     0.900 peak   193 spectrum    1 weight  0.10000E+01 volume  0.46217E-02 ppm1      2.997 ppm2      7.807 CV     1
 ASSI {  194}
   (( segid "RW16" and resid 4    and name HD1 ))
   (( segid "RW16" and resid 4    and name HA  ))
      2.300     0.700     0.700 peak   194 spectrum    1 weight  0.10000E+01 volume  0.49921E-02 ppm1      2.998 ppm2      3.760 CV     1
 OR {  194}
   (( segid "RW16" and resid 4    and name HD2 ))
   (( segid "RW16" and resid 4    and name HA  ))
 ASSI {  195}
   (( segid "RW16" and resid 8    and name HD2 ))
   (( segid "RW16" and resid 8    and name HG2 ))
      2.200     0.600     0.600 peak   195 spectrum    1 weight  0.10000E+01 volume  0.77939E-02 ppm1      3.005 ppm2      1.400 CV     1
 OR {  195}
   (( segid "RW16" and resid 8    and name HD1 ))
   (( segid "RW16" and resid 8    and name HG1 ))
 OR {  195}
   (( segid "RW16" and resid 8    and name HD1 ))
   (( segid "RW16" and resid 8    and name HG2 ))
 OR {  195}
   (( segid "RW16" and resid 8    and name HD2 ))
   (( segid "RW16" and resid 8    and name HG1 ))
 ASSI {  197}
   (( segid "RW16" and resid 4    and name HD1 ))
   (( segid "RW16" and resid 7    and name HZ2 ))
      3.300     1.400     1.400 peak   197 spectrum    1 weight  0.10000E+01 volume  0.92275E-03 ppm1      3.005 ppm2      6.939 CV     1
 OR {  197}
   (( segid "RW16" and resid 4    and name HD2 ))
   (( segid "RW16" and resid 7    and name HZ2 ))
 OR {  197}
   (( segid "RW16" and resid 4    and name HD1 ))
   (( segid "RW16" and resid 7    and name HH2 ))
 OR {  197}
   (( segid "RW16" and resid 4    and name HD2 ))
   (( segid "RW16" and resid 7    and name HH2 ))
 ASSI {  200}
   (( segid "RW16" and resid 4    and name HD1 ))
   (( segid "RW16" and resid 7    and name HE1 ))
      4.100     2.100     1.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.28230E-03 ppm1      3.006 ppm2      9.632 CV     1
 OR {  200}
   (( segid "RW16" and resid 4    and name HD2 ))
   (( segid "RW16" and resid 7    and name HE1 ))
 ASSI {  201}
   (( segid "RW16" and resid 4    and name HD1 ))
   (( segid "RW16" and resid 4    and name HE  ))
      2.600     0.900     0.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.26954E-02 ppm1      3.006 ppm2      7.444 CV     1
 OR {  201}
   (( segid "RW16" and resid 4    and name HD2 ))
   (( segid "RW16" and resid 4    and name HE  ))
 ASSI {  205}
   (( segid "RW16" and resid 16   and name HD1 ))
   (( segid "RW16" and resid 16   and name HN  ))
      3.800     1.800     1.800 peak   205 spectrum    1 weight  0.10000E+01 volume  0.50343E-03 ppm1      3.022 ppm2      7.529 CV     1
 OR {  205}
   (( segid "RW16" and resid 16   and name HD2 ))
   (( segid "RW16" and resid 16   and name HN  ))
 ASSI {  206}
   (( segid "RW16" and resid 1    and name HD2 ))
   (( segid "RW16" and resid 1    and name HN  ))
      3.500     1.500     1.500 peak   206 spectrum    1 weight  0.10000E+01 volume  0.79103E-03 ppm1      3.034 ppm2      8.399 CV     1
 OR {  206}
   (( segid "RW16" and resid 1    and name HD1 ))
   (( segid "RW16" and resid 1    and name HN  ))
 ASSI {  210}
   (( segid "RW16" and resid 12   and name HD2 ))
   (( segid "RW16" and resid 12   and name HA  ))
      3.300     1.400     1.400 peak   210 spectrum    1 weight  0.10000E+01 volume  0.95627E-03 ppm1      3.039 ppm2      3.644 CV     1
 OR {  210}
   (( segid "RW16" and resid 12   and name HD1 ))
   (( segid "RW16" and resid 12   and name HA  ))
 ASSI {  211}
   (( segid "RW16" and resid 1    and name HD1 ))
   (( segid "RW16" and resid 1    and name HE  ))
      3.000     1.100     1.100 peak   211 spectrum    1 weight  0.10000E+01 volume  0.13425E-02 ppm1      3.039 ppm2      7.376 CV     1
 OR {  211}
   (( segid "RW16" and resid 1    and name HD2 ))
   (( segid "RW16" and resid 1    and name HE  ))
 ASSI {  212}
   (( segid "RW16" and resid 3    and name HB1 ))
   (( segid "RW16" and resid 3    and name HE1 ))
      3.500     1.600     1.600 peak   212 spectrum    1 weight  0.10000E+01 volume  0.77663E-03 ppm1      3.251 ppm2     10.476 CV     1
 OR {  212}
   (( segid "RW16" and resid 3    and name HB2 ))
   (( segid "RW16" and resid 3    and name HE1 ))
 ASSI {  213}
   (( segid "RW16" and resid 3    and name HB1 ))
   (( segid "RW16" and resid 3    and name HD1 ))
      2.300     0.700     0.700 peak   213 spectrum    1 weight  0.10000E+01 volume  0.69496E-02 ppm1      3.251 ppm2      7.071 CV     1
 OR {  213}
   (( segid "RW16" and resid 3    and name HB2 ))
   (( segid "RW16" and resid 3    and name HD1 ))
 ASSI {  214}
   (( segid "RW16" and resid 3    and name HB1 ))
   (( segid "RW16" and resid 2    and name HN  ))
      4.200     2.200     1.800 peak   214 spectrum    1 weight  0.10000E+01 volume  0.32710E-03 ppm1      3.251 ppm2      8.490 CV     1
 OR {  214}
   (( segid "RW16" and resid 3    and name HB2 ))
   (( segid "RW16" and resid 2    and name HN  ))
 ASSI {  215}
   (( segid "RW16" and resid 3    and name HB1 ))
   (( segid "RW16" and resid 3    and name HN  ))
      2.200     0.600     0.600 peak   215 spectrum    1 weight  0.10000E+01 volume  0.82085E-02 ppm1      3.253 ppm2      7.627 CV     1
 OR {  215}
   (( segid "RW16" and resid 3    and name HB2 ))
   (( segid "RW16" and resid 3    and name HN  ))
 ASSI {  216}
   (( segid "RW16" and resid 3    and name HB2 ))
   (( segid "RW16" and resid 4    and name HN  ))
      2.800     1.000     1.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.22591E-02 ppm1      3.257 ppm2      7.761 CV     1
 OR {  216}
   (( segid "RW16" and resid 3    and name HB1 ))
   (( segid "RW16" and resid 4    and name HN  ))
 ASSI {  217}
   (( segid "RW16" and resid 3    and name HB2 ))
   (( segid "RW16" and resid 3    and name HE3 ))
      2.000     0.500     0.500 peak   217 spectrum    1 weight  0.10000E+01 volume  0.16413E-01 ppm1      3.261 ppm2      7.336 CV     1
 OR {  217}
   (( segid "RW16" and resid 3    and name HB1 ))
   (( segid "RW16" and resid 3    and name HE3 ))
 ASSI {  218}
   (( segid "RW16" and resid 7    and name HB1 ))
   (( segid "RW16" and resid 7    and name HA  ))
      3.000     1.100     1.100 peak   218 spectrum    1 weight  0.10000E+01 volume  0.19767E-02 ppm1      3.261 ppm2      4.235 CV     1
 ASSI {  219}
   (( segid "RW16" and resid 7    and name HB1 ))
   (( segid "RW16" and resid 7    and name HE1 ))
      4.000     2.000     2.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.35646E-03 ppm1      3.266 ppm2      9.633 CV     1
 ASSI {  220}
   (( segid "RW16" and resid 6    and name HB1 ))
   (( segid "RW16" and resid 7    and name HN  ))
      2.500     0.800     0.800 peak   220 spectrum    1 weight  0.10000E+01 volume  0.37552E-02 ppm1      3.269 ppm2      8.103 CV     1
 OR {  220}
   (( segid "RW16" and resid 6    and name HB2 ))
   (( segid "RW16" and resid 7    and name HN  ))
 ASSI {  221}
   (( segid "RW16" and resid 6    and name HB2 ))
   (( segid "RW16" and resid 6    and name HE1 ))
      3.500     1.500     1.500 peak   221 spectrum    1 weight  0.10000E+01 volume  0.75481E-03 ppm1      3.271 ppm2     10.259 CV     1
 OR {  221}
   (( segid "RW16" and resid 6    and name HB1 ))
   (( segid "RW16" and resid 6    and name HE1 ))
 ASSI {  222}
   (( segid "RW16" and resid 7    and name HB1 ))
   (( segid "RW16" and resid 4    and name HA  ))
      2.400     0.700     0.700 peak   222 spectrum    1 weight  0.10000E+01 volume  0.30791E-02 ppm1      3.274 ppm2      3.761 CV     1
 ASSI {  223}
   (( segid "RW16" and resid 7    and name HB1 ))
   (( segid "RW16" and resid 7    and name HE3 ))
      3.200     1.300     1.300 peak   223 spectrum    1 weight  0.10000E+01 volume  0.31925E-02 ppm1      3.275 ppm2      7.421 CV     1
 ASSI {  224}
   (( segid "RW16" and resid 7    and name HB1 ))
   (( segid "RW16" and resid 7    and name HD1 ))
      2.300     0.700     0.700 peak   224 spectrum    1 weight  0.10000E+01 volume  0.49164E-02 ppm1      3.276 ppm2      7.041 CV     1
 ASSI {  225}
   (( segid "RW16" and resid 6    and name HB2 ))
   (( segid "RW16" and resid 6    and name HD1 ))
      2.300     0.700     0.700 peak   225 spectrum    1 weight  0.10000E+01 volume  0.75263E-02 ppm1      3.276 ppm2      7.157 CV     1
 OR {  225}
   (( segid "RW16" and resid 6    and name HB1 ))
   (( segid "RW16" and resid 6    and name HD1 ))
 ASSI {  226}
   (( segid "RW16" and resid 6    and name HB1 ))
   (( segid "RW16" and resid 6    and name HN  ))
      2.100     0.600     0.600 peak   226 spectrum    1 weight  0.10000E+01 volume  0.11137E-01 ppm1      3.277 ppm2      7.699 CV     1
 OR {  226}
   (( segid "RW16" and resid 6    and name HB2 ))
   (( segid "RW16" and resid 6    and name HN  ))
 ASSI {  229}
   (( segid "RW16" and resid 6    and name HB1 ))
   (( segid "RW16" and resid 6    and name HE3 ))
      2.000     0.500     0.500 peak   229 spectrum    1 weight  0.10000E+01 volume  0.17251E-01 ppm1      3.281 ppm2      7.336 CV     1
 OR {  229}
   (( segid "RW16" and resid 6    and name HB2 ))
   (( segid "RW16" and resid 6    and name HE3 ))
 ASSI {  230}
   (( segid "RW16" and resid 7    and name HB1 ))
   (( segid "RW16" and resid 7    and name HN  ))
      2.500     0.800     0.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.37420E-02 ppm1      3.281 ppm2      8.099 CV     1
 ASSI {  231}
   (( segid "RW16" and resid 7    and name HB1 ))
   (( segid "RW16" and resid 8    and name HN  ))
      2.600     0.900     0.900 peak   231 spectrum    1 weight  0.10000E+01 volume  0.22305E-02 ppm1      3.281 ppm2      7.801 CV     1
 ASSI {  235}
   (( segid "RW16" and resid 7    and name HB2 ))
   (( segid "RW16" and resid 7    and name HA  ))
      2.800     1.000     1.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.17562E-02 ppm1      3.349 ppm2      4.237 CV     1
 ASSI {  236}
   (( segid "RW16" and resid 7    and name HB2 ))
   (( segid "RW16" and resid 7    and name HN  ))
      2.700     0.900     0.900 peak   236 spectrum    1 weight  0.10000E+01 volume  0.23807E-02 ppm1      3.363 ppm2      8.103 CV     1
 ASSI {  237}
   (( segid "RW16" and resid 7    and name HB2 ))
   (( segid "RW16" and resid 8    and name HN  ))
      3.500     1.500     1.500 peak   237 spectrum    1 weight  0.10000E+01 volume  0.13759E-02 ppm1      3.370 ppm2      7.800 CV     1
 ASSI {  238}
   (( segid "RW16" and resid 7    and name HB2 ))
   (( segid "RW16" and resid 7    and name HD1 ))
      2.900     1.100     1.100 peak   238 spectrum    1 weight  0.10000E+01 volume  0.32003E-02 ppm1      3.377 ppm2      7.041 CV     1
 ASSI {  239}
   (( segid "RW16" and resid 7    and name HB2 ))
   (( segid "RW16" and resid 7    and name HE3 ))
      2.500     0.800     0.800 peak   239 spectrum    1 weight  0.10000E+01 volume  0.35460E-02 ppm1      3.379 ppm2      7.421 CV     1
 ASSI {  240}
   (( segid "RW16" and resid 7    and name HB2 ))
   (( segid "RW16" and resid 3    and name HE3 ))
      2.700     0.900     0.900 peak   240 spectrum    1 weight  0.10000E+01 volume  0.23452E-02 ppm1      3.380 ppm2      7.335 CV     1
 ASSI {  241}
   (( segid "RW16" and resid 15   and name HA  ))
   (( segid "RW16" and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   241 spectrum    1 weight  0.10000E+01 volume  0.30732E-02 ppm1      3.628 ppm2      7.537 CV     1
 ASSI {  242}
   (( segid "RW16" and resid 15   and name HA  ))
   (( segid "RW16" and resid 15   and name HN  ))
      2.400     0.700     0.700 peak   242 spectrum    1 weight  0.10000E+01 volume  0.53045E-02 ppm1      3.631 ppm2      7.723 CV     1
 ASSI {  245}
   (( segid "RW16" and resid 15   and name HA  ))
   (( segid "RW16" and resid 15   and name HE  ))
      3.400     1.500     1.500 peak   245 spectrum    1 weight  0.10000E+01 volume  0.11357E-02 ppm1      3.632 ppm2      7.122 CV     1
 ASSI {  246}
   (( segid "RW16" and resid 15   and name HA  ))
   (( segid "RW16" and resid 15   and name HG1 ))
      2.600     0.800     0.800 peak   246 spectrum    1 weight  0.10000E+01 volume  0.33469E-02 ppm1      3.633 ppm2      1.071 CV     1
 OR {  246}
   (( segid "RW16" and resid 15   and name HA  ))
   (( segid "RW16" and resid 15   and name HG2 ))
 ASSI {  251}
   (( segid "RW16" and resid 12   and name HA  ))
   (( segid "RW16" and resid 12   and name HN  ))
      3.000     1.100     1.100 peak   251 spectrum    1 weight  0.10000E+01 volume  0.14024E-02 ppm1      3.656 ppm2      7.500 CV     1
 ASSI {  253}
   (( segid "RW16" and resid 4    and name HA  ))
   (( segid "RW16" and resid 4    and name HN  ))
      2.700     0.900     0.900 peak   253 spectrum    1 weight  0.10000E+01 volume  0.22969E-02 ppm1      3.758 ppm2      7.762 CV     1
 ASSI {  258}
   (( segid "RW16" and resid 4    and name HA  ))
   (( segid "RW16" and resid 7    and name HB2 ))
      3.100     1.200     1.200 peak   258 spectrum    1 weight  0.10000E+01 volume  0.12389E-02 ppm1      3.762 ppm2      3.377 CV     1
 ASSI {  261}
   (( segid "RW16" and resid 4    and name HA  ))
   (( segid "RW16" and resid 5    and name HN  ))
      2.600     0.800     0.800 peak   261 spectrum    1 weight  0.10000E+01 volume  0.31794E-02 ppm1      3.765 ppm2      7.823 CV     1
 ASSI {  265}
   (( segid "RW16" and resid 4    and name HA  ))
   (( segid "RW16" and resid 3    and name HE3 ))
      2.800     1.000     1.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.19366E-02 ppm1      3.767 ppm2      7.337 CV     1
 ASSI {  271}
   (( segid "RW16" and resid 9    and name HA  ))
   (( segid "RW16" and resid 9    and name HN  ))
      2.500     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.37476E-02 ppm1      3.829 ppm2      7.554 CV     1
 ASSI {  274}
   (( segid "RW16" and resid 5    and name HA  ))
   (( segid "RW16" and resid 6    and name HN  ))
      2.900     1.000     1.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.18918E-02 ppm1      3.901 ppm2      7.700 CV     1
 ASSI {  277}
   (( segid "RW16" and resid 5    and name HA  ))
   (( segid "RW16" and resid 8    and name HG1 ))
      2.700     0.900     0.900 peak   277 spectrum    1 weight  0.10000E+01 volume  0.23854E-02 ppm1      3.903 ppm2      1.374 CV     1
 OR {  277}
   (( segid "RW16" and resid 5    and name HA  ))
   (( segid "RW16" and resid 8    and name HG2 ))
 ASSI {  278}
   (( segid "RW16" and resid 5    and name HA  ))
   (( segid "RW16" and resid 5    and name HN  ))
      2.400     0.700     0.700 peak   278 spectrum    1 weight  0.10000E+01 volume  0.47172E-02 ppm1      3.904 ppm2      7.823 CV     1
 ASSI {  279}
   (( segid "RW16" and resid 13   and name HA  ))
   (( segid "RW16" and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.40282E-02 ppm1      3.918 ppm2      7.359 CV     1
 ASSI {  280}
   (( segid "RW16" and resid 1    and name HA  ))
   (( segid "RW16" and resid 1    and name HN  ))
      2.400     0.700     0.700 peak   280 spectrum    1 weight  0.10000E+01 volume  0.53169E-02 ppm1      3.931 ppm2      8.399 CV     1
 ASSI {  282}
   (( segid "RW16" and resid 1    and name HA  ))
   (( segid "RW16" and resid 2    and name HN  ))
      2.300     0.700     0.700 peak   282 spectrum    1 weight  0.10000E+01 volume  0.57370E-02 ppm1      3.938 ppm2      8.490 CV     1
 ASSI {  283}
   (( segid "RW16" and resid 1    and name HA  ))
   (( segid "RW16" and resid 3    and name HE1 ))
      3.700     1.700     1.700 peak   283 spectrum    1 weight  0.10000E+01 volume  0.42226E-03 ppm1      3.938 ppm2     10.479 CV     1
 ASSI {  285}
   (( segid "RW16" and resid 1    and name HA  ))
   (( segid "RW16" and resid 4    and name HN  ))
      3.300     1.400     1.400 peak   285 spectrum    1 weight  0.10000E+01 volume  0.74070E-03 ppm1      3.942 ppm2      7.757 CV     1
 ASSI {  289}
   (( segid "RW16" and resid 16   and name HA  ))
   (( segid "RW16" and resid 16   and name HN  ))
      2.600     0.800     0.800 peak   289 spectrum    1 weight  0.10000E+01 volume  0.33385E-02 ppm1      3.966 ppm2      7.539 CV     1
 ASSI {  293}
   (( segid "RW16" and resid 2    and name HA  ))
   (( segid "RW16" and resid 3    and name HD1 ))
      3.700     1.700     1.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.79823E-03 ppm1      3.979 ppm2      7.071 CV     1
 ASSI {  295}
   (( segid "RW16" and resid 2    and name HA  ))
   (( segid "RW16" and resid 3    and name HN  ))
      2.600     0.800     0.800 peak   295 spectrum    1 weight  0.10000E+01 volume  0.34150E-02 ppm1      3.995 ppm2      7.627 CV     1
 ASSI {  296}
   (( segid "RW16" and resid 2    and name HA  ))
   (( segid "RW16" and resid 2    and name HN  ))
      2.500     0.800     0.800 peak   296 spectrum    1 weight  0.10000E+01 volume  0.39195E-02 ppm1      4.000 ppm2      8.490 CV     1
 ASSI {  297}
   (( segid "RW16" and resid 11   and name HA  ))
   (( segid "RW16" and resid 11   and name HD1 ))
      2.900     1.100     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.19312E-02 ppm1      4.070 ppm2      6.846 CV     1
 ASSI {  302}
   (( segid "RW16" and resid 10   and name HA  ))
   (( segid "RW16" and resid 10   and name HE3 ))
      2.600     0.900     0.900 peak   302 spectrum    1 weight  0.10000E+01 volume  0.33449E-02 ppm1      4.111 ppm2      7.197 CV     1
 ASSI {  303}
   (( segid "RW16" and resid 10   and name HA  ))
   (( segid "RW16" and resid 10   and name HE1 ))
      4.400     2.400     1.600 peak   303 spectrum    1 weight  0.10000E+01 volume  0.18763E-03 ppm1      4.115 ppm2      9.366 CV     1
 ASSI {  305}
   (( segid "RW16" and resid 10   and name HA  ))
   (( segid "RW16" and resid 10   and name HN  ))
      2.600     0.900     0.900 peak   305 spectrum    1 weight  0.10000E+01 volume  0.28479E-02 ppm1      4.119 ppm2      7.805 CV     1
 ASSI {  312}
   (( segid "RW16" and resid 14   and name HA  ))
   (( segid "RW16" and resid 15   and name HN  ))
      2.600     0.900     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.34360E-02 ppm1      4.148 ppm2      7.723 CV     1
 ASSI {  313}
   (( segid "RW16" and resid 14   and name HA  ))
   (( segid "RW16" and resid 14   and name HB1 ))
      2.700     0.900     0.900 peak   313 spectrum    1 weight  0.10000E+01 volume  0.31331E-02 ppm1      4.148 ppm2      2.669 CV     1
 ASSI {  314}
   (( segid "RW16" and resid 14   and name HA  ))
   (( segid "RW16" and resid 14   and name HN  ))
      2.600     0.900     0.900 peak   314 spectrum    1 weight  0.10000E+01 volume  0.30955E-02 ppm1      4.153 ppm2      7.832 CV     1
 ASSI {  315}
   (( segid "RW16" and resid 14   and name HA  ))
   (( segid "RW16" and resid 14   and name HD1 ))
      2.500     0.800     0.800 peak   315 spectrum    1 weight  0.10000E+01 volume  0.42321E-02 ppm1      4.153 ppm2      6.816 CV     1
 ASSI {  316}
   (( segid "RW16" and resid 7    and name HA  ))
   (( segid "RW16" and resid 10   and name HE1 ))
      4.200     2.200     1.800 peak   316 spectrum    1 weight  0.10000E+01 volume  0.23563E-03 ppm1      4.238 ppm2      9.369 CV     1
 ASSI {  317}
   (( segid "RW16" and resid 6    and name HA  ))
   (( segid "RW16" and resid 7    and name HB2 ))
      2.900     2.900     3.100 peak   317 spectrum    1 weight  0.10000E+01 volume  0.31083E-02 ppm1      4.238 ppm2      3.376 CV     1
 ASSI {  318}
   (( segid "RW16" and resid 7    and name HA  ))
   (( segid "RW16" and resid 7    and name HD1 ))
      3.100     1.200     1.200 peak   318 spectrum    1 weight  0.10000E+01 volume  0.13329E-02 ppm1      4.238 ppm2      7.041 CV     1
 ASSI {  319}
   (( segid "RW16" and resid 7    and name HA  ))
   (( segid "RW16" and resid 7    and name HE3 ))
      2.500     0.800     0.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.41926E-02 ppm1      4.239 ppm2      7.421 CV     1
 ASSI {  321}
   (( segid "RW16" and resid 7    and name HA  ))
   (( segid "RW16" and resid 7    and name HN  ))
      2.900     1.000     1.000 peak   321 spectrum    1 weight  0.10000E+01 volume  0.18086E-02 ppm1      4.250 ppm2      8.102 CV     1
 ASSI {  322}
   (( segid "RW16" and resid 6    and name HA  ))
   (( segid "RW16" and resid 6    and name HE3 ))
      2.900     2.900     3.100 peak   322 spectrum    1 weight  0.10000E+01 volume  0.41428E-02 ppm1      4.256 ppm2      7.339 CV     1
 ASSI {  323}
   (( segid "RW16" and resid 6    and name HA  ))
   (( segid "RW16" and resid 9    and name HN  ))
      3.000     1.100     1.100 peak   323 spectrum    1 weight  0.10000E+01 volume  0.13173E-02 ppm1      4.257 ppm2      7.549 CV     1
 ASSI {  324}
   (( segid "RW16" and resid 6    and name HA  ))
   (( segid "RW16" and resid 6    and name HB2 ))
      2.300     0.600     0.600 peak   324 spectrum    1 weight  0.10000E+01 volume  0.75495E-02 ppm1      4.260 ppm2      3.281 CV     1
 OR {  324}
   (( segid "RW16" and resid 6    and name HA  ))
   (( segid "RW16" and resid 6    and name HB1 ))
 ASSI {  325}
   (( segid "RW16" and resid 6    and name HA  ))
   (( segid "RW16" and resid 6    and name HE1 ))
      4.000     2.000     2.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.48389E-03 ppm1      4.262 ppm2     10.259 CV     1
 ASSI {  326}
   (( segid "RW16" and resid 6    and name HA  ))
   (( segid "RW16" and resid 6    and name HD1 ))
      2.400     0.700     0.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.55955E-02 ppm1      4.267 ppm2      7.157 CV     1
 ASSI {  327}
   (( segid "RW16" and resid 6    and name HA  ))
   (( segid "RW16" and resid 6    and name HN  ))
      2.500     0.800     0.800 peak   327 spectrum    1 weight  0.10000E+01 volume  0.41120E-02 ppm1      4.268 ppm2      7.699 CV     1
 ASSI {  328}
   (( segid "RW16" and resid 3    and name HA  ))
   (( segid "RW16" and resid 3    and name HB1 ))
      2.300     0.600     0.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.69951E-02 ppm1      4.440 ppm2      3.251 CV     1
 OR {  328}
   (( segid "RW16" and resid 3    and name HA  ))
   (( segid "RW16" and resid 3    and name HB2 ))
 ASSI {  329}
   (( segid "RW16" and resid 3    and name HA  ))
   (( segid "RW16" and resid 6    and name HN  ))
      3.100     1.200     1.200 peak   329 spectrum    1 weight  0.10000E+01 volume  0.11128E-02 ppm1      4.442 ppm2      7.699 CV     1
 ASSI {  330}
   (( segid "RW16" and resid 3    and name HA  ))
   (( segid "RW16" and resid 6    and name HE1 ))
      3.900     1.900     1.900 peak   330 spectrum    1 weight  0.10000E+01 volume  0.30237E-03 ppm1      4.442 ppm2     10.263 CV     1
 ASSI {  331}
   (( segid "RW16" and resid 3    and name HA  ))
   (( segid "RW16" and resid 3    and name HD1 ))
      2.800     2.800     3.200 peak   331 spectrum    1 weight  0.10000E+01 volume  0.42102E-02 ppm1      4.443 ppm2      7.071 CV     1
 ASSI {  332}
   (( segid "RW16" and resid 3    and name HA  ))
   (( segid "RW16" and resid 3    and name HN  ))
      2.600     0.900     0.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.29200E-02 ppm1      4.444 ppm2      7.626 CV     1
 ASSI {  334}
   (( segid "RW16" and resid 3    and name HA  ))
   (( segid "RW16" and resid 3    and name HE3 ))
      2.700     2.700     3.300 peak   334 spectrum    1 weight  0.10000E+01 volume  0.50662E-02 ppm1      4.445 ppm2      7.337 CV     1
 ASSI {  335}
   (( segid "RW16" and resid 3    and name HA  ))
   (( segid "RW16" and resid 4    and name HN  ))
      3.100     1.200     1.200 peak   335 spectrum    1 weight  0.10000E+01 volume  0.10702E-02 ppm1      4.447 ppm2      7.759 CV     1
 ASSI {  336}
   (( segid "RW16" and resid 3    and name HA  ))
   (( segid "RW16" and resid 6    and name HZ2 ))
      3.000     3.000     3.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.15916E-02 ppm1      4.448 ppm2      7.156 CV     1
 OR {  336}
   (( segid "RW16" and resid 3    and name HA  ))
   (( segid "RW16" and resid 6    and name HD1 ))
 ASSI {  337}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 15   and name HD1 ))
      3.000     1.100     1.100 peak   337 spectrum    1 weight  0.10000E+01 volume  0.14514E-02 ppm1      6.616 ppm2      2.658 CV     1
 OR {  337}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 15   and name HD2 ))
 ASSI {  338}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 10   and name HN  ))
      3.500     1.600     1.600 peak   338 spectrum    1 weight  0.10000E+01 volume  0.92885E-03 ppm1      6.625 ppm2      7.807 CV     1
 ASSI {  339}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 10   and name HA  ))
      3.300     1.300     1.300 peak   339 spectrum    1 weight  0.10000E+01 volume  0.11017E-02 ppm1      6.625 ppm2      4.121 CV     1
 ASSI {  345}
   (( segid "RW16" and resid 6    and name HZ3 ))
   (( segid "RW16" and resid 6    and name HE1 ))
      3.700     3.700     2.300 peak   345 spectrum    1 weight  0.10000E+01 volume  0.48852E-03 ppm1      6.635 ppm2     10.260 CV     1
 ASSI {  350}
   (( segid "RW16" and resid 3    and name HZ3 ))
   (( segid "RW16" and resid 3    and name HE3 ))
      2.000     0.500     0.500 peak   350 spectrum    1 weight  0.10000E+01 volume  0.16710E-01 ppm1      6.646 ppm2      7.338 CV     1
 ASSI {  353}
   (( segid "RW16" and resid 10   and name HH2 ))
   (( segid "RW16" and resid 10   and name HZ2 ))
      2.300     0.700     0.700 peak   353 spectrum    1 weight  0.10000E+01 volume  0.62322E-02 ppm1      6.751 ppm2      7.014 CV     1
 ASSI {  354}
   (( segid "RW16" and resid 10   and name HZ3 ))
   (( segid "RW16" and resid 10   and name HE3 ))
      2.100     0.600     0.600 peak   354 spectrum    1 weight  0.10000E+01 volume  0.10585E-01 ppm1      6.778 ppm2      7.177 CV     1
 ASSI {  355}
   (( segid "RW16" and resid 6    and name HH2 ))
   (( segid "RW16" and resid 6    and name HE1 ))
      4.100     2.100     1.900 peak   355 spectrum    1 weight  0.10000E+01 volume  0.41297E-03 ppm1      6.778 ppm2     10.261 CV     1
 ASSI {  356}
   (( segid "RW16" and resid 6    and name HH2 ))
   (( segid "RW16" and resid 6    and name HZ2 ))
      2.000     0.500     0.500 peak   356 spectrum    1 weight  0.10000E+01 volume  0.14319E-01 ppm1      6.785 ppm2      7.196 CV     1
 ASSI {  358}
   (( segid "RW16" and resid 7    and name HZ3 ))
   (( segid "RW16" and resid 7    and name HE3 ))
      2.100     0.600     0.600 peak   358 spectrum    1 weight  0.10000E+01 volume  0.11196E-01 ppm1      6.793 ppm2      7.420 CV     1
 ASSI {  361}
   (( segid "RW16" and resid 7    and name HZ3 ))
   (( segid "RW16" and resid 7    and name HB2 ))
      4.200     2.200     1.800 peak   361 spectrum    1 weight  0.10000E+01 volume  0.32724E-03 ppm1      6.798 ppm2      3.377 CV     1
 ASSI {  362}
   (( segid "RW16" and resid 14   and name HD1 ))
   (( segid "RW16" and resid 15   and name HN  ))
      3.600     3.600     2.400 peak   362 spectrum    1 weight  0.10000E+01 volume  0.80368E-03 ppm1      6.804 ppm2      7.723 CV     1
 ASSI {  365}
   (( segid "RW16" and resid 14   and name HD1 ))
   (( segid "RW16" and resid 14   and name HN  ))
      3.600     1.700     1.700 peak   365 spectrum    1 weight  0.10000E+01 volume  0.68371E-03 ppm1      6.816 ppm2      7.830 CV     1
 ASSI {  367}
   (( segid "RW16" and resid 7    and name HZ3 ))
   (( segid "RW16" and resid 7    and name HZ2 ))
      2.100     2.100     3.900 peak   367 spectrum    1 weight  0.10000E+01 volume  0.20507E-01 ppm1      6.819 ppm2      6.934 CV     1
 ASSI {  370}
   (( segid "RW16" and resid 14   and name HZ3 ))
   (( segid "RW16" and resid 15   and name HA  ))
      3.500     1.500     1.500 peak   370 spectrum    1 weight  0.10000E+01 volume  0.67606E-03 ppm1      6.828 ppm2      3.628 CV     1
 ASSI {  375}
   (( segid "RW16" and resid 11   and name HZ3 ))
   (( segid "RW16" and resid 11   and name HE3 ))
      2.100     0.600     0.600 peak   375 spectrum    1 weight  0.10000E+01 volume  0.11268E-01 ppm1      6.839 ppm2      7.356 CV     1
 ASSI {  376}
   (( segid "RW16" and resid 14   and name HZ3 ))
   (( segid "RW16" and resid 14   and name HE3 ))
      2.200     0.600     0.600 peak   376 spectrum    1 weight  0.10000E+01 volume  0.74419E-02 ppm1      6.839 ppm2      7.129 CV     1
 ASSI {  380}
   (( segid "RW16" and resid 11   and name HZ3 ))
   (( segid "RW16" and resid 12   and name HA  ))
      3.600     1.600     1.600 peak   380 spectrum    1 weight  0.10000E+01 volume  0.61377E-03 ppm1      6.841 ppm2      3.648 CV     1
 ASSI {  382}
   (( segid "RW16" and resid 11   and name HZ3 ))
   (( segid "RW16" and resid 11   and name HH2 ))
      2.200     0.600     0.600 peak   382 spectrum    1 weight  0.10000E+01 volume  0.92769E-02 ppm1      6.846 ppm2      7.014 CV     1
 ASSI {  384}
   (( segid "RW16" and resid 3    and name HH2 ))
   (( segid "RW16" and resid 3    and name HE1 ))
      3.900     1.900     1.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.55075E-03 ppm1      6.848 ppm2     10.477 CV     1
 ASSI {  385}
   (( segid "RW16" and resid 3    and name HH2 ))
   (( segid "RW16" and resid 3    and name HZ2 ))
      2.100     0.500     0.500 peak   385 spectrum    1 weight  0.10000E+01 volume  0.13444E-01 ppm1      6.853 ppm2      7.295 CV     1
 ASSI {  386}
   (( segid "RW16" and resid 3    and name HH2 ))
   (( segid "RW16" and resid 3    and name HZ3 ))
      2.200     0.600     0.600 peak   386 spectrum    1 weight  0.10000E+01 volume  0.84143E-02 ppm1      6.860 ppm2      6.626 CV     1
 ASSI {  387}
   (( segid "RW16" and resid 14   and name HH2 ))
   (( segid "RW16" and resid 14   and name HZ2 ))
      2.200     0.600     0.600 peak   387 spectrum    1 weight  0.10000E+01 volume  0.81263E-02 ppm1      6.921 ppm2      7.269 CV     1
 ASSI {  389}
   (( segid "RW16" and resid 11   and name HH2 ))
   (( segid "RW16" and resid 16   and name HA  ))
      3.300     3.300     2.700 peak   389 spectrum    1 weight  0.10000E+01 volume  0.10881E-02 ppm1      6.978 ppm2      3.970 CV     1
 ASSI {  392}
   (( segid "RW16" and resid 11   and name HH2 ))
   (( segid "RW16" and resid 11   and name HZ2 ))
      2.000     0.500     0.500 peak   392 spectrum    1 weight  0.10000E+01 volume  0.14499E-01 ppm1      7.023 ppm2      7.341 CV     1
 ASSI {  397}
   (( segid "RW16" and resid 7    and name HD1 ))
   (( segid "RW16" and resid 7    and name HN  ))
      4.000     2.000     2.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.49460E-03 ppm1      7.047 ppm2      8.103 CV     1
 ASSI {  400}
   (( segid "RW16" and resid 3    and name HD1 ))
   (( segid "RW16" and resid 3    and name HE1 ))
      2.100     0.500     0.500 peak   400 spectrum    1 weight  0.10000E+01 volume  0.12993E-01 ppm1      7.068 ppm2     10.477 CV     1
 ASSI {  415}
   (( segid "RW16" and resid 14   and name HE3 ))
   (( segid "RW16" and resid 15   and name HA  ))
      3.300     1.300     1.300 peak   415 spectrum    1 weight  0.10000E+01 volume  0.74601E-03 ppm1      7.124 ppm2      3.627 CV     1
 ASSI {  416}
   (( segid "RW16" and resid 15   and name HE  ))
   (( segid "RW16" and resid 10   and name HZ2 ))
      1.600     0.300     0.600 peak   416 spectrum    1 weight  0.10000E+01 volume  0.45831E-01 ppm1      7.125 ppm2      6.971 CV     1
 ASSI {  417}
   (( segid "RW16" and resid 14   and name HE3 ))
   (( segid "RW16" and resid 14   and name HA  ))
      3.200     1.300     1.300 peak   417 spectrum    1 weight  0.10000E+01 volume  0.10534E-02 ppm1      7.126 ppm2      4.152 CV     1
 ASSI {  420}
   (( segid "RW16" and resid 6    and name HD1 ))
   (( segid "RW16" and resid 6    and name HN  ))
      3.000     1.100     1.100 peak   420 spectrum    1 weight  0.10000E+01 volume  0.14203E-02 ppm1      7.153 ppm2      7.705 CV     1
 ASSI {  421}
   (( segid "RW16" and resid 14   and name HE3 ))
   (( segid "RW16" and resid 11   and name HA  ))
      3.500     1.600     1.600 peak   421 spectrum    1 weight  0.10000E+01 volume  0.93184E-03 ppm1      7.154 ppm2      4.067 CV     1
 ASSI {  422}
   (( segid "RW16" and resid 6    and name HD1 ))
   (( segid "RW16" and resid 6    and name HE1 ))
      2.000     0.500     0.500 peak   422 spectrum    1 weight  0.10000E+01 volume  0.15127E-01 ppm1      7.162 ppm2     10.261 CV     1
 ASSI {  430}
   (( segid "RW16" and resid 10   and name HE3 ))
   (( segid "RW16" and resid 11   and name HA  ))
      3.300     3.300     2.700 peak   430 spectrum    1 weight  0.10000E+01 volume  0.92820E-03 ppm1      7.195 ppm2      4.066 CV     1
 ASSI {  449}
   (( segid "RW16" and resid 11   and name HE3 ))
   (( segid "RW16" and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   449 spectrum    1 weight  0.10000E+01 volume  0.37402E-02 ppm1      7.351 ppm2      4.067 CV     1
 ASSI {  450}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 9    and name HA  ))
      3.700     1.700     1.700 peak   450 spectrum    1 weight  0.10000E+01 volume  0.39517E-03 ppm1      7.355 ppm2      3.827 CV     1
 ASSI {  456}
   (( segid "RW16" and resid 11   and name HE3 ))
   (( segid "RW16" and resid 15   and name HB1 ))
      3.300     1.400     1.400 peak   456 spectrum    1 weight  0.10000E+01 volume  0.98406E-03 ppm1      7.361 ppm2      1.360 CV     1
 OR {  456}
   (( segid "RW16" and resid 11   and name HZ2 ))
   (( segid "RW16" and resid 15   and name HB1 ))
 ASSI {  460}
   (( segid "RW16" and resid 11   and name HE3 ))
   (( segid "RW16" and resid 12   and name HA  ))
      3.100     1.200     1.200 peak   460 spectrum    1 weight  0.10000E+01 volume  0.11842E-02 ppm1      7.364 ppm2      3.644 CV     1
 ASSI {  462}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 10   and name HA  ))
      3.300     1.400     1.400 peak   462 spectrum    1 weight  0.10000E+01 volume  0.84732E-03 ppm1      7.374 ppm2      4.120 CV     1
 ASSI {  473}
   (( segid "RW16" and resid 12   and name HN  ))
   (( segid "RW16" and resid 11   and name HB1 ))
      3.100     1.200     1.200 peak   473 spectrum    1 weight  0.10000E+01 volume  0.98769E-03 ppm1      7.501 ppm2      2.773 CV     1
 ASSI {  474}
   (( segid "RW16" and resid 12   and name HN  ))
   (( segid "RW16" and resid 11   and name HA  ))
      3.100     1.200     1.200 peak   474 spectrum    1 weight  0.10000E+01 volume  0.13372E-02 ppm1      7.504 ppm2      4.066 CV     1
 ASSI {  475}
   (( segid "RW16" and resid 12   and name HN  ))
   (( segid "RW16" and resid 11   and name HN  ))
      3.300     1.300     1.300 peak   475 spectrum    1 weight  0.10000E+01 volume  0.80157E-03 ppm1      7.505 ppm2      8.312 CV     1
 ASSI {  479}
   (( segid "RW16" and resid 16   and name HN  ))
   (( segid "RW16" and resid 15   and name HG2 ))
      3.800     1.800     1.800 peak   479 spectrum    1 weight  0.10000E+01 volume  0.55507E-03 ppm1      7.527 ppm2      1.074 CV     1
 OR {  479}
   (( segid "RW16" and resid 16   and name HN  ))
   (( segid "RW16" and resid 15   and name HG1 ))
 ASSI {  480}
   (( segid "RW16" and resid 16   and name HN  ))
   (( segid "RW16" and resid 15   and name HN  ))
      2.600     0.800     0.800 peak   480 spectrum    1 weight  0.10000E+01 volume  0.32641E-02 ppm1      7.534 ppm2      7.723 CV     1
 ASSI {  495}
   (( segid "RW16" and resid 9    and name HN  ))
   (( segid "RW16" and resid 8    and name HA  ))
      2.800     1.000     1.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.20784E-02 ppm1      7.560 ppm2      3.759 CV     1
 ASSI {  498}
   (( segid "RW16" and resid 3    and name HN  ))
   (( segid "RW16" and resid 4    and name HN  ))
      2.800     1.000     1.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.18891E-02 ppm1      7.619 ppm2      7.762 CV     1
 ASSI {  499}
   (( segid "RW16" and resid 3    and name HN  ))
   (( segid "RW16" and resid 3    and name HE1 ))
      4.100     2.100     1.900 peak   499 spectrum    1 weight  0.10000E+01 volume  0.43335E-03 ppm1      7.624 ppm2     10.478 CV     1
 ASSI {  500}
   (( segid "RW16" and resid 3    and name HN  ))
   (( segid "RW16" and resid 2    and name HN  ))
      2.700     0.900     0.900 peak   500 spectrum    1 weight  0.10000E+01 volume  0.23488E-02 ppm1      7.624 ppm2      8.489 CV     1
 ASSI {  503}
   (( segid "RW16" and resid 3    and name HN  ))
   (( segid "RW16" and resid 3    and name HD1 ))
      2.300     0.700     0.700 peak   503 spectrum    1 weight  0.10000E+01 volume  0.55133E-02 ppm1      7.631 ppm2      7.071 CV     1
 ASSI {  507}
   (( segid "RW16" and resid 6    and name HN  ))
   (( segid "RW16" and resid 5    and name HN  ))
      2.500     0.800     0.800 peak   507 spectrum    1 weight  0.10000E+01 volume  0.36137E-02 ppm1      7.701 ppm2      7.823 CV     1
 ASSI {  516}
   (( segid "RW16" and resid 15   and name HN  ))
   (( segid "RW16" and resid 12   and name HA  ))
      3.100     3.100     2.900 peak   516 spectrum    1 weight  0.10000E+01 volume  0.13081E-02 ppm1      7.729 ppm2      3.650 CV     1
 ASSI {  520}
   (( segid "RW16" and resid 15   and name HN  ))
   (( segid "RW16" and resid 11   and name HA  ))
      3.500     1.500     1.500 peak   520 spectrum    1 weight  0.10000E+01 volume  0.54852E-03 ppm1      7.736 ppm2      4.068 CV     1
 ASSI {  530}
   (( segid "RW16" and resid 8    and name HN  ))
   (( segid "RW16" and resid 8    and name HA  ))
      2.200     0.600     0.600 peak   530 spectrum    1 weight  0.10000E+01 volume  0.84550E-02 ppm1      7.794 ppm2      3.759 CV     1
 ASSI {  535}
   (( segid "RW16" and resid 8    and name HN  ))
   (( segid "RW16" and resid 7    and name HA  ))
      3.300     1.300     1.300 peak   535 spectrum    1 weight  0.10000E+01 volume  0.86500E-03 ppm1      7.803 ppm2      4.237 CV     1
 ASSI {  538}
   (( segid "RW16" and resid 10   and name HN  ))
   (( segid "RW16" and resid 9    and name HA  ))
      3.100     1.200     1.200 peak   538 spectrum    1 weight  0.10000E+01 volume  0.12271E-02 ppm1      7.806 ppm2      3.826 CV     1
 ASSI {  547}
   (( segid "RW16" and resid 14   and name HN  ))
   (( segid "RW16" and resid 11   and name HA  ))
      3.300     1.300     1.300 peak   547 spectrum    1 weight  0.10000E+01 volume  0.83976E-03 ppm1      7.820 ppm2      4.066 CV     1
 ASSI {  558}
   (( segid "RW16" and resid 7    and name HN  ))
   (( segid "RW16" and resid 4    and name HA  ))
      3.200     1.300     1.300 peak   558 spectrum    1 weight  0.10000E+01 volume  0.11668E-02 ppm1      8.100 ppm2      3.761 CV     1
 ASSI {  559}
   (( segid "RW16" and resid 7    and name HN  ))
   (( segid "RW16" and resid 6    and name HN  ))
      2.600     0.800     0.800 peak   559 spectrum    1 weight  0.10000E+01 volume  0.31972E-02 ppm1      8.100 ppm2      7.699 CV     1
 ASSI {  563}
   (( segid "RW16" and resid 7    and name HN  ))
   (( segid "RW16" and resid 8    and name HN  ))
      2.900     1.000     1.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.16304E-02 ppm1      8.116 ppm2      7.800 CV     1
 ASSI {  564}
   (( segid "RW16" and resid 11   and name HN  ))
   (( segid "RW16" and resid 11   and name HD1 ))
      3.800     1.800     1.800 peak   564 spectrum    1 weight  0.10000E+01 volume  0.70996E-03 ppm1      8.303 ppm2      6.844 CV     1
 ASSI {  565}
   (( segid "RW16" and resid 11   and name HN  ))
   (( segid "RW16" and resid 10   and name HA  ))
      3.800     1.800     1.800 peak   565 spectrum    1 weight  0.10000E+01 volume  0.32385E-03 ppm1      8.309 ppm2      4.122 CV     1
 ASSI {  568}
   (( segid "RW16" and resid 11   and name HN  ))
   (( segid "RW16" and resid 11   and name HA  ))
      2.900     1.000     1.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.17250E-02 ppm1      8.313 ppm2      4.067 CV     1
 ASSI {  570}
   (( segid "RW16" and resid 11   and name HN  ))
   (( segid "RW16" and resid 8    and name HA  ))
      3.300     1.300     1.300 peak   570 spectrum    1 weight  0.10000E+01 volume  0.87976E-03 ppm1      8.316 ppm2      3.757 CV     1
 ASSI {  571}
   (( segid "RW16" and resid 11   and name HN  ))
   (( segid "RW16" and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak   571 spectrum    1 weight  0.10000E+01 volume  0.19933E-02 ppm1      8.317 ppm2      2.935 CV     1
 ASSI {  572}
   (( segid "RW16" and resid 11   and name HN  ))
   (( segid "RW16" and resid 10   and name HN  ))
      2.700     0.900     0.900 peak   572 spectrum    1 weight  0.10000E+01 volume  0.21258E-02 ppm1      8.321 ppm2      7.805 CV     1
 ASSI {  589}
   (( segid "RW16" and resid 10   and name HE1 ))
   (( segid "RW16" and resid 10   and name HD1 ))
      2.300     0.700     0.700 peak   589 spectrum    1 weight  0.10000E+01 volume  0.61625E-02 ppm1      9.370 ppm2      6.621 CV     1
 ASSI {  590}
   (( segid "RW16" and resid 10   and name HE1 ))
   (( segid "RW16" and resid 10   and name HZ2 ))
      2.500     0.800     0.800 peak   590 spectrum    1 weight  0.10000E+01 volume  0.37996E-02 ppm1      9.371 ppm2      7.011 CV     1
 ASSI {  593}
   (( segid "RW16" and resid 7    and name HE1 ))
   (( segid "RW16" and resid 7    and name HZ2 ))
      2.500     0.800     0.800 peak   593 spectrum    1 weight  0.10000E+01 volume  0.47988E-02 ppm1      9.634 ppm2      6.941 CV     1
 ASSI {  594}
   (( segid "RW16" and resid 7    and name HE1 ))
   (( segid "RW16" and resid 7    and name HD1 ))
      2.100     0.600     0.600 peak   594 spectrum    1 weight  0.10000E+01 volume  0.10880E-01 ppm1      9.635 ppm2      7.041 CV     1
 ASSI {  604}
   (( segid "RW16" and resid 6    and name HE1 ))
   (( segid "RW16" and resid 6    and name HZ2 ))
      2.300     0.600     0.600 peak   604 spectrum    1 weight  0.10000E+01 volume  0.80594E-02 ppm1     10.265 ppm2      7.174 CV     1
 ASSI {  608}
   (( segid "RW16" and resid 3    and name HE1 ))
   (( segid "RW16" and resid 3    and name HZ2 ))
      2.300     0.700     0.700 peak   608 spectrum    1 weight  0.10000E+01 volume  0.68536E-02 ppm1     10.478 ppm2      7.292 CV     1

!!ambig.tbl

 ASSI {    8}
   (( segid "RW16" and resid 15   and name HG1 ))
   (( segid "RW16" and resid 10   and name HZ2 ))
      4.000     2.000     2.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.40585E-03 ppm1      1.074 ppm2      7.015 CV     1
 OR {    8}
   (( segid "RW16" and resid 15   and name HG2 ))
   (( segid "RW16" and resid 11   and name HH2 ))
 OR {    8}
   (( segid "RW16" and resid 15   and name HG2 ))
   (( segid "RW16" and resid 10   and name HZ2 ))
 OR {    8}
   (( segid "RW16" and resid 15   and name HG1 ))
   (( segid "RW16" and resid 11   and name HH2 ))
 ASSI {   11}
   (( segid "RW16" and resid 15   and name HG1 ))
   (( segid "RW16" and resid 14   and name HZ3 ))
      3.000     1.100     1.100 peak    11 spectrum    1 weight  0.10000E+01 volume  0.14218E-02 ppm1      1.081 ppm2      6.812 CV     1
 OR {   11}
   (( segid "RW16" and resid 15   and name HG2 ))
   (( segid "RW16" and resid 14   and name HZ3 ))
 OR {   11}
   (( segid "RW16" and resid 15   and name HG2 ))
   (( segid "RW16" and resid 11   and name HZ3 ))
 OR {   11}
   (( segid "RW16" and resid 15   and name HG1 ))
   (( segid "RW16" and resid 11   and name HZ3 ))
 ASSI {   16}
   (( segid "RW16" and resid 2    and name HG1 ))
   (( segid "RW16" and resid 3    and name HD1 ))
      2.700     0.900     0.900 peak    16 spectrum    1 weight  0.10000E+01 volume  0.30157E-02 ppm1      1.258 ppm2      7.071 CV     1
 OR {   16}
   (( segid "RW16" and resid 2    and name HG2 ))
   (( segid "RW16" and resid 3    and name HD1 ))
 OR {   16}
   (( segid "RW16" and resid 4    and name HG2 ))
   (( segid "RW16" and resid 3    and name HD1 ))
 OR {   16}
   (( segid "RW16" and resid 4    and name HG1 ))
   (( segid "RW16" and resid 7    and name HD1 ))
 OR {   16}
   (( segid "RW16" and resid 4    and name HG2 ))
   (( segid "RW16" and resid 7    and name HD1 ))
 ASSI {   18}
   (( segid "RW16" and resid 0    and name HG1 ))
   (( segid "RW16" and resid 0    and name HD1 ))
      2.100     0.500     0.500 peak    18 spectrum    1 weight  0.10000E+01 volume  0.11028E-01 ppm1      1.263 ppm2      2.946 CV     1
 OR {   18}
   (( segid "RW16" and resid 2    and name HG1 ))
   (( segid "RW16" and resid 2    and name HD1 ))
 OR {   18}
   (( segid "RW16" and resid 9    and name HG2 ))
   (( segid "RW16" and resid 9    and name HD2 ))
 OR {   18}
   (( segid "RW16" and resid 9    and name HG1 ))
   (( segid "RW16" and resid 9    and name HD1 ))
 OR {   18}
   (( segid "RW16" and resid 9    and name HG2 ))
   (( segid "RW16" and resid 9    and name HD1 ))
 OR {   18}
   (( segid "RW16" and resid 9    and name HG1 ))
   (( segid "RW16" and resid 9    and name HD2 ))
 OR {   18}
   (( segid "RW16" and resid 2    and name HG2 ))
   (( segid "RW16" and resid 2    and name HD2 ))
 OR {   18}
   (( segid "RW16" and resid 2    and name HG1 ))
   (( segid "RW16" and resid 2    and name HD2 ))
 OR {   18}
   (( segid "RW16" and resid 2    and name HG2 ))
   (( segid "RW16" and resid 2    and name HD1 ))
 OR {   18}
   (( segid "RW16" and resid 0    and name HG2 ))
   (( segid "RW16" and resid 0    and name HD1 ))
 OR {   18}
   (( segid "RW16" and resid 0    and name HG2 ))
   (( segid "RW16" and resid 0    and name HD2 ))
 ASSI {   22}
   (( segid "RW16" and resid 4    and name HG2 ))
   (( segid "RW16" and resid 3    and name HZ3 ))
      3.400     1.400     1.400 peak    22 spectrum    1 weight  0.10000E+01 volume  0.88994E-03 ppm1      1.269 ppm2      6.626 CV     1
 OR {   22}
   (( segid "RW16" and resid 4    and name HG1 ))
   (( segid "RW16" and resid 3    and name HZ3 ))
 OR {   22}
   (( segid "RW16" and resid 2    and name HG1 ))
   (( segid "RW16" and resid 6    and name HZ3 ))
 OR {   22}
   (( segid "RW16" and resid 2    and name HG2 ))
   (( segid "RW16" and resid 6    and name HZ3 ))
 ASSI {   23}
   (( segid "RW16" and resid 4    and name HG2 ))
   (( segid "RW16" and resid 1    and name HA  ))
      3.200     1.300     1.300 peak    23 spectrum    1 weight  0.10000E+01 volume  0.10183E-02 ppm1      1.270 ppm2      3.927 CV     1
 OR {   23}
   (( segid "RW16" and resid 4    and name HG1 ))
   (( segid "RW16" and resid 1    and name HA  ))
 OR {   23}
   (( segid "RW16" and resid 2    and name HG1 ))
   (( segid "RW16" and resid 1    and name HA  ))
 OR {   23}
   (( segid "RW16" and resid 0    and name HG2 ))
   (( segid "RW16" and resid 1    and name HA  ))
 OR {   23}
   (( segid "RW16" and resid 0    and name HG1 ))
   (( segid "RW16" and resid 1    and name HA  ))
 OR {   23}
   (( segid "RW16" and resid 2    and name HG2 ))
   (( segid "RW16" and resid 1    and name HA  ))
 OR {   23}
   (( segid "RW16" and resid 4    and name HG1 ))
   (( segid "RW16" and resid 5    and name HA  ))
 ASSI {   24}
   (( segid "RW16" and resid 4    and name HG2 ))
   (( segid "RW16" and resid 3    and name HE1 ))
      3.200     1.200     1.200 peak    24 spectrum    1 weight  0.10000E+01 volume  0.11065E-02 ppm1      1.274 ppm2     10.477 CV     1
 OR {   24}
   (( segid "RW16" and resid 0    and name HG2 ))
   (( segid "RW16" and resid 3    and name HE1 ))
 OR {   24}
   (( segid "RW16" and resid 4    and name HG1 ))
   (( segid "RW16" and resid 3    and name HE1 ))
 OR {   24}
   (( segid "RW16" and resid 0    and name HG1 ))
   (( segid "RW16" and resid 3    and name HE1 ))
 OR {   24}
   (( segid "RW16" and resid 2    and name HG2 ))
   (( segid "RW16" and resid 3    and name HE1 ))
 ASSI {   25}
   (( segid "RW16" and resid 4    and name HG2 ))
   (( segid "RW16" and resid 4    and name HD1 ))
      2.300     0.700     0.700 peak    25 spectrum    1 weight  0.10000E+01 volume  0.63436E-02 ppm1      1.275 ppm2      2.969 CV     1
 OR {   25}
   (( segid "RW16" and resid 4    and name HG2 ))
   (( segid "RW16" and resid 4    and name HD2 ))
 OR {   25}
   (( segid "RW16" and resid 2    and name HG1 ))
   (( segid "RW16" and resid 2    and name HD1 ))
 OR {   25}
   (( segid "RW16" and resid 9    and name HG2 ))
   (( segid "RW16" and resid 9    and name HD2 ))
 OR {   25}
   (( segid "RW16" and resid 9    and name HG1 ))
   (( segid "RW16" and resid 9    and name HD1 ))
 OR {   25}
   (( segid "RW16" and resid 9    and name HG2 ))
   (( segid "RW16" and resid 9    and name HD1 ))
 OR {   25}
   (( segid "RW16" and resid 9    and name HG1 ))
   (( segid "RW16" and resid 9    and name HD2 ))
 OR {   25}
   (( segid "RW16" and resid 2    and name HG2 ))
   (( segid "RW16" and resid 2    and name HD2 ))
 OR {   25}
   (( segid "RW16" and resid 2    and name HG1 ))
   (( segid "RW16" and resid 2    and name HD2 ))
 OR {   25}
   (( segid "RW16" and resid 2    and name HG2 ))
   (( segid "RW16" and resid 2    and name HD1 ))
 OR {   25}
   (( segid "RW16" and resid 4    and name HG1 ))
   (( segid "RW16" and resid 4    and name HD1 ))
 ASSI {   31}
   (( segid "RW16" and resid 15   and name HB1 ))
   (( segid "RW16" and resid 11   and name HE3 ))
      3.100     1.200     1.200 peak    31 spectrum    1 weight  0.10000E+01 volume  0.14240E-02 ppm1      1.287 ppm2      7.338 CV     1
 OR {   31}
   (( segid "RW16" and resid 4    and name HG2 ))
   (( segid "RW16" and resid 3    and name HE3 ))
 OR {   31}
   (( segid "RW16" and resid 4    and name HG1 ))
   (( segid "RW16" and resid 3    and name HE3 ))
 OR {   31}
   (( segid "RW16" and resid 15   and name HB1 ))
   (( segid "RW16" and resid 11   and name HZ2 ))
 OR {   31}
   (( segid "RW16" and resid 9    and name HG2 ))
   (( segid "RW16" and resid 13   and name HN  ))
 ASSI {   37}
   (( segid "RW16" and resid 4    and name HG2 ))
   (( segid "RW16" and resid 4    and name HN  ))
      3.200     1.300     1.300 peak    37 spectrum    1 weight  0.10000E+01 volume  0.10401E-02 ppm1      1.301 ppm2      7.818 CV     1
 OR {   37}
   (( segid "RW16" and resid 4    and name HG1 ))
   (( segid "RW16" and resid 4    and name HN  ))
 OR {   37}
   (( segid "RW16" and resid 9    and name HG2 ))
   (( segid "RW16" and resid 10   and name HN  ))
 OR {   37}
   (( segid "RW16" and resid 9    and name HG1 ))
   (( segid "RW16" and resid 10   and name HN  ))
 OR {   37}
   (( segid "RW16" and resid 4    and name HG2 ))
   (( segid "RW16" and resid 5    and name HN  ))
 ASSI {   38}
   (( segid "RW16" and resid 0    and name HG1 ))
   (( segid "RW16" and resid 0    and name HD1 ))
      2.300     0.600     0.600 peak    38 spectrum    1 weight  0.10000E+01 volume  0.71594E-02 ppm1      1.309 ppm2      2.923 CV     1
 OR {   38}
   (( segid "RW16" and resid 9    and name HG2 ))
   (( segid "RW16" and resid 9    and name HD2 ))
 OR {   38}
   (( segid "RW16" and resid 9    and name HG1 ))
   (( segid "RW16" and resid 9    and name HD1 ))
 OR {   38}
   (( segid "RW16" and resid 9    and name HG2 ))
   (( segid "RW16" and resid 9    and name HD1 ))
 OR {   38}
   (( segid "RW16" and resid 9    and name HG1 ))
   (( segid "RW16" and resid 9    and name HD2 ))
 OR {   38}
   (( segid "RW16" and resid 0    and name HG1 ))
   (( segid "RW16" and resid 0    and name HD2 ))
 OR {   38}
   (( segid "RW16" and resid 0    and name HG2 ))
   (( segid "RW16" and resid 0    and name HD1 ))
 OR {   38}
   (( segid "RW16" and resid 0    and name HG2 ))
   (( segid "RW16" and resid 0    and name HD2 ))
 ASSI {   43}
   (( segid "RW16" and resid 8    and name HG2 ))
   (( segid "RW16" and resid 7    and name HD1 ))
      3.100     1.200     1.200 peak    43 spectrum    1 weight  0.10000E+01 volume  0.12321E-02 ppm1      1.400 ppm2      7.039 CV     1
 OR {   43}
   (( segid "RW16" and resid 15   and name HB2 ))
   (( segid "RW16" and resid 11   and name HH2 ))
 OR {   43}
   (( segid "RW16" and resid 8    and name HG1 ))
   (( segid "RW16" and resid 7    and name HD1 ))
 OR {   43}
   (( segid "RW16" and resid 15   and name HB2 ))
   (( segid "RW16" and resid 10   and name HZ2 ))
 ASSI {   48}
   (( segid "RW16" and resid 0    and name HB2 ))
   (( segid "RW16" and resid 0    and name HE  ))
      3.800     1.800     1.800 peak    48 spectrum    1 weight  0.10000E+01 volume  0.43091E-03 ppm1      1.419 ppm2      7.157 CV     1
 OR {   48}
   (( segid "RW16" and resid 0    and name HB1 ))
   (( segid "RW16" and resid 0    and name HE  ))
 OR {   48}
   (( segid "RW16" and resid 15   and name HB2 ))
   (( segid "RW16" and resid 14   and name HE3 ))
 OR {   48}
   (( segid "RW16" and resid 5    and name HG2 ))
   (( segid "RW16" and resid 6    and name HD1 ))
 OR {   48}
   (( segid "RW16" and resid 15   and name HB2 ))
   (( segid "RW16" and resid 15   and name HE  ))
 ASSI {   51}
   (( segid "RW16" and resid 8    and name HG2 ))
   (( segid "RW16" and resid 8    and name HN  ))
      2.700     0.900     0.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.23815E-02 ppm1      1.423 ppm2      7.823 CV     1
 OR {   51}
   (( segid "RW16" and resid 8    and name HG1 ))
   (( segid "RW16" and resid 8    and name HN  ))
 OR {   51}
   (( segid "RW16" and resid 5    and name HG1 ))
   (( segid "RW16" and resid 5    and name HN  ))
 OR {   51}
   (( segid "RW16" and resid 5    and name HG2 ))
   (( segid "RW16" and resid 5    and name HN  ))
 OR {   51}
   (( segid "RW16" and resid 13   and name HG1 ))
   (( segid "RW16" and resid 14   and name HN  ))
 ASSI {   56}
   (( segid "RW16" and resid 15   and name HB2 ))
   (( segid "RW16" and resid 11   and name HZ3 ))
      3.000     1.100     1.100 peak    56 spectrum    1 weight  0.10000E+01 volume  0.17086E-02 ppm1      1.448 ppm2      6.845 CV     1
 OR {   56}
   (( segid "RW16" and resid 15   and name HB2 ))
   (( segid "RW16" and resid 14   and name HZ3 ))
 OR {   56}
   (( segid "RW16" and resid 15   and name HB2 ))
   (( segid "RW16" and resid 11   and name HD1 ))
 ASSI {   57}
   (( segid "RW16" and resid 15   and name HB2 ))
   (( segid "RW16" and resid 16   and name HN  ))
      3.500     1.500     1.500 peak    57 spectrum    1 weight  0.10000E+01 volume  0.52097E-03 ppm1      1.451 ppm2      7.502 CV     1
 OR {   57}
   (( segid "RW16" and resid 12   and name HG2 ))
   (( segid "RW16" and resid 12   and name HN  ))
 OR {   57}
   (( segid "RW16" and resid 12   and name HG1 ))
   (( segid "RW16" and resid 12   and name HN  ))
 ASSI {   59}
   (( segid "RW16" and resid 5    and name HG2 ))
   (( segid "RW16" and resid 5    and name HD1 ))
      2.000     0.500     0.500 peak    59 spectrum    1 weight  0.10000E+01 volume  0.15227E-01 ppm1      1.464 ppm2      3.011 CV     1
 OR {   59}
   (( segid "RW16" and resid 12   and name HG1 ))
   (( segid "RW16" and resid 12   and name HD1 ))
 OR {   59}
   (( segid "RW16" and resid 5    and name HG1 ))
   (( segid "RW16" and resid 5    and name HD2 ))
 OR {   59}
   (( segid "RW16" and resid 12   and name HG2 ))
   (( segid "RW16" and resid 12   and name HD2 ))
 OR {   59}
   (( segid "RW16" and resid 12   and name HG1 ))
   (( segid "RW16" and resid 12   and name HD2 ))
 OR {   59}
   (( segid "RW16" and resid 12   and name HG2 ))
   (( segid "RW16" and resid 12   and name HD1 ))
 OR {   59}
   (( segid "RW16" and resid 5    and name HG2 ))
   (( segid "RW16" and resid 5    and name HD2 ))
 OR {   59}
   (( segid "RW16" and resid 5    and name HG1 ))
   (( segid "RW16" and resid 5    and name HD1 ))
 ASSI {   60}
   (( segid "RW16" and resid 13   and name HG2 ))
   (( segid "RW16" and resid 13   and name HD2 ))
      2.400     0.700     0.700 peak    60 spectrum    1 weight  0.10000E+01 volume  0.58051E-02 ppm1      1.471 ppm2      2.926 CV     1
 OR {   60}
   (( segid "RW16" and resid 13   and name HG1 ))
   (( segid "RW16" and resid 13   and name HD1 ))
 OR {   60}
   (( segid "RW16" and resid 13   and name HG1 ))
   (( segid "RW16" and resid 13   and name HD2 ))
 OR {   60}
   (( segid "RW16" and resid 13   and name HG2 ))
   (( segid "RW16" and resid 13   and name HD1 ))
 OR {   60}
   (( segid "RW16" and resid 0    and name HB1 ))
   (( segid "RW16" and resid 0    and name HD2 ))
 OR {   60}
   (( segid "RW16" and resid 0    and name HB2 ))
   (( segid "RW16" and resid 0    and name HD2 ))
 OR {   60}
   (( segid "RW16" and resid 9    and name HB1 ))
   (( segid "RW16" and resid 9    and name HD1 ))
 OR {   60}
   (( segid "RW16" and resid 9    and name HB1 ))
   (( segid "RW16" and resid 9    and name HD2 ))
 OR {   60}
   (( segid "RW16" and resid 0    and name HB2 ))
   (( segid "RW16" and resid 0    and name HD1 ))
 OR {   60}
   (( segid "RW16" and resid 0    and name HB1 ))
   (( segid "RW16" and resid 0    and name HD1 ))
 OR {   60}
   (( segid "RW16" and resid 2    and name HB2 ))
   (( segid "RW16" and resid 2    and name HD2 ))
 ASSI {   62}
   (( segid "RW16" and resid 5    and name HG2 ))
   (( segid "RW16" and resid 5    and name HD1 ))
      2.100     0.600     0.600 peak    62 spectrum    1 weight  0.10000E+01 volume  0.97373E-02 ppm1      1.483 ppm2      3.036 CV     1
 OR {   62}
   (( segid "RW16" and resid 12   and name HG1 ))
   (( segid "RW16" and resid 12   and name HD1 ))
 OR {   62}
   (( segid "RW16" and resid 1    and name HG1 ))
   (( segid "RW16" and resid 1    and name HD1 ))
 OR {   62}
   (( segid "RW16" and resid 16   and name HG1 ))
   (( segid "RW16" and resid 16   and name HD1 ))
 OR {   62}
   (( segid "RW16" and resid 5    and name HG1 ))
   (( segid "RW16" and resid 5    and name HD2 ))
 OR {   62}
   (( segid "RW16" and resid 1    and name HG2 ))
   (( segid "RW16" and resid 1    and name HD2 ))
 OR {   62}
   (( segid "RW16" and resid 12   and name HG2 ))
   (( segid "RW16" and resid 12   and name HD2 ))
 OR {   62}
   (( segid "RW16" and resid 12   and name HG1 ))
   (( segid "RW16" and resid 12   and name HD2 ))
 OR {   62}
   (( segid "RW16" and resid 12   and name HG2 ))
   (( segid "RW16" and resid 12   and name HD1 ))
 OR {   62}
   (( segid "RW16" and resid 1    and name HG2 ))
   (( segid "RW16" and resid 1    and name HD1 ))
 OR {   62}
   (( segid "RW16" and resid 1    and name HG1 ))
   (( segid "RW16" and resid 1    and name HD2 ))
 OR {   62}
   (( segid "RW16" and resid 5    and name HG2 ))
   (( segid "RW16" and resid 5    and name HD2 ))
 OR {   62}
   (( segid "RW16" and resid 5    and name HG1 ))
   (( segid "RW16" and resid 5    and name HD1 ))
 OR {   62}
   (( segid "RW16" and resid 16   and name HG2 ))
   (( segid "RW16" and resid 16   and name HD1 ))
 OR {   62}
   (( segid "RW16" and resid 16   and name HG1 ))
   (( segid "RW16" and resid 16   and name HD2 ))
 ASSI {   64}
   (( segid "RW16" and resid 5    and name HG2 ))
   (( segid "RW16" and resid 6    and name HE1 ))
      3.500     1.600     1.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.62211E-03 ppm1      1.491 ppm2     10.260 CV     1
 OR {   64}
   (( segid "RW16" and resid 5    and name HG1 ))
   (( segid "RW16" and resid 6    and name HE1 ))
 OR {   64}
   (( segid "RW16" and resid 2    and name HB2 ))
   (( segid "RW16" and resid 6    and name HE1 ))
 ASSI {   70}
   (( segid "RW16" and resid 2    and name HB2 ))
   (( segid "RW16" and resid 2    and name HA  ))
      2.400     0.700     0.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.66117E-02 ppm1      1.540 ppm2      3.999 CV     1
 OR {   70}
   (( segid "RW16" and resid 16   and name HG1 ))
   (( segid "RW16" and resid 16   and name HA  ))
 OR {   70}
   (( segid "RW16" and resid 16   and name HG2 ))
   (( segid "RW16" and resid 16   and name HA  ))
 ASSI {   72}
   (( segid "RW16" and resid 2    and name HB2 ))
   (( segid "RW16" and resid 3    and name HD1 ))
      3.100     1.200     1.200 peak    72 spectrum    1 weight  0.10000E+01 volume  0.15042E-02 ppm1      1.549 ppm2      7.040 CV     1
 OR {   72}
   (( segid "RW16" and resid 8    and name HB2 ))
   (( segid "RW16" and resid 7    and name HD1 ))
 OR {   72}
   (( segid "RW16" and resid 2    and name HB1 ))
   (( segid "RW16" and resid 3    and name HD1 ))
 OR {   72}
   (( segid "RW16" and resid 4    and name HB1 ))
   (( segid "RW16" and resid 7    and name HD1 ))
 OR {   72}
   (( segid "RW16" and resid 1    and name HG2 ))
   (( segid "RW16" and resid 3    and name HD1 ))
 ASSI {   73}
   (( segid "RW16" and resid 2    and name HB2 ))
   (( segid "RW16" and resid 6    and name HH2 ))
      3.000     3.000     3.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.15613E-02 ppm1      1.559 ppm2      6.845 CV     1
 OR {   73}
   (( segid "RW16" and resid 16   and name HG1 ))
   (( segid "RW16" and resid 11   and name HZ3 ))
 OR {   73}
   (( segid "RW16" and resid 16   and name HG2 ))
   (( segid "RW16" and resid 11   and name HZ3 ))
 OR {   73}
   (( segid "RW16" and resid 2    and name HB1 ))
   (( segid "RW16" and resid 6    and name HH2 ))
 OR {   73}
   (( segid "RW16" and resid 4    and name HB1 ))
   (( segid "RW16" and resid 3    and name HH2 ))
 ASSI {   78}
   (( segid "RW16" and resid 4    and name HB1 ))
   (( segid "RW16" and resid 4    and name HG1 ))
      2.400     0.700     0.700 peak    78 spectrum    1 weight  0.10000E+01 volume  0.44811E-02 ppm1      1.565 ppm2      1.250 CV     1
 OR {   78}
   (( segid "RW16" and resid 2    and name HB2 ))
   (( segid "RW16" and resid 2    and name HG2 ))
 OR {   78}
   (( segid "RW16" and resid 4    and name HB1 ))
   (( segid "RW16" and resid 4    and name HG2 ))
 OR {   78}
   (( segid "RW16" and resid 2    and name HB1 ))
   (( segid "RW16" and resid 2    and name HG2 ))
 OR {   78}
   (( segid "RW16" and resid 2    and name HB2 ))
   (( segid "RW16" and resid 2    and name HG1 ))
 OR {   78}
   (( segid "RW16" and resid 2    and name HB1 ))
   (( segid "RW16" and resid 2    and name HG1 ))
 ASSI {   79}
   (( segid "RW16" and resid 12   and name HB1 ))
   (( segid "RW16" and resid 12   and name HD2 ))
      2.000     0.500     0.500 peak    79 spectrum    1 weight  0.10000E+01 volume  0.14878E-01 ppm1      1.567 ppm2      3.038 CV     1
 OR {   79}
   (( segid "RW16" and resid 8    and name HB2 ))
   (( segid "RW16" and resid 8    and name HD1 ))
 OR {   79}
   (( segid "RW16" and resid 12   and name HB1 ))
   (( segid "RW16" and resid 12   and name HD1 ))
 OR {   79}
   (( segid "RW16" and resid 8    and name HB2 ))
   (( segid "RW16" and resid 8    and name HD2 ))
 OR {   79}
   (( segid "RW16" and resid 4    and name HB1 ))
   (( segid "RW16" and resid 4    and name HD1 ))
 OR {   79}
   (( segid "RW16" and resid 4    and name HB1 ))
   (( segid "RW16" and resid 4    and name HD2 ))
 ASSI {   81}
   (( segid "RW16" and resid 4    and name HB1 ))
   (( segid "RW16" and resid 4    and name HN  ))
      2.600     0.900     0.900 peak    81 spectrum    1 weight  0.10000E+01 volume  0.35761E-02 ppm1      1.575 ppm2      7.819 CV     1
 OR {   81}
   (( segid "RW16" and resid 8    and name HB2 ))
   (( segid "RW16" and resid 8    and name HN  ))
 OR {   81}
   (( segid "RW16" and resid 4    and name HB1 ))
   (( segid "RW16" and resid 5    and name HN  ))
 OR {   81}
   (( segid "RW16" and resid 1    and name HB2 ))
   (( segid "RW16" and resid 4    and name HN  ))
 OR {   81}
   (( segid "RW16" and resid 1    and name HB1 ))
   (( segid "RW16" and resid 4    and name HN  ))
 ASSI {   82}
   (( segid "RW16" and resid 4    and name HB1 ))
   (( segid "RW16" and resid 4    and name HG1 ))
      2.500     0.800     0.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.42719E-02 ppm1      1.579 ppm2      1.237 CV     1
 OR {   82}
   (( segid "RW16" and resid 4    and name HB1 ))
   (( segid "RW16" and resid 4    and name HG2 ))
 OR {   82}
   (( segid "RW16" and resid 2    and name HB1 ))
   (( segid "RW16" and resid 2    and name HG2 ))
 OR {   82}
   (( segid "RW16" and resid 2    and name HB1 ))
   (( segid "RW16" and resid 2    and name HG1 ))
 ASSI {   83}
   (( segid "RW16" and resid 8    and name HB2 ))
   (( segid "RW16" and resid 7    and name HD1 ))
      2.900     1.000     1.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.25384E-02 ppm1      1.583 ppm2      7.070 CV     1
 OR {   83}
   (( segid "RW16" and resid 2    and name HB1 ))
   (( segid "RW16" and resid 3    and name HD1 ))
 OR {   83}
   (( segid "RW16" and resid 1    and name HB1 ))
   (( segid "RW16" and resid 3    and name HD1 ))
 OR {   83}
   (( segid "RW16" and resid 1    and name HB2 ))
   (( segid "RW16" and resid 3    and name HD1 ))
 OR {   83}
   (( segid "RW16" and resid 4    and name HB1 ))
   (( segid "RW16" and resid 7    and name HD1 ))
 ASSI {   84}
   (( segid "RW16" and resid 1    and name HB1 ))
   (( segid "RW16" and resid 3    and name HE1 ))
      3.100     3.100     2.900 peak    84 spectrum    1 weight  0.10000E+01 volume  0.14575E-02 ppm1      1.584 ppm2     10.477 CV     1
 OR {   84}
   (( segid "RW16" and resid 4    and name HB1 ))
   (( segid "RW16" and resid 3    and name HE1 ))
 OR {   84}
   (( segid "RW16" and resid 1    and name HB2 ))
   (( segid "RW16" and resid 3    and name HE1 ))
 ASSI {   87}
   (( segid "RW16" and resid 2    and name HB1 ))
   (( segid "RW16" and resid 2    and name HD2 ))
      2.400     0.700     0.700 peak    87 spectrum    1 weight  0.10000E+01 volume  0.49521E-02 ppm1      1.589 ppm2      2.955 CV     1
 OR {   87}
   (( segid "RW16" and resid 2    and name HB1 ))
   (( segid "RW16" and resid 2    and name HD1 ))
 OR {   87}
   (( segid "RW16" and resid 4    and name HB1 ))
   (( segid "RW16" and resid 4    and name HD1 ))
 OR {   87}
   (( segid "RW16" and resid 4    and name HB1 ))
   (( segid "RW16" and resid 4    and name HD2 ))
 OR {   87}
   (( segid "RW16" and resid 8    and name HB2 ))
   (( segid "RW16" and resid 11   and name HB2 ))
 ASSI {   90}
   (( segid "RW16" and resid 2    and name HB1 ))
   (( segid "RW16" and resid 6    and name HE1 ))
      3.500     3.500     2.500 peak    90 spectrum    1 weight  0.10000E+01 volume  0.63959E-03 ppm1      1.622 ppm2     10.259 CV     1
 OR {   90}
   (( segid "RW16" and resid 1    and name HB2 ))
   (( segid "RW16" and resid 6    and name HE1 ))
 ASSI {   94}
   (( segid "RW16" and resid 13   and name HB2 ))
   (( segid "RW16" and resid 13   and name HE  ))
      3.400     1.400     1.400 peak    94 spectrum    1 weight  0.10000E+01 volume  0.77197E-03 ppm1      1.677 ppm2      7.201 CV     1
 OR {   94}
   (( segid "RW16" and resid 5    and name HB2 ))
   (( segid "RW16" and resid 6    and name HD1 ))
 OR {   94}
   (( segid "RW16" and resid 16   and name HB1 ))
   (( segid "RW16" and resid 16   and name HE  ))
 OR {   94}
   (( segid "RW16" and resid 13   and name HB1 ))
   (( segid "RW16" and resid 13   and name HE  ))
 OR {   94}
   (( segid "RW16" and resid 16   and name HB2 ))
   (( segid "RW16" and resid 16   and name HE  ))
 OR {   94}
   (( segid "RW16" and resid 5    and name HB1 ))
   (( segid "RW16" and resid 6    and name HD1 ))
 OR {   94}
   (( segid "RW16" and resid 13   and name HB2 ))
   (( segid "RW16" and resid 10   and name HE3 ))
 ASSI {   97}
   (( segid "RW16" and resid 13   and name HB2 ))
   (( segid "RW16" and resid 13   and name HD1 ))
      2.400     0.700     0.700 peak    97 spectrum    1 weight  0.10000E+01 volume  0.53439E-02 ppm1      1.682 ppm2      2.921 CV     1
 OR {   97}
   (( segid "RW16" and resid 13   and name HB2 ))
   (( segid "RW16" and resid 13   and name HD2 ))
 OR {   97}
   (( segid "RW16" and resid 9    and name HB2 ))
   (( segid "RW16" and resid 9    and name HD1 ))
 OR {   97}
   (( segid "RW16" and resid 9    and name HB2 ))
   (( segid "RW16" and resid 9    and name HD2 ))
 OR {   97}
   (( segid "RW16" and resid 13   and name HB1 ))
   (( segid "RW16" and resid 13   and name HD2 ))
 OR {   97}
   (( segid "RW16" and resid 13   and name HB1 ))
   (( segid "RW16" and resid 13   and name HD1 ))
 OR {   97}
   (( segid "RW16" and resid 13   and name HB1 ))
   (( segid "RW16" and resid 14   and name HB2 ))
 OR {   97}
   (( segid "RW16" and resid 13   and name HB2 ))
   (( segid "RW16" and resid 14   and name HB2 ))
 ASSI {  100}
   (( segid "RW16" and resid 16   and name HB2 ))
   (( segid "RW16" and resid 11   and name HZ3 ))
      3.500     1.500     1.500 peak   100 spectrum    1 weight  0.10000E+01 volume  0.64451E-03 ppm1      1.684 ppm2      6.804 CV     1
 OR {  100}
   (( segid "RW16" and resid 16   and name HB1 ))
   (( segid "RW16" and resid 11   and name HZ3 ))
 OR {  100}
   (( segid "RW16" and resid 13   and name HB2 ))
   (( segid "RW16" and resid 14   and name HD1 ))
 OR {  100}
   (( segid "RW16" and resid 13   and name HB1 ))
   (( segid "RW16" and resid 14   and name HD1 ))
 OR {  100}
   (( segid "RW16" and resid 8    and name HB1 ))
   (( segid "RW16" and resid 11   and name HD1 ))
 OR {  100}
   (( segid "RW16" and resid 5    and name HB2 ))
   (( segid "RW16" and resid 6    and name HH2 ))
 OR {  100}
   (( segid "RW16" and resid 5    and name HB1 ))
   (( segid "RW16" and resid 6    and name HH2 ))
 OR {  100}
   (( segid "RW16" and resid 12   and name HB2 ))
   (( segid "RW16" and resid 11   and name HZ3 ))
 OR {  100}
   (( segid "RW16" and resid 13   and name HB2 ))
   (( segid "RW16" and resid 10   and name HZ3 ))
 ASSI {  104}
   (( segid "RW16" and resid 5    and name HB2 ))
   (( segid "RW16" and resid 6    and name HD1 ))
      3.000     1.100     1.100 peak   104 spectrum    1 weight  0.10000E+01 volume  0.15922E-02 ppm1      1.691 ppm2      7.157 CV     1
 OR {  104}
   (( segid "RW16" and resid 16   and name HB1 ))
   (( segid "RW16" and resid 16   and name HE  ))
 OR {  104}
   (( segid "RW16" and resid 16   and name HB2 ))
   (( segid "RW16" and resid 16   and name HE  ))
 OR {  104}
   (( segid "RW16" and resid 5    and name HB1 ))
   (( segid "RW16" and resid 6    and name HD1 ))
 OR {  104}
   (( segid "RW16" and resid 13   and name HB1 ))
   (( segid "RW16" and resid 10   and name HE3 ))
 OR {  104}
   (( segid "RW16" and resid 13   and name HB2 ))
   (( segid "RW16" and resid 10   and name HE3 ))
 OR {  104}
   (( segid "RW16" and resid 5    and name HB1 ))
   (( segid "RW16" and resid 6    and name HZ2 ))
 ASSI {  105}
   (( segid "RW16" and resid 8    and name HB1 ))
   (( segid "RW16" and resid 7    and name HD1 ))
      3.100     1.200     1.200 peak   105 spectrum    1 weight  0.10000E+01 volume  0.12316E-02 ppm1      1.692 ppm2      7.040 CV     1
 OR {  105}
   (( segid "RW16" and resid 4    and name HB2 ))
   (( segid "RW16" and resid 7    and name HD1 ))
 OR {  105}
   (( segid "RW16" and resid 16   and name HB2 ))
   (( segid "RW16" and resid 11   and name HH2 ))
 OR {  105}
   (( segid "RW16" and resid 4    and name HB2 ))
   (( segid "RW16" and resid 3    and name HD1 ))
 OR {  105}
   (( segid "RW16" and resid 16   and name HB1 ))
   (( segid "RW16" and resid 11   and name HH2 ))
 OR {  105}
   (( segid "RW16" and resid 5    and name HB2 ))
   (( segid "RW16" and resid 3    and name HD1 ))
 OR {  105}
   (( segid "RW16" and resid 9    and name HB2 ))
   (( segid "RW16" and resid 7    and name HD1 ))
 ASSI {  106}
   (( segid "RW16" and resid 5    and name HB2 ))
   (( segid "RW16" and resid 5    and name HD2 ))
      2.100     0.500     0.500 peak   106 spectrum    1 weight  0.10000E+01 volume  0.12665E-01 ppm1      1.693 ppm2      3.014 CV     1
 OR {  106}
   (( segid "RW16" and resid 5    and name HB1 ))
   (( segid "RW16" and resid 5    and name HD2 ))
 OR {  106}
   (( segid "RW16" and resid 16   and name HB2 ))
   (( segid "RW16" and resid 16   and name HD1 ))
 OR {  106}
   (( segid "RW16" and resid 5    and name HB2 ))
   (( segid "RW16" and resid 5    and name HD1 ))
 OR {  106}
   (( segid "RW16" and resid 8    and name HB1 ))
   (( segid "RW16" and resid 8    and name HD1 ))
 OR {  106}
   (( segid "RW16" and resid 8    and name HB1 ))
   (( segid "RW16" and resid 8    and name HD2 ))
 OR {  106}
   (( segid "RW16" and resid 16   and name HB1 ))
   (( segid "RW16" and resid 16   and name HD2 ))
 OR {  106}
   (( segid "RW16" and resid 12   and name HB2 ))
   (( segid "RW16" and resid 12   and name HD2 ))
 OR {  106}
   (( segid "RW16" and resid 16   and name HB1 ))
   (( segid "RW16" and resid 16   and name HD1 ))
 OR {  106}
   (( segid "RW16" and resid 5    and name HB1 ))
   (( segid "RW16" and resid 5    and name HD1 ))
 OR {  106}
   (( segid "RW16" and resid 12   and name HB2 ))
   (( segid "RW16" and resid 12   and name HD1 ))
 OR {  106}
   (( segid "RW16" and resid 16   and name HB2 ))
   (( segid "RW16" and resid 16   and name HD2 ))
 ASSI {  108}
   (( segid "RW16" and resid 16   and name HB2 ))
   (( segid "RW16" and resid 11   and name HZ3 ))
      3.100     1.200     1.200 peak   108 spectrum    1 weight  0.10000E+01 volume  0.13276E-02 ppm1      1.697 ppm2      6.845 CV     1
 OR {  108}
   (( segid "RW16" and resid 16   and name HB1 ))
   (( segid "RW16" and resid 11   and name HZ3 ))
 OR {  108}
   (( segid "RW16" and resid 4    and name HB2 ))
   (( segid "RW16" and resid 3    and name HH2 ))
 OR {  108}
   (( segid "RW16" and resid 8    and name HB1 ))
   (( segid "RW16" and resid 11   and name HD1 ))
 OR {  108}
   (( segid "RW16" and resid 5    and name HB1 ))
   (( segid "RW16" and resid 6    and name HH2 ))
 OR {  108}
   (( segid "RW16" and resid 12   and name HB2 ))
   (( segid "RW16" and resid 11   and name HZ3 ))
 ASSI {  112}
   (( segid "RW16" and resid 4    and name HB2 ))
   (( segid "RW16" and resid 3    and name HZ3 ))
      3.400     1.400     1.400 peak   112 spectrum    1 weight  0.10000E+01 volume  0.91024E-03 ppm1      1.698 ppm2      6.619 CV     1
 OR {  112}
   (( segid "RW16" and resid 13   and name HB1 ))
   (( segid "RW16" and resid 10   and name HD1 ))
 OR {  112}
   (( segid "RW16" and resid 5    and name HB2 ))
   (( segid "RW16" and resid 6    and name HZ3 ))
 OR {  112}
   (( segid "RW16" and resid 5    and name HB1 ))
   (( segid "RW16" and resid 6    and name HZ3 ))
 OR {  112}
   (( segid "RW16" and resid 9    and name HB2 ))
   (( segid "RW16" and resid 10   and name HD1 ))
 OR {  112}
   (( segid "RW16" and resid 8    and name HB1 ))
   (( segid "RW16" and resid 10   and name HD1 ))
 OR {  112}
   (( segid "RW16" and resid 13   and name HB2 ))
   (( segid "RW16" and resid 10   and name HD1 ))
 OR {  112}
   (( segid "RW16" and resid 12   and name HB2 ))
   (( segid "RW16" and resid 10   and name HD1 ))
 OR {  112}
   (( segid "RW16" and resid 4    and name HB2 ))
   (( segid "RW16" and resid 6    and name HZ3 ))
 ASSI {  114}
   (( segid "RW16" and resid 9    and name HB2 ))
   (( segid "RW16" and resid 9    and name HG1 ))
      2.300     0.700     0.700 peak   114 spectrum    1 weight  0.10000E+01 volume  0.57970E-02 ppm1      1.702 ppm2      1.288 CV     1
 OR {  114}
   (( segid "RW16" and resid 4    and name HB2 ))
   (( segid "RW16" and resid 4    and name HG1 ))
 OR {  114}
   (( segid "RW16" and resid 4    and name HB2 ))
   (( segid "RW16" and resid 4    and name HG2 ))
 OR {  114}
   (( segid "RW16" and resid 9    and name HB2 ))
   (( segid "RW16" and resid 9    and name HG2 ))
 ASSI {  115}
   (( segid "RW16" and resid 5    and name HB1 ))
   (( segid "RW16" and resid 5    and name HN  ))
      2.100     0.600     0.600 peak   115 spectrum    1 weight  0.10000E+01 volume  0.97657E-02 ppm1      1.704 ppm2      7.800 CV     1
 OR {  115}
   (( segid "RW16" and resid 13   and name HB1 ))
   (( segid "RW16" and resid 14   and name HN  ))
 OR {  115}
   (( segid "RW16" and resid 5    and name HB2 ))
   (( segid "RW16" and resid 5    and name HN  ))
 OR {  115}
   (( segid "RW16" and resid 13   and name HB2 ))
   (( segid "RW16" and resid 14   and name HN  ))
 OR {  115}
   (( segid "RW16" and resid 8    and name HB1 ))
   (( segid "RW16" and resid 8    and name HN  ))
 OR {  115}
   (( segid "RW16" and resid 9    and name HB2 ))
   (( segid "RW16" and resid 10   and name HN  ))
 OR {  115}
   (( segid "RW16" and resid 4    and name HB2 ))
   (( segid "RW16" and resid 4    and name HN  ))
 ASSI {  131}
   (( segid "RW16" and resid 15   and name HD2 ))
   (( segid "RW16" and resid 10   and name HZ2 ))
      3.300     1.400     1.400 peak   131 spectrum    1 weight  0.10000E+01 volume  0.10448E-02 ppm1      2.654 ppm2      7.017 CV     1
 OR {  131}
   (( segid "RW16" and resid 15   and name HD1 ))
   (( segid "RW16" and resid 10   and name HZ2 ))
 OR {  131}
   (( segid "RW16" and resid 14   and name HB1 ))
   (( segid "RW16" and resid 10   and name HZ2 ))
 ASSI {  139}
   (( segid "RW16" and resid 15   and name HD1 ))
   (( segid "RW16" and resid 10   and name HD1 ))
      3.000     1.200     1.200 peak   139 spectrum    1 weight  0.10000E+01 volume  0.13497E-02 ppm1      2.667 ppm2      6.614 CV     1
 OR {  139}
   (( segid "RW16" and resid 15   and name HD2 ))
   (( segid "RW16" and resid 10   and name HD1 ))
 OR {  139}
   (( segid "RW16" and resid 14   and name HB1 ))
   (( segid "RW16" and resid 10   and name HD1 ))
 ASSI {  141}
   (( segid "RW16" and resid 15   and name HD1 ))
   (( segid "RW16" and resid 11   and name HE3 ))
      2.900     1.100     1.100 peak   141 spectrum    1 weight  0.10000E+01 volume  0.21058E-02 ppm1      2.670 ppm2      7.349 CV     1
 OR {  141}
   (( segid "RW16" and resid 15   and name HD2 ))
   (( segid "RW16" and resid 11   and name HE3 ))
 OR {  141}
   (( segid "RW16" and resid 14   and name HB1 ))
   (( segid "RW16" and resid 13   and name HN  ))
 OR {  141}
   (( segid "RW16" and resid 15   and name HD1 ))
   (( segid "RW16" and resid 13   and name HN  ))
 OR {  141}
   (( segid "RW16" and resid 15   and name HD2 ))
   (( segid "RW16" and resid 13   and name HN  ))
 OR {  141}
   (( segid "RW16" and resid 14   and name HB1 ))
   (( segid "RW16" and resid 11   and name HE3 ))
 ASSI {  144}
   (( segid "RW16" and resid 15   and name HD2 ))
   (( segid "RW16" and resid 14   and name HZ3 ))
      3.100     1.200     1.200 peak   144 spectrum    1 weight  0.10000E+01 volume  0.17127E-02 ppm1      2.678 ppm2      6.841 CV     1
 OR {  144}
   (( segid "RW16" and resid 15   and name HD1 ))
   (( segid "RW16" and resid 11   and name HD1 ))
 OR {  144}
   (( segid "RW16" and resid 14   and name HB1 ))
   (( segid "RW16" and resid 14   and name HZ3 ))
 OR {  144}
   (( segid "RW16" and resid 15   and name HD1 ))
   (( segid "RW16" and resid 14   and name HZ3 ))
 OR {  144}
   (( segid "RW16" and resid 15   and name HD1 ))
   (( segid "RW16" and resid 11   and name HZ3 ))
 OR {  144}
   (( segid "RW16" and resid 15   and name HD2 ))
   (( segid "RW16" and resid 11   and name HZ3 ))
 ASSI {  151}
   (( segid "RW16" and resid 11   and name HB1 ))
   (( segid "RW16" and resid 7    and name HD1 ))
      3.800     1.800     1.800 peak   151 spectrum    1 weight  0.10000E+01 volume  0.47345E-03 ppm1      2.789 ppm2      7.040 CV     1
 OR {  151}
   (( segid "RW16" and resid 10   and name HB1 ))
   (( segid "RW16" and resid 7    and name HD1 ))
 OR {  151}
   (( segid "RW16" and resid 10   and name HB1 ))
   (( segid "RW16" and resid 10   and name HZ2 ))
 OR {  151}
   (( segid "RW16" and resid 11   and name HB1 ))
   (( segid "RW16" and resid 11   and name HH2 ))
 ASSI {  154}
   (( segid "RW16" and resid 10   and name HB1 ))
   (( segid "RW16" and resid 11   and name HD1 ))
      3.400     3.400     2.600 peak   154 spectrum    1 weight  0.10000E+01 volume  0.87692E-03 ppm1      2.821 ppm2      6.784 CV     1
 OR {  154}
   (( segid "RW16" and resid 10   and name HB1 ))
   (( segid "RW16" and resid 10   and name HZ3 ))
 OR {  154}
   (( segid "RW16" and resid 10   and name HB1 ))
   (( segid "RW16" and resid 7    and name HZ3 ))
 OR {  154}
   (( segid "RW16" and resid 10   and name HB1 ))
   (( segid "RW16" and resid 10   and name HH2 ))
 ASSI {  166}
   (( segid "RW16" and resid 11   and name HB2 ))
   (( segid "RW16" and resid 15   and name HB1 ))
      2.600     2.600     3.400 peak   166 spectrum    1 weight  0.10000E+01 volume  0.36303E-02 ppm1      2.905 ppm2      1.356 CV     1
 OR {  166}
   (( segid "RW16" and resid 14   and name HB2 ))
   (( segid "RW16" and resid 15   and name HB1 ))
 OR {  166}
   (( segid "RW16" and resid 11   and name HB2 ))
   (( segid "RW16" and resid 8    and name HG2 ))
 OR {  166}
   (( segid "RW16" and resid 11   and name HB2 ))
   (( segid "RW16" and resid 8    and name HG1 ))
 OR {  166}
   (( segid "RW16" and resid 9    and name HD2 ))
   (( segid "RW16" and resid 8    and name HG1 ))
 OR {  166}
   (( segid "RW16" and resid 9    and name HD1 ))
   (( segid "RW16" and resid 8    and name HG1 ))
 OR {  166}
   (( segid "RW16" and resid 9    and name HD2 ))
   (( segid "RW16" and resid 8    and name HG2 ))
 ASSI {  169}
   (( segid "RW16" and resid 13   and name HD1 ))
   (( segid "RW16" and resid 13   and name HB2 ))
      2.600     0.900     0.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.31581E-02 ppm1      2.923 ppm2      1.719 CV     1
 OR {  169}
   (( segid "RW16" and resid 13   and name HD2 ))
   (( segid "RW16" and resid 13   and name HB2 ))
 OR {  169}
   (( segid "RW16" and resid 9    and name HD1 ))
   (( segid "RW16" and resid 9    and name HB2 ))
 OR {  169}
   (( segid "RW16" and resid 9    and name HD2 ))
   (( segid "RW16" and resid 9    and name HB2 ))
 OR {  169}
   (( segid "RW16" and resid 13   and name HD2 ))
   (( segid "RW16" and resid 13   and name HB1 ))
 OR {  169}
   (( segid "RW16" and resid 13   and name HD1 ))
   (( segid "RW16" and resid 13   and name HB1 ))
 OR {  169}
   (( segid "RW16" and resid 14   and name HB2 ))
   (( segid "RW16" and resid 13   and name HB2 ))
 ASSI {  170}
   (( segid "RW16" and resid 2    and name HD1 ))
   (( segid "RW16" and resid 3    and name HE1 ))
      3.400     1.400     1.400 peak   170 spectrum    1 weight  0.10000E+01 volume  0.81976E-03 ppm1      2.932 ppm2     10.478 CV     1
 OR {  170}
   (( segid "RW16" and resid 0    and name HD1 ))
   (( segid "RW16" and resid 3    and name HE1 ))
 OR {  170}
   (( segid "RW16" and resid 0    and name HD2 ))
   (( segid "RW16" and resid 3    and name HE1 ))
 OR {  170}
   (( segid "RW16" and resid 2    and name HD2 ))
   (( segid "RW16" and resid 3    and name HE1 ))
 ASSI {  177}
   (( segid "RW16" and resid 10   and name HB2 ))
   (( segid "RW16" and resid 10   and name HB1 ))
      2.100     0.500     0.500 peak   177 spectrum    1 weight  0.10000E+01 volume  0.80703E-02 ppm1      2.947 ppm2      2.770 CV     1
 OR {  177}
   (( segid "RW16" and resid 11   and name HB2 ))
   (( segid "RW16" and resid 11   and name HB1 ))
 ASSI {  180}
   (( segid "RW16" and resid 5    and name HD2 ))
   (( segid "RW16" and resid 5    and name HB2 ))
      2.600     0.800     0.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.36125E-02 ppm1      2.957 ppm2      1.647 CV     1
 OR {  180}
   (( segid "RW16" and resid 5    and name HD2 ))
   (( segid "RW16" and resid 5    and name HB1 ))
 OR {  180}
   (( segid "RW16" and resid 5    and name HD1 ))
   (( segid "RW16" and resid 5    and name HB2 ))
 OR {  180}
   (( segid "RW16" and resid 9    and name HD1 ))
   (( segid "RW16" and resid 9    and name HB2 ))
 OR {  180}
   (( segid "RW16" and resid 9    and name HD2 ))
   (( segid "RW16" and resid 9    and name HB2 ))
 OR {  180}
   (( segid "RW16" and resid 5    and name HD1 ))
   (( segid "RW16" and resid 5    and name HB1 ))
 ASSI {  182}
   (( segid "RW16" and resid 8    and name HD1 ))
   (( segid "RW16" and resid 5    and name HA  ))
      2.600     0.900     0.900 peak   182 spectrum    1 weight  0.10000E+01 volume  0.37087E-02 ppm1      2.964 ppm2      3.900 CV     1
 OR {  182}
   (( segid "RW16" and resid 5    and name HD1 ))
   (( segid "RW16" and resid 5    and name HA  ))
 OR {  182}
   (( segid "RW16" and resid 5    and name HD2 ))
   (( segid "RW16" and resid 5    and name HA  ))
 OR {  182}
   (( segid "RW16" and resid 8    and name HD2 ))
   (( segid "RW16" and resid 5    and name HA  ))
 OR {  182}
   (( segid "RW16" and resid 2    and name HD1 ))
   (( segid "RW16" and resid 1    and name HA  ))
 OR {  182}
   (( segid "RW16" and resid 2    and name HD2 ))
   (( segid "RW16" and resid 1    and name HA  ))
 OR {  182}
   (( segid "RW16" and resid 4    and name HD2 ))
   (( segid "RW16" and resid 5    and name HA  ))
 ASSI {  183}
   (( segid "RW16" and resid 4    and name HD1 ))
   (( segid "RW16" and resid 4    and name HG2 ))
      2.200     0.600     0.600 peak   183 spectrum    1 weight  0.10000E+01 volume  0.69246E-02 ppm1      2.971 ppm2      1.249 CV     1
 OR {  183}
   (( segid "RW16" and resid 4    and name HD2 ))
   (( segid "RW16" and resid 4    and name HG2 ))
 OR {  183}
   (( segid "RW16" and resid 2    and name HD1 ))
   (( segid "RW16" and resid 2    and name HG1 ))
 OR {  183}
   (( segid "RW16" and resid 2    and name HD2 ))
   (( segid "RW16" and resid 2    and name HG2 ))
 OR {  183}
   (( segid "RW16" and resid 2    and name HD2 ))
   (( segid "RW16" and resid 2    and name HG1 ))
 OR {  183}
   (( segid "RW16" and resid 2    and name HD1 ))
   (( segid "RW16" and resid 2    and name HG2 ))
 OR {  183}
   (( segid "RW16" and resid 4    and name HD1 ))
   (( segid "RW16" and resid 4    and name HG1 ))
 ASSI {  192}
   (( segid "RW16" and resid 10   and name HB2 ))
   (( segid "RW16" and resid 10   and name HZ3 ))
      3.900     1.900     1.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.43007E-03 ppm1      2.986 ppm2      6.746 CV     1
 OR {  192}
   (( segid "RW16" and resid 10   and name HB2 ))
   (( segid "RW16" and resid 10   and name HH2 ))
 OR {  192}
   (( segid "RW16" and resid 10   and name HB2 ))
   (( segid "RW16" and resid 14   and name HD1 ))
 ASSI {  196}
   (( segid "RW16" and resid 4    and name HD1 ))
   (( segid "RW16" and resid 7    and name HD1 ))
      3.100     1.200     1.200 peak   196 spectrum    1 weight  0.10000E+01 volume  0.98915E-03 ppm1      3.005 ppm2      7.041 CV     1
 OR {  196}
   (( segid "RW16" and resid 4    and name HD2 ))
   (( segid "RW16" and resid 7    and name HD1 ))
 OR {  196}
   (( segid "RW16" and resid 8    and name HD1 ))
   (( segid "RW16" and resid 7    and name HD1 ))
 ASSI {  199}
   (( segid "RW16" and resid 5    and name HD2 ))
   (( segid "RW16" and resid 6    and name HN  ))
      3.700     1.700     1.700 peak   199 spectrum    1 weight  0.10000E+01 volume  0.59271E-03 ppm1      3.005 ppm2      7.702 CV     1
 OR {  199}
   (( segid "RW16" and resid 5    and name HD1 ))
   (( segid "RW16" and resid 6    and name HN  ))
 OR {  199}
   (( segid "RW16" and resid 10   and name HB2 ))
   (( segid "RW16" and resid 15   and name HN  ))
 OR {  199}
   (( segid "RW16" and resid 4    and name HD1 ))
   (( segid "RW16" and resid 6    and name HN  ))
 OR {  199}
   (( segid "RW16" and resid 4    and name HD2 ))
   (( segid "RW16" and resid 6    and name HN  ))
 ASSI {  204}
   (( segid "RW16" and resid 5    and name HD1 ))
   (( segid "RW16" and resid 5    and name HG2 ))
      2.100     0.600     0.600 peak   204 spectrum    1 weight  0.10000E+01 volume  0.10556E-01 ppm1      3.015 ppm2      1.479 CV     1
 OR {  204}
   (( segid "RW16" and resid 12   and name HD1 ))
   (( segid "RW16" and resid 12   and name HG1 ))
 OR {  204}
   (( segid "RW16" and resid 16   and name HD1 ))
   (( segid "RW16" and resid 16   and name HG1 ))
 OR {  204}
   (( segid "RW16" and resid 5    and name HD2 ))
   (( segid "RW16" and resid 5    and name HG1 ))
 OR {  204}
   (( segid "RW16" and resid 12   and name HD2 ))
   (( segid "RW16" and resid 12   and name HG2 ))
 OR {  204}
   (( segid "RW16" and resid 12   and name HD2 ))
   (( segid "RW16" and resid 12   and name HG1 ))
 OR {  204}
   (( segid "RW16" and resid 12   and name HD1 ))
   (( segid "RW16" and resid 12   and name HG2 ))
 OR {  204}
   (( segid "RW16" and resid 5    and name HD2 ))
   (( segid "RW16" and resid 5    and name HG2 ))
 OR {  204}
   (( segid "RW16" and resid 5    and name HD1 ))
   (( segid "RW16" and resid 5    and name HG1 ))
 OR {  204}
   (( segid "RW16" and resid 16   and name HD1 ))
   (( segid "RW16" and resid 16   and name HG2 ))
 OR {  204}
   (( segid "RW16" and resid 16   and name HD2 ))
   (( segid "RW16" and resid 16   and name HG1 ))
 ASSI {  207}
   (( segid "RW16" and resid 12   and name HD2 ))
   (( segid "RW16" and resid 12   and name HB1 ))
      2.100     0.600     0.600 peak   207 spectrum    1 weight  0.10000E+01 volume  0.11280E-01 ppm1      3.034 ppm2      1.573 CV     1
 OR {  207}
   (( segid "RW16" and resid 1    and name HD2 ))
   (( segid "RW16" and resid 1    and name HB1 ))
 OR {  207}
   (( segid "RW16" and resid 1    and name HD1 ))
   (( segid "RW16" and resid 1    and name HB1 ))
 OR {  207}
   (( segid "RW16" and resid 8    and name HD1 ))
   (( segid "RW16" and resid 8    and name HB2 ))
 OR {  207}
   (( segid "RW16" and resid 1    and name HD2 ))
   (( segid "RW16" and resid 1    and name HB2 ))
 OR {  207}
   (( segid "RW16" and resid 12   and name HD1 ))
   (( segid "RW16" and resid 12   and name HB1 ))
 OR {  207}
   (( segid "RW16" and resid 8    and name HD2 ))
   (( segid "RW16" and resid 8    and name HB2 ))
 OR {  207}
   (( segid "RW16" and resid 1    and name HD1 ))
   (( segid "RW16" and resid 1    and name HB2 ))
 OR {  207}
   (( segid "RW16" and resid 4    and name HD2 ))
   (( segid "RW16" and resid 4    and name HB1 ))
 ASSI {  208}
   (( segid "RW16" and resid 4    and name HD2 ))
   (( segid "RW16" and resid 3    and name HE1 ))
      3.000     3.000     3.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.88849E-03 ppm1      3.035 ppm2     10.477 CV     1
 OR {  208}
   (( segid "RW16" and resid 1    and name HD2 ))
   (( segid "RW16" and resid 3    and name HE1 ))
 OR {  208}
   (( segid "RW16" and resid 1    and name HD1 ))
   (( segid "RW16" and resid 3    and name HE1 ))
 OR {  208}
   (( segid "RW16" and resid 4    and name HD1 ))
   (( segid "RW16" and resid 3    and name HE1 ))
 ASSI {  209}
   (( segid "RW16" and resid 4    and name HD1 ))
   (( segid "RW16" and resid 4    and name HN  ))
      4.000     2.000     2.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.35846E-03 ppm1      3.039 ppm2      7.742 CV     1
 OR {  209}
   (( segid "RW16" and resid 4    and name HD2 ))
   (( segid "RW16" and resid 4    and name HN  ))
 OR {  209}
   (( segid "RW16" and resid 5    and name HD2 ))
   (( segid "RW16" and resid 6    and name HN  ))
 OR {  209}
   (( segid "RW16" and resid 5    and name HD1 ))
   (( segid "RW16" and resid 6    and name HN  ))
 OR {  209}
   (( segid "RW16" and resid 1    and name HD2 ))
   (( segid "RW16" and resid 4    and name HN  ))
 OR {  209}
   (( segid "RW16" and resid 4    and name HD2 ))
   (( segid "RW16" and resid 6    and name HN  ))
 ASSI {  227}
   (( segid "RW16" and resid 7    and name HB1 ))
   (( segid "RW16" and resid 8    and name HN  ))
      3.000     1.100     1.100 peak   227 spectrum    1 weight  0.10000E+01 volume  0.13312E-02 ppm1      3.278 ppm2      7.823 CV     1
 OR {  227}
   (( segid "RW16" and resid 3    and name HB2 ))
   (( segid "RW16" and resid 4    and name HN  ))
 OR {  227}
   (( segid "RW16" and resid 3    and name HB1 ))
   (( segid "RW16" and resid 4    and name HN  ))
 OR {  227}
   (( segid "RW16" and resid 7    and name HB1 ))
   (( segid "RW16" and resid 5    and name HN  ))
 OR {  227}
   (( segid "RW16" and resid 7    and name HB1 ))
   (( segid "RW16" and resid 4    and name HN  ))
 OR {  227}
   (( segid "RW16" and resid 6    and name HB1 ))
   (( segid "RW16" and resid 10   and name HN  ))
 OR {  227}
   (( segid "RW16" and resid 6    and name HB2 ))
   (( segid "RW16" and resid 8    and name HN  ))
 ASSI {  228}
   (( segid "RW16" and resid 3    and name HB1 ))
   (( segid "RW16" and resid 6    and name HZ3 ))
      3.200     1.300     1.300 peak   228 spectrum    1 weight  0.10000E+01 volume  0.11292E-02 ppm1      3.278 ppm2      6.632 CV     1
 OR {  228}
   (( segid "RW16" and resid 3    and name HB2 ))
   (( segid "RW16" and resid 6    and name HZ3 ))
 OR {  228}
   (( segid "RW16" and resid 7    and name HB1 ))
   (( segid "RW16" and resid 3    and name HZ3 ))
 OR {  228}
   (( segid "RW16" and resid 3    and name HB2 ))
   (( segid "RW16" and resid 3    and name HZ3 ))
 OR {  228}
   (( segid "RW16" and resid 6    and name HB2 ))
   (( segid "RW16" and resid 6    and name HZ3 ))
 ASSI {  233}
   (( segid "RW16" and resid 3    and name HB1 ))
   (( segid "RW16" and resid 6    and name HH2 ))
      3.300     1.400     1.400 peak   233 spectrum    1 weight  0.10000E+01 volume  0.10481E-02 ppm1      3.291 ppm2      6.786 CV     1
 OR {  233}
   (( segid "RW16" and resid 3    and name HB2 ))
   (( segid "RW16" and resid 6    and name HH2 ))
 OR {  233}
   (( segid "RW16" and resid 6    and name HB1 ))
   (( segid "RW16" and resid 6    and name HH2 ))
 OR {  233}
   (( segid "RW16" and resid 7    and name HB1 ))
   (( segid "RW16" and resid 7    and name HZ3 ))
 OR {  233}
   (( segid "RW16" and resid 7    and name HB1 ))
   (( segid "RW16" and resid 11   and name HD1 ))
 OR {  233}
   (( segid "RW16" and resid 3    and name HB2 ))
   (( segid "RW16" and resid 7    and name HZ3 ))
 OR {  233}
   (( segid "RW16" and resid 6    and name HB2 ))
   (( segid "RW16" and resid 6    and name HH2 ))
 ASSI {  247}
   (( segid "RW16" and resid 15   and name HA  ))
   (( segid "RW16" and resid 15   and name HB2 ))
      2.500     0.800     0.800 peak   247 spectrum    1 weight  0.10000E+01 volume  0.43533E-02 ppm1      3.635 ppm2      1.417 CV     1
 OR {  247}
   (( segid "RW16" and resid 12   and name HA  ))
   (( segid "RW16" and resid 12   and name HG2 ))
 OR {  247}
   (( segid "RW16" and resid 12   and name HA  ))
   (( segid "RW16" and resid 12   and name HG1 ))
 ASSI {  248}
   (( segid "RW16" and resid 12   and name HA  ))
   (( segid "RW16" and resid 11   and name HE3 ))
      2.800     1.000     1.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.21783E-02 ppm1      3.649 ppm2      7.355 CV     1
 OR {  248}
   (( segid "RW16" and resid 12   and name HA  ))
   (( segid "RW16" and resid 13   and name HN  ))
 ASSI {  249}
   (( segid "RW16" and resid 12   and name HA  ))
   (( segid "RW16" and resid 12   and name HB2 ))
      2.400     0.700     0.700 peak   249 spectrum    1 weight  0.10000E+01 volume  0.49829E-02 ppm1      3.650 ppm2      1.697 CV     1
 OR {  249}
   (( segid "RW16" and resid 12   and name HA  ))
   (( segid "RW16" and resid 16   and name HB2 ))
 OR {  249}
   (( segid "RW16" and resid 12   and name HA  ))
   (( segid "RW16" and resid 16   and name HB1 ))
 ASSI {  250}
   (( segid "RW16" and resid 15   and name HA  ))
   (( segid "RW16" and resid 14   and name HZ3 ))
      3.100     1.200     1.200 peak   250 spectrum    1 weight  0.10000E+01 volume  0.14114E-02 ppm1      3.655 ppm2      6.843 CV     1
 OR {  250}
   (( segid "RW16" and resid 12   and name HA  ))
   (( segid "RW16" and resid 11   and name HZ3 ))
 ASSI {  257}
   (( segid "RW16" and resid 8    and name HA  ))
   (( segid "RW16" and resid 7    and name HD1 ))
      2.500     0.800     0.800 peak   257 spectrum    1 weight  0.10000E+01 volume  0.42032E-02 ppm1      3.761 ppm2      7.041 CV     1
 OR {  257}
   (( segid "RW16" and resid 4    and name HA  ))
   (( segid "RW16" and resid 7    and name HD1 ))
 ASSI {  259}
   (( segid "RW16" and resid 4    and name HA  ))
   (( segid "RW16" and resid 4    and name HE  ))
      3.100     1.200     1.200 peak   259 spectrum    1 weight  0.10000E+01 volume  0.15363E-02 ppm1      3.762 ppm2      7.422 CV     1
 OR {  259}
   (( segid "RW16" and resid 4    and name HA  ))
   (( segid "RW16" and resid 7    and name HE3 ))
 ASSI {  264}
   (( segid "RW16" and resid 8    and name HA  ))
   (( segid "RW16" and resid 8    and name HB2 ))
      2.600     0.800     0.800 peak   264 spectrum    1 weight  0.10000E+01 volume  0.33917E-02 ppm1      3.766 ppm2      1.560 CV     1
 OR {  264}
   (( segid "RW16" and resid 4    and name HA  ))
   (( segid "RW16" and resid 4    and name HB1 ))
 ASSI {  266}
   (( segid "RW16" and resid 8    and name HA  ))
   (( segid "RW16" and resid 11   and name HD1 ))
      3.000     1.100     1.100 peak   266 spectrum    1 weight  0.10000E+01 volume  0.16088E-02 ppm1      3.768 ppm2      6.843 CV     1
 OR {  266}
   (( segid "RW16" and resid 4    and name HA  ))
   (( segid "RW16" and resid 3    and name HH2 ))
 OR {  266}
   (( segid "RW16" and resid 4    and name HA  ))
   (( segid "RW16" and resid 7    and name HZ3 ))
 ASSI {  269}
   (( segid "RW16" and resid 8    and name HA  ))
   (( segid "RW16" and resid 8    and name HB1 ))
      2.200     0.600     0.600 peak   269 spectrum    1 weight  0.10000E+01 volume  0.73437E-02 ppm1      3.776 ppm2      1.708 CV     1
 OR {  269}
   (( segid "RW16" and resid 4    and name HA  ))
   (( segid "RW16" and resid 4    and name HB2 ))
 ASSI {  270}
   (( segid "RW16" and resid 9    and name HA  ))
   (( segid "RW16" and resid 9    and name HG1 ))
      2.800     1.000     1.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.22249E-02 ppm1      3.790 ppm2      1.293 CV     1
 OR {  270}
   (( segid "RW16" and resid 4    and name HA  ))
   (( segid "RW16" and resid 4    and name HG2 ))
 OR {  270}
   (( segid "RW16" and resid 9    and name HA  ))
   (( segid "RW16" and resid 9    and name HG2 ))
 OR {  270}
   (( segid "RW16" and resid 4    and name HA  ))
   (( segid "RW16" and resid 4    and name HG1 ))
 ASSI {  272}
   (( segid "RW16" and resid 1    and name HA  ))
   (( segid "RW16" and resid 1    and name HB1 ))
      2.200     0.600     0.600 peak   272 spectrum    1 weight  0.10000E+01 volume  0.79721E-02 ppm1      3.894 ppm2      1.651 CV     1
 OR {  272}
   (( segid "RW16" and resid 13   and name HA  ))
   (( segid "RW16" and resid 13   and name HB2 ))
 OR {  272}
   (( segid "RW16" and resid 5    and name HA  ))
   (( segid "RW16" and resid 5    and name HB1 ))
 OR {  272}
   (( segid "RW16" and resid 1    and name HA  ))
   (( segid "RW16" and resid 1    and name HB2 ))
 OR {  272}
   (( segid "RW16" and resid 5    and name HA  ))
   (( segid "RW16" and resid 5    and name HB2 ))
 OR {  272}
   (( segid "RW16" and resid 13   and name HA  ))
   (( segid "RW16" and resid 13   and name HB1 ))
 ASSI {  273}
   (( segid "RW16" and resid 13   and name HA  ))
   (( segid "RW16" and resid 13   and name HB2 ))
      2.200     0.600     0.600 peak   273 spectrum    1 weight  0.10000E+01 volume  0.93045E-02 ppm1      3.896 ppm2      1.704 CV     1
 OR {  273}
   (( segid "RW16" and resid 5    and name HA  ))
   (( segid "RW16" and resid 5    and name HB1 ))
 OR {  273}
   (( segid "RW16" and resid 5    and name HA  ))
   (( segid "RW16" and resid 5    and name HB2 ))
 OR {  273}
   (( segid "RW16" and resid 13   and name HA  ))
   (( segid "RW16" and resid 13   and name HB1 ))
 ASSI {  275}
   (( segid "RW16" and resid 13   and name HA  ))
   (( segid "RW16" and resid 13   and name HG1 ))
      2.700     0.900     0.900 peak   275 spectrum    1 weight  0.10000E+01 volume  0.28471E-02 ppm1      3.901 ppm2      1.404 CV     1
 OR {  275}
   (( segid "RW16" and resid 13   and name HA  ))
   (( segid "RW16" and resid 13   and name HG2 ))
 OR {  275}
   (( segid "RW16" and resid 5    and name HA  ))
   (( segid "RW16" and resid 8    and name HG1 ))
 ASSI {  286}
   (( segid "RW16" and resid 13   and name HA  ))
   (( segid "RW16" and resid 13   and name HB2 ))
      2.400     0.700     0.700 peak   286 spectrum    1 weight  0.10000E+01 volume  0.55551E-02 ppm1      3.952 ppm2      1.688 CV     1
 OR {  286}
   (( segid "RW16" and resid 5    and name HA  ))
   (( segid "RW16" and resid 5    and name HB1 ))
 OR {  286}
   (( segid "RW16" and resid 16   and name HA  ))
   (( segid "RW16" and resid 16   and name HB2 ))
 OR {  286}
   (( segid "RW16" and resid 16   and name HA  ))
   (( segid "RW16" and resid 16   and name HB1 ))
 OR {  286}
   (( segid "RW16" and resid 5    and name HA  ))
   (( segid "RW16" and resid 5    and name HB2 ))
 OR {  286}
   (( segid "RW16" and resid 13   and name HA  ))
   (( segid "RW16" and resid 13   and name HB1 ))
 ASSI {  287}
   (( segid "RW16" and resid 5    and name HA  ))
   (( segid "RW16" and resid 5    and name HG1 ))
      2.400     0.700     0.700 peak   287 spectrum    1 weight  0.10000E+01 volume  0.57419E-02 ppm1      3.953 ppm2      1.496 CV     1
 OR {  287}
   (( segid "RW16" and resid 2    and name HA  ))
   (( segid "RW16" and resid 2    and name HB2 ))
 OR {  287}
   (( segid "RW16" and resid 5    and name HA  ))
   (( segid "RW16" and resid 5    and name HG2 ))
 OR {  287}
   (( segid "RW16" and resid 16   and name HA  ))
   (( segid "RW16" and resid 16   and name HG1 ))
 OR {  287}
   (( segid "RW16" and resid 1    and name HA  ))
   (( segid "RW16" and resid 1    and name HG2 ))
 OR {  287}
   (( segid "RW16" and resid 16   and name HA  ))
   (( segid "RW16" and resid 16   and name HG2 ))
 OR {  287}
   (( segid "RW16" and resid 1    and name HA  ))
   (( segid "RW16" and resid 1    and name HG1 ))
 ASSI {  288}
   (( segid "RW16" and resid 2    and name HA  ))
   (( segid "RW16" and resid 2    and name HB1 ))
      2.100     0.600     0.600 peak   288 spectrum    1 weight  0.10000E+01 volume  0.94762E-02 ppm1      3.962 ppm2      1.594 CV     1
 OR {  288}
   (( segid "RW16" and resid 1    and name HA  ))
   (( segid "RW16" and resid 1    and name HB1 ))
 OR {  288}
   (( segid "RW16" and resid 1    and name HA  ))
   (( segid "RW16" and resid 1    and name HB2 ))
 ASSI {  299}
   (( segid "RW16" and resid 11   and name HA  ))
   (( segid "RW16" and resid 11   and name HB1 ))
      2.800     1.000     1.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.28250E-02 ppm1      4.073 ppm2      2.772 CV     1
 OR {  299}
   (( segid "RW16" and resid 10   and name HA  ))
   (( segid "RW16" and resid 10   and name HB1 ))
 ASSI {  307}
   (( segid "RW16" and resid 10   and name HA  ))
   (( segid "RW16" and resid 13   and name HB1 ))
      2.800     1.000     1.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.17856E-02 ppm1      4.120 ppm2      1.705 CV     1
 OR {  307}
   (( segid "RW16" and resid 10   and name HA  ))
   (( segid "RW16" and resid 13   and name HB2 ))
 OR {  307}
   (( segid "RW16" and resid 14   and name HA  ))
   (( segid "RW16" and resid 13   and name HB2 ))
 OR {  307}
   (( segid "RW16" and resid 14   and name HA  ))
   (( segid "RW16" and resid 13   and name HB1 ))
 ASSI {  320}
   (( segid "RW16" and resid 7    and name HA  ))
   (( segid "RW16" and resid 8    and name HN  ))
      2.900     1.000     1.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.19939E-02 ppm1      4.244 ppm2      7.805 CV     1
 OR {  320}
   (( segid "RW16" and resid 7    and name HA  ))
   (( segid "RW16" and resid 10   and name HN  ))
 OR {  320}
   (( segid "RW16" and resid 6    and name HA  ))
   (( segid "RW16" and resid 8    and name HN  ))
 OR {  320}
   (( segid "RW16" and resid 6    and name HA  ))
   (( segid "RW16" and resid 10   and name HN  ))
 ASSI {  343}
   (( segid "RW16" and resid 3    and name HZ3 ))
   (( segid "RW16" and resid 4    and name HD2 ))
      3.000     1.100     1.100 peak   343 spectrum    1 weight  0.10000E+01 volume  0.14666E-02 ppm1      6.628 ppm2      3.000 CV     1
 OR {  343}
   (( segid "RW16" and resid 3    and name HZ3 ))
   (( segid "RW16" and resid 4    and name HD1 ))
 OR {  343}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 10   and name HB2 ))
 ASSI {  344}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 15   and name HB2 ))
      3.600     1.700     1.700 peak   344 spectrum    1 weight  0.10000E+01 volume  0.45667E-03 ppm1      6.630 ppm2      1.424 CV     1
 OR {  344}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 13   and name HG2 ))
 OR {  344}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 8    and name HG2 ))
 OR {  344}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 8    and name HG1 ))
 OR {  344}
   (( segid "RW16" and resid 3    and name HZ3 ))
   (( segid "RW16" and resid 8    and name HG2 ))
 OR {  344}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 13   and name HG1 ))
 OR {  344}
   (( segid "RW16" and resid 6    and name HZ3 ))
   (( segid "RW16" and resid 5    and name HG2 ))
 OR {  344}
   (( segid "RW16" and resid 6    and name HZ3 ))
   (( segid "RW16" and resid 5    and name HG1 ))
 OR {  344}
   (( segid "RW16" and resid 3    and name HZ3 ))
   (( segid "RW16" and resid 8    and name HG1 ))
 OR {  344}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 12   and name HG2 ))
 OR {  344}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 12   and name HG1 ))
 ASSI {  346}
   (( segid "RW16" and resid 3    and name HZ3 ))
   (( segid "RW16" and resid 4    and name HB2 ))
      3.500     1.500     1.500 peak   346 spectrum    1 weight  0.10000E+01 volume  0.62206E-03 ppm1      6.637 ppm2      1.706 CV     1
 OR {  346}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 13   and name HB1 ))
 OR {  346}
   (( segid "RW16" and resid 6    and name HZ3 ))
   (( segid "RW16" and resid 5    and name HB2 ))
 OR {  346}
   (( segid "RW16" and resid 6    and name HZ3 ))
   (( segid "RW16" and resid 5    and name HB1 ))
 OR {  346}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 9    and name HB2 ))
 OR {  346}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 8    and name HB1 ))
 OR {  346}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 13   and name HB2 ))
 OR {  346}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 12   and name HB2 ))
 OR {  346}
   (( segid "RW16" and resid 6    and name HZ3 ))
   (( segid "RW16" and resid 4    and name HB2 ))
 OR {  346}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 16   and name HB2 ))
 ASSI {  347}
   (( segid "RW16" and resid 6    and name HZ3 ))
   (( segid "RW16" and resid 2    and name HB1 ))
      3.600     1.600     1.600 peak   347 spectrum    1 weight  0.10000E+01 volume  0.44814E-03 ppm1      6.638 ppm2      1.643 CV     1
 OR {  347}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 13   and name HB1 ))
 OR {  347}
   (( segid "RW16" and resid 6    and name HZ3 ))
   (( segid "RW16" and resid 5    and name HB2 ))
 OR {  347}
   (( segid "RW16" and resid 6    and name HZ3 ))
   (( segid "RW16" and resid 5    and name HB1 ))
 OR {  347}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 9    and name HB2 ))
 OR {  347}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 8    and name HB1 ))
 OR {  347}
   (( segid "RW16" and resid 3    and name HZ3 ))
   (( segid "RW16" and resid 1    and name HB1 ))
 OR {  347}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 13   and name HB2 ))
 OR {  347}
   (( segid "RW16" and resid 3    and name HZ3 ))
   (( segid "RW16" and resid 1    and name HB2 ))
 OR {  347}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 12   and name HB2 ))
 OR {  347}
   (( segid "RW16" and resid 10   and name HD1 ))
   (( segid "RW16" and resid 16   and name HB2 ))
 OR {  347}
   (( segid "RW16" and resid 3    and name HZ3 ))
   (( segid "RW16" and resid 5    and name HB1 ))
 OR {  347}
   (( segid "RW16" and resid 3    and name HZ3 ))
   (( segid "RW16" and resid 8    and name HB1 ))
 OR {  347}
   (( segid "RW16" and resid 3    and name HZ3 ))
   (( segid "RW16" and resid 5    and name HB2 ))
 ASSI {  351}
   (( segid "RW16" and resid 6    and name HZ3 ))
   (( segid "RW16" and resid 2    and name HB1 ))
      3.400     3.400     2.600 peak   351 spectrum    1 weight  0.10000E+01 volume  0.52266E-03 ppm1      6.653 ppm2      1.629 CV     1
 OR {  351}
   (( segid "RW16" and resid 3    and name HZ3 ))
   (( segid "RW16" and resid 1    and name HB1 ))
 OR {  351}
   (( segid "RW16" and resid 3    and name HZ3 ))
   (( segid "RW16" and resid 1    and name HB2 ))
 ASSI {  359}
   (( segid "RW16" and resid 6    and name HH2 ))
   (( segid "RW16" and resid 3    and name HB1 ))
      3.500     1.500     1.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.49694E-03 ppm1      6.793 ppm2      3.285 CV     1
 OR {  359}
   (( segid "RW16" and resid 6    and name HH2 ))
   (( segid "RW16" and resid 3    and name HB2 ))
 OR {  359}
   (( segid "RW16" and resid 7    and name HZ3 ))
   (( segid "RW16" and resid 7    and name HB1 ))
 OR {  359}
   (( segid "RW16" and resid 11   and name HD1 ))
   (( segid "RW16" and resid 7    and name HB1 ))
 OR {  359}
   (( segid "RW16" and resid 7    and name HZ3 ))
   (( segid "RW16" and resid 3    and name HB2 ))
 OR {  359}
   (( segid "RW16" and resid 6    and name HH2 ))
   (( segid "RW16" and resid 6    and name HB2 ))
 ASSI {  360}
   (( segid "RW16" and resid 11   and name HZ3 ))
   (( segid "RW16" and resid 16   and name HD1 ))
      3.000     1.100     1.100 peak   360 spectrum    1 weight  0.10000E+01 volume  0.13749E-02 ppm1      6.797 ppm2      3.035 CV     1
 OR {  360}
   (( segid "RW16" and resid 11   and name HZ3 ))
   (( segid "RW16" and resid 16   and name HD2 ))
 OR {  360}
   (( segid "RW16" and resid 7    and name HZ3 ))
   (( segid "RW16" and resid 4    and name HD1 ))
 OR {  360}
   (( segid "RW16" and resid 7    and name HZ3 ))
   (( segid "RW16" and resid 4    and name HD2 ))
 OR {  360}
   (( segid "RW16" and resid 11   and name HD1 ))
   (( segid "RW16" and resid 4    and name HD1 ))
 OR {  360}
   (( segid "RW16" and resid 6    and name HH2 ))
   (( segid "RW16" and resid 5    and name HD2 ))
 OR {  360}
   (( segid "RW16" and resid 11   and name HZ3 ))
   (( segid "RW16" and resid 12   and name HD2 ))
 OR {  360}
   (( segid "RW16" and resid 11   and name HZ3 ))
   (( segid "RW16" and resid 12   and name HD1 ))
 OR {  360}
   (( segid "RW16" and resid 11   and name HD1 ))
   (( segid "RW16" and resid 4    and name HD2 ))
 ASSI {  366}
   (( segid "RW16" and resid 11   and name HZ3 ))
   (( segid "RW16" and resid 16   and name HB2 ))
      3.600     1.600     1.600 peak   366 spectrum    1 weight  0.10000E+01 volume  0.47825E-03 ppm1      6.818 ppm2      1.702 CV     1
 OR {  366}
   (( segid "RW16" and resid 11   and name HZ3 ))
   (( segid "RW16" and resid 16   and name HB1 ))
 OR {  366}
   (( segid "RW16" and resid 14   and name HD1 ))
   (( segid "RW16" and resid 13   and name HB2 ))
 OR {  366}
   (( segid "RW16" and resid 14   and name HD1 ))
   (( segid "RW16" and resid 13   and name HB1 ))
 OR {  366}
   (( segid "RW16" and resid 3    and name HH2 ))
   (( segid "RW16" and resid 4    and name HB2 ))
 OR {  366}
   (( segid "RW16" and resid 11   and name HD1 ))
   (( segid "RW16" and resid 8    and name HB1 ))
 OR {  366}
   (( segid "RW16" and resid 10   and name HZ3 ))
   (( segid "RW16" and resid 13   and name HB1 ))
 OR {  366}
   (( segid "RW16" and resid 6    and name HH2 ))
   (( segid "RW16" and resid 5    and name HB1 ))
 OR {  366}
   (( segid "RW16" and resid 11   and name HZ3 ))
   (( segid "RW16" and resid 12   and name HB2 ))
 OR {  366}
   (( segid "RW16" and resid 10   and name HZ3 ))
   (( segid "RW16" and resid 13   and name HB2 ))
 ASSI {  368}
   (( segid "RW16" and resid 14   and name HD1 ))
   (( segid "RW16" and resid 14   and name HB2 ))
      3.000     1.100     1.100 peak   368 spectrum    1 weight  0.10000E+01 volume  0.12224E-02 ppm1      6.819 ppm2      2.897 CV     1
 OR {  368}
   (( segid "RW16" and resid 11   and name HD1 ))
   (( segid "RW16" and resid 11   and name HB2 ))
 ASSI {  372}
   (( segid "RW16" and resid 11   and name HD1 ))
   (( segid "RW16" and resid 8    and name HA  ))
      3.200     1.300     1.300 peak   372 spectrum    1 weight  0.10000E+01 volume  0.10785E-02 ppm1      6.835 ppm2      3.757 CV     1
 OR {  372}
   (( segid "RW16" and resid 3    and name HH2 ))
   (( segid "RW16" and resid 4    and name HA  ))
 ASSI {  373}
   (( segid "RW16" and resid 14   and name HD1 ))
   (( segid "RW16" and resid 14   and name HB1 ))
      3.200     1.300     1.300 peak   373 spectrum    1 weight  0.10000E+01 volume  0.15727E-02 ppm1      6.836 ppm2      2.662 CV     1
 OR {  373}
   (( segid "RW16" and resid 14   and name HZ3 ))
   (( segid "RW16" and resid 15   and name HD2 ))
 OR {  373}
   (( segid "RW16" and resid 11   and name HD1 ))
   (( segid "RW16" and resid 15   and name HD1 ))
 OR {  373}
   (( segid "RW16" and resid 14   and name HZ3 ))
   (( segid "RW16" and resid 14   and name HB1 ))
 OR {  373}
   (( segid "RW16" and resid 14   and name HZ3 ))
   (( segid "RW16" and resid 15   and name HD1 ))
 OR {  373}
   (( segid "RW16" and resid 11   and name HZ3 ))
   (( segid "RW16" and resid 15   and name HD1 ))
 ASSI {  377}
   (( segid "RW16" and resid 3    and name HH2 ))
   (( segid "RW16" and resid 4    and name HD2 ))
      2.900     1.100     1.100 peak   377 spectrum    1 weight  0.10000E+01 volume  0.15055E-02 ppm1      6.841 ppm2      3.033 CV     1
 OR {  377}
   (( segid "RW16" and resid 3    and name HH2 ))
   (( segid "RW16" and resid 4    and name HD1 ))
 OR {  377}
   (( segid "RW16" and resid 11   and name HZ3 ))
   (( segid "RW16" and resid 16   and name HD2 ))
 ASSI {  383}
   (( segid "RW16" and resid 14   and name HZ3 ))
   (( segid "RW16" and resid 15   and name HG1 ))
      3.200     1.300     1.300 peak   383 spectrum    1 weight  0.10000E+01 volume  0.89867E-03 ppm1      6.846 ppm2      1.072 CV     1
 OR {  383}
   (( segid "RW16" and resid 14   and name HZ3 ))
   (( segid "RW16" and resid 15   and name HG2 ))
 OR {  383}
   (( segid "RW16" and resid 11   and name HZ3 ))
   (( segid "RW16" and resid 15   and name HG2 ))
 ASSI {  396}
   (( segid "RW16" and resid 3    and name HD1 ))
   (( segid "RW16" and resid 2    and name HB2 ))
      3.700     1.700     1.700 peak   396 spectrum    1 weight  0.10000E+01 volume  0.51445E-03 ppm1      7.046 ppm2      1.524 CV     1
 OR {  396}
   (( segid "RW16" and resid 7    and name HD1 ))
   (( segid "RW16" and resid 8    and name HB2 ))
 OR {  396}
   (( segid "RW16" and resid 3    and name HD1 ))
   (( segid "RW16" and resid 4    and name HB1 ))
 OR {  396}
   (( segid "RW16" and resid 7    and name HD1 ))
   (( segid "RW16" and resid 4    and name HB1 ))
 OR {  396}
   (( segid "RW16" and resid 3    and name HD1 ))
   (( segid "RW16" and resid 1    and name HG2 ))
 OR {  396}
   (( segid "RW16" and resid 3    and name HD1 ))
   (( segid "RW16" and resid 1    and name HG1 ))
 ASSI {  405}
   (( segid "RW16" and resid 7    and name HD1 ))
   (( segid "RW16" and resid 8    and name HG2 ))
      3.400     1.500     1.500 peak   405 spectrum    1 weight  0.10000E+01 volume  0.71447E-03 ppm1      7.074 ppm2      1.409 CV     1
 OR {  405}
   (( segid "RW16" and resid 7    and name HD1 ))
   (( segid "RW16" and resid 8    and name HG1 ))
 OR {  405}
   (( segid "RW16" and resid 15   and name HE  ))
   (( segid "RW16" and resid 15   and name HB2 ))
 ASSI {  406}
   (( segid "RW16" and resid 3    and name HD1 ))
   (( segid "RW16" and resid 2    and name HG1 ))
      3.300     1.400     1.400 peak   406 spectrum    1 weight  0.10000E+01 volume  0.76783E-03 ppm1      7.075 ppm2      1.264 CV     1
 OR {  406}
   (( segid "RW16" and resid 3    and name HD1 ))
   (( segid "RW16" and resid 2    and name HG2 ))
 OR {  406}
   (( segid "RW16" and resid 3    and name HD1 ))
   (( segid "RW16" and resid 4    and name HG2 ))
 OR {  406}
   (( segid "RW16" and resid 7    and name HD1 ))
   (( segid "RW16" and resid 4    and name HG1 ))
 OR {  406}
   (( segid "RW16" and resid 3    and name HD1 ))
   (( segid "RW16" and resid 4    and name HG1 ))
 ASSI {  407}
   (( segid "RW16" and resid 14   and name HE3 ))
   (( segid "RW16" and resid 15   and name HB1 ))
      3.500     1.500     1.500 peak   407 spectrum    1 weight  0.10000E+01 volume  0.80928E-03 ppm1      7.084 ppm2      1.277 CV     1
 OR {  407}
   (( segid "RW16" and resid 3    and name HD1 ))
   (( segid "RW16" and resid 2    and name HG1 ))
 OR {  407}
   (( segid "RW16" and resid 15   and name HE  ))
   (( segid "RW16" and resid 15   and name HB1 ))
 OR {  407}
   (( segid "RW16" and resid 3    and name HD1 ))
   (( segid "RW16" and resid 2    and name HG2 ))
 ASSI {  408}
   (( segid "RW16" and resid 3    and name HD1 ))
   (( segid "RW16" and resid 2    and name HB1 ))
      3.200     3.200     2.800 peak   408 spectrum    1 weight  0.10000E+01 volume  0.87634E-03 ppm1      7.090 ppm2      1.597 CV     1
 OR {  408}
   (( segid "RW16" and resid 3    and name HD1 ))
   (( segid "RW16" and resid 1    and name HB1 ))
 OR {  408}
   (( segid "RW16" and resid 3    and name HD1 ))
   (( segid "RW16" and resid 1    and name HB2 ))
 ASSI {  409}
   (( segid "RW16" and resid 3    and name HD1 ))
   (( segid "RW16" and resid 2    and name HB2 ))
      3.700     1.700     1.700 peak   409 spectrum    1 weight  0.10000E+01 volume  0.54960E-03 ppm1      7.091 ppm2      1.503 CV     1
 OR {  409}
   (( segid "RW16" and resid 3    and name HD1 ))
   (( segid "RW16" and resid 4    and name HB1 ))
 OR {  409}
   (( segid "RW16" and resid 3    and name HD1 ))
   (( segid "RW16" and resid 1    and name HG2 ))
 OR {  409}
   (( segid "RW16" and resid 3    and name HD1 ))
   (( segid "RW16" and resid 1    and name HG1 ))
 ASSI {  411}
   (( segid "RW16" and resid 0    and name HE  ))
   (( segid "RW16" and resid 0    and name HB2 ))
      3.500     1.500     1.500 peak   411 spectrum    1 weight  0.10000E+01 volume  0.69061E-03 ppm1      7.106 ppm2      1.413 CV     1
 OR {  411}
   (( segid "RW16" and resid 0    and name HE  ))
   (( segid "RW16" and resid 0    and name HB1 ))
 OR {  411}
   (( segid "RW16" and resid 14   and name HE3 ))
   (( segid "RW16" and resid 15   and name HB2 ))
 OR {  411}
   (( segid "RW16" and resid 15   and name HE  ))
   (( segid "RW16" and resid 15   and name HB2 ))
 ASSI {  414}
   (( segid "RW16" and resid 14   and name HE3 ))
   (( segid "RW16" and resid 15   and name HG1 ))
      3.000     1.100     1.100 peak   414 spectrum    1 weight  0.10000E+01 volume  0.13289E-02 ppm1      7.119 ppm2      1.070 CV     1
 OR {  414}
   (( segid "RW16" and resid 15   and name HE  ))
   (( segid "RW16" and resid 15   and name HG1 ))
 OR {  414}
   (( segid "RW16" and resid 15   and name HE  ))
   (( segid "RW16" and resid 15   and name HG2 ))
 OR {  414}
   (( segid "RW16" and resid 14   and name HE3 ))
   (( segid "RW16" and resid 15   and name HG2 ))
 ASSI {  418}
   (( segid "RW16" and resid 6    and name HD1 ))
   (( segid "RW16" and resid 5    and name HB2 ))
      3.500     1.500     1.500 peak   418 spectrum    1 weight  0.10000E+01 volume  0.61375E-03 ppm1      7.132 ppm2      1.685 CV     1
 OR {  418}
   (( segid "RW16" and resid 16   and name HE  ))
   (( segid "RW16" and resid 16   and name HB1 ))
 OR {  418}
   (( segid "RW16" and resid 16   and name HE  ))
   (( segid "RW16" and resid 16   and name HB2 ))
 OR {  418}
   (( segid "RW16" and resid 6    and name HD1 ))
   (( segid "RW16" and resid 5    and name HB1 ))
 ASSI {  419}
   (( segid "RW16" and resid 0    and name HE  ))
   (( segid "RW16" and resid 0    and name HD1 ))
      3.000     1.100     1.100 peak   419 spectrum    1 weight  0.10000E+01 volume  0.13380E-02 ppm1      7.138 ppm2      2.900 CV     1
 OR {  419}
   (( segid "RW16" and resid 0    and name HE  ))
   (( segid "RW16" and resid 0    and name HD2 ))
 OR {  419}
   (( segid "RW16" and resid 14   and name HE3 ))
   (( segid "RW16" and resid 14   and name HB2 ))
 ASSI {  427}
   (( segid "RW16" and resid 10   and name HE3 ))
   (( segid "RW16" and resid 10   and name HB2 ))
      2.900     1.000     1.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.15807E-02 ppm1      7.174 ppm2      2.996 CV     1
 OR {  427}
   (( segid "RW16" and resid 16   and name HE  ))
   (( segid "RW16" and resid 16   and name HD2 ))
 OR {  427}
   (( segid "RW16" and resid 16   and name HE  ))
   (( segid "RW16" and resid 16   and name HD1 ))
 ASSI {  428}
   (( segid "RW16" and resid 6    and name HD1 ))
   (( segid "RW16" and resid 5    and name HB2 ))
      3.500     1.500     1.500 peak   428 spectrum    1 weight  0.10000E+01 volume  0.61865E-03 ppm1      7.178 ppm2      1.705 CV     1
 OR {  428}
   (( segid "RW16" and resid 16   and name HE  ))
   (( segid "RW16" and resid 16   and name HB1 ))
 OR {  428}
   (( segid "RW16" and resid 16   and name HE  ))
   (( segid "RW16" and resid 16   and name HB2 ))
 OR {  428}
   (( segid "RW16" and resid 6    and name HD1 ))
   (( segid "RW16" and resid 5    and name HB1 ))
 OR {  428}
   (( segid "RW16" and resid 10   and name HE3 ))
   (( segid "RW16" and resid 13   and name HB2 ))
 ASSI {  429}
   (( segid "RW16" and resid 6    and name HZ2 ))
   (( segid "RW16" and resid 6    and name HH2 ))
      2.000     0.500     0.500 peak   429 spectrum    1 weight  0.10000E+01 volume  0.18502E-01 ppm1      7.193 ppm2      6.782 CV     1
 OR {  429}
   (( segid "RW16" and resid 10   and name HE3 ))
   (( segid "RW16" and resid 10   and name HZ3 ))
 ASSI {  432}
   (( segid "RW16" and resid 13   and name HE  ))
   (( segid "RW16" and resid 13   and name HB2 ))
      3.700     1.700     1.700 peak   432 spectrum    1 weight  0.10000E+01 volume  0.45566E-03 ppm1      7.196 ppm2      1.650 CV     1
 OR {  432}
   (( segid "RW16" and resid 6    and name HD1 ))
   (( segid "RW16" and resid 5    and name HB2 ))
 OR {  432}
   (( segid "RW16" and resid 16   and name HE  ))
   (( segid "RW16" and resid 16   and name HB1 ))
 OR {  432}
   (( segid "RW16" and resid 13   and name HE  ))
   (( segid "RW16" and resid 13   and name HB1 ))
 OR {  432}
   (( segid "RW16" and resid 16   and name HE  ))
   (( segid "RW16" and resid 16   and name HB2 ))
 OR {  432}
   (( segid "RW16" and resid 6    and name HD1 ))
   (( segid "RW16" and resid 5    and name HB1 ))
 ASSI {  433}
   (( segid "RW16" and resid 10   and name HE3 ))
   (( segid "RW16" and resid 10   and name HB2 ))
      2.900     1.100     1.100 peak   433 spectrum    1 weight  0.10000E+01 volume  0.14787E-02 ppm1      7.207 ppm2      2.957 CV     1
 OR {  433}
   (( segid "RW16" and resid 2    and name HE  ))
   (( segid "RW16" and resid 2    and name HD1 ))
 OR {  433}
   (( segid "RW16" and resid 2    and name HE  ))
   (( segid "RW16" and resid 2    and name HD2 ))
 ASSI {  436}
   (( segid "RW16" and resid 10   and name HE3 ))
   (( segid "RW16" and resid 10   and name HB2 ))
      2.900     1.000     1.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.16183E-02 ppm1      7.219 ppm2      2.935 CV     1
 OR {  436}
   (( segid "RW16" and resid 13   and name HE  ))
   (( segid "RW16" and resid 13   and name HD2 ))
 OR {  436}
   (( segid "RW16" and resid 2    and name HE  ))
   (( segid "RW16" and resid 2    and name HD1 ))
 OR {  436}
   (( segid "RW16" and resid 2    and name HE  ))
   (( segid "RW16" and resid 2    and name HD2 ))
 OR {  436}
   (( segid "RW16" and resid 13   and name HE  ))
   (( segid "RW16" and resid 13   and name HD1 ))
 ASSI {  440}
   (( segid "RW16" and resid 3    and name HZ2 ))
   (( segid "RW16" and resid 3    and name HH2 ))
      2.000     0.500     0.500 peak   440 spectrum    1 weight  0.10000E+01 volume  0.17661E-01 ppm1      7.297 ppm2      6.854 CV     1
 OR {  440}
   (( segid "RW16" and resid 14   and name HZ2 ))
   (( segid "RW16" and resid 14   and name HZ3 ))
 OR {  440}
   (( segid "RW16" and resid 11   and name HZ2 ))
   (( segid "RW16" and resid 11   and name HZ3 ))
 ASSI {  441}
   (( segid "RW16" and resid 3    and name HE3 ))
   (( segid "RW16" and resid 3    and name HZ3 ))
      2.100     0.600     0.600 peak   441 spectrum    1 weight  0.10000E+01 volume  0.11075E-01 ppm1      7.328 ppm2      6.630 CV     1
 OR {  441}
   (( segid "RW16" and resid 6    and name HE3 ))
   (( segid "RW16" and resid 6    and name HZ3 ))
 ASSI {  447}
   (( segid "RW16" and resid 11   and name HE3 ))
   (( segid "RW16" and resid 15   and name HD1 ))
      3.300     1.400     1.400 peak   447 spectrum    1 weight  0.10000E+01 volume  0.93635E-03 ppm1      7.342 ppm2      2.661 CV     1
 OR {  447}
   (( segid "RW16" and resid 11   and name HE3 ))
   (( segid "RW16" and resid 15   and name HD2 ))
 OR {  447}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 14   and name HB1 ))
 OR {  447}
   (( segid "RW16" and resid 11   and name HZ2 ))
   (( segid "RW16" and resid 15   and name HD1 ))
 OR {  447}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 15   and name HD1 ))
 OR {  447}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 15   and name HD2 ))
 ASSI {  451}
   (( segid "RW16" and resid 11   and name HE3 ))
   (( segid "RW16" and resid 11   and name HB2 ))
      3.100     1.200     1.200 peak   451 spectrum    1 weight  0.10000E+01 volume  0.17181E-02 ppm1      7.358 ppm2      2.929 CV     1
 OR {  451}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 13   and name HD2 ))
 OR {  451}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 13   and name HD1 ))
 OR {  451}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 11   and name HB2 ))
 OR {  451}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 14   and name HB2 ))
 OR {  451}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 10   and name HB2 ))
 ASSI {  452}
   (( segid "RW16" and resid 11   and name HE3 ))
   (( segid "RW16" and resid 11   and name HB1 ))
      3.000     1.100     1.100 peak   452 spectrum    1 weight  0.10000E+01 volume  0.13012E-02 ppm1      7.358 ppm2      2.772 CV     1
 OR {  452}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 11   and name HB1 ))
 ASSI {  454}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 13   and name HB1 ))
      2.600     0.800     0.800 peak   454 spectrum    1 weight  0.10000E+01 volume  0.35326E-02 ppm1      7.361 ppm2      1.650 CV     1
 OR {  454}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 12   and name HB2 ))
 OR {  454}
   (( segid "RW16" and resid 1    and name HE  ))
   (( segid "RW16" and resid 1    and name HB1 ))
 OR {  454}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 13   and name HB2 ))
 OR {  454}
   (( segid "RW16" and resid 1    and name HE  ))
   (( segid "RW16" and resid 1    and name HB2 ))
 ASSI {  455}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 13   and name HG2 ))
      3.000     1.100     1.100 peak   455 spectrum    1 weight  0.10000E+01 volume  0.14653E-02 ppm1      7.361 ppm2      1.425 CV     1
 OR {  455}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 13   and name HG1 ))
 OR {  455}
   (( segid "RW16" and resid 11   and name HE3 ))
   (( segid "RW16" and resid 15   and name HB2 ))
 OR {  455}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 12   and name HG1 ))
 OR {  455}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 12   and name HG2 ))
 ASSI {  457}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 14   and name HN  ))
      2.600     0.900     0.900 peak   457 spectrum    1 weight  0.10000E+01 volume  0.30254E-02 ppm1      7.362 ppm2      7.830 CV     1
 OR {  457}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 10   and name HN  ))
 ASSI {  458}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 12   and name HB1 ))
      3.200     1.300     1.300 peak   458 spectrum    1 weight  0.10000E+01 volume  0.86071E-03 ppm1      7.362 ppm2      1.569 CV     1
 OR {  458}
   (( segid "RW16" and resid 11   and name HE3 ))
   (( segid "RW16" and resid 12   and name HB1 ))
 OR {  458}
   (( segid "RW16" and resid 3    and name HE3 ))
   (( segid "RW16" and resid 4    and name HB1 ))
 ASSI {  459}
   (( segid "RW16" and resid 11   and name HE3 ))
   (( segid "RW16" and resid 15   and name HB1 ))
      3.700     1.700     1.700 peak   459 spectrum    1 weight  0.10000E+01 volume  0.45547E-03 ppm1      7.363 ppm2      1.289 CV     1
 OR {  459}
   (( segid "RW16" and resid 3    and name HE3 ))
   (( segid "RW16" and resid 4    and name HG2 ))
 OR {  459}
   (( segid "RW16" and resid 3    and name HE3 ))
   (( segid "RW16" and resid 4    and name HG1 ))
 OR {  459}
   (( segid "RW16" and resid 11   and name HZ2 ))
   (( segid "RW16" and resid 15   and name HB1 ))
 OR {  459}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 9    and name HG2 ))
 OR {  459}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 9    and name HG1 ))
 ASSI {  461}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 13   and name HB1 ))
      2.400     0.700     0.700 peak   461 spectrum    1 weight  0.10000E+01 volume  0.51391E-02 ppm1      7.365 ppm2      1.702 CV     1
 OR {  461}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 12   and name HB2 ))
 OR {  461}
   (( segid "RW16" and resid 13   and name HN  ))
   (( segid "RW16" and resid 13   and name HB2 ))
 OR {  461}
   (( segid "RW16" and resid 11   and name HE3 ))
   (( segid "RW16" and resid 16   and name HB2 ))
 ASSI {  463}
   (( segid "RW16" and resid 3    and name HE3 ))
   (( segid "RW16" and resid 4    and name HA  ))
      3.000     1.100     1.100 peak   463 spectrum    1 weight  0.10000E+01 volume  0.16190E-02 ppm1      7.382 ppm2      3.762 CV     1
 OR {  463}
   (( segid "RW16" and resid 7    and name HE3 ))
   (( segid "RW16" and resid 4    and name HA  ))
 ASSI {  464}
   (( segid "RW16" and resid 7    and name HE3 ))
   (( segid "RW16" and resid 7    and name HA  ))
      3.300     1.300     1.300 peak   464 spectrum    1 weight  0.10000E+01 volume  0.98471E-03 ppm1      7.394 ppm2      4.240 CV     1
 OR {  464}
   (( segid "RW16" and resid 6    and name HE3 ))
   (( segid "RW16" and resid 6    and name HA  ))
 ASSI {  465}
   (( segid "RW16" and resid 4    and name HE  ))
   (( segid "RW16" and resid 4    and name HD1 ))
      2.900     1.100     1.100 peak   465 spectrum    1 weight  0.10000E+01 volume  0.15245E-02 ppm1      7.397 ppm2      3.034 CV     1
 OR {  465}
   (( segid "RW16" and resid 1    and name HE  ))
   (( segid "RW16" and resid 1    and name HD1 ))
 OR {  465}
   (( segid "RW16" and resid 1    and name HE  ))
   (( segid "RW16" and resid 1    and name HD2 ))
 OR {  465}
   (( segid "RW16" and resid 4    and name HE  ))
   (( segid "RW16" and resid 4    and name HD2 ))
 ASSI {  468}
   (( segid "RW16" and resid 7    and name HE3 ))
   (( segid "RW16" and resid 7    and name HN  ))
      4.100     2.100     1.900 peak   468 spectrum    1 weight  0.10000E+01 volume  0.41887E-03 ppm1      7.411 ppm2      8.103 CV     1
 OR {  468}
   (( segid "RW16" and resid 4    and name HE  ))
   (( segid "RW16" and resid 7    and name HN  ))
 ASSI {  476}
   (( segid "RW16" and resid 16   and name HN  ))
   (( segid "RW16" and resid 14   and name HE3 ))
      3.300     1.300     1.300 peak   476 spectrum    1 weight  0.10000E+01 volume  0.11271E-02 ppm1      7.520 ppm2      7.113 CV     1
 OR {  476}
   (( segid "RW16" and resid 16   and name HN  ))
   (( segid "RW16" and resid 16   and name HE  ))
 OR {  476}
   (( segid "RW16" and resid 9    and name HN  ))
   (( segid "RW16" and resid 6    and name HD1 ))
 OR {  476}
   (( segid "RW16" and resid 16   and name HN  ))
   (( segid "RW16" and resid 15   and name HE  ))
 ASSI {  478}
   (( segid "RW16" and resid 16   and name HN  ))
   (( segid "RW16" and resid 13   and name HA  ))
      3.000     3.000     3.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.13495E-02 ppm1      7.525 ppm2      3.901 CV     1
 OR {  478}
   (( segid "RW16" and resid 12   and name HN  ))
   (( segid "RW16" and resid 13   and name HA  ))
 OR {  478}
   (( segid "RW16" and resid 9    and name HN  ))
   (( segid "RW16" and resid 5    and name HA  ))
 ASSI {  482}
   (( segid "RW16" and resid 12   and name HN  ))
   (( segid "RW16" and resid 11   and name HB2 ))
      3.000     1.100     1.100 peak   482 spectrum    1 weight  0.10000E+01 volume  0.28062E-02 ppm1      7.539 ppm2      2.928 CV     1
 OR {  482}
   (( segid "RW16" and resid 9    and name HN  ))
   (( segid "RW16" and resid 9    and name HD1 ))
 OR {  482}
   (( segid "RW16" and resid 9    and name HN  ))
   (( segid "RW16" and resid 9    and name HD2 ))
 OR {  482}
   (( segid "RW16" and resid 9    and name HN  ))
   (( segid "RW16" and resid 10   and name HB2 ))
 ASSI {  483}
   (( segid "RW16" and resid 9    and name HN  ))
   (( segid "RW16" and resid 9    and name HB1 ))
      2.800     1.000     1.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.18799E-02 ppm1      7.540 ppm2      1.472 CV     1
 OR {  483}
   (( segid "RW16" and resid 16   and name HN  ))
   (( segid "RW16" and resid 15   and name HB2 ))
 OR {  483}
   (( segid "RW16" and resid 12   and name HN  ))
   (( segid "RW16" and resid 12   and name HG2 ))
 OR {  483}
   (( segid "RW16" and resid 12   and name HN  ))
   (( segid "RW16" and resid 12   and name HG1 ))
 OR {  483}
   (( segid "RW16" and resid 16   and name HN  ))
   (( segid "RW16" and resid 16   and name HG2 ))
 ASSI {  487}
   (( segid "RW16" and resid 9    and name HN  ))
   (( segid "RW16" and resid 9    and name HB2 ))
      2.400     0.700     0.700 peak   487 spectrum    1 weight  0.10000E+01 volume  0.50799E-02 ppm1      7.548 ppm2      1.710 CV     1
 OR {  487}
   (( segid "RW16" and resid 16   and name HN  ))
   (( segid "RW16" and resid 16   and name HB2 ))
 OR {  487}
   (( segid "RW16" and resid 12   and name HN  ))
   (( segid "RW16" and resid 12   and name HB2 ))
 OR {  487}
   (( segid "RW16" and resid 16   and name HN  ))
   (( segid "RW16" and resid 16   and name HB1 ))
 ASSI {  488}
   (( segid "RW16" and resid 16   and name HN  ))
   (( segid "RW16" and resid 15   and name HB2 ))
      3.000     1.100     1.100 peak   488 spectrum    1 weight  0.10000E+01 volume  0.13226E-02 ppm1      7.549 ppm2      1.405 CV     1
 OR {  488}
   (( segid "RW16" and resid 9    and name HN  ))
   (( segid "RW16" and resid 8    and name HG1 ))
 OR {  488}
   (( segid "RW16" and resid 9    and name HN  ))
   (( segid "RW16" and resid 8    and name HG2 ))
 ASSI {  490}
   (( segid "RW16" and resid 16   and name HN  ))
   (( segid "RW16" and resid 15   and name HB1 ))
      3.700     1.700     1.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.49649E-03 ppm1      7.551 ppm2      1.359 CV     1
 OR {  490}
   (( segid "RW16" and resid 9    and name HN  ))
   (( segid "RW16" and resid 8    and name HG1 ))
 OR {  490}
   (( segid "RW16" and resid 9    and name HN  ))
   (( segid "RW16" and resid 8    and name HG2 ))
 ASSI {  491}
   (( segid "RW16" and resid 9    and name HN  ))
   (( segid "RW16" and resid 9    and name HB1 ))
      2.800     0.900     0.900 peak   491 spectrum    1 weight  0.10000E+01 volume  0.27242E-02 ppm1      7.552 ppm2      1.498 CV     1
 OR {  491}
   (( segid "RW16" and resid 12   and name HN  ))
   (( segid "RW16" and resid 12   and name HG2 ))
 OR {  491}
   (( segid "RW16" and resid 12   and name HN  ))
   (( segid "RW16" and resid 12   and name HG1 ))
 OR {  491}
   (( segid "RW16" and resid 16   and name HN  ))
   (( segid "RW16" and resid 16   and name HG2 ))
 OR {  491}
   (( segid "RW16" and resid 16   and name HN  ))
   (( segid "RW16" and resid 16   and name HG1 ))
 ASSI {  492}
   (( segid "RW16" and resid 16   and name HN  ))
   (( segid "RW16" and resid 14   and name HB2 ))
      2.900     2.900     3.100 peak   492 spectrum    1 weight  0.10000E+01 volume  0.18003E-02 ppm1      7.554 ppm2      2.874 CV     1
 OR {  492}
   (( segid "RW16" and resid 12   and name HN  ))
   (( segid "RW16" and resid 13   and name HD2 ))
 OR {  492}
   (( segid "RW16" and resid 12   and name HN  ))
   (( segid "RW16" and resid 13   and name HD1 ))
 OR {  492}
   (( segid "RW16" and resid 12   and name HN  ))
   (( segid "RW16" and resid 14   and name HB2 ))
 OR {  492}
   (( segid "RW16" and resid 9    and name HN  ))
   (( segid "RW16" and resid 13   and name HD2 ))
 OR {  492}
   (( segid "RW16" and resid 9    and name HN  ))
   (( segid "RW16" and resid 13   and name HD1 ))
 ASSI {  494}
   (( segid "RW16" and resid 16   and name HN  ))
   (( segid "RW16" and resid 15   and name HB1 ))
      3.000     1.100     1.100 peak   494 spectrum    1 weight  0.10000E+01 volume  0.19904E-02 ppm1      7.554 ppm2      1.287 CV     1
 OR {  494}
   (( segid "RW16" and resid 9    and name HN  ))
   (( segid "RW16" and resid 9    and name HG1 ))
 OR {  494}
   (( segid "RW16" and resid 9    and name HN  ))
   (( segid "RW16" and resid 9    and name HG2 ))
 ASSI {  496}
   (( segid "RW16" and resid 3    and name HN  ))
   (( segid "RW16" and resid 2    and name HG1 ))
      3.200     1.200     1.200 peak   496 spectrum    1 weight  0.10000E+01 volume  0.11387E-02 ppm1      7.575 ppm2      1.253 CV     1
 OR {  496}
   (( segid "RW16" and resid 9    and name HN  ))
   (( segid "RW16" and resid 9    and name HG1 ))
 OR {  496}
   (( segid "RW16" and resid 9    and name HN  ))
   (( segid "RW16" and resid 9    and name HG2 ))
 OR {  496}
   (( segid "RW16" and resid 3    and name HN  ))
   (( segid "RW16" and resid 2    and name HG2 ))
 ASSI {  502}
   (( segid "RW16" and resid 3    and name HN  ))
   (( segid "RW16" and resid 2    and name HB2 ))
      3.000     1.200     1.200 peak   502 spectrum    1 weight  0.10000E+01 volume  0.10888E-02 ppm1      7.629 ppm2      1.508 CV     1
 OR {  502}
   (( segid "RW16" and resid 3    and name HN  ))
   (( segid "RW16" and resid 4    and name HB1 ))
 ASSI {  506}
   (( segid "RW16" and resid 15   and name HN  ))
   (( segid "RW16" and resid 14   and name HE3 ))
      2.900     1.000     1.000 peak   506 spectrum    1 weight  0.10000E+01 volume  0.18373E-02 ppm1      7.697 ppm2      7.155 CV     1
 OR {  506}
   (( segid "RW16" and resid 6    and name HN  ))
   (( segid "RW16" and resid 6    and name HD1 ))
 OR {  506}
   (( segid "RW16" and resid 15   and name HN  ))
   (( segid "RW16" and resid 15   and name HE  ))
 ASSI {  517}
   (( segid "RW16" and resid 15   and name HN  ))
   (( segid "RW16" and resid 15   and name HB2 ))
      2.600     0.900     0.900 peak   517 spectrum    1 weight  0.10000E+01 volume  0.23495E-02 ppm1      7.730 ppm2      1.412 CV     1
 OR {  517}
   (( segid "RW16" and resid 6    and name HN  ))
   (( segid "RW16" and resid 5    and name HG2 ))
 ASSI {  518}
   (( segid "RW16" and resid 15   and name HN  ))
   (( segid "RW16" and resid 15   and name HB1 ))
      2.700     0.900     0.900 peak   518 spectrum    1 weight  0.10000E+01 volume  0.35326E-02 ppm1      7.730 ppm2      1.292 CV     1
 OR {  518}
   (( segid "RW16" and resid 4    and name HN  ))
   (( segid "RW16" and resid 4    and name HG2 ))
 OR {  518}
   (( segid "RW16" and resid 4    and name HN  ))
   (( segid "RW16" and resid 4    and name HG1 ))
 ASSI {  519}
   (( segid "RW16" and resid 6    and name HN  ))
   (( segid "RW16" and resid 5    and name HB2 ))
      2.800     1.000     1.000 peak   519 spectrum    1 weight  0.10000E+01 volume  0.20243E-02 ppm1      7.731 ppm2      1.661 CV     1
 OR {  519}
   (( segid "RW16" and resid 6    and name HN  ))
   (( segid "RW16" and resid 5    and name HB1 ))
 OR {  519}
   (( segid "RW16" and resid 4    and name HN  ))
   (( segid "RW16" and resid 1    and name HB2 ))
 OR {  519}
   (( segid "RW16" and resid 4    and name HN  ))
   (( segid "RW16" and resid 1    and name HB1 ))
 ASSI {  523}
   (( segid "RW16" and resid 15   and name HN  ))
   (( segid "RW16" and resid 15   and name HD2 ))
      2.800     1.000     1.000 peak   523 spectrum    1 weight  0.10000E+01 volume  0.15218E-02 ppm1      7.744 ppm2      2.668 CV     1
 OR {  523}
   (( segid "RW16" and resid 15   and name HN  ))
   (( segid "RW16" and resid 14   and name HB1 ))
 OR {  523}
   (( segid "RW16" and resid 15   and name HN  ))
   (( segid "RW16" and resid 15   and name HD1 ))
 ASSI {  524}
   (( segid "RW16" and resid 4    and name HN  ))
   (( segid "RW16" and resid 2    and name HA  ))
      3.200     1.300     1.300 peak   524 spectrum    1 weight  0.10000E+01 volume  0.10454E-02 ppm1      7.752 ppm2      3.998 CV     1
 OR {  524}
   (( segid "RW16" and resid 15   and name HN  ))
   (( segid "RW16" and resid 16   and name HA  ))
 ASSI {  526}
   (( segid "RW16" and resid 4    and name HN  ))
   (( segid "RW16" and resid 4    and name HB1 ))
      2.600     0.900     0.900 peak   526 spectrum    1 weight  0.10000E+01 volume  0.35552E-02 ppm1      7.777 ppm2      1.563 CV     1
 OR {  526}
   (( segid "RW16" and resid 8    and name HN  ))
   (( segid "RW16" and resid 8    and name HB2 ))
 ASSI {  529}
   (( segid "RW16" and resid 5    and name HN  ))
   (( segid "RW16" and resid 2    and name HA  ))
      3.100     1.200     1.200 peak   529 spectrum    1 weight  0.10000E+01 volume  0.10953E-02 ppm1      7.793 ppm2      3.999 CV     1
 OR {  529}
   (( segid "RW16" and resid 4    and name HN  ))
   (( segid "RW16" and resid 2    and name HA  ))
 ASSI {  534}
   (( segid "RW16" and resid 10   and name HN  ))
   (( segid "RW16" and resid 10   and name HD1 ))
      3.200     1.200     1.200 peak   534 spectrum    1 weight  0.10000E+01 volume  0.15451E-02 ppm1      7.800 ppm2      6.621 CV     1
 OR {  534}
   (( segid "RW16" and resid 4    and name HN  ))
   (( segid "RW16" and resid 3    and name HZ3 ))
 OR {  534}
   (( segid "RW16" and resid 14   and name HN  ))
   (( segid "RW16" and resid 10   and name HD1 ))
 OR {  534}
   (( segid "RW16" and resid 8    and name HN  ))
   (( segid "RW16" and resid 10   and name HD1 ))
 OR {  534}
   (( segid "RW16" and resid 4    and name HN  ))
   (( segid "RW16" and resid 6    and name HZ3 ))
 ASSI {  536}
   (( segid "RW16" and resid 8    and name HN  ))
   (( segid "RW16" and resid 9    and name HN  ))
      2.400     0.700     0.700 peak   536 spectrum    1 weight  0.10000E+01 volume  0.54032E-02 ppm1      7.803 ppm2      7.548 CV     1
 OR {  536}
   (( segid "RW16" and resid 10   and name HN  ))
   (( segid "RW16" and resid 9    and name HN  ))
 ASSI {  537}
   (( segid "RW16" and resid 10   and name HN  ))
   (( segid "RW16" and resid 10   and name HB2 ))
      2.800     1.000     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.35574E-02 ppm1      7.804 ppm2      2.991 CV     1
 OR {  537}
   (( segid "RW16" and resid 8    and name HN  ))
   (( segid "RW16" and resid 8    and name HD1 ))
 OR {  537}
   (( segid "RW16" and resid 8    and name HN  ))
   (( segid "RW16" and resid 8    and name HD2 ))
 OR {  537}
   (( segid "RW16" and resid 4    and name HN  ))
   (( segid "RW16" and resid 4    and name HD1 ))
 OR {  537}
   (( segid "RW16" and resid 4    and name HN  ))
   (( segid "RW16" and resid 4    and name HD2 ))
 OR {  537}
   (( segid "RW16" and resid 5    and name HN  ))
   (( segid "RW16" and resid 5    and name HD2 ))
 OR {  537}
   (( segid "RW16" and resid 5    and name HN  ))
   (( segid "RW16" and resid 5    and name HD1 ))
 ASSI {  542}
   (( segid "RW16" and resid 10   and name HN  ))
   (( segid "RW16" and resid 9    and name HB1 ))
      2.900     1.100     1.100 peak   542 spectrum    1 weight  0.10000E+01 volume  0.17082E-02 ppm1      7.809 ppm2      1.494 CV     1
 OR {  542}
   (( segid "RW16" and resid 5    and name HN  ))
   (( segid "RW16" and resid 5    and name HG1 ))
 OR {  542}
   (( segid "RW16" and resid 5    and name HN  ))
   (( segid "RW16" and resid 5    and name HG2 ))
 OR {  542}
   (( segid "RW16" and resid 4    and name HN  ))
   (( segid "RW16" and resid 2    and name HB2 ))
 OR {  542}
   (( segid "RW16" and resid 4    and name HN  ))
   (( segid "RW16" and resid 1    and name HG1 ))
 OR {  542}
   (( segid "RW16" and resid 8    and name HN  ))
   (( segid "RW16" and resid 9    and name HB1 ))
 ASSI {  544}
   (( segid "RW16" and resid 5    and name HN  ))
   (( segid "RW16" and resid 5    and name HB1 ))
      2.300     0.700     0.700 peak   544 spectrum    1 weight  0.10000E+01 volume  0.57336E-02 ppm1      7.813 ppm2      1.660 CV     1
 OR {  544}
   (( segid "RW16" and resid 14   and name HN  ))
   (( segid "RW16" and resid 13   and name HB1 ))
 OR {  544}
   (( segid "RW16" and resid 5    and name HN  ))
   (( segid "RW16" and resid 5    and name HB2 ))
 OR {  544}
   (( segid "RW16" and resid 14   and name HN  ))
   (( segid "RW16" and resid 13   and name HB2 ))
 OR {  544}
   (( segid "RW16" and resid 8    and name HN  ))
   (( segid "RW16" and resid 8    and name HB1 ))
 OR {  544}
   (( segid "RW16" and resid 10   and name HN  ))
   (( segid "RW16" and resid 9    and name HB2 ))
 ASSI {  545}
   (( segid "RW16" and resid 4    and name HN  ))
   (( segid "RW16" and resid 4    and name HG2 ))
      2.900     1.100     1.100 peak   545 spectrum    1 weight  0.10000E+01 volume  0.17339E-02 ppm1      7.813 ppm2      1.293 CV     1
 OR {  545}
   (( segid "RW16" and resid 4    and name HN  ))
   (( segid "RW16" and resid 4    and name HG1 ))
 OR {  545}
   (( segid "RW16" and resid 10   and name HN  ))
   (( segid "RW16" and resid 9    and name HG2 ))
 OR {  545}
   (( segid "RW16" and resid 10   and name HN  ))
   (( segid "RW16" and resid 9    and name HG1 ))
 OR {  545}
   (( segid "RW16" and resid 5    and name HN  ))
   (( segid "RW16" and resid 4    and name HG2 ))
 OR {  545}
   (( segid "RW16" and resid 5    and name HN  ))
   (( segid "RW16" and resid 4    and name HG1 ))
 ASSI {  546}
   (( segid "RW16" and resid 8    and name HN  ))
   (( segid "RW16" and resid 7    and name HD1 ))
      3.000     1.100     1.100 peak   546 spectrum    1 weight  0.10000E+01 volume  0.15816E-02 ppm1      7.813 ppm2      7.038 CV     1
 OR {  546}
   (( segid "RW16" and resid 4    and name HN  ))
   (( segid "RW16" and resid 3    and name HD1 ))
 ASSI {  548}
   (( segid "RW16" and resid 14   and name HN  ))
   (( segid "RW16" and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   548 spectrum    1 weight  0.10000E+01 volume  0.39718E-02 ppm1      7.820 ppm2      7.354 CV     1
 OR {  548}
   (( segid "RW16" and resid 4    and name HN  ))
   (( segid "RW16" and resid 3    and name HE3 ))
 OR {  548}
   (( segid "RW16" and resid 10   and name HN  ))
   (( segid "RW16" and resid 13   and name HN  ))
 ASSI {  562}
   (( segid "RW16" and resid 7    and name HN  ))
   (( segid "RW16" and resid 6    and name HE3 ))
      2.800     1.000     1.000 peak   562 spectrum    1 weight  0.10000E+01 volume  0.24506E-02 ppm1      8.106 ppm2      7.337 CV     1
 OR {  562}
   (( segid "RW16" and resid 7    and name HN  ))
   (( segid "RW16" and resid 3    and name HE3 ))
 ASSI {  567}
   (( segid "RW16" and resid 11   and name HN  ))
   (( segid "RW16" and resid 10   and name HE3 ))
      3.200     3.200     2.800 peak   567 spectrum    1 weight  0.10000E+01 volume  0.12240E-02 ppm1      8.310 ppm2      7.199 CV     1
 OR {  567}
   (( segid "RW16" and resid 11   and name HN  ))
   (( segid "RW16" and resid 13   and name HE  ))
 ASSI {  569}
   (( segid "RW16" and resid 11   and name HN  ))
   (( segid "RW16" and resid 11   and name HB1 ))
      2.900     1.000     1.000 peak   569 spectrum    1 weight  0.10000E+01 volume  0.21926E-02 ppm1      8.315 ppm2      2.771 CV     1
 OR {  569}
   (( segid "RW16" and resid 11   and name HN  ))
   (( segid "RW16" and resid 10   and name HB1 ))
 ASSI {  574}
   (( segid "RW16" and resid 11   and name HN  ))
   (( segid "RW16" and resid 13   and name HN  ))
      3.500     1.500     1.500 peak   574 spectrum    1 weight  0.10000E+01 volume  0.65940E-03 ppm1      8.324 ppm2      7.356 CV     1
 OR {  574}
   (( segid "RW16" and resid 11   and name HN  ))
   (( segid "RW16" and resid 11   and name HE3 ))
 ASSI {  581}
   (( segid "RW16" and resid 2    and name HN  ))
   (( segid "RW16" and resid 2    and name HB1 ))
      2.600     0.800     0.800 peak   581 spectrum    1 weight  0.10000E+01 volume  0.36177E-02 ppm1      8.472 ppm2      1.588 CV     1
 OR {  581}
   (( segid "RW16" and resid 2    and name HN  ))
   (( segid "RW16" and resid 1    and name HB2 ))
 OR {  581}
   (( segid "RW16" and resid 2    and name HN  ))
   (( segid "RW16" and resid 1    and name HB1 ))
 ASSI {  588}
   (( segid "RW16" and resid 2    and name HN  ))
   (( segid "RW16" and resid 2    and name HB2 ))
      2.900     1.000     1.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.19367E-02 ppm1      8.488 ppm2      1.511 CV     1
 OR {  588}
   (( segid "RW16" and resid 2    and name HN  ))
   (( segid "RW16" and resid 1    and name HG2 ))
 ASSI {  595}
   (( segid "RW16" and resid 7    and name HE1 ))
   (( segid "RW16" and resid 8    and name HA  ))
      3.800     1.800     1.800 peak   595 spectrum    1 weight  0.10000E+01 volume  0.50589E-03 ppm1      9.644 ppm2      3.762 CV     1
 OR {  595}
   (( segid "RW16" and resid 7    and name HE1 ))
   (( segid "RW16" and resid 4    and name HA  ))

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ARG   1           HN       ARG   1 -11.118  -1.042   3.101
    2    HA   ARG   1           HA       ARG   1 -11.702   0.895   0.964
    3    HB2  ARG   1           HB2      ARG   1  -9.295   0.800   2.805
    4    HB3  ARG   1           HB3      ARG   1  -9.699   2.082   1.671
    5    HG2  ARG   1           HG2      ARG   1 -11.279   1.315   4.114
    6    HG3  ARG   1           HG3      ARG   1 -10.230   2.726   3.948
    7    HD2  ARG   1           HD2      ARG   1 -11.653   3.636   2.236
    8    HD3  ARG   1           HD3      ARG   1 -12.653   2.184   2.240
    9    HE   ARG   1           HE       ARG   1 -12.990   2.896   4.726
   10   HH11  ARG   1          HH11      ARG   1 -12.748   5.005   1.951
   11   HH12  ARG   1          HH12      ARG   1 -13.819   6.204   2.594
   12   HH21  ARG   1          HH21      ARG   1 -14.408   4.465   5.594
   13   HH22  ARG   1          HH22      ARG   1 -14.754   5.909   4.684
   14    H    ARG   2           HN       ARG   2 -11.478  -0.297  -0.873
   15    HA   ARG   2           HA       ARG   2  -9.761  -2.459  -1.191
   16    HB2  ARG   2           HB2      ARG   2 -10.384  -2.518  -3.464
   17    HB3  ARG   2           HB3      ARG   2 -11.778  -1.908  -2.589
   18    HG2  ARG   2           HG2      ARG   2  -9.825  -0.130  -4.023
   19    HG3  ARG   2           HG3      ARG   2 -11.261  -0.803  -4.786
   20    HD2  ARG   2           HD2      ARG   2 -12.644   0.301  -3.069
   21    HD3  ARG   2           HD3      ARG   2 -11.187   1.029  -2.392
   22    HE   ARG   2           HE       ARG   2 -11.030   1.854  -4.917
   23   HH11  ARG   2          HH11      ARG   2 -13.777   1.807  -2.733
   24   HH12  ARG   2          HH12      ARG   2 -14.519   3.209  -3.437
   25   HH21  ARG   2          HH21      ARG   2 -11.995   3.686  -5.828
   26   HH22  ARG   2          HH22      ARG   2 -13.517   4.264  -5.221
   27    H    TRP   3           HN       TRP   3  -9.159   0.932  -1.782
   28    HA   TRP   3           HA       TRP   3  -6.806   0.472  -3.320
   29    HB2  TRP   3           HB2      TRP   3  -6.385   2.910  -3.033
   30    HB3  TRP   3           HB3      TRP   3  -7.978   2.531  -3.675
   31    HD1  TRP   3           HD1      TRP   3 -10.079   2.871  -1.964
   32    HE1  TRP   3           HE1      TRP   3 -10.364   4.519  -0.007
   33    HE3  TRP   3           HE3      TRP   3  -5.169   4.068  -1.195
   34    HZ2  TRP   3           HZ2      TRP   3  -8.718   6.105   1.653
   35    HZ3  TRP   3           HZ3      TRP   3  -4.610   5.657   0.591
   36    HH2  TRP   3           HH2      TRP   3  -6.348   6.657   1.989
   37    H    ARG   4           HN       ARG   4  -7.449   0.884   0.081
   38    HA   ARG   4           HA       ARG   4  -4.823   1.344   0.956
   39    HB2  ARG   4           HB2      ARG   4  -7.212   0.137   2.321
   40    HB3  ARG   4           HB3      ARG   4  -5.663   0.326   3.133
   41    HG2  ARG   4           HG2      ARG   4  -7.221   2.581   1.884
   42    HG3  ARG   4           HG3      ARG   4  -7.261   2.162   3.596
   43    HD2  ARG   4           HD2      ARG   4  -4.792   2.974   2.052
   44    HD3  ARG   4           HD3      ARG   4  -5.723   4.034   3.110
   45    HE   ARG   4           HE       ARG   4  -3.975   1.835   3.930
   46   HH11  ARG   4          HH11      ARG   4  -6.278   4.306   4.847
   47   HH12  ARG   4          HH12      ARG   4  -5.743   4.373   6.499
   48   HH21  ARG   4          HH21      ARG   4  -3.286   1.881   6.103
   49   HH22  ARG   4          HH22      ARG   4  -4.050   2.976   7.224
   50    H    ARG   5           HN       ARG   5  -6.475  -1.538  -0.008
   51    HA   ARG   5           HA       ARG   5  -4.751  -3.491   0.993
   52    HB2  ARG   5           HB2      ARG   5  -6.869  -4.043  -0.086
   53    HB3  ARG   5           HB3      ARG   5  -6.275  -3.426  -1.621
   54    HG2  ARG   5           HG2      ARG   5  -4.591  -5.196  -1.675
   55    HG3  ARG   5           HG3      ARG   5  -5.207  -5.821  -0.143
   56    HD2  ARG   5           HD2      ARG   5  -7.377  -6.246  -1.173
   57    HD3  ARG   5           HD3      ARG   5  -6.805  -5.569  -2.696
   58    HE   ARG   5           HE       ARG   5  -5.304  -7.825  -1.652
   59   HH11  ARG   5          HH11      ARG   5  -7.873  -6.756  -3.777
   60   HH12  ARG   5          HH12      ARG   5  -7.761  -8.132  -4.829
   61   HH21  ARG   5          HH21      ARG   5  -5.171  -9.660  -3.011
   62   HH22  ARG   5          HH22      ARG   5  -6.239  -9.795  -4.383
   63    H    TRP   6           HN       TRP   6  -4.629  -1.761  -2.117
   64    HA   TRP   6           HA       TRP   6  -2.087  -2.839  -2.865
   65    HB2  TRP   6           HB2      TRP   6  -3.373  -0.322  -3.933
   66    HB3  TRP   6           HB3      TRP   6  -2.191  -1.346  -4.740
   67    HD1  TRP   6           HD1      TRP   6  -3.396  -4.139  -4.712
   68    HE1  TRP   6           HE1      TRP   6  -5.632  -4.678  -5.840
   69    HE3  TRP   6           HE3      TRP   6  -5.408   0.556  -4.829
   70    HZ2  TRP   6           HZ2      TRP   6  -7.955  -3.309  -6.674
   71    HZ3  TRP   6           HZ3      TRP   6  -7.645   0.856  -5.808
   72    HH2  TRP   6           HH2      TRP   6  -8.893  -1.040  -6.713
   73    H    TRP   7           HN       TRP   7  -3.224  -0.002  -1.213
   74    HA   TRP   7           HA       TRP   7  -1.055   1.698  -1.204
   75    HB2  TRP   7           HB2      TRP   7  -3.269   2.198  -0.245
   76    HB3  TRP   7           HB3      TRP   7  -2.949   1.089   1.080
   77    HD1  TRP   7           HD1      TRP   7  -1.208   1.919   2.969
   78    HE1  TRP   7           HE1      TRP   7  -0.482   4.290   3.655
   79    HE3  TRP   7           HE3      TRP   7  -2.776   4.484  -1.167
   80    HZ2  TRP   7           HZ2      TRP   7  -0.585   6.897   2.600
   81    HZ3  TRP   7           HZ3      TRP   7  -2.431   6.916  -1.249
   82    HH2  TRP   7           HH2      TRP   7  -1.354   8.095   0.600
   83    H    ARG   8           HN       ARG   8  -1.716  -0.865   1.223
   84    HA   ARG   8           HA       ARG   8   0.783  -0.432   2.501
   85    HB2  ARG   8           HB2      ARG   8   0.294  -2.379   3.850
   86    HB3  ARG   8           HB3      ARG   8  -1.129  -1.360   3.723
   87    HG2  ARG   8           HG2      ARG   8  -2.154  -2.878   2.183
   88    HG3  ARG   8           HG3      ARG   8  -0.675  -3.840   2.077
   89    HD2  ARG   8           HD2      ARG   8  -0.865  -4.352   4.476
   90    HD3  ARG   8           HD3      ARG   8  -2.366  -3.431   4.545
   91    HE   ARG   8           HE       ARG   8  -3.346  -5.110   3.081
   92   HH11  ARG   8          HH11      ARG   8  -0.315  -5.898   4.606
   93   HH12  ARG   8          HH12      ARG   8  -0.573  -7.613   4.570
   94   HH21  ARG   8          HH21      ARG   8  -3.717  -7.395   3.024
   95   HH22  ARG   8          HH22      ARG   8  -2.513  -8.459   3.672
   96    H    ARG   9           HN       ARG   9  -0.280  -2.543  -0.083
   97    HA   ARG   9           HA       ARG   9   1.931  -4.251  -0.288
   98    HB2  ARG   9           HB2      ARG   9   0.033  -3.092  -2.289
   99    HB3  ARG   9           HB3      ARG   9   1.386  -4.067  -2.829
  100    HG2  ARG   9           HG2      ARG   9   0.555  -5.943  -1.512
  101    HG3  ARG   9           HG3      ARG   9  -0.806  -4.954  -0.967
  102    HD2  ARG   9           HD2      ARG   9  -1.695  -4.803  -3.150
  103    HD3  ARG   9           HD3      ARG   9  -0.212  -5.413  -3.876
  104    HE   ARG   9           HE       ARG   9  -1.446  -7.308  -2.110
  105   HH11  ARG   9          HH11      ARG   9  -1.516  -5.979  -5.361
  106   HH12  ARG   9          HH12      ARG   9  -2.107  -7.456  -6.081
  107   HH21  ARG   9          HH21      ARG   9  -2.230  -9.236  -3.073
  108   HH22  ARG   9          HH22      ARG   9  -2.527  -9.279  -4.785
  109    H    TRP  10           HN       TRP  10   1.320  -1.149  -1.881
  110    HA   TRP  10           HA       TRP  10   3.787  -0.803  -3.118
  111    HB2  TRP  10           HB2      TRP  10   2.256   0.733  -3.860
  112    HB3  TRP  10           HB3      TRP  10   1.560   0.971  -2.260
  113    HD1  TRP  10           HD1      TRP  10   2.418   2.982  -0.857
  114    HE1  TRP  10           HE1      TRP  10   4.075   4.892  -1.287
  115    HE3  TRP  10           HE3      TRP  10   4.545   1.246  -5.151
  116    HZ2  TRP  10           HZ2      TRP  10   6.039   5.572  -3.186
  117    HZ3  TRP  10           HZ3      TRP  10   6.303   2.588  -6.223
  118    HH2  TRP  10           HH2      TRP  10   7.031   4.709  -5.260
  119    H    TRP  11           HN       TRP  11   2.708   0.229   0.088
  120    HA   TRP  11           HA       TRP  11   4.967   1.679   0.854
  121    HB2  TRP  11           HB2      TRP  11   2.599   1.280   1.984
  122    HB3  TRP  11           HB3      TRP  11   3.481   0.032   2.855
  123    HD1  TRP  11           HD1      TRP  11   2.552   3.531   3.174
  124    HE1  TRP  11           HE1      TRP  11   4.032   4.741   4.907
  125    HE3  TRP  11           HE3      TRP  11   6.268   0.074   3.612
  126    HZ2  TRP  11           HZ2      TRP  11   6.462   4.265   6.287
  127    HZ3  TRP  11           HZ3      TRP  11   8.134   0.512   5.160
  128    HH2  TRP  11           HH2      TRP  11   8.233   2.563   6.458
  129    H    ARG  12           HN       ARG  12   4.144  -1.699   1.583
  130    HA   ARG  12           HA       ARG  12   6.508  -2.283   2.984
  131    HB2  ARG  12           HB2      ARG  12   4.289  -3.529   2.988
  132    HB3  ARG  12           HB3      ARG  12   4.813  -4.278   1.487
  133    HG2  ARG  12           HG2      ARG  12   5.198  -5.698   3.442
  134    HG3  ARG  12           HG3      ARG  12   6.696  -5.290   2.606
  135    HD2  ARG  12           HD2      ARG  12   6.903  -5.154   5.060
  136    HD3  ARG  12           HD3      ARG  12   7.215  -3.613   4.261
  137    HE   ARG  12           HE       ARG  12   4.517  -4.080   5.297
  138   HH11  ARG  12          HH11      ARG  12   7.602  -2.452   5.562
  139   HH12  ARG  12          HH12      ARG  12   7.053  -1.355   6.795
  140   HH21  ARG  12          HH21      ARG  12   3.787  -2.608   6.895
  141   HH22  ARG  12          HH22      ARG  12   4.897  -1.436   7.544
  142    H    ARG  13           HN       ARG  13   5.707  -2.429  -0.419
  143    HA   ARG  13           HA       ARG  13   8.028  -3.884  -1.216
  144    HB2  ARG  13           HB2      ARG  13   5.880  -2.387  -2.624
  145    HB3  ARG  13           HB3      ARG  13   7.376  -2.702  -3.485
  146    HG2  ARG  13           HG2      ARG  13   5.612  -4.789  -2.229
  147    HG3  ARG  13           HG3      ARG  13   5.688  -4.397  -3.949
  148    HD2  ARG  13           HD2      ARG  13   7.885  -5.552  -2.233
  149    HD3  ARG  13           HD3      ARG  13   7.036  -6.345  -3.559
  150    HE   ARG  13           HE       ARG  13   8.104  -4.255  -4.819
  151   HH11  ARG  13          HH11      ARG  13   9.505  -6.541  -2.572
  152   HH12  ARG  13          HH12      ARG  13  11.120  -6.357  -3.197
  153   HH21  ARG  13          HH21      ARG  13  10.232  -4.043  -5.676
  154   HH22  ARG  13          HH22      ARG  13  11.527  -4.953  -4.963
  155    H    TRP  14           HN       TRP  14   7.165  -0.450  -1.679
  156    HA   TRP  14           HA       TRP  14   9.748   0.067  -2.792
  157    HB2  TRP  14           HB2      TRP  14   7.567   1.174  -3.471
  158    HB3  TRP  14           HB3      TRP  14   7.722   2.147  -2.010
  159    HD1  TRP  14           HD1      TRP  14   9.248   1.679  -5.476
  160    HE1  TRP  14           HE1      TRP  14  10.787   3.674  -5.992
  161    HE3  TRP  14           HE3      TRP  14   9.208   3.953  -0.885
  162    HZ2  TRP  14           HZ2      TRP  14  11.823   5.921  -4.645
  163    HZ3  TRP  14           HZ3      TRP  14  10.493   6.032  -0.602
  164    HH2  TRP  14           HH2      TRP  14  11.770   6.989  -2.436
  165    H    ARG  15           HN       ARG  15   8.125   1.220   0.173
  166    HA   ARG  15           HA       ARG  15  10.368   2.850   0.857
  167    HB2  ARG  15           HB2      ARG  15   7.792   2.175   2.230
  168    HB3  ARG  15           HB3      ARG  15   9.051   3.067   3.074
  169    HG2  ARG  15           HG2      ARG  15   7.612   4.701   2.232
  170    HG3  ARG  15           HG3      ARG  15   8.975   4.694   1.119
  171    HD2  ARG  15           HD2      ARG  15   7.646   3.193  -0.373
  172    HD3  ARG  15           HD3      ARG  15   6.274   3.425   0.709
  173    HE   ARG  15           HE       ARG  15   7.266   5.276  -1.253
  174   HH11  ARG  15          HH11      ARG  15   5.464   4.967   1.737
  175   HH12  ARG  15          HH12      ARG  15   4.676   6.510   1.577
  176   HH21  ARG  15          HH21      ARG  15   6.236   7.290  -1.477
  177   HH22  ARG  15          HH22      ARG  15   5.115   7.825  -0.254
  178    H    ARG  16           HN       ARG  16   8.841   0.264   2.774
  179    HA   ARG  16           HA       ARG  16  10.674  -1.654   2.769
  180    HB2  ARG  16           HB2      ARG  16  12.348   0.034   3.599
  181    HB3  ARG  16           HB3      ARG  16  11.432   0.090   5.106
  182    HG2  ARG  16           HG2      ARG  16  13.333  -1.449   5.235
  183    HG3  ARG  16           HG3      ARG  16  11.780  -2.265   5.443
  184    HD2  ARG  16           HD2      ARG  16  11.902  -2.674   2.909
  185    HD3  ARG  16           HD3      ARG  16  13.614  -2.287   3.075
  186    HE   ARG  16           HE       ARG  16  13.924  -4.265   4.282
  187   HH11  ARG  16          HH11      ARG  16  10.526  -3.796   3.492
  188   HH12  ARG  16          HH12      ARG  16  10.116  -5.470   3.723
  189   HH21  ARG  16          HH21      ARG  16  13.377  -6.464   4.575
  190   HH22  ARG  16          HH22      ARG  16  11.730  -6.979   4.337
  Start of MODEL    2
    1    H    ARG   1           HN       ARG   1 -12.059   1.256   3.560
    2    HA   ARG   1           HA       ARG   1 -11.354   2.632   1.098
    3    HB2  ARG   1           HB2      ARG   1  -9.684   2.006   3.543
    4    HB3  ARG   1           HB3      ARG   1  -9.200   3.051   2.218
    5    HG2  ARG   1           HG2      ARG   1 -10.894   4.655   2.786
    6    HG3  ARG   1           HG3      ARG   1 -11.560   3.568   4.009
    7    HD2  ARG   1           HD2      ARG   1  -9.482   3.703   5.277
    8    HD3  ARG   1           HD3      ARG   1  -8.781   4.755   4.047
    9    HE   ARG   1           HE       ARG   1 -11.211   5.811   5.108
   10   HH11  ARG   1          HH11      ARG   1  -7.813   5.403   5.834
   11   HH12  ARG   1          HH12      ARG   1  -7.724   6.853   6.793
   12   HH21  ARG   1          HH21      ARG   1 -11.101   7.678   6.409
   13   HH22  ARG   1          HH22      ARG   1  -9.589   8.122   7.143
   14    H    ARG   2           HN       ARG   2 -11.666   0.703  -0.243
   15    HA   ARG   2           HA       ARG   2 -10.122  -1.624   0.149
   16    HB2  ARG   2           HB2      ARG   2 -10.698  -2.060  -2.322
   17    HB3  ARG   2           HB3      ARG   2 -11.987  -2.034  -1.137
   18    HG2  ARG   2           HG2      ARG   2 -12.787  -0.894  -3.022
   19    HG3  ARG   2           HG3      ARG   2 -12.421   0.342  -1.820
   20    HD2  ARG   2           HD2      ARG   2 -10.439   0.977  -2.951
   21    HD3  ARG   2           HD3      ARG   2 -10.508  -0.436  -4.008
   22    HE   ARG   2           HE       ARG   2 -12.789   0.736  -4.667
   23   HH11  ARG   2          HH11      ARG   2  -9.621   2.155  -4.202
   24   HH12  ARG   2          HH12      ARG   2  -9.900   3.469  -5.295
   25   HH21  ARG   2          HH21      ARG   2 -13.162   2.445  -6.112
   26   HH22  ARG   2          HH22      ARG   2 -11.934   3.637  -6.388
   27    H    TRP   3           HN       TRP   3  -9.406   1.364  -1.436
   28    HA   TRP   3           HA       TRP   3  -7.267   0.522  -3.038
   29    HB2  TRP   3           HB2      TRP   3  -6.487   2.943  -2.809
   30    HB3  TRP   3           HB3      TRP   3  -8.087   2.677  -3.492
   31    HD1  TRP   3           HD1      TRP   3 -10.202   3.346  -1.944
   32    HE1  TRP   3           HE1      TRP   3 -10.417   5.026  -0.009
   33    HE3  TRP   3           HE3      TRP   3  -5.233   3.959  -0.868
   34    HZ2  TRP   3           HZ2      TRP   3  -8.700   6.429   1.739
   35    HZ3  TRP   3           HZ3      TRP   3  -4.607   5.501   0.951
   36    HH2  TRP   3           HH2      TRP   3  -6.307   6.709   2.224
   37    H    ARG   4           HN       ARG   4  -7.495   1.153   0.372
   38    HA   ARG   4           HA       ARG   4  -4.806   1.447   1.027
   39    HB2  ARG   4           HB2      ARG   4  -7.111   0.287   2.574
   40    HB3  ARG   4           HB3      ARG   4  -5.506   0.487   3.269
   41    HG2  ARG   4           HG2      ARG   4  -7.008   2.768   2.028
   42    HG3  ARG   4           HG3      ARG   4  -7.201   2.322   3.724
   43    HD2  ARG   4           HD2      ARG   4  -4.507   2.902   2.498
   44    HD3  ARG   4           HD3      ARG   4  -5.516   4.165   3.200
   45    HE   ARG   4           HE       ARG   4  -5.008   1.888   4.924
   46   HH11  ARG   4          HH11      ARG   4  -3.919   5.080   3.924
   47   HH12  ARG   4          HH12      ARG   4  -3.093   5.400   5.416
   48   HH21  ARG   4          HH21      ARG   4  -3.950   2.337   6.896
   49   HH22  ARG   4          HH22      ARG   4  -3.117   3.851   7.106
   50    H    ARG   5           HN       ARG   5  -6.604  -1.409   0.193
   51    HA   ARG   5           HA       ARG   5  -4.908  -3.419   1.100
   52    HB2  ARG   5           HB2      ARG   5  -7.044  -3.939   0.078
   53    HB3  ARG   5           HB3      ARG   5  -6.519  -3.265  -1.459
   54    HG2  ARG   5           HG2      ARG   5  -4.769  -5.047  -1.542
   55    HG3  ARG   5           HG3      ARG   5  -5.517  -5.768  -0.119
   56    HD2  ARG   5           HD2      ARG   5  -6.923  -5.254  -2.735
   57    HD3  ARG   5           HD3      ARG   5  -6.233  -6.802  -2.258
   58    HE   ARG   5           HE       ARG   5  -7.998  -6.001  -0.254
   59   HH11  ARG   5          HH11      ARG   5  -8.137  -6.922  -3.642
   60   HH12  ARG   5          HH12      ARG   5  -9.729  -7.606  -3.516
   61   HH21  ARG   5          HH21      ARG   5 -10.065  -6.906  -0.089
   62   HH22  ARG   5          HH22      ARG   5 -10.834  -7.602  -1.491
   63    H    TRP   6           HN       TRP   6  -4.833  -1.733  -2.031
   64    HA   TRP   6           HA       TRP   6  -2.366  -2.932  -2.846
   65    HB2  TRP   6           HB2      TRP   6  -3.586  -0.411  -3.978
   66    HB3  TRP   6           HB3      TRP   6  -2.548  -1.577  -4.794
   67    HD1  TRP   6           HD1      TRP   6  -3.930  -4.263  -4.512
   68    HE1  TRP   6           HE1      TRP   6  -6.297  -4.718  -5.396
   69    HE3  TRP   6           HE3      TRP   6  -5.637   0.553  -4.735
   70    HZ2  TRP   6           HZ2      TRP   6  -8.589  -3.228  -6.114
   71    HZ3  TRP   6           HZ3      TRP   6  -7.935   0.953  -5.532
   72    HH2  TRP   6           HH2      TRP   6  -9.375  -0.900  -6.206
   73    H    TRP   7           HN       TRP   7  -3.335  -0.006  -1.245
   74    HA   TRP   7           HA       TRP   7  -1.102   1.591  -1.326
   75    HB2  TRP   7           HB2      TRP   7  -3.245   2.186  -0.286
   76    HB3  TRP   7           HB3      TRP   7  -2.945   1.047   1.014
   77    HD1  TRP   7           HD1      TRP   7  -1.124   1.771   2.870
   78    HE1  TRP   7           HE1      TRP   7  -0.308   4.103   3.598
   79    HE3  TRP   7           HE3      TRP   7  -2.669   4.470  -1.194
   80    HZ2  TRP   7           HZ2      TRP   7  -0.318   6.732   2.572
   81    HZ3  TRP   7           HZ3      TRP   7  -2.225   6.889  -1.237
   82    HH2  TRP   7           HH2      TRP   7  -1.074   7.995   0.606
   83    H    ARG   8           HN       ARG   8  -1.757  -1.059   0.955
   84    HA   ARG   8           HA       ARG   8   0.637  -0.863   2.425
   85    HB2  ARG   8           HB2      ARG   8  -0.950  -3.380   1.899
   86    HB3  ARG   8           HB3      ARG   8   0.150  -3.091   3.238
   87    HG2  ARG   8           HG2      ARG   8  -1.347  -1.392   4.118
   88    HG3  ARG   8           HG3      ARG   8  -2.449  -1.652   2.762
   89    HD2  ARG   8           HD2      ARG   8  -1.697  -3.607   4.926
   90    HD3  ARG   8           HD3      ARG   8  -3.277  -2.875   4.646
   91    HE   ARG   8           HE       ARG   8  -2.220  -4.471   2.459
   92   HH11  ARG   8          HH11      ARG   8  -4.256  -4.415   5.306
   93   HH12  ARG   8          HH12      ARG   8  -5.150  -5.834   4.846
   94   HH21  ARG   8          HH21      ARG   8  -3.355  -6.345   1.870
   95   HH22  ARG   8          HH22      ARG   8  -4.625  -6.941   2.903
   96    H    ARG   9           HN       ARG   9  -0.172  -2.516  -0.545
   97    HA   ARG   9           HA       ARG   9   2.070  -4.235  -0.660
   98    HB2  ARG   9           HB2      ARG   9  -0.081  -4.499  -1.929
   99    HB3  ARG   9           HB3      ARG   9   0.429  -3.171  -2.961
  100    HG2  ARG   9           HG2      ARG   9   2.274  -4.446  -3.795
  101    HG3  ARG   9           HG3      ARG   9   1.963  -5.741  -2.633
  102    HD2  ARG   9           HD2      ARG   9  -0.244  -6.100  -3.674
  103    HD3  ARG   9           HD3      ARG   9   0.130  -4.851  -4.857
  104    HE   ARG   9           HE       ARG   9   1.935  -6.321  -5.653
  105   HH11  ARG   9          HH11      ARG   9  -0.583  -7.715  -3.689
  106   HH12  ARG   9          HH12      ARG   9  -0.466  -9.293  -4.402
  107   HH21  ARG   9          HH21      ARG   9   2.118  -8.411  -6.617
  108   HH22  ARG   9          HH22      ARG   9   1.066  -9.688  -6.073
  109    H    TRP  10           HN       TRP  10   1.434  -1.004  -1.881
  110    HA   TRP  10           HA       TRP  10   3.964  -0.676  -3.147
  111    HB2  TRP  10           HB2      TRP  10   2.564   0.900  -3.994
  112    HB3  TRP  10           HB3      TRP  10   1.616   0.997  -2.516
  113    HD1  TRP  10           HD1      TRP  10   2.123   2.927  -0.874
  114    HE1  TRP  10           HE1      TRP  10   3.711   4.941  -0.904
  115    HE3  TRP  10           HE3      TRP  10   5.000   1.634  -4.894
  116    HZ2  TRP  10           HZ2      TRP  10   5.910   5.860  -2.404
  117    HZ3  TRP  10           HZ3      TRP  10   6.827   3.143  -5.562
  118    HH2  TRP  10           HH2      TRP  10   7.265   5.213  -4.348
  119    H    TRP  11           HN       TRP  11   2.678   0.043   0.044
  120    HA   TRP  11           HA       TRP  11   4.755   1.659   0.988
  121    HB2  TRP  11           HB2      TRP  11   2.354   0.946   1.939
  122    HB3  TRP  11           HB3      TRP  11   3.352  -0.145   2.896
  123    HD1  TRP  11           HD1      TRP  11   1.929   3.199   3.037
  124    HE1  TRP  11           HE1      TRP  11   3.090   4.645   4.826
  125    HE3  TRP  11           HE3      TRP  11   6.038   0.305   3.842
  126    HZ2  TRP  11           HZ2      TRP  11   5.459   4.560   6.366
  127    HZ3  TRP  11           HZ3      TRP  11   7.708   1.043   5.492
  128    HH2  TRP  11           HH2      TRP  11   7.426   3.127   6.722
  129    H    ARG  12           HN       ARG  12   4.228  -1.812   1.668
  130    HA   ARG  12           HA       ARG  12   6.612  -2.029   3.163
  131    HB2  ARG  12           HB2      ARG  12   4.664  -3.991   2.049
  132    HB3  ARG  12           HB3      ARG  12   6.186  -4.566   2.713
  133    HG2  ARG  12           HG2      ARG  12   4.140  -2.910   4.171
  134    HG3  ARG  12           HG3      ARG  12   4.403  -4.646   4.369
  135    HD2  ARG  12           HD2      ARG  12   6.740  -4.148   5.061
  136    HD3  ARG  12           HD3      ARG  12   6.353  -2.431   4.994
  137    HE   ARG  12           HE       ARG  12   4.780  -4.190   6.743
  138   HH11  ARG  12          HH11      ARG  12   7.126  -1.589   6.352
  139   HH12  ARG  12          HH12      ARG  12   6.993  -1.066   8.006
  140   HH21  ARG  12          HH21      ARG  12   4.686  -3.528   8.939
  141   HH22  ARG  12          HH22      ARG  12   5.625  -2.165   9.466
  142    H    ARG  13           HN       ARG  13   5.933  -2.547  -0.232
  143    HA   ARG  13           HA       ARG  13   8.351  -3.966  -0.711
  144    HB2  ARG  13           HB2      ARG  13   6.288  -2.733  -2.490
  145    HB3  ARG  13           HB3      ARG  13   7.778  -3.396  -3.153
  146    HG2  ARG  13           HG2      ARG  13   7.264  -5.569  -2.324
  147    HG3  ARG  13           HG3      ARG  13   5.895  -4.951  -1.398
  148    HD2  ARG  13           HD2      ARG  13   5.172  -6.068  -3.442
  149    HD3  ARG  13           HD3      ARG  13   4.746  -4.359  -3.444
  150    HE   ARG  13           HE       ARG  13   7.144  -5.316  -4.875
  151   HH11  ARG  13          HH11      ARG  13   4.046  -3.704  -4.834
  152   HH12  ARG  13          HH12      ARG  13   4.143  -3.162  -6.481
  153   HH21  ARG  13          HH21      ARG  13   7.292  -4.636  -7.045
  154   HH22  ARG  13          HH22      ARG  13   6.008  -3.708  -7.748
  155    H    TRP  14           HN       TRP  14   7.379  -0.640  -1.657
  156    HA   TRP  14           HA       TRP  14   9.992  -0.147  -2.709
  157    HB2  TRP  14           HB2      TRP  14   7.895   0.861  -3.624
  158    HB3  TRP  14           HB3      TRP  14   7.825   1.883  -2.196
  159    HD1  TRP  14           HD1      TRP  14   9.847   1.342  -5.385
  160    HE1  TRP  14           HE1      TRP  14  11.230   3.458  -5.871
  161    HE3  TRP  14           HE3      TRP  14   8.899   3.912  -1.071
  162    HZ2  TRP  14           HZ2      TRP  14  11.839   5.895  -4.577
  163    HZ3  TRP  14           HZ3      TRP  14   9.923   6.130  -0.773
  164    HH2  TRP  14           HH2      TRP  14  11.361   7.100  -2.492
  165    H    ARG  15           HN       ARG  15   8.231   1.529  -0.077
  166    HA   ARG  15           HA       ARG  15  10.663   2.821   0.701
  167    HB2  ARG  15           HB2      ARG  15   9.193   3.703   2.626
  168    HB3  ARG  15           HB3      ARG  15   8.907   4.272   0.994
  169    HG2  ARG  15           HG2      ARG  15   7.342   1.943   1.925
  170    HG3  ARG  15           HG3      ARG  15   6.966   3.513   2.630
  171    HD2  ARG  15           HD2      ARG  15   6.980   2.833  -0.310
  172    HD3  ARG  15           HD3      ARG  15   5.558   3.063   0.701
  173    HE   ARG  15           HE       ARG  15   7.083   5.096  -0.574
  174   HH11  ARG  15          HH11      ARG  15   5.261   4.442   2.355
  175   HH12  ARG  15          HH12      ARG  15   4.896   6.116   2.651
  176   HH21  ARG  15          HH21      ARG  15   6.592   7.283  -0.192
  177   HH22  ARG  15          HH22      ARG  15   5.662   7.730   1.216
  178    H    ARG  16           HN       ARG  16   8.683   0.220   2.001
  179    HA   ARG  16           HA       ARG  16   9.219  -1.521   3.341
  180    HB2  ARG  16           HB2      ARG  16  12.001  -0.364   3.305
  181    HB3  ARG  16           HB3      ARG  16  11.573  -1.941   3.946
  182    HG2  ARG  16           HG2      ARG  16  10.894  -2.691   1.751
  183    HG3  ARG  16           HG3      ARG  16  11.210  -1.087   1.087
  184    HD2  ARG  16           HD2      ARG  16  13.583  -1.331   1.789
  185    HD3  ARG  16           HD3      ARG  16  13.222  -2.993   2.264
  186    HE   ARG  16           HE       ARG  16  12.398  -2.658  -0.378
  187   HH11  ARG  16          HH11      ARG  16  15.357  -2.651   1.477
  188   HH12  ARG  16          HH12      ARG  16  16.354  -3.190   0.156
  189   HH21  ARG  16          HH21      ARG  16  13.698  -3.391  -2.129
  190   HH22  ARG  16          HH22      ARG  16  15.405  -3.623  -1.894
  Start of MODEL    3
    1    H    ARG   1           HN       ARG   1 -12.228   0.328   3.151
    2    HA   ARG   1           HA       ARG   1 -11.411   2.040   0.969
    3    HB2  ARG   1           HB2      ARG   1  -9.787   0.968   3.287
    4    HB3  ARG   1           HB3      ARG   1  -9.311   2.259   2.194
    5    HG2  ARG   1           HG2      ARG   1 -11.070   3.680   3.033
    6    HG3  ARG   1           HG3      ARG   1 -11.683   2.368   4.045
    7    HD2  ARG   1           HD2      ARG   1  -8.997   3.719   4.274
    8    HD3  ARG   1           HD3      ARG   1 -10.358   3.891   5.383
    9    HE   ARG   1           HE       ARG   1  -9.940   1.250   5.462
   10   HH11  ARG   1          HH11      ARG   1  -7.715   3.949   5.733
   11   HH12  ARG   1          HH12      ARG   1  -6.588   3.087   6.743
   12   HH21  ARG   1          HH21      ARG   1  -8.431   0.092   6.747
   13   HH22  ARG   1          HH22      ARG   1  -6.991   0.891   7.299
   14    H    ARG   2           HN       ARG   2 -11.394   0.754  -0.854
   15    HA   ARG   2           HA       ARG   2 -10.063  -1.757  -0.934
   16    HB2  ARG   2           HB2      ARG   2 -10.302  -1.241  -3.535
   17    HB3  ARG   2           HB3      ARG   2 -11.647  -1.790  -2.555
   18    HG2  ARG   2           HG2      ARG   2 -12.443  -0.025  -3.905
   19    HG3  ARG   2           HG3      ARG   2 -12.303   0.613  -2.270
   20    HD2  ARG   2           HD2      ARG   2 -10.092   1.577  -2.919
   21    HD3  ARG   2           HD3      ARG   2 -10.417   1.073  -4.578
   22    HE   ARG   2           HE       ARG   2 -12.573   2.613  -3.604
   23   HH11  ARG   2          HH11      ARG   2  -9.302   2.936  -4.806
   24   HH12  ARG   2          HH12      ARG   2  -9.478   4.617  -5.213
   25   HH21  ARG   2          HH21      ARG   2 -12.824   4.794  -4.156
   26   HH22  ARG   2          HH22      ARG   2 -11.480   5.690  -4.809
   27    H    TRP   3           HN       TRP   3  -9.069   1.502  -1.576
   28    HA   TRP   3           HA       TRP   3  -6.818   0.775  -3.169
   29    HB2  TRP   3           HB2      TRP   3  -6.140   3.147  -2.943
   30    HB3  TRP   3           HB3      TRP   3  -7.806   2.954  -3.474
   31    HD1  TRP   3           HD1      TRP   3  -9.732   3.537  -1.617
   32    HE1  TRP   3           HE1      TRP   3  -9.691   5.208   0.350
   33    HE3  TRP   3           HE3      TRP   3  -4.678   4.184  -1.237
   34    HZ2  TRP   3           HZ2      TRP   3  -7.745   6.605   1.855
   35    HZ3  TRP   3           HZ3      TRP   3  -3.808   5.704   0.490
   36    HH2  TRP   3           HH2      TRP   3  -5.312   6.890   2.000
   37    H    ARG   4           HN       ARG   4  -7.310   1.207   0.251
   38    HA   ARG   4           HA       ARG   4  -4.637   1.571   1.012
   39    HB2  ARG   4           HB2      ARG   4  -7.033   0.539   2.467
   40    HB3  ARG   4           HB3      ARG   4  -5.449   0.583   3.227
   41    HG2  ARG   4           HG2      ARG   4  -6.809   2.979   2.026
   42    HG3  ARG   4           HG3      ARG   4  -6.887   2.545   3.734
   43    HD2  ARG   4           HD2      ARG   4  -4.343   3.112   2.201
   44    HD3  ARG   4           HD3      ARG   4  -5.176   4.269   3.240
   45    HE   ARG   4           HE       ARG   4  -4.476   1.780   4.530
   46   HH11  ARG   4          HH11      ARG   4  -3.495   5.045   3.771
   47   HH12  ARG   4          HH12      ARG   4  -2.339   5.145   5.063
   48   HH21  ARG   4          HH21      ARG   4  -2.946   1.884   6.233
   49   HH22  ARG   4          HH22      ARG   4  -1.990   3.324   6.454
   50    H    ARG   5           HN       ARG   5  -6.399  -1.300   0.138
   51    HA   ARG   5           HA       ARG   5  -4.645  -3.245   1.130
   52    HB2  ARG   5           HB2      ARG   5  -6.747  -3.929   0.190
   53    HB3  ARG   5           HB3      ARG   5  -6.332  -3.236  -1.374
   54    HG2  ARG   5           HG2      ARG   5  -4.609  -4.892  -1.702
   55    HG3  ARG   5           HG3      ARG   5  -4.888  -5.545  -0.086
   56    HD2  ARG   5           HD2      ARG   5  -6.988  -5.456  -2.240
   57    HD3  ARG   5           HD3      ARG   5  -5.936  -6.839  -1.955
   58    HE   ARG   5           HE       ARG   5  -7.207  -6.115   0.453
   59   HH11  ARG   5          HH11      ARG   5  -7.813  -7.633  -2.634
   60   HH12  ARG   5          HH12      ARG   5  -9.143  -8.597  -2.058
   61   HH21  ARG   5          HH21      ARG   5  -8.966  -7.363   1.236
   62   HH22  ARG   5          HH22      ARG   5  -9.820  -8.421   0.156
   63    H    TRP   6           HN       TRP   6  -4.664  -1.663  -2.063
   64    HA   TRP   6           HA       TRP   6  -2.230  -2.844  -2.928
   65    HB2  TRP   6           HB2      TRP   6  -3.425  -0.255  -3.931
   66    HB3  TRP   6           HB3      TRP   6  -2.345  -1.338  -4.804
   67    HD1  TRP   6           HD1      TRP   6  -3.669  -4.057  -4.752
   68    HE1  TRP   6           HE1      TRP   6  -6.006  -4.484  -5.717
   69    HE3  TRP   6           HE3      TRP   6  -5.491   0.722  -4.645
   70    HZ2  TRP   6           HZ2      TRP   6  -8.325  -3.006  -6.356
   71    HZ3  TRP   6           HZ3      TRP   6  -7.776   1.126  -5.450
   72    HH2  TRP   6           HH2      TRP   6  -9.165  -0.701  -6.289
   73    H    TRP   7           HN       TRP   7  -3.106   0.093  -1.281
   74    HA   TRP   7           HA       TRP   7  -0.738   1.517  -1.267
   75    HB2  TRP   7           HB2      TRP   7  -2.886   2.322  -0.386
   76    HB3  TRP   7           HB3      TRP   7  -2.772   1.180   0.945
   77    HD1  TRP   7           HD1      TRP   7  -1.029   1.777   2.918
   78    HE1  TRP   7           HE1      TRP   7  -0.038   4.035   3.656
   79    HE3  TRP   7           HE3      TRP   7  -2.005   4.509  -1.283
   80    HZ2  TRP   7           HZ2      TRP   7   0.281   6.616   2.601
   81    HZ3  TRP   7           HZ3      TRP   7  -1.313   6.867  -1.341
   82    HH2  TRP   7           HH2      TRP   7  -0.192   7.894   0.563
   83    H    ARG   8           HN       ARG   8  -1.793  -1.062   0.957
   84    HA   ARG   8           HA       ARG   8   0.530  -1.074   2.559
   85    HB2  ARG   8           HB2      ARG   8  -1.491  -3.227   1.944
   86    HB3  ARG   8           HB3      ARG   8  -0.192  -3.439   3.107
   87    HG2  ARG   8           HG2      ARG   8  -2.086  -1.142   3.363
   88    HG3  ARG   8           HG3      ARG   8  -2.548  -2.750   3.917
   89    HD2  ARG   8           HD2      ARG   8  -1.654  -1.526   5.774
   90    HD3  ARG   8           HD3      ARG   8  -0.515  -2.795   5.333
   91    HE   ARG   8           HE       ARG   8   0.281  -0.501   3.997
   92   HH11  ARG   8          HH11      ARG   8  -0.098  -1.582   7.310
   93   HH12  ARG   8          HH12      ARG   8   1.135  -0.519   7.932
   94   HH21  ARG   8          HH21      ARG   8   1.934   0.860   4.807
   95   HH22  ARG   8          HH22      ARG   8   2.325   0.831   6.499
   96    H    ARG   9           HN       ARG   9  -0.342  -2.838  -0.361
   97    HA   ARG   9           HA       ARG   9   1.884  -4.536  -0.513
   98    HB2  ARG   9           HB2      ARG   9  -0.141  -4.836  -1.865
   99    HB3  ARG   9           HB3      ARG   9   0.211  -3.354  -2.737
  100    HG2  ARG   9           HG2      ARG   9   0.817  -5.204  -4.108
  101    HG3  ARG   9           HG3      ARG   9   2.296  -4.405  -3.576
  102    HD2  ARG   9           HD2      ARG   9   1.168  -6.770  -2.108
  103    HD3  ARG   9           HD3      ARG   9   2.204  -6.974  -3.518
  104    HE   ARG   9           HE       ARG   9   3.452  -5.247  -1.665
  105   HH11  ARG   9          HH11      ARG   9   2.535  -8.608  -2.032
  106   HH12  ARG   9          HH12      ARG   9   3.884  -9.210  -1.113
  107   HH21  ARG   9          HH21      ARG   9   5.223  -6.041  -0.420
  108   HH22  ARG   9          HH22      ARG   9   5.414  -7.751  -0.202
  109    H    TRP  10           HN       TRP  10   1.301  -1.357  -1.961
  110    HA   TRP  10           HA       TRP  10   3.835  -1.024  -3.142
  111    HB2  TRP  10           HB2      TRP  10   2.481   0.565  -4.018
  112    HB3  TRP  10           HB3      TRP  10   1.460   0.609  -2.586
  113    HD1  TRP  10           HD1      TRP  10   2.000   2.429  -0.739
  114    HE1  TRP  10           HE1      TRP  10   3.464   4.534  -0.740
  115    HE3  TRP  10           HE3      TRP  10   4.658   1.581  -5.028
  116    HZ2  TRP  10           HZ2      TRP  10   5.474   5.697  -2.326
  117    HZ3  TRP  10           HZ3      TRP  10   6.325   3.253  -5.721
  118    HH2  TRP  10           HH2      TRP  10   6.719   5.271  -4.405
  119    H    TRP  11           HN       TRP  11   2.568  -0.191   0.026
  120    HA   TRP  11           HA       TRP  11   4.565   1.519   0.918
  121    HB2  TRP  11           HB2      TRP  11   2.243   0.721   1.932
  122    HB3  TRP  11           HB3      TRP  11   3.294  -0.345   2.859
  123    HD1  TRP  11           HD1      TRP  11   1.819   2.999   3.017
  124    HE1  TRP  11           HE1      TRP  11   2.997   4.440   4.798
  125    HE3  TRP  11           HE3      TRP  11   5.940   0.119   3.769
  126    HZ2  TRP  11           HZ2      TRP  11   5.383   4.359   6.316
  127    HZ3  TRP  11           HZ3      TRP  11   7.626   0.854   5.405
  128    HH2  TRP  11           HH2      TRP  11   7.356   2.924   6.643
  129    H    ARG  12           HN       ARG  12   4.261  -1.931   1.762
  130    HA   ARG  12           HA       ARG  12   6.761  -1.967   3.074
  131    HB2  ARG  12           HB2      ARG  12   4.905  -4.138   2.162
  132    HB3  ARG  12           HB3      ARG  12   6.455  -4.513   2.900
  133    HG2  ARG  12           HG2      ARG  12   4.201  -2.958   4.146
  134    HG3  ARG  12           HG3      ARG  12   4.709  -4.600   4.552
  135    HD2  ARG  12           HD2      ARG  12   6.929  -3.695   5.198
  136    HD3  ARG  12           HD3      ARG  12   6.305  -2.068   4.916
  137    HE   ARG  12           HE       ARG  12   4.791  -3.686   6.781
  138   HH11  ARG  12          HH11      ARG  12   7.330  -1.295   6.371
  139   HH12  ARG  12          HH12      ARG  12   7.231  -0.752   8.018
  140   HH21  ARG  12          HH21      ARG  12   4.687  -2.969   8.934
  141   HH22  ARG  12          HH22      ARG  12   5.733  -1.690   9.475
  142    H    ARG  13           HN       ARG  13   5.885  -2.513  -0.265
  143    HA   ARG  13           HA       ARG  13   8.331  -3.821  -0.934
  144    HB2  ARG  13           HB2      ARG  13   5.988  -2.888  -2.389
  145    HB3  ARG  13           HB3      ARG  13   7.482  -2.679  -3.282
  146    HG2  ARG  13           HG2      ARG  13   7.987  -5.091  -2.820
  147    HG3  ARG  13           HG3      ARG  13   6.354  -5.229  -2.169
  148    HD2  ARG  13           HD2      ARG  13   6.377  -5.981  -4.466
  149    HD3  ARG  13           HD3      ARG  13   5.449  -4.490  -4.342
  150    HE   ARG  13           HE       ARG  13   7.817  -3.533  -5.063
  151   HH11  ARG  13          HH11      ARG  13   6.108  -6.338  -6.293
  152   HH12  ARG  13          HH12      ARG  13   6.729  -6.155  -7.905
  153   HH21  ARG  13          HH21      ARG  13   8.651  -3.301  -7.152
  154   HH22  ARG  13          HH22      ARG  13   8.207  -4.446  -8.390
  155    H    TRP  14           HN       TRP  14   7.200  -0.492  -1.687
  156    HA   TRP  14           HA       TRP  14   9.784   0.139  -2.754
  157    HB2  TRP  14           HB2      TRP  14   7.663   1.061  -3.666
  158    HB3  TRP  14           HB3      TRP  14   7.500   2.028  -2.206
  159    HD1  TRP  14           HD1      TRP  14   9.653   1.716  -5.357
  160    HE1  TRP  14           HE1      TRP  14  10.914   3.937  -5.715
  161    HE3  TRP  14           HE3      TRP  14   8.336   4.092  -1.037
  162    HZ2  TRP  14           HZ2      TRP  14  11.280   6.375  -4.341
  163    HZ3  TRP  14           HZ3      TRP  14   9.168   6.373  -0.635
  164    HH2  TRP  14           HH2      TRP  14  10.616   7.491  -2.261
  165    H    ARG  15           HN       ARG  15   7.963   1.696  -0.109
  166    HA   ARG  15           HA       ARG  15  10.354   2.989   0.783
  167    HB2  ARG  15           HB2      ARG  15   8.841   3.812   2.679
  168    HB3  ARG  15           HB3      ARG  15   8.523   4.388   1.058
  169    HG2  ARG  15           HG2      ARG  15   7.044   2.011   2.010
  170    HG3  ARG  15           HG3      ARG  15   6.616   3.585   2.678
  171    HD2  ARG  15           HD2      ARG  15   6.710   2.921  -0.264
  172    HD3  ARG  15           HD3      ARG  15   5.249   2.950   0.715
  173    HE   ARG  15           HE       ARG  15   6.662   5.202  -0.384
  174   HH11  ARG  15          HH11      ARG  15   4.537   4.181   2.221
  175   HH12  ARG  15          HH12      ARG  15   3.819   5.753   2.421
  176   HH21  ARG  15          HH21      ARG  15   5.703   7.263  -0.140
  177   HH22  ARG  15          HH22      ARG  15   4.474   7.498   1.073
  178    H    ARG  16           HN       ARG  16   8.417   0.289   1.799
  179    HA   ARG  16           HA       ARG  16   8.988  -1.592   2.895
  180    HB2  ARG  16           HB2      ARG  16  11.274  -1.009   1.764
  181    HB3  ARG  16           HB3      ARG  16  11.770  -0.620   3.407
  182    HG2  ARG  16           HG2      ARG  16  12.179  -2.759   3.762
  183    HG3  ARG  16           HG3      ARG  16  10.467  -3.114   3.520
  184    HD2  ARG  16           HD2      ARG  16  11.560  -4.480   1.966
  185    HD3  ARG  16           HD3      ARG  16  11.001  -3.102   1.018
  186    HE   ARG  16           HE       ARG  16  13.765  -3.176   2.042
  187   HH11  ARG  16          HH11      ARG  16  11.532  -2.935  -0.660
  188   HH12  ARG  16          HH12      ARG  16  12.793  -2.749  -1.833
  189   HH21  ARG  16          HH21      ARG  16  15.397  -2.875   0.515
  190   HH22  ARG  16          HH22      ARG  16  15.005  -2.711  -1.166
  Start of MODEL    4
    1    H    ARG   1           HN       ARG   1 -12.378   0.144   2.460
    2    HA   ARG   1           HA       ARG   1  -9.935   1.679   2.102
    3    HB2  ARG   1           HB2      ARG   1  -8.933  -0.054   3.575
    4    HB3  ARG   1           HB3      ARG   1 -10.314   0.760   4.298
    5    HG2  ARG   1           HG2      ARG   1 -11.731  -1.137   3.774
    6    HG3  ARG   1           HG3      ARG   1 -10.368  -1.953   3.001
    7    HD2  ARG   1           HD2      ARG   1  -9.170  -1.987   5.122
    8    HD3  ARG   1           HD3      ARG   1 -10.500  -1.131   5.902
    9    HE   ARG   1           HE       ARG   1 -11.678  -3.337   4.846
   10   HH11  ARG   1          HH11      ARG   1  -9.002  -2.814   7.055
   11   HH12  ARG   1          HH12      ARG   1  -9.216  -4.338   7.862
   12   HH21  ARG   1          HH21      ARG   1 -11.966  -5.318   5.909
   13   HH22  ARG   1          HH22      ARG   1 -10.876  -5.795   7.177
   14    H    ARG   2           HN       ARG   2 -11.165   0.504  -0.241
   15    HA   ARG   2           HA       ARG   2  -9.991  -1.916  -1.052
   16    HB2  ARG   2           HB2      ARG   2 -10.672   0.380  -2.870
   17    HB3  ARG   2           HB3      ARG   2 -10.602  -1.326  -3.286
   18    HG2  ARG   2           HG2      ARG   2 -12.505  -1.624  -1.610
   19    HG3  ARG   2           HG3      ARG   2 -12.664   0.136  -1.681
   20    HD2  ARG   2           HD2      ARG   2 -12.886  -0.033  -4.138
   21    HD3  ARG   2           HD3      ARG   2 -12.831  -1.787  -3.991
   22    HE   ARG   2           HE       ARG   2 -14.999  -0.055  -2.985
   23   HH11  ARG   2          HH11      ARG   2 -13.796  -3.198  -3.961
   24   HH12  ARG   2          HH12      ARG   2 -15.363  -3.948  -3.939
   25   HH21  ARG   2          HH21      ARG   2 -17.078  -1.045  -3.014
   26   HH22  ARG   2          HH22      ARG   2 -17.209  -2.728  -3.430
   27    H    TRP   3           HN       TRP   3  -9.043   1.413  -1.560
   28    HA   TRP   3           HA       TRP   3  -6.790   0.871  -3.151
   29    HB2  TRP   3           HB2      TRP   3  -6.167   3.245  -2.654
   30    HB3  TRP   3           HB3      TRP   3  -7.803   3.033  -3.271
   31    HD1  TRP   3           HD1      TRP   3  -9.808   3.155  -1.340
   32    HE1  TRP   3           HE1      TRP   3  -9.938   4.649   0.751
   33    HE3  TRP   3           HE3      TRP   3  -4.866   4.361  -0.906
   34    HZ2  TRP   3           HZ2      TRP   3  -8.175   6.136   2.370
   35    HZ3  TRP   3           HZ3      TRP   3  -4.169   5.828   0.947
   36    HH2  TRP   3           HH2      TRP   3  -5.793   6.696   2.549
   37    H    ARG   4           HN       ARG   4  -7.234   1.021   0.298
   38    HA   ARG   4           HA       ARG   4  -4.554   1.339   1.048
   39    HB2  ARG   4           HB2      ARG   4  -6.875   0.086   2.504
   40    HB3  ARG   4           HB3      ARG   4  -5.286   0.291   3.228
   41    HG2  ARG   4           HG2      ARG   4  -6.977   2.534   2.144
   42    HG3  ARG   4           HG3      ARG   4  -6.879   2.067   3.842
   43    HD2  ARG   4           HD2      ARG   4  -4.491   2.899   2.193
   44    HD3  ARG   4           HD3      ARG   4  -5.429   4.013   3.184
   45    HE   ARG   4           HE       ARG   4  -4.262   1.653   4.473
   46   HH11  ARG   4          HH11      ARG   4  -4.184   5.122   3.923
   47   HH12  ARG   4          HH12      ARG   4  -3.169   5.441   5.296
   48   HH21  ARG   4          HH21      ARG   4  -2.960   2.093   6.305
   49   HH22  ARG   4          HH22      ARG   4  -2.507   3.735   6.658
   50    H    ARG   5           HN       ARG   5  -6.349  -1.456   0.030
   51    HA   ARG   5           HA       ARG   5  -4.621  -3.499   0.823
   52    HB2  ARG   5           HB2      ARG   5  -6.776  -3.992  -0.199
   53    HB3  ARG   5           HB3      ARG   5  -6.253  -3.275  -1.717
   54    HG2  ARG   5           HG2      ARG   5  -4.443  -5.026  -1.798
   55    HG3  ARG   5           HG3      ARG   5  -5.250  -5.804  -0.435
   56    HD2  ARG   5           HD2      ARG   5  -6.586  -5.186  -3.061
   57    HD3  ARG   5           HD3      ARG   5  -5.840  -6.734  -2.676
   58    HE   ARG   5           HE       ARG   5  -7.584  -6.366  -0.635
   59   HH11  ARG   5          HH11      ARG   5  -7.912  -6.261  -4.117
   60   HH12  ARG   5          HH12      ARG   5  -9.563  -6.801  -4.115
   61   HH21  ARG   5          HH21      ARG   5  -9.724  -7.140  -0.619
   62   HH22  ARG   5          HH22      ARG   5 -10.586  -7.338  -2.125
   63    H    TRP   6           HN       TRP   6  -4.598  -1.586  -2.184
   64    HA   TRP   6           HA       TRP   6  -2.142  -2.729  -3.107
   65    HB2  TRP   6           HB2      TRP   6  -3.301  -0.080  -3.995
   66    HB3  TRP   6           HB3      TRP   6  -2.242  -1.159  -4.900
   67    HD1  TRP   6           HD1      TRP   6  -3.631  -3.841  -4.981
   68    HE1  TRP   6           HE1      TRP   6  -5.962  -4.177  -5.994
   69    HE3  TRP   6           HE3      TRP   6  -5.336   0.969  -4.712
   70    HZ2  TRP   6           HZ2      TRP   6  -8.229  -2.624  -6.608
   71    HZ3  TRP   6           HZ3      TRP   6  -7.602   1.459  -5.541
   72    HH2  TRP   6           HH2      TRP   6  -9.017  -0.299  -6.470
   73    H    TRP   7           HN       TRP   7  -3.111   0.127  -1.380
   74    HA   TRP   7           HA       TRP   7  -0.826   1.658  -1.275
   75    HB2  TRP   7           HB2      TRP   7  -2.982   2.356  -0.400
   76    HB3  TRP   7           HB3      TRP   7  -2.904   1.124   0.848
   77    HD1  TRP   7           HD1      TRP   7  -1.165   1.588   2.903
   78    HE1  TRP   7           HE1      TRP   7  -0.285   3.802   3.875
   79    HE3  TRP   7           HE3      TRP   7  -2.279   4.666  -1.008
   80    HZ2  TRP   7           HZ2      TRP   7  -0.110   6.504   3.080
   81    HZ3  TRP   7           HZ3      TRP   7  -1.730   7.058  -0.824
   82    HH2  TRP   7           HH2      TRP   7  -0.666   7.954   1.179
   83    H    ARG   8           HN       ARG   8  -1.755  -0.935   1.008
   84    HA   ARG   8           HA       ARG   8   0.554  -0.666   2.609
   85    HB2  ARG   8           HB2      ARG   8  -0.113  -2.850   3.585
   86    HB3  ARG   8           HB3      ARG   8  -1.415  -1.671   3.539
   87    HG2  ARG   8           HG2      ARG   8  -2.304  -2.772   1.520
   88    HG3  ARG   8           HG3      ARG   8  -1.031  -3.988   1.656
   89    HD2  ARG   8           HD2      ARG   8  -3.086  -3.403   3.781
   90    HD3  ARG   8           HD3      ARG   8  -3.206  -4.713   2.605
   91    HE   ARG   8           HE       ARG   8  -0.909  -5.357   3.646
   92   HH11  ARG   8          HH11      ARG   8  -3.667  -4.041   5.355
   93   HH12  ARG   8          HH12      ARG   8  -3.291  -4.844   6.844
   94   HH21  ARG   8          HH21      ARG   8  -0.414  -6.415   5.585
   95   HH22  ARG   8          HH22      ARG   8  -1.454  -6.232   6.964
   96    H    ARG   9           HN       ARG   9  -0.151  -2.790  -0.144
   97    HA   ARG   9           HA       ARG   9   2.225  -4.319   0.053
   98    HB2  ARG   9           HB2      ARG   9   0.599  -3.664  -2.392
   99    HB3  ARG   9           HB3      ARG   9   1.812  -4.931  -2.286
  100    HG2  ARG   9           HG2      ARG   9   0.417  -5.998  -0.510
  101    HG3  ARG   9           HG3      ARG   9  -0.827  -4.792  -0.856
  102    HD2  ARG   9           HD2      ARG   9   0.243  -6.940  -2.664
  103    HD3  ARG   9           HD3      ARG   9  -1.412  -6.711  -2.102
  104    HE   ARG   9           HE       ARG   9  -0.379  -4.523  -3.676
  105   HH11  ARG   9          HH11      ARG   9  -2.048  -7.613  -3.767
  106   HH12  ARG   9          HH12      ARG   9  -2.770  -7.301  -5.316
  107   HH21  ARG   9          HH21      ARG   9  -1.332  -4.130  -5.703
  108   HH22  ARG   9          HH22      ARG   9  -2.382  -5.329  -6.407
  109    H    TRP  10           HN       TRP  10   1.320  -1.463  -1.814
  110    HA   TRP  10           HA       TRP  10   3.737  -0.928  -3.079
  111    HB2  TRP  10           HB2      TRP  10   2.124   0.486  -3.863
  112    HB3  TRP  10           HB3      TRP  10   1.333   0.624  -2.298
  113    HD1  TRP  10           HD1      TRP  10   2.017   2.654  -0.747
  114    HE1  TRP  10           HE1      TRP  10   3.423   4.771  -1.143
  115    HE3  TRP  10           HE3      TRP  10   4.209   1.353  -5.170
  116    HZ2  TRP  10           HZ2      TRP  10   5.227   5.760  -3.074
  117    HZ3  TRP  10           HZ3      TRP  10   5.756   2.941  -6.241
  118    HH2  TRP  10           HH2      TRP  10   6.252   5.104  -5.211
  119    H    TRP  11           HN       TRP  11   2.585   0.008   0.118
  120    HA   TRP  11           HA       TRP  11   4.679   1.669   0.885
  121    HB2  TRP  11           HB2      TRP  11   2.389   1.072   2.025
  122    HB3  TRP  11           HB3      TRP  11   3.333  -0.158   2.853
  123    HD1  TRP  11           HD1      TRP  11   2.169   3.233   3.347
  124    HE1  TRP  11           HE1      TRP  11   3.558   4.468   5.137
  125    HE3  TRP  11           HE3      TRP  11   6.148   0.060   3.590
  126    HZ2  TRP  11           HZ2      TRP  11   6.022   4.110   6.484
  127    HZ3  TRP  11           HZ3      TRP  11   7.978   0.557   5.157
  128    HH2  TRP  11           HH2      TRP  11   7.920   2.542   6.567
  129    H    ARG  12           HN       ARG  12   4.258  -1.777   1.733
  130    HA   ARG  12           HA       ARG  12   6.786  -1.896   3.006
  131    HB2  ARG  12           HB2      ARG  12   4.881  -3.381   3.576
  132    HB3  ARG  12           HB3      ARG  12   5.106  -4.214   2.041
  133    HG2  ARG  12           HG2      ARG  12   6.134  -5.465   3.846
  134    HG3  ARG  12           HG3      ARG  12   7.362  -4.880   2.724
  135    HD2  ARG  12           HD2      ARG  12   8.224  -4.514   4.899
  136    HD3  ARG  12           HD3      ARG  12   7.703  -2.936   4.310
  137    HE   ARG  12           HE       ARG  12   5.743  -4.372   5.877
  138   HH11  ARG  12          HH11      ARG  12   8.308  -1.972   5.877
  139   HH12  ARG  12          HH12      ARG  12   7.887  -1.352   7.441
  140   HH21  ARG  12          HH21      ARG  12   5.202  -3.553   7.945
  141   HH22  ARG  12          HH22      ARG  12   6.143  -2.257   8.629
  142    H    ARG  13           HN       ARG  13   5.763  -2.575  -0.288
  143    HA   ARG  13           HA       ARG  13   8.198  -3.876  -1.031
  144    HB2  ARG  13           HB2      ARG  13   5.992  -2.613  -2.639
  145    HB3  ARG  13           HB3      ARG  13   7.456  -3.211  -3.400
  146    HG2  ARG  13           HG2      ARG  13   7.005  -5.440  -2.455
  147    HG3  ARG  13           HG3      ARG  13   5.491  -4.825  -1.790
  148    HD2  ARG  13           HD2      ARG  13   4.668  -4.341  -4.018
  149    HD3  ARG  13           HD3      ARG  13   6.218  -4.801  -4.722
  150    HE   ARG  13           HE       ARG  13   5.200  -6.964  -3.244
  151   HH11  ARG  13          HH11      ARG  13   4.575  -5.187  -6.202
  152   HH12  ARG  13          HH12      ARG  13   3.849  -6.548  -7.004
  153   HH21  ARG  13          HH21      ARG  13   4.267  -8.750  -4.304
  154   HH22  ARG  13          HH22      ARG  13   3.658  -8.574  -5.929
  155    H    TRP  14           HN       TRP  14   6.971  -0.594  -1.664
  156    HA   TRP  14           HA       TRP  14   9.400   0.227  -2.927
  157    HB2  TRP  14           HB2      TRP  14   6.981   1.059  -3.302
  158    HB3  TRP  14           HB3      TRP  14   7.284   2.090  -1.912
  159    HD1  TRP  14           HD1      TRP  14   8.532   1.486  -5.493
  160    HE1  TRP  14           HE1      TRP  14   9.625   3.648  -6.358
  161    HE3  TRP  14           HE3      TRP  14   8.354   4.236  -1.193
  162    HZ2  TRP  14           HZ2      TRP  14  10.322   6.191  -5.331
  163    HZ3  TRP  14           HZ3      TRP  14   9.253   6.522  -1.219
  164    HH2  TRP  14           HH2      TRP  14  10.215   7.475  -3.243
  165    H    ARG  15           HN       ARG  15   7.793   1.346   0.037
  166    HA   ARG  15           HA       ARG  15  10.067   2.864   0.859
  167    HB2  ARG  15           HB2      ARG  15   7.488   2.164   2.249
  168    HB3  ARG  15           HB3      ARG  15   8.744   3.128   3.001
  169    HG2  ARG  15           HG2      ARG  15   7.327   4.740   2.186
  170    HG3  ARG  15           HG3      ARG  15   8.514   4.616   0.889
  171    HD2  ARG  15           HD2      ARG  15   7.015   3.170  -0.370
  172    HD3  ARG  15           HD3      ARG  15   5.840   3.218   0.945
  173    HE   ARG  15           HE       ARG  15   6.231   5.196  -1.086
  174   HH11  ARG  15          HH11      ARG  15   5.212   4.712   2.238
  175   HH12  ARG  15          HH12      ARG  15   4.311   6.196   2.314
  176   HH21  ARG  15          HH21      ARG  15   5.006   7.150  -0.996
  177   HH22  ARG  15          HH22      ARG  15   4.197   7.564   0.489
  178    H    ARG  16           HN       ARG  16   8.836  -0.293   1.491
  179    HA   ARG  16           HA       ARG  16   9.404  -2.002   2.832
  180    HB2  ARG  16           HB2      ARG  16  11.806  -2.634   2.789
  181    HB3  ARG  16           HB3      ARG  16  11.108  -2.319   1.212
  182    HG2  ARG  16           HG2      ARG  16  12.224  -0.193   1.089
  183    HG3  ARG  16           HG3      ARG  16  12.808  -0.360   2.745
  184    HD2  ARG  16           HD2      ARG  16  13.514  -2.183   0.452
  185    HD3  ARG  16           HD3      ARG  16  14.537  -0.888   1.074
  186    HE   ARG  16           HE       ARG  16  14.024  -2.408   3.259
  187   HH11  ARG  16          HH11      ARG  16  15.364  -3.079   0.080
  188   HH12  ARG  16          HH12      ARG  16  16.322  -4.424   0.639
  189   HH21  ARG  16          HH21      ARG  16  15.303  -4.163   3.976
  190   HH22  ARG  16          HH22      ARG  16  16.259  -5.054   2.832
  Start of MODEL    5
    1    H    ARG   1           HN       ARG   1 -11.655  -0.051   3.499
    2    HA   ARG   1           HA       ARG   1 -11.884   1.768   1.220
    3    HB2  ARG   1           HB2      ARG   1  -9.571   1.366   3.126
    4    HB3  ARG   1           HB3      ARG   1  -9.650   2.569   1.844
    5    HG2  ARG   1           HG2      ARG   1 -11.643   3.547   2.982
    6    HG3  ARG   1           HG3      ARG   1 -11.360   2.429   4.317
    7    HD2  ARG   1           HD2      ARG   1  -9.096   3.390   4.580
    8    HD3  ARG   1           HD3      ARG   1  -9.475   4.555   3.311
    9    HE   ARG   1           HE       ARG   1 -10.839   4.415   5.930
   10   HH11  ARG   1          HH11      ARG   1  -9.803   6.214   3.101
   11   HH12  ARG   1          HH12      ARG   1 -10.272   7.748   3.753
   12   HH21  ARG   1          HH21      ARG   1 -11.465   6.420   6.780
   13   HH22  ARG   1          HH22      ARG   1 -11.246   7.868   5.838
   14    H    ARG   2           HN       ARG   2 -11.703   0.794  -0.647
   15    HA   ARG   2           HA       ARG   2 -10.431  -1.720  -0.999
   16    HB2  ARG   2           HB2      ARG   2 -10.840  -1.160  -3.498
   17    HB3  ARG   2           HB3      ARG   2 -12.219  -1.413  -2.444
   18    HG2  ARG   2           HG2      ARG   2 -12.783   0.443  -3.746
   19    HG3  ARG   2           HG3      ARG   2 -12.293   1.123  -2.195
   20    HD2  ARG   2           HD2      ARG   2  -9.993   1.423  -3.228
   21    HD3  ARG   2           HD3      ARG   2 -10.756   1.072  -4.780
   22    HE   ARG   2           HE       ARG   2 -12.090   3.151  -3.308
   23   HH11  ARG   2          HH11      ARG   2  -9.539   2.466  -5.625
   24   HH12  ARG   2          HH12      ARG   2  -9.379   4.122  -6.120
   25   HH21  ARG   2          HH21      ARG   2 -11.842   5.328  -3.949
   26   HH22  ARG   2          HH22      ARG   2 -10.684   5.732  -5.185
   27    H    TRP   3           HN       TRP   3  -9.357   1.535  -1.432
   28    HA   TRP   3           HA       TRP   3  -7.183   0.894  -3.166
   29    HB2  TRP   3           HB2      TRP   3  -6.447   3.266  -2.613
   30    HB3  TRP   3           HB3      TRP   3  -8.021   3.090  -3.378
   31    HD1  TRP   3           HD1      TRP   3 -10.186   3.318  -1.644
   32    HE1  TRP   3           HE1      TRP   3 -10.462   4.854   0.403
   33    HE3  TRP   3           HE3      TRP   3  -5.264   4.377  -0.792
   34    HZ2  TRP   3           HZ2      TRP   3  -8.782   6.332   2.146
   35    HZ3  TRP   3           HZ3      TRP   3  -4.682   5.861   1.083
   36    HH2  TRP   3           HH2      TRP   3  -6.406   6.813   2.515
   37    H    ARG   4           HN       ARG   4  -7.574   1.100   0.297
   38    HA   ARG   4           HA       ARG   4  -4.901   1.428   1.040
   39    HB2  ARG   4           HB2      ARG   4  -7.234   0.181   2.457
   40    HB3  ARG   4           HB3      ARG   4  -5.642   0.239   3.185
   41    HG2  ARG   4           HG2      ARG   4  -7.100   2.668   2.215
   42    HG3  ARG   4           HG3      ARG   4  -7.225   2.044   3.859
   43    HD2  ARG   4           HD2      ARG   4  -4.660   2.203   3.903
   44    HD3  ARG   4           HD3      ARG   4  -4.831   3.220   2.468
   45    HE   ARG   4           HE       ARG   4  -6.584   4.157   4.426
   46   HH11  ARG   4          HH11      ARG   4  -3.145   3.943   3.845
   47   HH12  ARG   4          HH12      ARG   4  -2.763   5.313   4.844
   48   HH21  ARG   4          HH21      ARG   4  -6.095   6.006   5.675
   49   HH22  ARG   4          HH22      ARG   4  -4.439   6.516   5.839
   50    H    ARG   5           HN       ARG   5  -6.602  -1.399  -0.046
   51    HA   ARG   5           HA       ARG   5  -4.978  -3.449   0.873
   52    HB2  ARG   5           HB2      ARG   5  -6.429  -3.141  -1.753
   53    HB3  ARG   5           HB3      ARG   5  -5.607  -4.620  -1.286
   54    HG2  ARG   5           HG2      ARG   5  -7.065  -4.817   0.662
   55    HG3  ARG   5           HG3      ARG   5  -7.908  -3.342   0.175
   56    HD2  ARG   5           HD2      ARG   5  -8.655  -4.378  -1.862
   57    HD3  ARG   5           HD3      ARG   5  -7.664  -5.802  -1.552
   58    HE   ARG   5           HE       ARG   5  -9.433  -5.484   0.590
   59   HH11  ARG   5          HH11      ARG   5  -9.527  -6.244  -2.829
   60   HH12  ARG   5          HH12      ARG   5 -10.936  -7.243  -2.698
   61   HH21  ARG   5          HH21      ARG   5 -11.272  -6.807   0.773
   62   HH22  ARG   5          HH22      ARG   5 -11.931  -7.583  -0.644
   63    H    TRP   6           HN       TRP   6  -4.695  -1.794  -2.256
   64    HA   TRP   6           HA       TRP   6  -2.184  -3.010  -2.874
   65    HB2  TRP   6           HB2      TRP   6  -3.194  -0.513  -4.211
   66    HB3  TRP   6           HB3      TRP   6  -2.332  -1.880  -4.918
   67    HD1  TRP   6           HD1      TRP   6  -3.990  -4.315  -4.544
   68    HE1  TRP   6           HE1      TRP   6  -6.433  -4.534  -5.294
   69    HE3  TRP   6           HE3      TRP   6  -5.200   0.656  -4.866
   70    HZ2  TRP   6           HZ2      TRP   6  -8.592  -2.829  -5.951
   71    HZ3  TRP   6           HZ3      TRP   6  -7.477   1.264  -5.568
   72    HH2  TRP   6           HH2      TRP   6  -9.135  -0.443  -6.099
   73    H    TRP   7           HN       TRP   7  -3.272  -0.021  -1.474
   74    HA   TRP   7           HA       TRP   7  -1.051   1.596  -1.422
   75    HB2  TRP   7           HB2      TRP   7  -3.264   2.213  -0.587
   76    HB3  TRP   7           HB3      TRP   7  -3.105   1.080   0.745
   77    HD1  TRP   7           HD1      TRP   7  -1.398   1.778   2.737
   78    HE1  TRP   7           HE1      TRP   7  -0.659   4.112   3.539
   79    HE3  TRP   7           HE3      TRP   7  -2.712   4.492  -1.380
   80    HZ2  TRP   7           HZ2      TRP   7  -0.652   6.750   2.550
   81    HZ3  TRP   7           HZ3      TRP   7  -2.313   6.919  -1.376
   82    HH2  TRP   7           HH2      TRP   7  -1.302   8.028   0.550
   83    H    ARG   8           HN       ARG   8  -1.902  -0.961   0.903
   84    HA   ARG   8           HA       ARG   8   0.327  -0.585   2.591
   85    HB2  ARG   8           HB2      ARG   8  -1.346  -3.077   2.207
   86    HB3  ARG   8           HB3      ARG   8  -0.269  -2.755   3.560
   87    HG2  ARG   8           HG2      ARG   8  -1.673  -0.830   4.190
   88    HG3  ARG   8           HG3      ARG   8  -2.767  -1.229   2.862
   89    HD2  ARG   8           HD2      ARG   8  -2.118  -2.977   5.233
   90    HD3  ARG   8           HD3      ARG   8  -3.621  -2.093   4.970
   91    HE   ARG   8           HE       ARG   8  -3.019  -3.867   2.819
   92   HH11  ARG   8          HH11      ARG   8  -4.363  -3.720   6.051
   93   HH12  ARG   8          HH12      ARG   8  -5.336  -5.153   5.842
   94   HH21  ARG   8          HH21      ARG   8  -4.272  -5.733   2.531
   95   HH22  ARG   8          HH22      ARG   8  -5.292  -6.298   3.824
   96    H    ARG   9           HN       ARG   9  -0.202  -2.606  -0.234
   97    HA   ARG   9           HA       ARG   9   2.174  -4.147   0.125
   98    HB2  ARG   9           HB2      ARG   9   0.320  -3.837  -2.221
   99    HB3  ARG   9           HB3      ARG   9   1.715  -4.909  -2.234
  100    HG2  ARG   9           HG2      ARG   9   0.797  -6.077  -0.264
  101    HG3  ARG   9           HG3      ARG   9  -0.627  -5.048  -0.348
  102    HD2  ARG   9           HD2      ARG   9  -1.223  -5.962  -2.493
  103    HD3  ARG   9           HD3      ARG   9   0.281  -6.886  -2.556
  104    HE   ARG   9           HE       ARG   9  -0.854  -7.747  -0.261
  105   HH11  ARG   9          HH11      ARG   9  -2.084  -7.509  -3.549
  106   HH12  ARG   9          HH12      ARG   9  -3.154  -8.870  -3.364
  107   HH21  ARG   9          HH21      ARG   9  -2.215  -9.544  -0.053
  108   HH22  ARG   9          HH22      ARG   9  -3.260 -10.002  -1.365
  109    H    TRP  10           HN       TRP  10   1.336  -1.250  -1.667
  110    HA   TRP  10           HA       TRP  10   3.770  -0.891  -3.027
  111    HB2  TRP  10           HB2      TRP  10   2.326   0.681  -3.803
  112    HB3  TRP  10           HB3      TRP  10   1.458   0.776  -2.274
  113    HD1  TRP  10           HD1      TRP  10   2.179   2.649  -0.564
  114    HE1  TRP  10           HE1      TRP  10   3.669   4.722  -0.758
  115    HE3  TRP  10           HE3      TRP  10   4.476   1.601  -5.014
  116    HZ2  TRP  10           HZ2      TRP  10   5.566   5.791  -2.540
  117    HZ3  TRP  10           HZ3      TRP  10   6.112   3.211  -5.896
  118    HH2  TRP  10           HH2      TRP  10   6.641   5.264  -4.683
  119    H    TRP  11           HN       TRP  11   2.763  -0.094   0.233
  120    HA   TRP  11           HA       TRP  11   4.887   1.573   0.982
  121    HB2  TRP  11           HB2      TRP  11   2.576   0.870   2.132
  122    HB3  TRP  11           HB3      TRP  11   3.653  -0.204   3.020
  123    HD1  TRP  11           HD1      TRP  11   2.275   3.183   3.155
  124    HE1  TRP  11           HE1      TRP  11   3.571   4.650   4.831
  125    HE3  TRP  11           HE3      TRP  11   6.343   0.201   3.814
  126    HZ2  TRP  11           HZ2      TRP  11   6.010   4.524   6.268
  127    HZ3  TRP  11           HZ3      TRP  11   8.115   0.919   5.364
  128    HH2  TRP  11           HH2      TRP  11   7.955   3.043   6.565
  129    H    ARG  12           HN       ARG  12   4.471  -1.913   1.702
  130    HA   ARG  12           HA       ARG  12   6.960  -2.099   3.025
  131    HB2  ARG  12           HB2      ARG  12   5.176  -3.668   3.521
  132    HB3  ARG  12           HB3      ARG  12   5.207  -4.274   1.869
  133    HG2  ARG  12           HG2      ARG  12   6.314  -5.793   3.426
  134    HG3  ARG  12           HG3      ARG  12   7.434  -5.171   2.215
  135    HD2  ARG  12           HD2      ARG  12   8.603  -5.072   4.256
  136    HD3  ARG  12           HD3      ARG  12   8.090  -3.418   3.933
  137    HE   ARG  12           HE       ARG  12   6.471  -5.113   5.701
  138   HH11  ARG  12          HH11      ARG  12   8.521  -2.308   5.240
  139   HH12  ARG  12          HH12      ARG  12   8.224  -1.673   6.821
  140   HH21  ARG  12          HH21      ARG  12   6.103  -4.277   7.808
  141   HH22  ARG  12          HH22      ARG  12   6.869  -2.784   8.278
  142    H    ARG  13           HN       ARG  13   6.041  -2.551  -0.327
  143    HA   ARG  13           HA       ARG  13   8.475  -3.822  -1.090
  144    HB2  ARG  13           HB2      ARG  13   6.375  -2.419  -2.739
  145    HB3  ARG  13           HB3      ARG  13   7.761  -3.259  -3.425
  146    HG2  ARG  13           HG2      ARG  13   7.000  -5.343  -2.404
  147    HG3  ARG  13           HG3      ARG  13   5.608  -4.497  -1.725
  148    HD2  ARG  13           HD2      ARG  13   4.877  -3.918  -4.003
  149    HD3  ARG  13           HD3      ARG  13   6.240  -4.824  -4.656
  150    HE   ARG  13           HE       ARG  13   5.005  -6.666  -3.146
  151   HH11  ARG  13          HH11      ARG  13   3.776  -4.430  -5.566
  152   HH12  ARG  13          HH12      ARG  13   2.519  -5.515  -6.083
  153   HH21  ARG  13          HH21      ARG  13   3.322  -8.051  -3.804
  154   HH22  ARG  13          HH22      ARG  13   2.240  -7.551  -5.074
  155    H    TRP  14           HN       TRP  14   7.247  -0.517  -1.729
  156    HA   TRP  14           HA       TRP  14   9.737   0.254  -2.897
  157    HB2  TRP  14           HB2      TRP  14   7.426   1.148  -3.488
  158    HB3  TRP  14           HB3      TRP  14   7.550   2.137  -2.037
  159    HD1  TRP  14           HD1      TRP  14   8.935   1.813  -5.567
  160    HE1  TRP  14           HE1      TRP  14  10.253   3.945  -6.140
  161    HE3  TRP  14           HE3      TRP  14   8.935   4.036  -0.954
  162    HZ2  TRP  14           HZ2      TRP  14  11.168   6.257  -4.813
  163    HZ3  TRP  14           HZ3      TRP  14  10.061   6.206  -0.698
  164    HH2  TRP  14           HH2      TRP  14  11.155   7.289  -2.592
  165    H    ARG  15           HN       ARG  15   8.056   1.338   0.053
  166    HA   ARG  15           HA       ARG  15  10.295   2.886   0.932
  167    HB2  ARG  15           HB2      ARG  15   7.697   2.080   2.213
  168    HB3  ARG  15           HB3      ARG  15   8.945   2.902   3.129
  169    HG2  ARG  15           HG2      ARG  15   7.640   4.665   2.494
  170    HG3  ARG  15           HG3      ARG  15   8.821   4.639   1.186
  171    HD2  ARG  15           HD2      ARG  15   7.250   3.422  -0.227
  172    HD3  ARG  15           HD3      ARG  15   6.085   3.376   1.096
  173    HE   ARG  15           HE       ARG  15   6.756   5.667  -0.575
  174   HH11  ARG  15          HH11      ARG  15   5.124   4.477   2.301
  175   HH12  ARG  15          HH12      ARG  15   4.107   5.876   2.462
  176   HH21  ARG  15          HH21      ARG  15   5.413   7.493  -0.381
  177   HH22  ARG  15          HH22      ARG  15   4.260   7.578   0.914
  178    H    ARG  16           HN       ARG  16   8.727  -0.029   2.180
  179    HA   ARG  16           HA       ARG  16   9.439  -1.783   3.412
  180    HB2  ARG  16           HB2      ARG  16  11.070  -1.959   1.517
  181    HB3  ARG  16           HB3      ARG  16  12.215  -1.044   2.493
  182    HG2  ARG  16           HG2      ARG  16  12.220  -2.790   4.177
  183    HG3  ARG  16           HG3      ARG  16  10.998  -3.686   3.273
  184    HD2  ARG  16           HD2      ARG  16  12.573  -3.873   1.384
  185    HD3  ARG  16           HD3      ARG  16  13.803  -3.057   2.354
  186    HE   ARG  16           HE       ARG  16  12.907  -5.214   3.847
  187   HH11  ARG  16          HH11      ARG  16  14.563  -4.684   0.801
  188   HH12  ARG  16          HH12      ARG  16  15.398  -6.206   0.849
  189   HH21  ARG  16          HH21      ARG  16  13.989  -7.181   3.919
  190   HH22  ARG  16          HH22      ARG  16  15.059  -7.644   2.629
  Start of MODEL    6
    1    H    ARG   1           HN       ARG   1 -13.315   0.914   1.351
    2    HA   ARG   1           HA       ARG   1 -10.889   2.504   1.050
    3    HB2  ARG   1           HB2      ARG   1 -11.786   0.443   3.047
    4    HB3  ARG   1           HB3      ARG   1 -10.112   0.977   2.978
    5    HG2  ARG   1           HG2      ARG   1 -10.807   3.269   3.405
    6    HG3  ARG   1           HG3      ARG   1 -12.497   2.762   3.426
    7    HD2  ARG   1           HD2      ARG   1 -10.435   1.604   5.283
    8    HD3  ARG   1           HD3      ARG   1 -11.353   3.056   5.676
    9    HE   ARG   1           HE       ARG   1 -13.259   1.223   5.003
   10   HH11  ARG   1          HH11      ARG   1 -10.566   1.141   7.273
   11   HH12  ARG   1          HH12      ARG   1 -11.448   0.213   8.449
   12   HH21  ARG   1          HH21      ARG   1 -14.399   0.036   6.596
   13   HH22  ARG   1          HH22      ARG   1 -13.604  -0.394   8.080
   14    H    ARG   2           HN       ARG   2 -11.726   0.712  -1.065
   15    HA   ARG   2           HA       ARG   2 -10.307  -1.694  -1.096
   16    HB2  ARG   2           HB2      ARG   2 -10.453  -1.301  -3.684
   17    HB3  ARG   2           HB3      ARG   2 -11.892  -1.648  -2.740
   18    HG2  ARG   2           HG2      ARG   2 -12.468   0.096  -4.217
   19    HG3  ARG   2           HG3      ARG   2 -12.292   0.839  -2.632
   20    HD2  ARG   2           HD2      ARG   2  -9.961   1.493  -3.308
   21    HD3  ARG   2           HD3      ARG   2 -10.344   0.922  -4.931
   22    HE   ARG   2           HE       ARG   2 -12.145   2.907  -3.793
   23   HH11  ARG   2          HH11      ARG   2  -9.462   2.229  -5.931
   24   HH12  ARG   2          HH12      ARG   2  -9.594   3.729  -6.795
   25   HH21  ARG   2          HH21      ARG   2 -12.345   4.867  -4.908
   26   HH22  ARG   2          HH22      ARG   2 -11.251   5.244  -6.213
   27    H    TRP   3           HN       TRP   3  -9.229   1.536  -1.664
   28    HA   TRP   3           HA       TRP   3  -6.936   0.887  -3.210
   29    HB2  TRP   3           HB2      TRP   3  -6.236   3.240  -2.715
   30    HB3  TRP   3           HB3      TRP   3  -7.841   3.091  -3.422
   31    HD1  TRP   3           HD1      TRP   3  -9.950   3.432  -1.659
   32    HE1  TRP   3           HE1      TRP   3 -10.117   4.928   0.437
   33    HE3  TRP   3           HE3      TRP   3  -4.966   4.222  -0.842
   34    HZ2  TRP   3           HZ2      TRP   3  -8.353   6.274   2.185
   35    HZ3  TRP   3           HZ3      TRP   3  -4.289   5.625   1.060
   36    HH2  TRP   3           HH2      TRP   3  -5.949   6.628   2.543
   37    H    ARG   4           HN       ARG   4  -7.527   1.155   0.217
   38    HA   ARG   4           HA       ARG   4  -4.904   1.351   1.148
   39    HB2  ARG   4           HB2      ARG   4  -7.380   0.163   2.358
   40    HB3  ARG   4           HB3      ARG   4  -5.840   0.159   3.207
   41    HG2  ARG   4           HG2      ARG   4  -7.148   2.655   2.154
   42    HG3  ARG   4           HG3      ARG   4  -7.366   2.051   3.799
   43    HD2  ARG   4           HD2      ARG   4  -4.712   2.764   2.543
   44    HD3  ARG   4           HD3      ARG   4  -5.620   3.803   3.637
   45    HE   ARG   4           HE       ARG   4  -5.149   1.256   4.819
   46   HH11  ARG   4          HH11      ARG   4  -3.623   4.313   4.081
   47   HH12  ARG   4          HH12      ARG   4  -2.403   4.155   5.309
   48   HH21  ARG   4          HH21      ARG   4  -3.554   1.043   6.467
   49   HH22  ARG   4          HH22      ARG   4  -2.391   2.314   6.692
   50    H    ARG   5           HN       ARG   5  -6.649  -1.354  -0.107
   51    HA   ARG   5           HA       ARG   5  -5.121  -3.495   0.815
   52    HB2  ARG   5           HB2      ARG   5  -7.217  -3.744  -0.451
   53    HB3  ARG   5           HB3      ARG   5  -6.415  -3.139  -1.894
   54    HG2  ARG   5           HG2      ARG   5  -4.838  -5.092  -1.691
   55    HG3  ARG   5           HG3      ARG   5  -5.930  -5.732  -0.462
   56    HD2  ARG   5           HD2      ARG   5  -6.656  -5.073  -3.312
   57    HD3  ARG   5           HD3      ARG   5  -6.381  -6.690  -2.669
   58    HE   ARG   5           HE       ARG   5  -8.513  -5.050  -1.504
   59   HH11  ARG   5          HH11      ARG   5  -7.520  -7.792  -3.431
   60   HH12  ARG   5          HH12      ARG   5  -9.093  -8.529  -3.457
   61   HH21  ARG   5          HH21      ARG   5 -10.610  -6.004  -1.542
   62   HH22  ARG   5          HH22      ARG   5 -10.845  -7.518  -2.377
   63    H    TRP   6           HN       TRP   6  -4.741  -1.722  -2.262
   64    HA   TRP   6           HA       TRP   6  -2.257  -2.986  -2.894
   65    HB2  TRP   6           HB2      TRP   6  -3.198  -0.398  -4.105
   66    HB3  TRP   6           HB3      TRP   6  -2.269  -1.692  -4.858
   67    HD1  TRP   6           HD1      TRP   6  -3.901  -4.174  -4.727
   68    HE1  TRP   6           HE1      TRP   6  -6.283  -4.385  -5.649
   69    HE3  TRP   6           HE3      TRP   6  -5.164   0.782  -4.820
   70    HZ2  TRP   6           HZ2      TRP   6  -8.420  -2.672  -6.347
   71    HZ3  TRP   6           HZ3      TRP   6  -7.404   1.412  -5.642
   72    HH2  TRP   6           HH2      TRP   6  -8.994  -0.281  -6.387
   73    H    TRP   7           HN       TRP   7  -3.248  -0.047  -1.349
   74    HA   TRP   7           HA       TRP   7  -1.025   1.550  -1.319
   75    HB2  TRP   7           HB2      TRP   7  -3.179   2.164  -0.391
   76    HB3  TRP   7           HB3      TRP   7  -3.000   0.978   0.891
   77    HD1  TRP   7           HD1      TRP   7  -1.225   1.578   2.855
   78    HE1  TRP   7           HE1      TRP   7  -0.423   3.856   3.737
   79    HE3  TRP   7           HE3      TRP   7  -2.593   4.487  -1.108
   80    HZ2  TRP   7           HZ2      TRP   7  -0.389   6.527   2.866
   81    HZ3  TRP   7           HZ3      TRP   7  -2.138   6.907  -1.006
   82    HH2  TRP   7           HH2      TRP   7  -1.053   7.903   0.944
   83    H    ARG   8           HN       ARG   8  -1.770  -1.003   1.046
   84    HA   ARG   8           HA       ARG   8   0.592  -0.581   2.548
   85    HB2  ARG   8           HB2      ARG   8  -0.009  -2.623   3.739
   86    HB3  ARG   8           HB3      ARG   8  -1.408  -1.583   3.531
   87    HG2  ARG   8           HG2      ARG   8  -2.068  -2.994   1.578
   88    HG3  ARG   8           HG3      ARG   8  -0.760  -4.095   2.012
   89    HD2  ARG   8           HD2      ARG   8  -2.794  -4.937   2.957
   90    HD3  ARG   8           HD3      ARG   8  -1.786  -4.325   4.268
   91    HE   ARG   8           HE       ARG   8  -3.575  -2.320   3.360
   92   HH11  ARG   8          HH11      ARG   8  -3.449  -5.251   5.267
   93   HH12  ARG   8          HH12      ARG   8  -4.840  -4.842   6.225
   94   HH21  ARG   8          HH21      ARG   8  -5.420  -1.784   4.610
   95   HH22  ARG   8          HH22      ARG   8  -5.971  -2.877   5.843
   96    H    ARG   9           HN       ARG   9  -0.168  -2.637  -0.186
   97    HA   ARG   9           HA       ARG   9   2.143  -4.280  -0.024
   98    HB2  ARG   9           HB2      ARG   9   0.196  -3.642  -2.199
   99    HB3  ARG   9           HB3      ARG   9   1.656  -4.543  -2.566
  100    HG2  ARG   9           HG2      ARG   9   0.995  -6.210  -0.859
  101    HG3  ARG   9           HG3      ARG   9  -0.516  -5.324  -0.639
  102    HD2  ARG   9           HD2      ARG   9  -0.720  -7.271  -2.170
  103    HD3  ARG   9           HD3      ARG   9  -1.159  -5.731  -2.910
  104    HE   ARG   9           HE       ARG   9   1.307  -5.855  -3.743
  105   HH11  ARG   9          HH11      ARG   9  -0.884  -8.581  -3.437
  106   HH12  ARG   9          HH12      ARG   9  -0.208  -9.432  -4.793
  107   HH21  ARG   9          HH21      ARG   9   2.195  -6.973  -5.498
  108   HH22  ARG   9          HH22      ARG   9   1.554  -8.523  -5.955
  109    H    TRP  10           HN       TRP  10   1.372  -1.288  -1.709
  110    HA   TRP  10           HA       TRP  10   3.819  -0.940  -3.047
  111    HB2  TRP  10           HB2      TRP  10   2.235   0.524  -3.828
  112    HB3  TRP  10           HB3      TRP  10   1.562   0.823  -2.229
  113    HD1  TRP  10           HD1      TRP  10   2.364   2.945  -0.971
  114    HE1  TRP  10           HE1      TRP  10   4.004   4.854  -1.511
  115    HE3  TRP  10           HE3      TRP  10   4.574   0.964  -5.127
  116    HZ2  TRP  10           HZ2      TRP  10   5.990   5.430  -3.429
  117    HZ3  TRP  10           HZ3      TRP  10   6.333   2.260  -6.262
  118    HH2  TRP  10           HH2      TRP  10   7.024   4.446  -5.432
  119    H    TRP  11           HN       TRP  11   2.718   0.147   0.118
  120    HA   TRP  11           HA       TRP  11   4.862   1.710   0.898
  121    HB2  TRP  11           HB2      TRP  11   2.562   1.139   2.049
  122    HB3  TRP  11           HB3      TRP  11   3.510  -0.098   2.869
  123    HD1  TRP  11           HD1      TRP  11   2.383   3.318   3.350
  124    HE1  TRP  11           HE1      TRP  11   3.795   4.549   5.127
  125    HE3  TRP  11           HE3      TRP  11   6.314   0.097   3.597
  126    HZ2  TRP  11           HZ2      TRP  11   6.272   4.169   6.463
  127    HZ3  TRP  11           HZ3      TRP  11   8.163   0.581   5.148
  128    HH2  TRP  11           HH2      TRP  11   8.147   2.575   6.544
  129    H    ARG  12           HN       ARG  12   4.367  -1.719   1.745
  130    HA   ARG  12           HA       ARG  12   6.871  -1.953   3.002
  131    HB2  ARG  12           HB2      ARG  12   4.911  -3.439   3.414
  132    HB3  ARG  12           HB3      ARG  12   5.201  -4.189   1.848
  133    HG2  ARG  12           HG2      ARG  12   6.132  -5.558   3.584
  134    HG3  ARG  12           HG3      ARG  12   7.440  -4.869   2.623
  135    HD2  ARG  12           HD2      ARG  12   8.136  -4.635   4.858
  136    HD3  ARG  12           HD3      ARG  12   7.560  -3.039   4.384
  137    HE   ARG  12           HE       ARG  12   5.575  -4.693   5.682
  138   HH11  ARG  12          HH11      ARG  12   8.035  -2.201   6.108
  139   HH12  ARG  12          HH12      ARG  12   7.494  -1.809   7.715
  140   HH21  ARG  12          HH21      ARG  12   4.886  -4.129   7.788
  141   HH22  ARG  12          HH22      ARG  12   5.732  -2.888   8.666
  142    H    ARG  13           HN       ARG  13   5.915  -2.324  -0.341
  143    HA   ARG  13           HA       ARG  13   8.187  -3.812  -1.155
  144    HB2  ARG  13           HB2      ARG  13   6.196  -3.937  -2.452
  145    HB3  ARG  13           HB3      ARG  13   6.122  -2.191  -2.629
  146    HG2  ARG  13           HG2      ARG  13   6.853  -3.177  -4.674
  147    HG3  ARG  13           HG3      ARG  13   8.175  -2.268  -3.944
  148    HD2  ARG  13           HD2      ARG  13   9.047  -4.402  -3.006
  149    HD3  ARG  13           HD3      ARG  13   7.794  -5.257  -3.903
  150    HE   ARG  13           HE       ARG  13   8.879  -4.192  -5.934
  151   HH11  ARG  13          HH11      ARG  13  10.640  -5.063  -3.037
  152   HH12  ARG  13          HH12      ARG  13  12.157  -5.256  -3.862
  153   HH21  ARG  13          HH21      ARG  13  10.872  -4.423  -7.016
  154   HH22  ARG  13          HH22      ARG  13  12.293  -4.870  -6.118
  155    H    TRP  14           HN       TRP  14   7.278  -0.404  -1.796
  156    HA   TRP  14           HA       TRP  14   9.883   0.163  -2.856
  157    HB2  TRP  14           HB2      TRP  14   7.737   1.265  -3.602
  158    HB3  TRP  14           HB3      TRP  14   7.751   2.158  -2.085
  159    HD1  TRP  14           HD1      TRP  14   9.415   2.040  -5.506
  160    HE1  TRP  14           HE1      TRP  14  10.887   4.128  -5.810
  161    HE3  TRP  14           HE3      TRP  14   9.191   3.895  -0.745
  162    HZ2  TRP  14           HZ2      TRP  14  11.819   6.280  -4.240
  163    HZ3  TRP  14           HZ3      TRP  14  10.393   5.976  -0.230
  164    HH2  TRP  14           HH2      TRP  14  11.683   7.146  -1.945
  165    H    ARG  15           HN       ARG  15   8.114   1.281   0.010
  166    HA   ARG  15           HA       ARG  15  10.354   2.772   0.976
  167    HB2  ARG  15           HB2      ARG  15   7.675   2.088   2.187
  168    HB3  ARG  15           HB3      ARG  15   8.892   3.017   3.043
  169    HG2  ARG  15           HG2      ARG  15   7.508   4.634   2.166
  170    HG3  ARG  15           HG3      ARG  15   8.825   4.576   0.995
  171    HD2  ARG  15           HD2      ARG  15   7.393   2.982  -0.349
  172    HD3  ARG  15           HD3      ARG  15   6.071   3.365   0.753
  173    HE   ARG  15           HE       ARG  15   6.987   4.950  -1.422
  174   HH11  ARG  15          HH11      ARG  15   5.643   5.193   1.808
  175   HH12  ARG  15          HH12      ARG  15   5.018   6.800   1.567
  176   HH21  ARG  15          HH21      ARG  15   6.156   7.043  -1.758
  177   HH22  ARG  15          HH22      ARG  15   5.292   7.838  -0.473
  178    H    ARG  16           HN       ARG  16   8.869  -0.295   1.705
  179    HA   ARG  16           HA       ARG  16   9.451  -2.093   2.910
  180    HB2  ARG  16           HB2      ARG  16  11.575  -2.030   1.701
  181    HB3  ARG  16           HB3      ARG  16  12.239  -0.923   2.900
  182    HG2  ARG  16           HG2      ARG  16  11.921  -2.648   4.627
  183    HG3  ARG  16           HG3      ARG  16  11.333  -3.753   3.391
  184    HD2  ARG  16           HD2      ARG  16  13.480  -3.716   2.284
  185    HD3  ARG  16           HD3      ARG  16  14.078  -2.511   3.431
  186    HE   ARG  16           HE       ARG  16  13.495  -4.346   5.148
  187   HH11  ARG  16          HH11      ARG  16  14.875  -4.879   1.960
  188   HH12  ARG  16          HH12      ARG  16  15.562  -6.422   2.385
  189   HH21  ARG  16          HH21      ARG  16  14.405  -6.342   5.715
  190   HH22  ARG  16          HH22      ARG  16  15.299  -7.250   4.530
  Start of MODEL    7
    1    H    ARG   1           HN       ARG   1 -12.596  -0.993   1.332
    2    HA   ARG   1           HA       ARG   1 -10.605   1.192   1.313
    3    HB2  ARG   1           HB2      ARG   1 -10.371  -1.396   2.831
    4    HB3  ARG   1           HB3      ARG   1  -9.484   0.094   3.093
    5    HG2  ARG   1           HG2      ARG   1 -11.319   1.134   4.122
    6    HG3  ARG   1           HG3      ARG   1 -12.450  -0.086   3.526
    7    HD2  ARG   1           HD2      ARG   1 -10.334  -0.391   5.644
    8    HD3  ARG   1           HD3      ARG   1 -12.080  -0.593   5.808
    9    HE   ARG   1           HE       ARG   1 -11.574  -2.469   4.031
   10   HH11  ARG   1          HH11      ARG   1  -9.928  -1.706   7.015
   11   HH12  ARG   1          HH12      ARG   1  -9.229  -3.292   7.185
   12   HH21  ARG   1          HH21      ARG   1 -10.630  -4.527   4.199
   13   HH22  ARG   1          HH22      ARG   1  -9.589  -4.890   5.549
   14    H    ARG   2           HN       ARG   2 -11.369  -0.635  -0.952
   15    HA   ARG   2           HA       ARG   2  -9.483  -2.669  -1.282
   16    HB2  ARG   2           HB2      ARG   2 -10.879  -1.068  -3.422
   17    HB3  ARG   2           HB3      ARG   2 -10.007  -2.570  -3.689
   18    HG2  ARG   2           HG2      ARG   2 -11.628  -3.506  -1.874
   19    HG3  ARG   2           HG3      ARG   2 -12.617  -2.115  -2.328
   20    HD2  ARG   2           HD2      ARG   2 -11.578  -4.234  -4.202
   21    HD3  ARG   2           HD3      ARG   2 -13.221  -4.140  -3.574
   22    HE   ARG   2           HE       ARG   2 -12.632  -1.719  -4.860
   23   HH11  ARG   2          HH11      ARG   2 -13.172  -5.111  -5.623
   24   HH12  ARG   2          HH12      ARG   2 -13.695  -4.780  -7.248
   25   HH21  ARG   2          HH21      ARG   2 -13.317  -1.318  -7.024
   26   HH22  ARG   2          HH22      ARG   2 -13.780  -2.662  -8.029
   27    H    TRP   3           HN       TRP   3  -9.256   0.723  -1.852
   28    HA   TRP   3           HA       TRP   3  -6.873   0.759  -3.377
   29    HB2  TRP   3           HB2      TRP   3  -6.780   3.166  -2.593
   30    HB3  TRP   3           HB3      TRP   3  -8.272   2.701  -3.404
   31    HD1  TRP   3           HD1      TRP   3 -10.502   2.607  -1.905
   32    HE1  TRP   3           HE1      TRP   3 -11.070   3.549   0.422
   33    HE3  TRP   3           HE3      TRP   3  -5.777   3.710  -0.313
   34    HZ2  TRP   3           HZ2      TRP   3  -9.684   4.628   2.645
   35    HZ3  TRP   3           HZ3      TRP   3  -5.476   4.690   1.919
   36    HH2  TRP   3           HH2      TRP   3  -7.391   5.129   3.370
   37    H    ARG   4           HN       ARG   4  -7.532   0.625   0.071
   38    HA   ARG   4           HA       ARG   4  -4.979   1.464   0.962
   39    HB2  ARG   4           HB2      ARG   4  -6.955   1.597   2.396
   40    HB3  ARG   4           HB3      ARG   4  -7.113  -0.156   2.358
   41    HG2  ARG   4           HG2      ARG   4  -6.134   0.316   4.410
   42    HG3  ARG   4           HG3      ARG   4  -4.796  -0.223   3.393
   43    HD2  ARG   4           HD2      ARG   4  -3.939   1.655   4.489
   44    HD3  ARG   4           HD3      ARG   4  -4.437   2.285   2.919
   45    HE   ARG   4           HE       ARG   4  -6.606   2.567   4.635
   46   HH11  ARG   4          HH11      ARG   4  -3.330   3.793   4.398
   47   HH12  ARG   4          HH12      ARG   4  -3.707   5.296   5.187
   48   HH21  ARG   4          HH21      ARG   4  -7.083   4.489   5.700
   49   HH22  ARG   4          HH22      ARG   4  -5.843   5.687   5.941
   50    H    ARG   5           HN       ARG   5  -6.375  -1.563   0.045
   51    HA   ARG   5           HA       ARG   5  -4.464  -3.366   0.966
   52    HB2  ARG   5           HB2      ARG   5  -6.499  -4.182   0.027
   53    HB3  ARG   5           HB3      ARG   5  -6.214  -3.344  -1.488
   54    HG2  ARG   5           HG2      ARG   5  -4.250  -4.849  -1.858
   55    HG3  ARG   5           HG3      ARG   5  -4.781  -5.767  -0.445
   56    HD2  ARG   5           HD2      ARG   5  -5.572  -6.654  -2.661
   57    HD3  ARG   5           HD3      ARG   5  -6.844  -6.330  -1.483
   58    HE   ARG   5           HE       ARG   5  -6.403  -4.068  -3.134
   59   HH11  ARG   5          HH11      ARG   5  -7.839  -7.252  -3.212
   60   HH12  ARG   5          HH12      ARG   5  -9.059  -6.818  -4.377
   61   HH21  ARG   5          HH21      ARG   5  -8.008  -3.486  -4.653
   62   HH22  ARG   5          HH22      ARG   5  -9.142  -4.677  -5.209
   63    H    TRP   6           HN       TRP   6  -4.589  -1.605  -2.147
   64    HA   TRP   6           HA       TRP   6  -2.091  -2.531  -3.096
   65    HB2  TRP   6           HB2      TRP   6  -3.475   0.069  -3.786
   66    HB3  TRP   6           HB3      TRP   6  -2.221  -0.727  -4.728
   67    HD1  TRP   6           HD1      TRP   6  -3.280  -3.627  -4.950
   68    HE1  TRP   6           HE1      TRP   6  -5.436  -4.159  -6.229
   69    HE3  TRP   6           HE3      TRP   6  -5.439   0.990  -4.835
   70    HZ2  TRP   6           HZ2      TRP   6  -7.755  -2.804  -7.096
   71    HZ3  TRP   6           HZ3      TRP   6  -7.626   1.295  -5.921
   72    HH2  TRP   6           HH2      TRP   6  -8.758  -0.561  -7.028
   73    H    TRP   7           HN       TRP   7  -3.113   0.334  -1.340
   74    HA   TRP   7           HA       TRP   7  -0.805   1.767  -1.041
   75    HB2  TRP   7           HB2      TRP   7  -2.802   2.633  -0.146
   76    HB3  TRP   7           HB3      TRP   7  -3.093   1.198   0.829
   77    HD1  TRP   7           HD1      TRP   7  -1.652   0.954   3.109
   78    HE1  TRP   7           HE1      TRP   7  -0.599   2.751   4.624
   79    HE3  TRP   7           HE3      TRP   7  -1.669   4.871  -0.175
   80    HZ2  TRP   7           HZ2      TRP   7   0.108   5.470   4.441
   81    HZ3  TRP   7           HZ3      TRP   7  -0.793   7.045   0.578
   82    HH2  TRP   7           HH2      TRP   7   0.080   7.333   2.843
   83    H    ARG   8           HN       ARG   8  -1.821  -1.017   0.927
   84    HA   ARG   8           HA       ARG   8   0.400  -0.986   2.666
   85    HB2  ARG   8           HB2      ARG   8  -1.527  -3.176   1.900
   86    HB3  ARG   8           HB3      ARG   8  -0.268  -3.396   3.106
   87    HG2  ARG   8           HG2      ARG   8  -1.253  -1.516   4.398
   88    HG3  ARG   8           HG3      ARG   8  -2.576  -1.466   3.229
   89    HD2  ARG   8           HD2      ARG   8  -3.112  -2.769   5.275
   90    HD3  ARG   8           HD3      ARG   8  -3.228  -3.712   3.790
   91    HE   ARG   8           HE       ARG   8  -0.832  -3.828   5.505
   92   HH11  ARG   8          HH11      ARG   8  -3.489  -5.387   3.854
   93   HH12  ARG   8          HH12      ARG   8  -2.873  -6.997   4.077
   94   HH21  ARG   8          HH21      ARG   8   0.007  -5.944   5.818
   95   HH22  ARG   8          HH22      ARG   8  -0.865  -7.309   5.180
   96    H    ARG   9           HN       ARG   9  -0.280  -2.929  -0.234
   97    HA   ARG   9           HA       ARG   9   2.112  -4.398  -0.224
   98    HB2  ARG   9           HB2      ARG   9   0.122  -4.943  -1.603
   99    HB3  ARG   9           HB3      ARG   9   0.461  -3.543  -2.611
  100    HG2  ARG   9           HG2      ARG   9   1.222  -5.633  -3.631
  101    HG3  ARG   9           HG3      ARG   9   2.549  -4.509  -3.334
  102    HD2  ARG   9           HD2      ARG   9   3.146  -5.739  -1.315
  103    HD3  ARG   9           HD3      ARG   9   1.808  -6.855  -1.590
  104    HE   ARG   9           HE       ARG   9   2.981  -7.459  -3.712
  105   HH11  ARG   9          HH11      ARG   9   4.750  -6.170  -0.983
  106   HH12  ARG   9          HH12      ARG   9   6.261  -6.904  -1.434
  107   HH21  ARG   9          HH21      ARG   9   4.964  -8.444  -4.314
  108   HH22  ARG   9          HH22      ARG   9   6.372  -8.216  -3.320
  109    H    TRP  10           HN       TRP  10   1.289  -1.293  -1.704
  110    HA   TRP  10           HA       TRP  10   3.719  -0.790  -3.015
  111    HB2  TRP  10           HB2      TRP  10   2.049   0.649  -3.672
  112    HB3  TRP  10           HB3      TRP  10   1.408   0.819  -2.042
  113    HD1  TRP  10           HD1      TRP  10   2.171   2.890  -0.666
  114    HE1  TRP  10           HE1      TRP  10   3.695   4.906  -1.134
  115    HE3  TRP  10           HE3      TRP  10   4.268   1.309  -5.041
  116    HZ2  TRP  10           HZ2      TRP  10   5.535   5.727  -3.108
  117    HZ3  TRP  10           HZ3      TRP  10   5.895   2.771  -6.172
  118    HH2  TRP  10           HH2      TRP  10   6.514   4.938  -5.221
  119    H    TRP  11           HN       TRP  11   2.637  -0.053   0.255
  120    HA   TRP  11           HA       TRP  11   4.733   1.647   1.001
  121    HB2  TRP  11           HB2      TRP  11   2.404   0.926   2.139
  122    HB3  TRP  11           HB3      TRP  11   3.496  -0.090   3.075
  123    HD1  TRP  11           HD1      TRP  11   1.982   3.215   3.161
  124    HE1  TRP  11           HE1      TRP  11   3.214   4.788   4.789
  125    HE3  TRP  11           HE3      TRP  11   6.254   0.500   3.812
  126    HZ2  TRP  11           HZ2      TRP  11   5.690   4.857   6.163
  127    HZ3  TRP  11           HZ3      TRP  11   8.009   1.383   5.298
  128    HH2  TRP  11           HH2      TRP  11   7.733   3.519   6.446
  129    H    ARG  12           HN       ARG  12   4.277  -1.813   1.804
  130    HA   ARG  12           HA       ARG  12   6.746  -2.086   3.126
  131    HB2  ARG  12           HB2      ARG  12   5.045  -3.698   3.564
  132    HB3  ARG  12           HB3      ARG  12   4.917  -4.122   1.862
  133    HG2  ARG  12           HG2      ARG  12   6.080  -5.857   3.084
  134    HG3  ARG  12           HG3      ARG  12   7.168  -5.082   1.935
  135    HD2  ARG  12           HD2      ARG  12   7.825  -3.589   3.953
  136    HD3  ARG  12           HD3      ARG  12   7.101  -4.868   4.925
  137    HE   ARG  12           HE       ARG  12   8.874  -6.076   3.145
  138   HH11  ARG  12          HH11      ARG  12   8.946  -3.929   5.907
  139   HH12  ARG  12          HH12      ARG  12  10.616  -4.253   6.278
  140   HH21  ARG  12          HH21      ARG  12  11.046  -6.551   3.641
  141   HH22  ARG  12          HH22      ARG  12  11.811  -5.763   4.991
  142    H    ARG  13           HN       ARG  13   5.851  -2.562  -0.252
  143    HA   ARG  13           HA       ARG  13   8.222  -3.908  -0.979
  144    HB2  ARG  13           HB2      ARG  13   6.191  -4.209  -2.238
  145    HB3  ARG  13           HB3      ARG  13   6.107  -2.489  -2.592
  146    HG2  ARG  13           HG2      ARG  13   8.197  -2.686  -3.856
  147    HG3  ARG  13           HG3      ARG  13   8.175  -4.425  -3.564
  148    HD2  ARG  13           HD2      ARG  13   6.063  -4.621  -4.733
  149    HD3  ARG  13           HD3      ARG  13   6.010  -2.879  -4.980
  150    HE   ARG  13           HE       ARG  13   8.316  -4.310  -6.059
  151   HH11  ARG  13          HH11      ARG  13   5.216  -2.786  -6.642
  152   HH12  ARG  13          HH12      ARG  13   5.471  -2.617  -8.351
  153   HH21  ARG  13          HH21      ARG  13   8.657  -4.127  -8.285
  154   HH22  ARG  13          HH22      ARG  13   7.444  -3.404  -9.299
  155    H    TRP  14           HN       TRP  14   7.075  -0.596  -1.681
  156    HA   TRP  14           HA       TRP  14   9.541   0.067  -2.968
  157    HB2  TRP  14           HB2      TRP  14   7.214   0.981  -3.494
  158    HB3  TRP  14           HB3      TRP  14   7.454   2.048  -2.116
  159    HD1  TRP  14           HD1      TRP  14   8.989   1.287  -5.561
  160    HE1  TRP  14           HE1      TRP  14  10.191   3.399  -6.406
  161    HE3  TRP  14           HE3      TRP  14   8.441   4.215  -1.432
  162    HZ2  TRP  14           HZ2      TRP  14  10.809   5.982  -5.445
  163    HZ3  TRP  14           HZ3      TRP  14   9.359   6.498  -1.469
  164    HH2  TRP  14           HH2      TRP  14  10.520   7.361  -3.436
  165    H    ARG  15           HN       ARG  15   8.006   1.167   0.041
  166    HA   ARG  15           HA       ARG  15  10.156   2.953   0.633
  167    HB2  ARG  15           HB2      ARG  15   7.688   2.134   2.121
  168    HB3  ARG  15           HB3      ARG  15   8.935   3.086   2.905
  169    HG2  ARG  15           HG2      ARG  15   7.465   4.692   2.154
  170    HG3  ARG  15           HG3      ARG  15   8.687   4.664   0.884
  171    HD2  ARG  15           HD2      ARG  15   7.216   3.104  -0.390
  172    HD3  ARG  15           HD3      ARG  15   5.976   3.355   0.842
  173    HE   ARG  15           HE       ARG  15   6.719   5.151  -1.273
  174   HH11  ARG  15          HH11      ARG  15   5.287   4.935   1.919
  175   HH12  ARG  15          HH12      ARG  15   4.432   6.444   1.779
  176   HH21  ARG  15          HH21      ARG  15   5.586   7.137  -1.459
  177   HH22  ARG  15          HH22      ARG  15   4.613   7.690  -0.134
  178    H    ARG  16           HN       ARG  16   9.398  -0.329   1.588
  179    HA   ARG  16           HA       ARG  16  11.546  -0.192   3.583
  180    HB2  ARG  16           HB2      ARG  16   9.359  -2.241   3.197
  181    HB3  ARG  16           HB3      ARG  16  10.637  -2.376   4.400
  182    HG2  ARG  16           HG2      ARG  16   8.650  -0.112   4.251
  183    HG3  ARG  16           HG3      ARG  16   8.483  -1.526   5.292
  184    HD2  ARG  16           HD2      ARG  16   9.371   0.335   6.563
  185    HD3  ARG  16           HD3      ARG  16  10.601  -0.921   6.407
  186    HE   ARG  16           HE       ARG  16  10.945   0.900   4.316
  187   HH11  ARG  16          HH11      ARG  16  11.171   0.860   7.799
  188   HH12  ARG  16          HH12      ARG  16  12.494   1.987   7.860
  189   HH21  ARG  16          HH21      ARG  16  12.659   2.380   4.357
  190   HH22  ARG  16          HH22      ARG  16  13.345   2.876   5.879
  Start of MODEL    8
    1    H    ARG   1           HN       ARG   1 -11.753   0.892   2.846
    2    HA   ARG   1           HA       ARG   1 -11.520   2.364   0.356
    3    HB2  ARG   1           HB2      ARG   1  -9.592   2.076   2.674
    4    HB3  ARG   1           HB3      ARG   1  -9.363   3.148   1.299
    5    HG2  ARG   1           HG2      ARG   1 -11.311   4.430   1.930
    6    HG3  ARG   1           HG3      ARG   1 -11.646   3.307   3.251
    7    HD2  ARG   1           HD2      ARG   1  -9.537   3.907   4.311
    8    HD3  ARG   1           HD3      ARG   1  -9.177   5.018   2.988
    9    HE   ARG   1           HE       ARG   1 -11.367   6.131   3.726
   10   HH11  ARG   1          HH11      ARG   1  -9.104   4.560   5.905
   11   HH12  ARG   1          HH12      ARG   1  -9.549   5.554   7.262
   12   HH21  ARG   1          HH21      ARG   1 -11.956   7.404   5.498
   13   HH22  ARG   1          HH22      ARG   1 -11.182   7.165   7.036
   14    H    ARG   2           HN       ARG   2 -11.492   0.636  -1.121
   15    HA   ARG   2           HA       ARG   2  -9.977  -1.683  -0.837
   16    HB2  ARG   2           HB2      ARG   2 -10.344  -1.902  -3.356
   17    HB3  ARG   2           HB3      ARG   2 -11.749  -1.861  -2.309
   18    HG2  ARG   2           HG2      ARG   2 -12.333  -0.511  -4.111
   19    HG3  ARG   2           HG3      ARG   2 -11.865   0.638  -2.861
   20    HD2  ARG   2           HD2      ARG   2  -9.715   0.953  -3.889
   21    HD3  ARG   2           HD3      ARG   2 -10.052  -0.315  -5.069
   22    HE   ARG   2           HE       ARG   2 -11.963   1.839  -5.111
   23   HH11  ARG   2          HH11      ARG   2  -8.891   0.720  -6.324
   24   HH12  ARG   2          HH12      ARG   2  -8.946   1.700  -7.756
   25   HH21  ARG   2          HH21      ARG   2 -12.050   3.143  -7.010
   26   HH22  ARG   2          HH22      ARG   2 -10.709   3.105  -8.117
   27    H    TRP   3           HN       TRP   3  -9.006   1.404  -2.089
   28    HA   TRP   3           HA       TRP   3  -6.707   0.403  -3.456
   29    HB2  TRP   3           HB2      TRP   3  -5.994   2.833  -3.468
   30    HB3  TRP   3           HB3      TRP   3  -7.522   2.465  -4.258
   31    HD1  TRP   3           HD1      TRP   3  -9.786   3.146  -2.828
   32    HE1  TRP   3           HE1      TRP   3 -10.166   5.127  -1.229
   33    HE3  TRP   3           HE3      TRP   3  -4.902   4.285  -1.821
   34    HZ2  TRP   3           HZ2      TRP   3  -8.585   6.936   0.261
   35    HZ3  TRP   3           HZ3      TRP   3  -4.421   6.165  -0.300
   36    HH2  TRP   3           HH2      TRP   3  -6.224   7.462   0.717
   37    H    ARG   4           HN       ARG   4  -7.307   1.456  -0.172
   38    HA   ARG   4           HA       ARG   4  -4.628   1.766   0.634
   39    HB2  ARG   4           HB2      ARG   4  -7.055   0.979   2.246
   40    HB3  ARG   4           HB3      ARG   4  -5.478   1.315   2.950
   41    HG2  ARG   4           HG2      ARG   4  -7.109   3.269   1.333
   42    HG3  ARG   4           HG3      ARG   4  -6.999   3.235   3.093
   43    HD2  ARG   4           HD2      ARG   4  -4.598   3.546   1.300
   44    HD3  ARG   4           HD3      ARG   4  -5.513   4.914   1.918
   45    HE   ARG   4           HE       ARG   4  -4.468   3.029   3.884
   46   HH11  ARG   4          HH11      ARG   4  -4.182   6.095   2.239
   47   HH12  ARG   4          HH12      ARG   4  -3.063   6.767   3.378
   48   HH21  ARG   4          HH21      ARG   4  -2.965   3.906   5.410
   49   HH22  ARG   4          HH22      ARG   4  -2.379   5.529   5.184
   50    H    ARG   5           HN       ARG   5  -6.617  -1.027   0.175
   51    HA   ARG   5           HA       ARG   5  -5.162  -3.034   1.415
   52    HB2  ARG   5           HB2      ARG   5  -7.329  -3.320   0.240
   53    HB3  ARG   5           HB3      ARG   5  -6.504  -3.118  -1.298
   54    HG2  ARG   5           HG2      ARG   5  -5.209  -5.151  -0.859
   55    HG3  ARG   5           HG3      ARG   5  -6.083  -5.363   0.666
   56    HD2  ARG   5           HD2      ARG   5  -8.206  -5.396  -0.630
   57    HD3  ARG   5           HD3      ARG   5  -7.255  -5.342  -2.111
   58    HE   ARG   5           HE       ARG   5  -6.276  -7.517  -0.812
   59   HH11  ARG   5          HH11      ARG   5  -9.454  -6.440  -1.751
   60   HH12  ARG   5          HH12      ARG   5 -10.106  -8.036  -1.938
   61   HH21  ARG   5          HH21      ARG   5  -7.079  -9.636  -1.061
   62   HH22  ARG   5          HH22      ARG   5  -8.726  -9.877  -1.561
   63    H    TRP   6           HN       TRP   6  -4.791  -1.802  -1.910
   64    HA   TRP   6           HA       TRP   6  -2.385  -3.264  -2.388
   65    HB2  TRP   6           HB2      TRP   6  -3.364  -0.851  -3.922
   66    HB3  TRP   6           HB3      TRP   6  -2.296  -2.128  -4.495
   67    HD1  TRP   6           HD1      TRP   6  -3.772  -4.721  -4.016
   68    HE1  TRP   6           HE1      TRP   6  -6.069  -5.232  -5.033
   69    HE3  TRP   6           HE3      TRP   6  -5.293   0.050  -4.946
   70    HZ2  TRP   6           HZ2      TRP   6  -8.254  -3.788  -6.119
   71    HZ3  TRP   6           HZ3      TRP   6  -7.495   0.406  -5.985
   72    HH2  TRP   6           HH2      TRP   6  -8.943  -1.471  -6.557
   73    H    TRP   7           HN       TRP   7  -3.176  -0.049  -1.276
   74    HA   TRP   7           HA       TRP   7  -0.802   1.304  -1.338
   75    HB2  TRP   7           HB2      TRP   7  -2.947   2.138  -0.415
   76    HB3  TRP   7           HB3      TRP   7  -2.698   1.150   1.014
   77    HD1  TRP   7           HD1      TRP   7  -0.732   1.948   2.720
   78    HE1  TRP   7           HE1      TRP   7   0.238   4.301   3.147
   79    HE3  TRP   7           HE3      TRP   7  -2.336   4.258  -1.532
   80    HZ2  TRP   7           HZ2      TRP   7   0.304   6.797   1.850
   81    HZ3  TRP   7           HZ3      TRP   7  -1.779   6.639  -1.873
   82    HH2  TRP   7           HH2      TRP   7  -0.486   7.878  -0.216
   83    H    ARG   8           HN       ARG   8  -1.740  -1.264   0.923
   84    HA   ARG   8           HA       ARG   8   0.503  -1.108   2.626
   85    HB2  ARG   8           HB2      ARG   8  -1.091  -3.591   1.966
   86    HB3  ARG   8           HB3      ARG   8  -0.138  -3.306   3.411
   87    HG2  ARG   8           HG2      ARG   8  -1.690  -1.609   4.150
   88    HG3  ARG   8           HG3      ARG   8  -2.606  -1.759   2.647
   89    HD2  ARG   8           HD2      ARG   8  -2.937  -4.196   3.251
   90    HD3  ARG   8           HD3      ARG   8  -2.301  -3.795   4.846
   91    HE   ARG   8           HE       ARG   8  -4.242  -2.030   4.719
   92   HH11  ARG   8          HH11      ARG   8  -4.250  -5.380   3.707
   93   HH12  ARG   8          HH12      ARG   8  -5.970  -5.575   3.892
   94   HH21  ARG   8          HH21      ARG   8  -6.498  -2.274   4.988
   95   HH22  ARG   8          HH22      ARG   8  -7.256  -3.797   4.608
   96    H    ARG   9           HN       ARG   9  -0.080  -2.754  -0.397
   97    HA   ARG   9           HA       ARG   9   2.263  -4.373  -0.410
   98    HB2  ARG   9           HB2      ARG   9   0.198  -4.745  -1.795
   99    HB3  ARG   9           HB3      ARG   9   0.656  -3.350  -2.762
  100    HG2  ARG   9           HG2      ARG   9   2.757  -4.513  -3.355
  101    HG3  ARG   9           HG3      ARG   9   2.157  -5.943  -2.501
  102    HD2  ARG   9           HD2      ARG   9   0.091  -5.733  -3.989
  103    HD3  ARG   9           HD3      ARG   9   1.049  -4.619  -4.959
  104    HE   ARG   9           HE       ARG   9   2.448  -7.062  -4.542
  105   HH11  ARG   9          HH11      ARG   9  -0.066  -5.543  -6.450
  106   HH12  ARG   9          HH12      ARG   9  -0.033  -6.754  -7.701
  107   HH21  ARG   9          HH21      ARG   9   2.528  -8.647  -6.212
  108   HH22  ARG   9          HH22      ARG   9   1.459  -8.494  -7.578
  109    H    TRP  10           HN       TRP  10   1.378  -1.303  -1.946
  110    HA   TRP  10           HA       TRP  10   3.809  -0.633  -3.111
  111    HB2  TRP  10           HB2      TRP  10   2.121   0.800  -3.740
  112    HB3  TRP  10           HB3      TRP  10   1.434   0.869  -2.119
  113    HD1  TRP  10           HD1      TRP  10   2.034   2.922  -0.679
  114    HE1  TRP  10           HE1      TRP  10   3.549   4.980  -0.990
  115    HE3  TRP  10           HE3      TRP  10   4.492   1.476  -4.913
  116    HZ2  TRP  10           HZ2      TRP  10   5.536   5.859  -2.785
  117    HZ3  TRP  10           HZ3      TRP  10   6.182   2.984  -5.872
  118    HH2  TRP  10           HH2      TRP  10   6.691   5.135  -4.829
  119    H    TRP  11           HN       TRP  11   2.627   0.010   0.153
  120    HA   TRP  11           HA       TRP  11   4.752   1.533   1.115
  121    HB2  TRP  11           HB2      TRP  11   2.371   0.636   2.109
  122    HB3  TRP  11           HB3      TRP  11   3.513  -0.323   3.044
  123    HD1  TRP  11           HD1      TRP  11   1.825   2.930   3.067
  124    HE1  TRP  11           HE1      TRP  11   2.900   4.515   4.796
  125    HE3  TRP  11           HE3      TRP  11   6.118   0.322   3.971
  126    HZ2  TRP  11           HZ2      TRP  11   5.269   4.625   6.341
  127    HZ3  TRP  11           HZ3      TRP  11   7.740   1.222   5.594
  128    HH2  TRP  11           HH2      TRP  11   7.322   3.335   6.753
  129    H    ARG  12           HN       ARG  12   4.229  -1.974   1.448
  130    HA   ARG  12           HA       ARG  12   6.623  -2.402   2.887
  131    HB2  ARG  12           HB2      ARG  12   6.223  -4.794   2.530
  132    HB3  ARG  12           HB3      ARG  12   4.775  -3.958   3.071
  133    HG2  ARG  12           HG2      ARG  12   3.890  -3.971   0.814
  134    HG3  ARG  12           HG3      ARG  12   5.370  -4.734   0.221
  135    HD2  ARG  12           HD2      ARG  12   3.528  -6.350   0.547
  136    HD3  ARG  12           HD3      ARG  12   4.938  -6.704   1.546
  137    HE   ARG  12           HE       ARG  12   3.040  -5.106   2.939
  138   HH11  ARG  12          HH11      ARG  12   3.715  -8.373   1.903
  139   HH12  ARG  12          HH12      ARG  12   2.848  -9.113   3.220
  140   HH21  ARG  12          HH21      ARG  12   1.894  -6.056   4.668
  141   HH22  ARG  12          HH22      ARG  12   1.805  -7.784   4.805
  142    H    ARG  13           HN       ARG  13   5.889  -2.477  -0.553
  143    HA   ARG  13           HA       ARG  13   8.359  -3.719  -1.289
  144    HB2  ARG  13           HB2      ARG  13   6.260  -2.234  -2.843
  145    HB3  ARG  13           HB3      ARG  13   7.752  -2.774  -3.598
  146    HG2  ARG  13           HG2      ARG  13   5.668  -4.518  -2.295
  147    HG3  ARG  13           HG3      ARG  13   5.991  -4.363  -4.021
  148    HD2  ARG  13           HD2      ARG  13   7.766  -5.560  -1.907
  149    HD3  ARG  13           HD3      ARG  13   7.024  -6.374  -3.282
  150    HE   ARG  13           HE       ARG  13   8.529  -4.779  -4.645
  151   HH11  ARG  13          HH11      ARG  13   9.349  -6.230  -1.557
  152   HH12  ARG  13          HH12      ARG  13  11.065  -6.125  -1.817
  153   HH21  ARG  13          HH21      ARG  13  10.795  -4.691  -5.005
  154   HH22  ARG  13          HH22      ARG  13  11.876  -5.284  -3.784
  155    H    TRP  14           HN       TRP  14   7.207  -0.375  -1.761
  156    HA   TRP  14           HA       TRP  14   9.759   0.400  -2.781
  157    HB2  TRP  14           HB2      TRP  14   7.506   1.324  -3.476
  158    HB3  TRP  14           HB3      TRP  14   7.526   2.250  -1.980
  159    HD1  TRP  14           HD1      TRP  14   9.302   1.988  -5.356
  160    HE1  TRP  14           HE1      TRP  14  10.556   4.183  -5.820
  161    HE3  TRP  14           HE3      TRP  14   8.581   4.297  -0.852
  162    HZ2  TRP  14           HZ2      TRP  14  11.159   6.578  -4.454
  163    HZ3  TRP  14           HZ3      TRP  14   9.523   6.543  -0.516
  164    HH2  TRP  14           HH2      TRP  14  10.787   7.662  -2.282
  165    H    ARG  15           HN       ARG  15   8.005   1.149   0.216
  166    HA   ARG  15           HA       ARG  15   9.902   3.129   0.988
  167    HB2  ARG  15           HB2      ARG  15   7.480   1.936   2.248
  168    HB3  ARG  15           HB3      ARG  15   8.593   2.853   3.254
  169    HG2  ARG  15           HG2      ARG  15   7.005   4.412   2.581
  170    HG3  ARG  15           HG3      ARG  15   8.375   4.699   1.513
  171    HD2  ARG  15           HD2      ARG  15   7.257   3.318  -0.218
  172    HD3  ARG  15           HD3      ARG  15   5.857   3.177   0.845
  173    HE   ARG  15           HE       ARG  15   6.550   5.402  -0.802
  174   HH11  ARG  15          HH11      ARG  15   4.987   4.523   2.203
  175   HH12  ARG  15          HH12      ARG  15   4.088   6.003   2.320
  176   HH21  ARG  15          HH21      ARG  15   5.366   7.330  -0.679
  177   HH22  ARG  15          HH22      ARG  15   4.276   7.591   0.654
  178    H    ARG  16           HN       ARG  16   9.634  -0.285   1.678
  179    HA   ARG  16           HA       ARG  16  11.262  -0.056   4.061
  180    HB2  ARG  16           HB2      ARG  16  10.241  -2.532   2.670
  181    HB3  ARG  16           HB3      ARG  16  10.984  -2.472   4.261
  182    HG2  ARG  16           HG2      ARG  16   9.091  -0.926   4.937
  183    HG3  ARG  16           HG3      ARG  16   8.315  -1.381   3.419
  184    HD2  ARG  16           HD2      ARG  16   7.455  -2.794   5.149
  185    HD3  ARG  16           HD3      ARG  16   8.505  -3.765   4.116
  186    HE   ARG  16           HE       ARG  16   9.818  -2.635   6.426
  187   HH11  ARG  16          HH11      ARG  16   8.005  -5.358   5.180
  188   HH12  ARG  16          HH12      ARG  16   8.597  -6.466   6.378
  189   HH21  ARG  16          HH21      ARG  16  10.598  -4.094   7.996
  190   HH22  ARG  16          HH22      ARG  16  10.040  -5.738   7.993
  Start of MODEL    9
    1    H    ARG   1           HN       ARG   1 -13.158   0.230   2.107
    2    HA   ARG   1           HA       ARG   1 -11.154   2.130   1.264
    3    HB2  ARG   1           HB2      ARG   1  -9.841   1.151   3.117
    4    HB3  ARG   1           HB3      ARG   1 -11.448   1.667   3.624
    5    HG2  ARG   1           HG2      ARG   1 -12.228  -0.656   3.458
    6    HG3  ARG   1           HG3      ARG   1 -10.594  -1.158   3.013
    7    HD2  ARG   1           HD2      ARG   1  -9.766  -0.338   5.173
    8    HD3  ARG   1           HD3      ARG   1 -11.407   0.148   5.608
    9    HE   ARG   1           HE       ARG   1 -11.516  -2.534   4.908
   10   HH11  ARG   1          HH11      ARG   1 -10.076  -0.550   7.416
   11   HH12  ARG   1          HH12      ARG   1 -10.033  -1.845   8.581
   12   HH21  ARG   1          HH21      ARG   1 -11.455  -4.217   6.411
   13   HH22  ARG   1          HH22      ARG   1 -10.830  -3.943   8.005
   14    H    ARG   2           HN       ARG   2 -11.794   0.333  -0.782
   15    HA   ARG   2           HA       ARG   2 -10.241  -1.945  -1.040
   16    HB2  ARG   2           HB2      ARG   2 -10.383  -1.336  -3.585
   17    HB3  ARG   2           HB3      ARG   2 -11.823  -1.794  -2.696
   18    HG2  ARG   2           HG2      ARG   2 -12.458   0.051  -3.999
   19    HG3  ARG   2           HG3      ARG   2 -12.241   0.696  -2.377
   20    HD2  ARG   2           HD2      ARG   2  -9.951   1.431  -3.054
   21    HD3  ARG   2           HD3      ARG   2 -10.337   0.933  -4.701
   22    HE   ARG   2           HE       ARG   2 -12.381   2.620  -3.921
   23   HH11  ARG   2          HH11      ARG   2  -8.910   2.877  -4.365
   24   HH12  ARG   2          HH12      ARG   2  -8.955   4.574  -4.708
   25   HH21  ARG   2          HH21      ARG   2 -12.440   4.833  -4.371
   26   HH22  ARG   2          HH22      ARG   2 -10.972   5.693  -4.726
   27    H    TRP   3           HN       TRP   3  -9.281   1.354  -1.333
   28    HA   TRP   3           HA       TRP   3  -6.980   0.960  -2.933
   29    HB2  TRP   3           HB2      TRP   3  -6.346   3.257  -2.124
   30    HB3  TRP   3           HB3      TRP   3  -7.927   3.142  -2.885
   31    HD1  TRP   3           HD1      TRP   3 -10.079   3.140  -1.114
   32    HE1  TRP   3           HE1      TRP   3 -10.343   4.402   1.119
   33    HE3  TRP   3           HE3      TRP   3  -5.157   4.128  -0.164
   34    HZ2  TRP   3           HZ2      TRP   3  -8.678   5.663   3.013
   35    HZ3  TRP   3           HZ3      TRP   3  -4.580   5.371   1.877
   36    HH2  TRP   3           HH2      TRP   3  -6.302   6.123   3.429
   37    H    ARG   4           HN       ARG   4  -7.541   0.685   0.492
   38    HA   ARG   4           HA       ARG   4  -4.948   1.075   1.456
   39    HB2  ARG   4           HB2      ARG   4  -7.235  -0.562   2.510
   40    HB3  ARG   4           HB3      ARG   4  -5.708  -0.431   3.362
   41    HG2  ARG   4           HG2      ARG   4  -7.401   1.917   2.584
   42    HG3  ARG   4           HG3      ARG   4  -7.519   1.089   4.137
   43    HD2  ARG   4           HD2      ARG   4  -5.005   1.544   4.355
   44    HD3  ARG   4           HD3      ARG   4  -5.221   2.682   3.023
   45    HE   ARG   4           HE       ARG   4  -7.185   3.214   4.923
   46   HH11  ARG   4          HH11      ARG   4  -3.711   3.407   4.604
   47   HH12  ARG   4          HH12      ARG   4  -3.529   4.682   5.770
   48   HH21  ARG   4          HH21      ARG   4  -6.965   4.900   6.455
   49   HH22  ARG   4          HH22      ARG   4  -5.387   5.519   6.849
   50    H    ARG   5           HN       ARG   5  -6.381  -1.693  -0.083
   51    HA   ARG   5           HA       ARG   5  -4.563  -3.683   0.647
   52    HB2  ARG   5           HB2      ARG   5  -6.156  -3.275  -1.877
   53    HB3  ARG   5           HB3      ARG   5  -5.155  -4.696  -1.614
   54    HG2  ARG   5           HG2      ARG   5  -6.461  -5.194   0.421
   55    HG3  ARG   5           HG3      ARG   5  -7.510  -3.825   0.048
   56    HD2  ARG   5           HD2      ARG   5  -8.220  -4.853  -2.005
   57    HD3  ARG   5           HD3      ARG   5  -7.037  -6.148  -1.812
   58    HE   ARG   5           HE       ARG   5  -8.583  -6.294   0.438
   59   HH11  ARG   5          HH11      ARG   5  -9.221  -6.377  -3.004
   60   HH12  ARG   5          HH12      ARG   5 -10.604  -7.415  -2.853
   61   HH21  ARG   5          HH21      ARG   5 -10.393  -7.654   0.646
   62   HH22  ARG   5          HH22      ARG   5 -11.271  -8.155  -0.766
   63    H    TRP   6           HN       TRP   6  -4.521  -1.672  -2.280
   64    HA   TRP   6           HA       TRP   6  -1.944  -2.594  -3.093
   65    HB2  TRP   6           HB2      TRP   6  -3.204  -0.035  -4.063
   66    HB3  TRP   6           HB3      TRP   6  -2.220  -1.194  -4.957
   67    HD1  TRP   6           HD1      TRP   6  -3.663  -3.839  -4.774
   68    HE1  TRP   6           HE1      TRP   6  -6.062  -4.192  -5.606
   69    HE3  TRP   6           HE3      TRP   6  -5.264   1.021  -4.733
   70    HZ2  TRP   6           HZ2      TRP   6  -8.336  -2.625  -6.195
   71    HZ3  TRP   6           HZ3      TRP   6  -7.565   1.504  -5.453
   72    HH2  TRP   6           HH2      TRP   6  -9.067  -0.280  -6.170
   73    H    TRP   7           HN       TRP   7  -3.229   0.094  -1.331
   74    HA   TRP   7           HA       TRP   7  -1.149   1.843  -1.052
   75    HB2  TRP   7           HB2      TRP   7  -3.304   2.288  -0.118
   76    HB3  TRP   7           HB3      TRP   7  -3.222   0.875   0.921
   77    HD1  TRP   7           HD1      TRP   7  -1.729   1.086   3.145
   78    HE1  TRP   7           HE1      TRP   7  -1.039   3.151   4.513
   79    HE3  TRP   7           HE3      TRP   7  -2.609   4.696  -0.351
   80    HZ2  TRP   7           HZ2      TRP   7  -0.901   5.942   4.153
   81    HZ3  TRP   7           HZ3      TRP   7  -2.175   7.039   0.241
   82    HH2  TRP   7           HH2      TRP   7  -1.338   7.648   2.446
   83    H    ARG   8           HN       ARG   8  -1.737  -1.013   1.050
   84    HA   ARG   8           HA       ARG   8   0.694  -0.571   2.467
   85    HB2  ARG   8           HB2      ARG   8   0.245  -2.644   3.627
   86    HB3  ARG   8           HB3      ARG   8  -1.227  -1.696   3.513
   87    HG2  ARG   8           HG2      ARG   8  -2.102  -3.116   1.810
   88    HG3  ARG   8           HG3      ARG   8  -0.559  -3.965   1.655
   89    HD2  ARG   8           HD2      ARG   8  -2.121  -5.305   2.948
   90    HD3  ARG   8           HD3      ARG   8  -0.789  -4.772   3.970
   91    HE   ARG   8           HE       ARG   8  -3.165  -3.110   4.044
   92   HH11  ARG   8          HH11      ARG   8  -1.385  -5.749   5.521
   93   HH12  ARG   8          HH12      ARG   8  -2.208  -5.621   7.038
   94   HH21  ARG   8          HH21      ARG   8  -4.247  -2.951   6.057
   95   HH22  ARG   8          HH22      ARG   8  -3.836  -4.048   7.347
   96    H    ARG   9           HN       ARG   9  -0.206  -2.527  -0.298
   97    HA   ARG   9           HA       ARG   9   2.060  -4.186  -0.373
   98    HB2  ARG   9           HB2      ARG   9   0.219  -3.216  -2.530
   99    HB3  ARG   9           HB3      ARG   9   1.559  -4.296  -2.868
  100    HG2  ARG   9           HG2      ARG   9   0.622  -5.952  -1.346
  101    HG3  ARG   9           HG3      ARG   9  -0.717  -4.860  -0.982
  102    HD2  ARG   9           HD2      ARG   9  -1.331  -6.576  -2.638
  103    HD3  ARG   9           HD3      ARG   9  -1.453  -4.939  -3.285
  104    HE   ARG   9           HE       ARG   9   0.832  -5.432  -4.288
  105   HH11  ARG   9          HH11      ARG   9  -1.497  -7.961  -3.642
  106   HH12  ARG   9          HH12      ARG   9  -0.986  -8.954  -4.972
  107   HH21  ARG   9          HH21      ARG   9   1.574  -6.762  -5.993
  108   HH22  ARG   9          HH22      ARG   9   0.796  -8.298  -6.290
  109    H    TRP  10           HN       TRP  10   1.410  -1.152  -2.097
  110    HA   TRP  10           HA       TRP  10   3.956  -0.860  -3.236
  111    HB2  TRP  10           HB2      TRP  10   2.438   0.557  -4.211
  112    HB3  TRP  10           HB3      TRP  10   1.626   0.905  -2.690
  113    HD1  TRP  10           HD1      TRP  10   2.236   3.104  -1.502
  114    HE1  TRP  10           HE1      TRP  10   3.894   5.013  -1.941
  115    HE3  TRP  10           HE3      TRP  10   4.919   0.963  -5.287
  116    HZ2  TRP  10           HZ2      TRP  10   6.083   5.531  -3.651
  117    HZ3  TRP  10           HZ3      TRP  10   6.782   2.231  -6.273
  118    HH2  TRP  10           HH2      TRP  10   7.350   4.474  -5.475
  119    H    TRP  11           HN       TRP  11   2.635   0.202  -0.152
  120    HA   TRP  11           HA       TRP  11   4.759   1.834   0.666
  121    HB2  TRP  11           HB2      TRP  11   2.308   1.184   1.672
  122    HB3  TRP  11           HB3      TRP  11   3.376   0.354   2.797
  123    HD1  TRP  11           HD1      TRP  11   1.833   3.632   2.217
  124    HE1  TRP  11           HE1      TRP  11   2.924   5.441   3.694
  125    HE3  TRP  11           HE3      TRP  11   5.975   1.061   3.729
  126    HZ2  TRP  11           HZ2      TRP  11   5.231   5.733   5.296
  127    HZ3  TRP  11           HZ3      TRP  11   7.580   2.173   5.236
  128    HH2  TRP  11           HH2      TRP  11   7.216   4.462   5.998
  129    H    ARG  12           HN       ARG  12   4.092  -1.562   1.497
  130    HA   ARG  12           HA       ARG  12   6.430  -1.762   3.116
  131    HB2  ARG  12           HB2      ARG  12   4.597  -3.917   2.062
  132    HB3  ARG  12           HB3      ARG  12   5.855  -4.164   3.269
  133    HG2  ARG  12           HG2      ARG  12   3.508  -2.303   3.584
  134    HG3  ARG  12           HG3      ARG  12   3.614  -3.935   4.252
  135    HD2  ARG  12           HD2      ARG  12   5.352  -3.338   5.719
  136    HD3  ARG  12           HD3      ARG  12   5.681  -1.839   4.852
  137    HE   ARG  12           HE       ARG  12   3.463  -1.069   5.695
  138   HH11  ARG  12          HH11      ARG  12   5.214  -3.586   7.408
  139   HH12  ARG  12          HH12      ARG  12   4.497  -3.197   8.944
  140   HH21  ARG  12          HH21      ARG  12   2.522  -0.569   7.694
  141   HH22  ARG  12          HH22      ARG  12   2.949  -1.480   9.114
  142    H    ARG  13           HN       ARG  13   5.737  -2.543  -0.228
  143    HA   ARG  13           HA       ARG  13   8.100  -4.092  -0.598
  144    HB2  ARG  13           HB2      ARG  13   6.095  -2.879  -2.451
  145    HB3  ARG  13           HB3      ARG  13   7.592  -3.551  -3.082
  146    HG2  ARG  13           HG2      ARG  13   5.611  -5.060  -1.386
  147    HG3  ARG  13           HG3      ARG  13   5.709  -5.146  -3.144
  148    HD2  ARG  13           HD2      ARG  13   7.953  -5.872  -1.253
  149    HD3  ARG  13           HD3      ARG  13   6.860  -7.032  -2.009
  150    HE   ARG  13           HE       ARG  13   7.776  -6.282  -4.169
  151   HH11  ARG  13          HH11      ARG  13   9.649  -5.669  -1.260
  152   HH12  ARG  13          HH12      ARG  13  11.166  -5.587  -2.119
  153   HH21  ARG  13          HH21      ARG  13   9.739  -6.136  -5.275
  154   HH22  ARG  13          HH22      ARG  13  11.208  -5.819  -4.401
  155    H    TRP  14           HN       TRP  14   7.258  -0.801  -1.716
  156    HA   TRP  14           HA       TRP  14   9.920  -0.388  -2.680
  157    HB2  TRP  14           HB2      TRP  14   7.805   0.612  -3.671
  158    HB3  TRP  14           HB3      TRP  14   7.838   1.749  -2.327
  159    HD1  TRP  14           HD1      TRP  14   9.830   0.774  -5.449
  160    HE1  TRP  14           HE1      TRP  14  11.318   2.759  -6.138
  161    HE3  TRP  14           HE3      TRP  14   8.953   3.849  -1.459
  162    HZ2  TRP  14           HZ2      TRP  14  12.022   5.298  -5.111
  163    HZ3  TRP  14           HZ3      TRP  14  10.075   6.039  -1.388
  164    HH2  TRP  14           HH2      TRP  14  11.578   6.745  -3.180
  165    H    ARG  15           HN       ARG  15   8.042   1.101  -0.037
  166    HA   ARG  15           HA       ARG  15  10.136   2.905   0.597
  167    HB2  ARG  15           HB2      ARG  15   7.519   2.238   1.848
  168    HB3  ARG  15           HB3      ARG  15   8.694   3.152   2.778
  169    HG2  ARG  15           HG2      ARG  15   7.409   4.808   1.805
  170    HG3  ARG  15           HG3      ARG  15   8.794   4.700   0.720
  171    HD2  ARG  15           HD2      ARG  15   7.476   3.275  -0.791
  172    HD3  ARG  15           HD3      ARG  15   6.089   3.430   0.287
  173    HE   ARG  15           HE       ARG  15   7.078   5.402  -1.584
  174   HH11  ARG  15          HH11      ARG  15   5.115   4.843   1.254
  175   HH12  ARG  15          HH12      ARG  15   4.194   6.292   1.058
  176   HH21  ARG  15          HH21      ARG  15   5.847   7.316  -1.843
  177   HH22  ARG  15          HH22      ARG  15   4.609   7.703  -0.688
  178    H    ARG  16           HN       ARG  16   9.057  -0.099   2.160
  179    HA   ARG  16           HA       ARG  16  11.116   0.231   4.189
  180    HB2  ARG  16           HB2      ARG  16   8.910  -1.790   3.833
  181    HB3  ARG  16           HB3      ARG  16  10.155  -1.957   5.063
  182    HG2  ARG  16           HG2      ARG  16   8.109   0.233   4.810
  183    HG3  ARG  16           HG3      ARG  16   8.244  -0.983   6.084
  184    HD2  ARG  16           HD2      ARG  16  10.182   1.256   5.506
  185    HD3  ARG  16           HD3      ARG  16   9.092   1.133   6.887
  186    HE   ARG  16           HE       ARG  16  10.575  -1.123   7.087
  187   HH11  ARG  16          HH11      ARG  16  11.385   2.273   6.770
  188   HH12  ARG  16          HH12      ARG  16  12.913   2.122   7.580
  189   HH21  ARG  16          HH21      ARG  16  12.599  -1.323   8.151
  190   HH22  ARG  16          HH22      ARG  16  13.584   0.087   8.383
  Start of MODEL   10
    1    H    ARG   1           HN       ARG   1 -13.140  -0.434   0.834
    2    HA   ARG   1           HA       ARG   1 -10.743   1.068   1.673
    3    HB2  ARG   1           HB2      ARG   1 -11.929  -1.410   2.933
    4    HB3  ARG   1           HB3      ARG   1 -10.379  -0.716   3.381
    5    HG2  ARG   1           HG2      ARG   1 -13.036   0.682   3.623
    6    HG3  ARG   1           HG3      ARG   1 -12.182  -0.124   4.941
    7    HD2  ARG   1           HD2      ARG   1 -10.306   1.415   4.671
    8    HD3  ARG   1           HD3      ARG   1 -11.135   2.205   3.332
    9    HE   ARG   1           HE       ARG   1 -12.694   3.111   4.876
   10   HH11  ARG   1          HH11      ARG   1 -10.116   1.307   6.395
   11   HH12  ARG   1          HH12      ARG   1 -10.322   2.066   7.946
   12   HH21  ARG   1          HH21      ARG   1 -12.974   4.131   6.912
   13   HH22  ARG   1          HH22      ARG   1 -11.941   3.683   8.237
   14    H    ARG   2           HN       ARG   2 -11.678  -0.497  -0.800
   15    HA   ARG   2           HA       ARG   2 -10.088  -2.813  -1.060
   16    HB2  ARG   2           HB2      ARG   2 -11.150  -0.956  -3.187
   17    HB3  ARG   2           HB3      ARG   2 -10.484  -2.551  -3.490
   18    HG2  ARG   2           HG2      ARG   2 -12.688  -2.454  -1.543
   19    HG3  ARG   2           HG3      ARG   2 -13.112  -2.035  -3.204
   20    HD2  ARG   2           HD2      ARG   2 -13.453  -4.352  -3.039
   21    HD3  ARG   2           HD3      ARG   2 -11.925  -4.165  -3.889
   22    HE   ARG   2           HE       ARG   2 -12.036  -4.758  -1.002
   23   HH11  ARG   2          HH11      ARG   2 -10.824  -5.402  -4.222
   24   HH12  ARG   2          HH12      ARG   2  -9.844  -6.753  -3.729
   25   HH21  ARG   2          HH21      ARG   2 -10.742  -6.500  -0.336
   26   HH22  ARG   2          HH22      ARG   2  -9.774  -7.363  -1.496
   27    H    TRP   3           HN       TRP   3  -9.466   0.549  -1.652
   28    HA   TRP   3           HA       TRP   3  -7.172   0.221  -3.297
   29    HB2  TRP   3           HB2      TRP   3  -6.895   2.694  -2.912
   30    HB3  TRP   3           HB3      TRP   3  -8.475   2.224  -3.534
   31    HD1  TRP   3           HD1      TRP   3 -10.575   2.528  -1.899
   32    HE1  TRP   3           HE1      TRP   3 -10.894   3.846   0.292
   33    HE3  TRP   3           HE3      TRP   3  -5.676   3.484  -0.817
   34    HZ2  TRP   3           HZ2      TRP   3  -9.272   5.130   2.214
   35    HZ3  TRP   3           HZ3      TRP   3  -5.144   4.760   1.214
   36    HH2  TRP   3           HH2      TRP   3  -6.903   5.555   2.705
   37    H    ARG   4           HN       ARG   4  -7.642   0.499   0.155
   38    HA   ARG   4           HA       ARG   4  -5.087   1.402   0.856
   39    HB2  ARG   4           HB2      ARG   4  -7.101   1.471   2.324
   40    HB3  ARG   4           HB3      ARG   4  -6.981  -0.273   2.506
   41    HG2  ARG   4           HG2      ARG   4  -6.050   0.783   4.428
   42    HG3  ARG   4           HG3      ARG   4  -4.755   0.019   3.514
   43    HD2  ARG   4           HD2      ARG   4  -3.841   2.086   4.086
   44    HD3  ARG   4           HD3      ARG   4  -4.443   2.356   2.452
   45    HE   ARG   4           HE       ARG   4  -6.525   3.152   3.931
   46   HH11  ARG   4          HH11      ARG   4  -3.118   3.870   4.165
   47   HH12  ARG   4          HH12      ARG   4  -3.358   5.446   4.856
   48   HH21  ARG   4          HH21      ARG   4  -6.861   5.238   4.832
   49   HH22  ARG   4          HH22      ARG   4  -5.484   6.229   5.206
   50    H    ARG   5           HN       ARG   5  -6.354  -1.730   0.099
   51    HA   ARG   5           HA       ARG   5  -4.308  -3.380   1.027
   52    HB2  ARG   5           HB2      ARG   5  -6.310  -4.365   0.203
   53    HB3  ARG   5           HB3      ARG   5  -6.130  -3.593  -1.364
   54    HG2  ARG   5           HG2      ARG   5  -4.129  -4.967  -1.779
   55    HG3  ARG   5           HG3      ARG   5  -4.403  -5.783  -0.239
   56    HD2  ARG   5           HD2      ARG   5  -5.262  -7.020  -2.229
   57    HD3  ARG   5           HD3      ARG   5  -6.481  -6.680  -1.001
   58    HE   ARG   5           HE       ARG   5  -7.031  -4.697  -2.514
   59   HH11  ARG   5          HH11      ARG   5  -5.758  -7.720  -3.702
   60   HH12  ARG   5          HH12      ARG   5  -6.621  -7.640  -5.203
   61   HH21  ARG   5          HH21      ARG   5  -8.161  -4.571  -4.496
   62   HH22  ARG   5          HH22      ARG   5  -8.003  -5.863  -5.652
   63    H    TRP   6           HN       TRP   6  -4.542  -1.541  -2.010
   64    HA   TRP   6           HA       TRP   6  -2.052  -2.527  -3.046
   65    HB2  TRP   6           HB2      TRP   6  -3.564  -0.014  -3.805
   66    HB3  TRP   6           HB3      TRP   6  -2.283  -0.778  -4.738
   67    HD1  TRP   6           HD1      TRP   6  -3.227  -3.759  -4.805
   68    HE1  TRP   6           HE1      TRP   6  -5.363  -4.428  -6.058
   69    HE3  TRP   6           HE3      TRP   6  -5.571   0.786  -4.914
   70    HZ2  TRP   6           HZ2      TRP   6  -7.737  -3.196  -6.985
   71    HZ3  TRP   6           HZ3      TRP   6  -7.769   0.956  -6.004
   72    HH2  TRP   6           HH2      TRP   6  -8.828  -0.997  -7.020
   73    H    TRP   7           HN       TRP   7  -3.138   0.235  -1.241
   74    HA   TRP   7           HA       TRP   7  -0.910   1.847  -1.134
   75    HB2  TRP   7           HB2      TRP   7  -2.990   2.544  -0.199
   76    HB3  TRP   7           HB3      TRP   7  -3.012   1.198   0.930
   77    HD1  TRP   7           HD1      TRP   7  -1.383   1.387   3.091
   78    HE1  TRP   7           HE1      TRP   7  -0.448   3.455   4.299
   79    HE3  TRP   7           HE3      TRP   7  -2.112   4.873  -0.577
   80    HZ2  TRP   7           HZ2      TRP   7  -0.080   6.189   3.771
   81    HZ3  TRP   7           HZ3      TRP   7  -1.441   7.192  -0.145
   82    HH2  TRP   7           HH2      TRP   7  -0.439   7.840   1.996
   83    H    ARG   8           HN       ARG   8  -1.697  -0.826   1.112
   84    HA   ARG   8           HA       ARG   8   0.697  -0.553   2.595
   85    HB2  ARG   8           HB2      ARG   8   0.131  -2.761   3.562
   86    HB3  ARG   8           HB3      ARG   8  -1.197  -1.614   3.626
   87    HG2  ARG   8           HG2      ARG   8  -2.261  -2.692   1.743
   88    HG3  ARG   8           HG3      ARG   8  -0.904  -3.806   1.586
   89    HD2  ARG   8           HD2      ARG   8  -2.803  -4.841   2.737
   90    HD3  ARG   8           HD3      ARG   8  -1.386  -4.735   3.781
   91    HE   ARG   8           HE       ARG   8  -3.222  -2.529   4.060
   92   HH11  ARG   8          HH11      ARG   8  -2.464  -5.771   5.116
   93   HH12  ARG   8          HH12      ARG   8  -3.245  -5.602   6.654
   94   HH21  ARG   8          HH21      ARG   8  -4.275  -2.299   6.102
   95   HH22  ARG   8          HH22      ARG   8  -4.296  -3.645   7.203
   96    H    ARG   9           HN       ARG   9  -0.102  -2.379  -0.281
   97    HA   ARG   9           HA       ARG   9   2.191  -4.056  -0.255
   98    HB2  ARG   9           HB2      ARG   9   0.085  -4.375  -1.652
   99    HB3  ARG   9           HB3      ARG   9   0.704  -3.120  -2.716
  100    HG2  ARG   9           HG2      ARG   9   2.675  -4.468  -3.186
  101    HG3  ARG   9           HG3      ARG   9   2.088  -5.721  -2.090
  102    HD2  ARG   9           HD2      ARG   9   0.017  -5.831  -3.552
  103    HD3  ARG   9           HD3      ARG   9   0.902  -4.838  -4.712
  104    HE   ARG   9           HE       ARG   9   2.561  -6.951  -4.118
  105   HH11  ARG   9          HH11      ARG   9  -0.633  -6.564  -5.491
  106   HH12  ARG   9          HH12      ARG   9  -0.557  -8.031  -6.417
  107   HH21  ARG   9          HH21      ARG   9   2.668  -8.889  -5.294
  108   HH22  ARG   9          HH22      ARG   9   1.302  -9.388  -6.257
  109    H    TRP  10           HN       TRP  10   1.451  -1.011  -1.925
  110    HA   TRP  10           HA       TRP  10   3.922  -0.495  -3.075
  111    HB2  TRP  10           HB2      TRP  10   2.365   1.018  -3.781
  112    HB3  TRP  10           HB3      TRP  10   1.572   1.081  -2.213
  113    HD1  TRP  10           HD1      TRP  10   2.166   3.040  -0.644
  114    HE1  TRP  10           HE1      TRP  10   3.655   5.119  -0.843
  115    HE3  TRP  10           HE3      TRP  10   4.690   1.830  -4.929
  116    HZ2  TRP  10           HZ2      TRP  10   5.640   6.115  -2.568
  117    HZ3  TRP  10           HZ3      TRP  10   6.363   3.417  -5.792
  118    HH2  TRP  10           HH2      TRP  10   6.826   5.516  -4.636
  119    H    TRP  11           HN       TRP  11   2.754   0.253   0.158
  120    HA   TRP  11           HA       TRP  11   4.967   1.666   1.110
  121    HB2  TRP  11           HB2      TRP  11   2.595   1.201   2.117
  122    HB3  TRP  11           HB3      TRP  11   3.357  -0.213   2.829
  123    HD1  TRP  11           HD1      TRP  11   2.369   3.062   3.792
  124    HE1  TRP  11           HE1      TRP  11   3.739   3.972   5.772
  125    HE3  TRP  11           HE3      TRP  11   6.340  -0.152   3.601
  126    HZ2  TRP  11           HZ2      TRP  11   6.163   3.420   7.071
  127    HZ3  TRP  11           HZ3      TRP  11   8.147   0.109   5.260
  128    HH2  TRP  11           HH2      TRP  11   8.061   1.865   6.956
  129    H    ARG  12           HN       ARG  12   4.172  -1.774   1.665
  130    HA   ARG  12           HA       ARG  12   6.558  -2.282   3.084
  131    HB2  ARG  12           HB2      ARG  12   4.677  -4.227   1.744
  132    HB3  ARG  12           HB3      ARG  12   5.937  -4.668   2.890
  133    HG2  ARG  12           HG2      ARG  12   3.627  -2.828   3.497
  134    HG3  ARG  12           HG3      ARG  12   3.692  -4.542   3.915
  135    HD2  ARG  12           HD2      ARG  12   5.325  -4.218   5.524
  136    HD3  ARG  12           HD3      ARG  12   5.887  -2.715   4.799
  137    HE   ARG  12           HE       ARG  12   3.482  -1.969   5.569
  138   HH11  ARG  12          HH11      ARG  12   5.786  -3.937   7.320
  139   HH12  ARG  12          HH12      ARG  12   5.283  -3.355   8.878
  140   HH21  ARG  12          HH21      ARG  12   2.837  -1.196   7.598
  141   HH22  ARG  12          HH22      ARG  12   3.636  -1.758   9.029
  142    H    ARG  13           HN       ARG  13   5.747  -2.639  -0.321
  143    HA   ARG  13           HA       ARG  13   8.147  -4.072  -0.951
  144    HB2  ARG  13           HB2      ARG  13   6.053  -2.719  -2.622
  145    HB3  ARG  13           HB3      ARG  13   7.519  -3.371  -3.338
  146    HG2  ARG  13           HG2      ARG  13   6.974  -5.580  -2.486
  147    HG3  ARG  13           HG3      ARG  13   5.512  -4.938  -1.736
  148    HD2  ARG  13           HD2      ARG  13   5.168  -6.095  -3.934
  149    HD3  ARG  13           HD3      ARG  13   4.543  -4.450  -3.851
  150    HE   ARG  13           HE       ARG  13   6.264  -3.740  -5.291
  151   HH11  ARG  13          HH11      ARG  13   6.467  -7.178  -4.645
  152   HH12  ARG  13          HH12      ARG  13   7.405  -7.509  -6.074
  153   HH21  ARG  13          HH21      ARG  13   7.531  -4.185  -7.153
  154   HH22  ARG  13          HH22      ARG  13   8.004  -5.821  -7.480
  155    H    TRP  14           HN       TRP  14   7.078  -0.778  -1.788
  156    HA   TRP  14           HA       TRP  14   9.657  -0.160  -2.839
  157    HB2  TRP  14           HB2      TRP  14   7.346   0.715  -3.588
  158    HB3  TRP  14           HB3      TRP  14   7.554   1.889  -2.292
  159    HD1  TRP  14           HD1      TRP  14   9.086   0.848  -5.645
  160    HE1  TRP  14           HE1      TRP  14  10.515   2.792  -6.541
  161    HE3  TRP  14           HE3      TRP  14   8.814   3.952  -1.600
  162    HZ2  TRP  14           HZ2      TRP  14  11.405   5.317  -5.646
  163    HZ3  TRP  14           HZ3      TRP  14   9.987   6.123  -1.705
  164    HH2  TRP  14           HH2      TRP  14  11.250   6.783  -3.685
  165    H    ARG  15           HN       ARG  15   7.813   1.110  -0.073
  166    HA   ARG  15           HA       ARG  15   9.814   2.914   0.774
  167    HB2  ARG  15           HB2      ARG  15   7.333   1.786   1.988
  168    HB3  ARG  15           HB3      ARG  15   8.495   2.544   3.063
  169    HG2  ARG  15           HG2      ARG  15   6.702   4.059   2.320
  170    HG3  ARG  15           HG3      ARG  15   8.312   4.627   1.881
  171    HD2  ARG  15           HD2      ARG  15   7.965   3.680  -0.381
  172    HD3  ARG  15           HD3      ARG  15   6.319   3.255   0.085
  173    HE   ARG  15           HE       ARG  15   5.733   5.397  -0.389
  174   HH11  ARG  15          HH11      ARG  15   9.147   5.434   0.437
  175   HH12  ARG  15          HH12      ARG  15   9.340   7.126   0.087
  176   HH21  ARG  15          HH21      ARG  15   5.988   7.625  -0.816
  177   HH22  ARG  15          HH22      ARG  15   7.553   8.360  -0.607
  178    H    ARG  16           HN       ARG  16   8.854  -0.249   2.078
  179    HA   ARG  16           HA       ARG  16  10.015  -1.906   3.106
  180    HB2  ARG  16           HB2      ARG  16  11.649  -1.193   1.133
  181    HB3  ARG  16           HB3      ARG  16  12.649  -0.650   2.468
  182    HG2  ARG  16           HG2      ARG  16  11.561  -3.431   2.417
  183    HG3  ARG  16           HG3      ARG  16  12.998  -3.006   1.494
  184    HD2  ARG  16           HD2      ARG  16  13.802  -3.849   3.536
  185    HD3  ARG  16           HD3      ARG  16  13.945  -2.099   3.676
  186    HE   ARG  16           HE       ARG  16  11.476  -3.082   4.723
  187   HH11  ARG  16          HH11      ARG  16  14.880  -2.705   5.452
  188   HH12  ARG  16          HH12      ARG  16  14.615  -2.547   7.159
  189   HH21  ARG  16          HH21      ARG  16  11.139  -2.849   6.965
  190   HH22  ARG  16          HH22      ARG  16  12.499  -2.641   8.019