*HEADER    DNA BINDING PROTEIN/DNA                 02-APR-14   2MNA              
*TITLE     THE STRUCTURAL BASIS OF DNA-BINDING BY THE OB DOMAIN OF THE SINGLE    
*TITLE    2 STRANDED DNA BINDING PROTEIN FROM SULFOLOBUS SOLFATARICUS            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SSDNA;                                                     
*COMPND   3 CHAIN: B;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: SINGLE-STRANDED DNA BINDING PROTEIN (SSB);                 
*COMPND   7 CHAIN: A;                                                            
*COMPND   8 FRAGMENT: UNP RESIDUES 1-114;                                        
*COMPND   9 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 MOL_ID: 2;                                                           
*SOURCE   4 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS;                        
*SOURCE   5 ORGANISM_TAXID: 273057;                                              
*SOURCE   6 STRAIN: ATCC 35092 / DSM 1617 / JCM 11322 / P2;                      
*SOURCE   7 GENE: SSB, SSO2364                                                   
*KEYWDS    DNA REPAIR, SSB, SULFOLOBUS SOLFATARICUS, DNA BINDING PROTEIN-DNA     
*KEYWDS   2 COMPLEX                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    R.GAMSJAEGER, R.KARIAWASAM, A.X.GIMENEZ, C.F.TOUMA, E.MCILWAIN,       
*AUTHOR   2 N.E.SHEPHERD, M.F.WHITE, L.CUBEDDU                                   
*REVDAT   1   17-DEC-14 2MNA    0                                                


! unambig.tbl
 
ASSI {    1}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 26   and name HA  ))
      2.400     0.700     0.700 {peak     1 spectrum    1 weight  0.10000E+01 volume  0.45503E-02 ppm1      8.590 ppm2      4.317 CV     1}
 ASSI {    2}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 61   and name HA1 ))
      3.000     3.000     3.000 {peak     2 spectrum    1 weight  0.10000E+01 volume  0.11910E-02 ppm1      8.590 ppm2      4.011 CV     1}
 ASSI {    5}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 3    and name HA  ))
      2.300     0.700     0.700 {peak     5 spectrum    1 weight  0.10000E+01 volume  0.62163E-02 ppm1      8.515 ppm2      4.784 CV     1}
 ASSI {    6}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 5    and name HB  ))
      2.500     0.800     0.800 {peak     6 spectrum    1 weight  0.10000E+01 volume  0.40281E-02 ppm1      9.799 ppm2      1.861 CV     1}
 ASSI {    7}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 4    and name HB1 ))
      3.400     1.400     1.400 {peak     7 spectrum    1 weight  0.10000E+01 volume  0.59179E-03 ppm1      9.799 ppm2      2.356 CV     1}
 ASSI {    8}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 4    and name HA  ))
      2.300     0.700     0.700 {peak     8 spectrum    1 weight  0.10000E+01 volume  0.56941E-02 ppm1      9.799 ppm2      4.688 CV     1}
 ASSI {    9}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 36   and name HB  ))
      2.300     2.300     3.700 {peak     9 spectrum    1 weight  0.10000E+01 volume  0.56692E-02 ppm1      8.420 ppm2      1.928 CV     1}
 ASSI {   10}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 35   and name HA2 ))
      3.200     1.300     1.300 {peak    10 spectrum    1 weight  0.10000E+01 volume  0.84292E-03 ppm1      8.425 ppm2      3.952 CV     1}
 ASSI {   11}
   (( segid "A   " and resid 75   and name HE1 ))
   (  segid "A   " and resid 77   and name HG2%)
      2.600     0.800     0.800 {peak    11 spectrum    1 weight  0.10000E+01 volume  0.29092E-02 ppm1      9.706 ppm2      1.464 CV     1}
 ASSI {   12}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 44   and name HA  ))
      2.800     1.000     1.000 {peak    12 spectrum    1 weight  0.10000E+01 volume  0.18275E-02 ppm1      8.961 ppm2      5.622 CV     1}
 ASSI {   13}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 43   and name HA  ))
      2.100     0.500     0.500 {peak    13 spectrum    1 weight  0.10000E+01 volume  0.11189E-01 ppm1      8.962 ppm2      4.803 CV     1}
 ASSI {   15}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 52   and name HB1 ))
      3.000     3.000     3.000 {peak    15 spectrum    1 weight  0.10000E+01 volume  0.11712E-02 ppm1      8.962 ppm2      1.842 CV     1}
 ASSI {   16}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 43   and name HG11))
      3.400     3.400     2.600 {peak    16 spectrum    1 weight  0.10000E+01 volume  0.61168E-03 ppm1      8.961 ppm2      1.441 CV     1}
 ASSI {   17}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 43   and name HG12))
      4.100     2.100     1.900 {peak    17 spectrum    1 weight  0.10000E+01 volume  0.19047E-03 ppm1      8.962 ppm2      1.247 CV     1}
 ASSI {   18}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 16   and name HB2 ))
      2.900     2.900     3.100 {peak    18 spectrum    1 weight  0.10000E+01 volume  0.14323E-02 ppm1      8.515 ppm2      2.933 CV     1}
 ASSI {   19}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 3    and name HG2 ))
      2.700     0.900     0.900 {peak    19 spectrum    1 weight  0.10000E+01 volume  0.24144E-02 ppm1      8.515 ppm2      2.192 CV     1}
 ASSI {   20}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 2    and name HB1 ))
      2.400     2.400     3.600 {peak    20 spectrum    1 weight  0.10000E+01 volume  0.41773E-02 ppm1      8.515 ppm2      2.014 CV     1}
 ASSI {   21}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 4    and name HD2 ))
      2.800     2.800     3.200 {peak    21 spectrum    1 weight  0.10000E+01 volume  0.18698E-02 ppm1      8.515 ppm2      1.603 CV     1}
 OR {   21}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 4    and name HD1 ))
 ASSI {   22}
   (( segid "A   " and resid 3    and name HN  ))
   (  segid "A   " and resid 17   and name HG2%)
      2.500     2.500     3.500 {peak    22 spectrum    1 weight  0.10000E+01 volume  0.32573E-02 ppm1      8.515 ppm2      0.767 CV     1}
 ASSI {   23}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 3    and name HA  ))
      2.400     0.700     0.700 {peak    23 spectrum    1 weight  0.10000E+01 volume  0.46995E-02 ppm1      8.699 ppm2      4.760 CV     1}
 ASSI {   24}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
      3.200     1.300     1.300 {peak    24 spectrum    1 weight  0.10000E+01 volume  0.77330E-03 ppm1      8.699 ppm2      3.062 CV     1}
 ASSI {   26}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 3    and name HG1 ))
      2.400     0.700     0.700 {peak    26 spectrum    1 weight  0.10000E+01 volume  0.49482E-02 ppm1      8.700 ppm2      2.402 CV     1}
 ASSI {   27}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 3    and name HB2 ))
      2.700     0.900     0.900 {peak    27 spectrum    1 weight  0.10000E+01 volume  0.24865E-02 ppm1      8.699 ppm2      1.895 CV     1}
 ASSI {   28}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 4    and name HG1 ))
      2.800     1.000     1.000 {peak    28 spectrum    1 weight  0.10000E+01 volume  0.17530E-02 ppm1      8.699 ppm2      1.513 CV     1}
 OR {   28}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 4    and name HG2 ))
 ASSI {   29}
   (( segid "A   " and resid 4    and name HN  ))
   (  segid "A   " and resid 5    and name HG2%)
      3.400     3.400     2.600 {peak    29 spectrum    1 weight  0.10000E+01 volume  0.61665E-03 ppm1      8.701 ppm2      0.728 CV     1}
 ASSI {   30}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 7    and name HD21))
      3.800     1.800     1.800 {peak    30 spectrum    1 weight  0.10000E+01 volume  0.29092E-03 ppm1      8.701 ppm2      6.811 CV     1}
 ASSI {   32}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 7    and name HD22))
      3.600     1.600     1.600 {peak    32 spectrum    1 weight  0.10000E+01 volume  0.40033E-03 ppm1      8.700 ppm2      7.932 CV     1}
 ASSI {   33}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 5    and name HN  ))
      3.700     1.700     1.700 {peak    33 spectrum    1 weight  0.10000E+01 volume  0.36055E-03 ppm1      8.703 ppm2      9.797 CV     1}
 ASSI {   35}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 6    and name HN  ))
      2.900     1.000     1.000 {peak    35 spectrum    1 weight  0.10000E+01 volume  0.15317E-02 ppm1      9.798 ppm2      9.499 CV     1}
 ASSI {   36}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 46   and name HN  ))
      4.700     2.700     1.300 {peak    36 spectrum    1 weight  0.10000E+01 volume  0.85287E-04 ppm1      9.799 ppm2      9.173 CV     1}
 ASSI {   39}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 6    and name HA1 ))
      4.000     2.000     2.000 {peak    39 spectrum    1 weight  0.10000E+01 volume  0.22379E-03 ppm1      9.800 ppm2      3.646 CV     1}
 OR {   39}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 6    and name HA2 ))
 ASSI {   42}
   (( segid "A   " and resid 5    and name HN  ))
   (  segid "A   " and resid 48   and name HG2%)
      3.500     1.500     1.500 {peak    42 spectrum    1 weight  0.10000E+01 volume  0.47492E-03 ppm1      9.798 ppm2      1.140 CV     1}
 ASSI {   43}
   (( segid "A   " and resid 5    and name HN  ))
   (  segid "A   " and resid 5    and name HG2%)
      2.300     0.700     0.700 {peak    43 spectrum    1 weight  0.10000E+01 volume  0.59925E-02 ppm1      9.798 ppm2      0.761 CV     1}
 ASSI {   44}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 4    and name HG1 ))
      2.800     1.000     1.000 {peak    44 spectrum    1 weight  0.10000E+01 volume  0.19992E-02 ppm1      9.798 ppm2      1.544 CV     1}
 OR {   44}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 4    and name HG2 ))
 ASSI {   45}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 48   and name HB  ))
      3.300     1.400     1.400 {peak    45 spectrum    1 weight  0.10000E+01 volume  0.65893E-03 ppm1      9.489 ppm2      4.467 CV     1}
 ASSI {   46}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 6    and name HA1 ))
      2.300     0.700     0.700 {peak    46 spectrum    1 weight  0.10000E+01 volume  0.58931E-02 ppm1      9.491 ppm2      3.634 CV     1}
 OR {   46}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 6    and name HA2 ))
 ASSI {   47}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
      5.700     4.000     0.300 {peak    47 spectrum    1 weight  0.10000E+01 volume  0.26606E-04 ppm1      9.492 ppm2      3.076 CV     1}
 ASSI {   48}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 4    and name HB1 ))
      3.600     1.600     1.600 {peak    48 spectrum    1 weight  0.10000E+01 volume  0.38790E-03 ppm1      9.486 ppm2      2.381 CV     1}
 ASSI {   49}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 5    and name HB  ))
      2.800     1.000     1.000 {peak    49 spectrum    1 weight  0.10000E+01 volume  0.16610E-02 ppm1      9.493 ppm2      1.857 CV     1}
 ASSI {   50}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 4    and name HG2 ))
      3.600     1.600     1.600 {peak    50 spectrum    1 weight  0.10000E+01 volume  0.39784E-03 ppm1      9.486 ppm2      1.538 CV     1}
 OR {   50}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 4    and name HG1 ))
 ASSI {   51}
   (( segid "A   " and resid 6    and name HN  ))
   (  segid "A   " and resid 48   and name HG2%)
      3.300     1.400     1.400 {peak    51 spectrum    1 weight  0.10000E+01 volume  0.67384E-03 ppm1      9.492 ppm2      1.139 CV     1}
 ASSI {   53}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 49   and name HN  ))
      2.400     2.400     3.600 {peak    53 spectrum    1 weight  0.10000E+01 volume  0.50973E-02 ppm1      9.490 ppm2      7.760 CV     1}
 ASSI {   54}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 4    and name HN  ))
      4.300     2.300     1.700 {peak    54 spectrum    1 weight  0.10000E+01 volume  0.14571E-03 ppm1      9.495 ppm2      8.736 CV     1}
 ASSI {   56}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 7    and name HD21))
      4.300     2.300     1.700 {peak    56 spectrum    1 weight  0.10000E+01 volume  0.14397E-03 ppm1      7.650 ppm2      6.818 CV     1}
 ASSI {   58}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HA2 ))
      2.700     0.900     0.900 {peak    58 spectrum    1 weight  0.10000E+01 volume  0.24069E-02 ppm1      7.653 ppm2      3.622 CV     1}
 OR {   58}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HA1 ))
 ASSI {   59}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
      2.700     0.900     0.900 {peak    59 spectrum    1 weight  0.10000E+01 volume  0.22304E-02 ppm1      7.653 ppm2      3.096 CV     1}
 ASSI {   60}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 7    and name HB2 ))
      2.200     0.600     0.600 {peak    60 spectrum    1 weight  0.10000E+01 volume  0.84541E-02 ppm1      7.654 ppm2      2.766 CV     1}
 ASSI {   61}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 8    and name HG  ))
      2.900     2.900     3.100 {peak    61 spectrum    1 weight  0.10000E+01 volume  0.16038E-02 ppm1      7.654 ppm2      2.241 CV     1}
 ASSI {   62}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 8    and name HN  ))
      2.300     0.600     0.600 {peak    62 spectrum    1 weight  0.10000E+01 volume  0.64649E-02 ppm1      7.653 ppm2      7.426 CV     1}
 ASSI {   63}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 4    and name HN  ))
      3.200     1.300     1.300 {peak    63 spectrum    1 weight  0.10000E+01 volume  0.78325E-03 ppm1      7.652 ppm2      8.693 CV     1}
 ASSI {   64}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HN  ))
      2.600     0.900     0.900 {peak    64 spectrum    1 weight  0.10000E+01 volume  0.25860E-02 ppm1      7.653 ppm2      9.492 CV     1}
 ASSI {   65}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 5    and name HN  ))
      3.900     1.900     1.900 {peak    65 spectrum    1 weight  0.10000E+01 volume  0.25611E-03 ppm1      7.649 ppm2      9.790 CV     1}
 ASSI {   66}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 4    and name HG2 ))
      4.000     2.000     2.000 {peak    66 spectrum    1 weight  0.10000E+01 volume  0.22752E-03 ppm1      7.652 ppm2      1.545 CV     1}
 OR {   66}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 4    and name HG1 ))
 ASSI {   67}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 5    and name HB  ))
      3.600     1.600     1.600 {peak    67 spectrum    1 weight  0.10000E+01 volume  0.39038E-03 ppm1      7.655 ppm2      1.844 CV     1}
 ASSI {   69}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 8    and name HB1 ))
      5.000     3.100     1.000 {peak    69 spectrum    1 weight  0.10000E+01 volume  0.55698E-04 ppm1      7.652 ppm2      1.182 CV     1}
 ASSI {   70}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 33   and name HG1 ))
      3.500     1.500     1.500 {peak    70 spectrum    1 weight  0.10000E+01 volume  0.48238E-03 ppm1      6.809 ppm2      1.569 CV     1}
 ASSI {   71}
   (( segid "A   " and resid 16   and name HD22))
   (( segid "A   " and resid 16   and name HB2 ))
      2.900     1.100     1.100 {peak    71 spectrum    1 weight  0.10000E+01 volume  0.14521E-02 ppm1      6.813 ppm2      2.853 CV     1}
 ASSI {   72}
   (( segid "A   " and resid 34   and name HD21))
   (( segid "A   " and resid 34   and name HD22))
      2.500     0.800     0.800 {peak    72 spectrum    1 weight  0.10000E+01 volume  0.39287E-02 ppm1      6.819 ppm2      7.483 CV     1}
 ASSI {   73}
   (( segid "A   " and resid 7    and name HD21))
   (( segid "A   " and resid 7    and name HD22))
      2.200     0.600     0.600 {peak    73 spectrum    1 weight  0.10000E+01 volume  0.70865E-02 ppm1      6.810 ppm2      7.947 CV     1}
 ASSI {   75}
   (( segid "A   " and resid 7    and name HD21))
   (( segid "A   " and resid 7    and name HA  ))
      4.300     2.300     1.700 {peak    75 spectrum    1 weight  0.10000E+01 volume  0.14397E-03 ppm1      6.808 ppm2      4.914 CV     1}
 ASSI {   76}
   (( segid "A   " and resid 7    and name HD21))
   (( segid "A   " and resid 3    and name HG2 ))
      6.000     5.700     0.000 {peak    76 spectrum    1 weight  0.10000E+01 volume  0.91504E-05 ppm1      6.813 ppm2      2.268 CV     1}
 ASSI {   77}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 14   and name HA  ))
      2.500     0.800     0.800 {peak    77 spectrum    1 weight  0.10000E+01 volume  0.36303E-02 ppm1      7.918 ppm2      4.919 CV     1}
 ASSI {   78}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 14   and name HB2 ))
      2.700     0.900     0.900 {peak    78 spectrum    1 weight  0.10000E+01 volume  0.20688E-02 ppm1      7.919 ppm2      3.911 CV     1}
 OR {   78}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 14   and name HB1 ))
 ASSI {   81}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 13   and name HN  ))
      3.200     1.300     1.300 {peak    81 spectrum    1 weight  0.10000E+01 volume  0.76087E-03 ppm1      7.918 ppm2      8.564 CV     1}
 ASSI {   84}
   (( segid "A   " and resid 14   and name HN  ))
   (  segid "A   " and resid 15   and name HG2%)
      3.400     1.500     1.500 {peak    84 spectrum    1 weight  0.10000E+01 volume  0.54206E-03 ppm1      7.921 ppm2      0.783 CV     1}
 ASSI {   85}
   (( segid "A   " and resid 7    and name HD22))
   (( segid "A   " and resid 4    and name HD1 ))
      3.900     1.900     1.900 {peak    85 spectrum    1 weight  0.10000E+01 volume  0.24865E-03 ppm1      7.946 ppm2      1.595 CV     1}
 OR {   85}
   (( segid "A   " and resid 7    and name HD22))
   (( segid "A   " and resid 4    and name HD2 ))
 ASSI {   86}
   (( segid "A   " and resid 7    and name HD22))
   (( segid "A   " and resid 7    and name HB1 ))
      3.700     1.700     1.700 {peak    86 spectrum    1 weight  0.10000E+01 volume  0.36552E-03 ppm1      7.945 ppm2      3.083 CV     1}
 ASSI {   88}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 8    and name HB1 ))
      2.500     0.800     0.800 {peak    88 spectrum    1 weight  0.10000E+01 volume  0.40530E-02 ppm1      7.431 ppm2      1.189 CV     1}
 ASSI {   89}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 8    and name HB2 ))
      2.400     2.400     3.600 {peak    89 spectrum    1 weight  0.10000E+01 volume  0.48984E-02 ppm1      7.430 ppm2      1.784 CV     1}
 ASSI {   90}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 8    and name HG  ))
      2.300     0.700     0.700 {peak    90 spectrum    1 weight  0.10000E+01 volume  0.61168E-02 ppm1      7.431 ppm2      2.206 CV     1}
 ASSI {   91}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 7    and name HB2 ))
      3.300     1.400     1.400 {peak    91 spectrum    1 weight  0.10000E+01 volume  0.69125E-03 ppm1      7.432 ppm2      2.775 CV     1}
 ASSI {   92}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
      2.700     2.700     3.300 {peak    92 spectrum    1 weight  0.10000E+01 volume  0.21956E-02 ppm1      7.431 ppm2      3.116 CV     1}
 ASSI {   93}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 6    and name HA2 ))
      3.300     1.400     1.400 {peak    93 spectrum    1 weight  0.10000E+01 volume  0.66638E-03 ppm1      7.433 ppm2      3.579 CV     1}
 OR {   93}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 6    and name HA1 ))
 ASSI {   94}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 8    and name HA  ))
      2.700     0.900     0.900 {peak    94 spectrum    1 weight  0.10000E+01 volume  0.24293E-02 ppm1      7.431 ppm2      4.001 CV     1}
 ASSI {   95}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 112  and name HA  ))
      3.900     1.900     1.900 {peak    95 spectrum    1 weight  0.10000E+01 volume  0.24169E-03 ppm1      7.433 ppm2      4.578 CV     1}
 ASSI {   98}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 4    and name HN  ))
      4.200     2.200     1.800 {peak    98 spectrum    1 weight  0.10000E+01 volume  0.15317E-03 ppm1      7.432 ppm2      8.705 CV     1}
 ASSI {   99}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 6    and name HN  ))
      3.600     1.600     1.600 {peak    99 spectrum    1 weight  0.10000E+01 volume  0.43017E-03 ppm1      7.430 ppm2      9.500 CV     1}
 ASSI {  100}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 5    and name HN  ))
      4.700     2.700     1.300 {peak   100 spectrum    1 weight  0.10000E+01 volume  0.83547E-04 ppm1      7.429 ppm2      9.777 CV     1}
 ASSI {  101}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 9    and name HA  ))
      2.600     0.800     0.800 {peak   101 spectrum    1 weight  0.10000E+01 volume  0.31330E-02 ppm1      7.641 ppm2      4.835 CV     1}
 ASSI {  103}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 8    and name HA  ))
      2.100     0.500     0.500 {peak   103 spectrum    1 weight  0.10000E+01 volume  0.11363E-01 ppm1      7.639 ppm2      3.999 CV     1}
 ASSI {  104}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 9    and name HE2 ))
      4.100     2.100     1.900 {peak   104 spectrum    1 weight  0.10000E+01 volume  0.17828E-03 ppm1      7.642 ppm2      3.116 CV     1}
 OR {  104}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 9    and name HE1 ))
 ASSI {  105}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 8    and name HB1 ))
      2.700     2.700     3.300 {peak   105 spectrum    1 weight  0.10000E+01 volume  0.22379E-02 ppm1      7.639 ppm2      1.228 CV     1}
 ASSI {  106}
   (( segid "A   " and resid 9    and name HN  ))
   (  segid "A   " and resid 8    and name HD1%)
      2.300     0.600     0.600 {peak   106 spectrum    1 weight  0.10000E+01 volume  0.67384E-02 ppm1      7.639 ppm2      0.689 CV     1}
 ASSI {  107}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 8    and name HG  ))
      2.600     2.600     3.400 {peak   107 spectrum    1 weight  0.10000E+01 volume  0.26108E-02 ppm1      7.639 ppm2      2.258 CV     1}
 ASSI {  108}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 9    and name HB1 ))
      2.700     2.700     3.300 {peak   108 spectrum    1 weight  0.10000E+01 volume  0.25363E-02 ppm1      7.639 ppm2      1.609 CV     1}
 ASSI {  109}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 12   and name HG1 ))
      3.300     1.300     1.300 {peak   109 spectrum    1 weight  0.10000E+01 volume  0.74098E-03 ppm1      7.640 ppm2      2.613 CV     1}
 OR {  109}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 12   and name HG2 ))
 ASSI {  114}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 12   and name HN  ))
      2.500     0.800     0.800 {peak   114 spectrum    1 weight  0.10000E+01 volume  0.33071E-02 ppm1      7.065 ppm2      8.134 CV     1}
 ASSI {  115}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 76   and name HA  ))
      4.600     2.600     1.400 {peak   115 spectrum    1 weight  0.10000E+01 volume  0.98218E-04 ppm1      7.066 ppm2      5.837 CV     1}
 ASSI {  116}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 75   and name HA  ))
      4.800     2.800     1.200 {peak   116 spectrum    1 weight  0.10000E+01 volume  0.76087E-04 ppm1      7.068 ppm2      5.447 CV     1}
 ASSI {  117}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HA  ))
      2.300     0.600     0.600 {peak   117 spectrum    1 weight  0.10000E+01 volume  0.65644E-02 ppm1      7.065 ppm2      4.539 CV     1}
 ASSI {  118}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 10   and name HA  ))
      2.400     0.700     0.700 {peak   118 spectrum    1 weight  0.10000E+01 volume  0.41773E-02 ppm1      7.065 ppm2      4.028 CV     1}
 ASSI {  119}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 10   and name HD1 ))
      5.300     3.600     0.700 {peak   119 spectrum    1 weight  0.10000E+01 volume  0.38541E-04 ppm1      7.064 ppm2      3.672 CV     1}
 ASSI {  120}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HB2 ))
      2.700     0.900     0.900 {peak   120 spectrum    1 weight  0.10000E+01 volume  0.21135E-02 ppm1      7.065 ppm2      3.002 CV     1}
 ASSI {  121}
   (( segid "A   " and resid 11   and name HN  ))
   (  segid "A   " and resid 83   and name HG1%)
      3.100     1.200     1.200 {peak   121 spectrum    1 weight  0.10000E+01 volume  0.91504E-03 ppm1      7.067 ppm2      0.725 CV     1}
 OR {  121}
   (( segid "A   " and resid 11   and name HN  ))
   (  segid "A   " and resid 83   and name HG2%)
 ASSI {  122}
   (( segid "A   " and resid 11   and name HN  ))
   (  segid "A   " and resid 76   and name HG2%)
      3.200     1.300     1.300 {peak   122 spectrum    1 weight  0.10000E+01 volume  0.77827E-03 ppm1      7.063 ppm2      1.182 CV     1}
 ASSI {  123}
   (( segid "A   " and resid 11   and name HN  ))
   (  segid "A   " and resid 77   and name HG2%)
      3.800     1.800     1.800 {peak   123 spectrum    1 weight  0.10000E+01 volume  0.27600E-03 ppm1      7.063 ppm2      1.524 CV     1}
 ASSI {  124}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 77   and name HA  ))
      2.800     1.000     1.000 {peak   124 spectrum    1 weight  0.10000E+01 volume  0.17431E-02 ppm1      7.066 ppm2      4.879 CV     1}
 ASSI {  125}
   (( segid "A   " and resid 11   and name HD22))
   (( segid "A   " and resid 11   and name HD21))
      2.800     1.000     1.000 {peak   125 spectrum    1 weight  0.10000E+01 volume  0.17804E-02 ppm1      7.503 ppm2      6.823 CV     1}
 ASSI {  126}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 76   and name HN  ))
      2.800     1.000     1.000 {peak   126 spectrum    1 weight  0.10000E+01 volume  0.18574E-02 ppm1      8.134 ppm2      9.065 CV     1}
 ASSI {  127}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 77   and name HN  ))
      5.000     3.200     1.000 {peak   127 spectrum    1 weight  0.10000E+01 volume  0.53957E-04 ppm1      8.135 ppm2      8.823 CV     1}
 ASSI {  129}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 9    and name HN  ))
      4.600     2.700     1.400 {peak   129 spectrum    1 weight  0.10000E+01 volume  0.92248E-04 ppm1      8.132 ppm2      7.635 CV     1}
 ASSI {  131}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 75   and name HA  ))
      4.800     2.900     1.200 {peak   131 spectrum    1 weight  0.10000E+01 volume  0.71860E-04 ppm1      8.139 ppm2      5.470 CV     1}
 ASSI {  132}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 11   and name HA  ))
      2.500     0.800     0.800 {peak   132 spectrum    1 weight  0.10000E+01 volume  0.34811E-02 ppm1      8.135 ppm2      4.543 CV     1}
 ASSI {  133}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 10   and name HA  ))
      3.000     1.100     1.100 {peak   133 spectrum    1 weight  0.10000E+01 volume  0.11562E-02 ppm1      8.134 ppm2      4.020 CV     1}
 ASSI {  134}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 11   and name HB2 ))
      3.500     1.600     1.600 {peak   134 spectrum    1 weight  0.10000E+01 volume  0.45005E-03 ppm1      8.133 ppm2      2.994 CV     1}
 ASSI {  135}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 12   and name HG1 ))
      2.600     0.800     0.800 {peak   135 spectrum    1 weight  0.10000E+01 volume  0.30087E-02 ppm1      8.134 ppm2      2.615 CV     1}
 OR {  135}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 12   and name HG2 ))
 ASSI {  136}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 12   and name HB1 ))
      2.500     0.800     0.800 {peak   136 spectrum    1 weight  0.10000E+01 volume  0.38043E-02 ppm1      8.134 ppm2      2.077 CV     1}
 ASSI {  137}
   (( segid "A   " and resid 12   and name HN  ))
   (  segid "A   " and resid 76   and name HG2%)
      3.300     1.400     1.400 {peak   137 spectrum    1 weight  0.10000E+01 volume  0.63406E-03 ppm1      8.134 ppm2      1.157 CV     1}
 ASSI {  138}
   (( segid "A   " and resid 12   and name HN  ))
   (  segid "A   " and resid 83   and name HG1%)
      3.600     1.600     1.600 {peak   138 spectrum    1 weight  0.10000E+01 volume  0.43514E-03 ppm1      8.135 ppm2      0.763 CV     1}
 OR {  138}
   (( segid "A   " and resid 12   and name HN  ))
   (  segid "A   " and resid 83   and name HG2%)
 ASSI {  140}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 12   and name HN  ))
      4.800     2.900     1.200 {peak   140 spectrum    1 weight  0.10000E+01 volume  0.73849E-04 ppm1      8.556 ppm2      8.160 CV     1}
 ASSI {  141}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 75   and name HA  ))
      3.700     1.700     1.700 {peak   141 spectrum    1 weight  0.10000E+01 volume  0.32325E-03 ppm1      9.068 ppm2      5.504 CV     1}
 ASSI {  143}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 15   and name HA  ))
      2.800     0.900     0.900 {peak   143 spectrum    1 weight  0.10000E+01 volume  0.20240E-02 ppm1      9.066 ppm2      4.363 CV     1}
 ASSI {  144}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 14   and name HB1 ))
      3.000     1.100     1.100 {peak   144 spectrum    1 weight  0.10000E+01 volume  0.12433E-02 ppm1      9.067 ppm2      3.854 CV     1}
 OR {  144}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 14   and name HB2 ))
 ASSI {  145}
   (( segid "A   " and resid 15   and name HN  ))
   (  segid "A   " and resid 12   and name HE% )
      4.000     2.000     2.000 {peak   145 spectrum    1 weight  0.10000E+01 volume  0.23000E-03 ppm1      9.065 ppm2      2.131 CV     1}
 ASSI {  146}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 15   and name HB  ))
      2.700     0.900     0.900 {peak   146 spectrum    1 weight  0.10000E+01 volume  0.24865E-02 ppm1      9.066 ppm2      1.799 CV     1}
 ASSI {  147}
   (( segid "A   " and resid 15   and name HN  ))
   (  segid "A   " and resid 74   and name HB% )
      3.200     1.300     1.300 {peak   147 spectrum    1 weight  0.10000E+01 volume  0.87276E-03 ppm1      9.066 ppm2      1.264 CV     1}
 ASSI {  148}
   (( segid "A   " and resid 15   and name HN  ))
   (  segid "A   " and resid 15   and name HG2%)
      2.600     0.900     0.900 {peak   148 spectrum    1 weight  0.10000E+01 volume  0.26606E-02 ppm1      9.066 ppm2      0.787 CV     1}
 ASSI {  149}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 14   and name HN  ))
      3.100     1.200     1.200 {peak   149 spectrum    1 weight  0.10000E+01 volume  0.10841E-02 ppm1      9.067 ppm2      7.917 CV     1}
 ASSI {  150}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 16   and name HN  ))
      3.300     1.400     1.400 {peak   150 spectrum    1 weight  0.10000E+01 volume  0.64400E-03 ppm1      9.068 ppm2      8.278 CV     1}
 ASSI {  153}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 16   and name HD21))
      4.200     2.200     1.800 {peak   153 spectrum    1 weight  0.10000E+01 volume  0.17132E-03 ppm1      8.284 ppm2      7.446 CV     1}
 ASSI {  154}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 16   and name HD22))
      4.400     2.500     1.600 {peak   154 spectrum    1 weight  0.10000E+01 volume  0.11513E-03 ppm1      8.273 ppm2      6.798 CV     1}
 ASSI {  156}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 2    and name HA  ))
      2.800     2.800     3.200 {peak   156 spectrum    1 weight  0.10000E+01 volume  0.17928E-02 ppm1      8.277 ppm2      4.890 CV     1}
 ASSI {  157}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 17   and name HB  ))
      3.000     3.000     3.000 {peak   157 spectrum    1 weight  0.10000E+01 volume  0.11463E-02 ppm1      8.276 ppm2      2.167 CV     1}
 ASSI {  158}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 15   and name HB  ))
      2.900     2.900     3.100 {peak   158 spectrum    1 weight  0.10000E+01 volume  0.16162E-02 ppm1      8.275 ppm2      1.783 CV     1}
 ASSI {  159}
   (( segid "A   " and resid 16   and name HN  ))
   (  segid "A   " and resid 17   and name HG2%)
      2.300     2.300     3.700 {peak   159 spectrum    1 weight  0.10000E+01 volume  0.61168E-02 ppm1      8.276 ppm2      0.790 CV     1}
 ASSI {  161}
   (( segid "A   " and resid 16   and name HD21))
   (( segid "A   " and resid 17   and name HA  ))
      4.300     2.400     1.700 {peak   161 spectrum    1 weight  0.10000E+01 volume  0.13054E-03 ppm1      7.467 ppm2      4.904 CV     1}
 ASSI {  162}
   (( segid "A   " and resid 34   and name HD22))
   (( segid "A   " and resid 34   and name HB1 ))
      3.200     1.300     1.300 {peak   162 spectrum    1 weight  0.10000E+01 volume  0.80066E-03 ppm1      7.467 ppm2      2.972 CV     1}
 ASSI {  163}
   (( segid "A   " and resid 16   and name HD21))
   (( segid "A   " and resid 17   and name HB  ))
      3.700     1.700     1.700 {peak   163 spectrum    1 weight  0.10000E+01 volume  0.32325E-03 ppm1      7.470 ppm2      2.135 CV     1}
 ASSI {  164}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 71   and name HN  ))
      2.900     1.000     1.000 {peak   164 spectrum    1 weight  0.10000E+01 volume  0.16013E-02 ppm1      8.726 ppm2      9.076 CV     1}
 ASSI {  165}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 16   and name HN  ))
      3.400     1.400     1.400 {peak   165 spectrum    1 weight  0.10000E+01 volume  0.58432E-03 ppm1      8.725 ppm2      8.313 CV     1}
 ASSI {  167}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 72   and name HA  ))
      2.700     0.900     0.900 {peak   167 spectrum    1 weight  0.10000E+01 volume  0.24193E-02 ppm1      8.728 ppm2      5.024 CV     1}
 ASSI {  169}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 16   and name HB1 ))
      2.600     2.600     3.400 {peak   169 spectrum    1 weight  0.10000E+01 volume  0.28346E-02 ppm1      8.728 ppm2      2.976 CV     1}
 ASSI {  170}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 15   and name HA  ))
      4.100     2.100     1.900 {peak   170 spectrum    1 weight  0.10000E+01 volume  0.19842E-03 ppm1      8.731 ppm2      4.426 CV     1}
 ASSI {  171}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 17   and name HB  ))
      3.100     1.200     1.200 {peak   171 spectrum    1 weight  0.10000E+01 volume  0.98462E-03 ppm1      8.725 ppm2      2.133 CV     1}
 ASSI {  172}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 71   and name HB  ))
      2.600     0.900     0.900 {peak   172 spectrum    1 weight  0.10000E+01 volume  0.26606E-02 ppm1      8.728 ppm2      1.791 CV     1}
 ASSI {  173}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 71   and name HG12))
      3.600     1.600     1.600 {peak   173 spectrum    1 weight  0.10000E+01 volume  0.40033E-03 ppm1      8.727 ppm2      1.423 CV     1}
 ASSI {  174}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 71   and name HG11))
      2.300     2.300     3.700 {peak   174 spectrum    1 weight  0.10000E+01 volume  0.67384E-02 ppm1      8.728 ppm2      0.683 CV     1}
 ASSI {  175}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 17   and name HN  ))
      3.800     1.800     1.800 {peak   175 spectrum    1 weight  0.10000E+01 volume  0.29838E-03 ppm1      8.365 ppm2      8.712 CV     1}
 ASSI {  176}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 17   and name HB  ))
      2.200     2.200     3.800 {peak   176 spectrum    1 weight  0.10000E+01 volume  0.81806E-02 ppm1      8.363 ppm2      2.146 CV     1}
 ASSI {  177}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 71   and name HG11))
      2.200     2.200     3.800 {peak   177 spectrum    1 weight  0.10000E+01 volume  0.79320E-02 ppm1      8.363 ppm2      0.695 CV     1}
 ASSI {  178}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 20   and name HN  ))
      4.000     2.000     2.000 {peak   178 spectrum    1 weight  0.10000E+01 volume  0.21782E-03 ppm1      8.648 ppm2      9.284 CV     1}
 ASSI {  181}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 70   and name HA  ))
      3.000     1.200     1.200 {peak   181 spectrum    1 weight  0.10000E+01 volume  0.11090E-02 ppm1      8.644 ppm2      4.814 CV     1}
 ASSI {  182}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 18   and name HB  ))
      3.800     1.800     1.800 {peak   182 spectrum    1 weight  0.10000E+01 volume  0.28844E-03 ppm1      8.644 ppm2      4.054 CV     1}
 ASSI {  183}
   (( segid "A   " and resid 19   and name HN  ))
   (  segid "A   " and resid 101  and name HD% )
      4.200     2.200     1.800 {peak   183 spectrum    1 weight  0.10000E+01 volume  0.16710E-03 ppm1      8.648 ppm2      7.477 CV     1}
 ASSI {  184}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 19   and name HB  ))
      3.100     1.200     1.200 {peak   184 spectrum    1 weight  0.10000E+01 volume  0.10120E-02 ppm1      8.644 ppm2      2.115 CV     1}
 ASSI {  185}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 69   and name HB  ))
      4.300     2.400     1.700 {peak   185 spectrum    1 weight  0.10000E+01 volume  0.13054E-03 ppm1      8.646 ppm2      1.759 CV     1}
 ASSI {  186}
   (( segid "A   " and resid 19   and name HN  ))
   (  segid "A   " and resid 19   and name HG2%)
      2.400     0.700     0.700 {peak   186 spectrum    1 weight  0.10000E+01 volume  0.47741E-02 ppm1      8.644 ppm2      0.484 CV     1}
 ASSI {  187}
   (( segid "A   " and resid 19   and name HN  ))
   (  segid "A   " and resid 68   and name HG2%)
      3.200     3.200     2.800 {peak   187 spectrum    1 weight  0.10000E+01 volume  0.79568E-03 ppm1      8.642 ppm2     -0.060 CV     1}
 ASSI {  188}
   (( segid "A   " and resid 19   and name HN  ))
   (  segid "A   " and resid 17   and name HG2%)
      2.700     2.700     3.300 {peak   188 spectrum    1 weight  0.10000E+01 volume  0.23349E-02 ppm1      8.644 ppm2      0.725 CV     1}
 ASSI {  189}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 20   and name HD1 ))
      4.600     2.600     1.400 {peak   189 spectrum    1 weight  0.10000E+01 volume  0.94988E-04 ppm1      8.645 ppm2      3.315 CV     1}
 OR {  189}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 20   and name HD2 ))
 ASSI {  191}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 20   and name HB1 ))
      2.900     1.100     1.100 {peak   191 spectrum    1 weight  0.10000E+01 volume  0.13527E-02 ppm1      9.291 ppm2      1.692 CV     1}
 ASSI {  192}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 20   and name HB2 ))
      2.300     0.700     0.700 {peak   192 spectrum    1 weight  0.10000E+01 volume  0.54454E-02 ppm1      9.291 ppm2      2.075 CV     1}
 ASSI {  193}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 20   and name HD2 ))
      3.600     1.600     1.600 {peak   193 spectrum    1 weight  0.10000E+01 volume  0.41027E-03 ppm1      9.290 ppm2      3.311 CV     1}
 OR {  193}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 20   and name HD1 ))
 ASSI {  194}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 46   and name HA  ))
      4.200     2.200     1.800 {peak   194 spectrum    1 weight  0.10000E+01 volume  0.16461E-03 ppm1      9.291 ppm2      4.762 CV     1}
 ASSI {  195}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 19   and name HA  ))
      2.300     0.600     0.600 {peak   195 spectrum    1 weight  0.10000E+01 volume  0.67633E-02 ppm1      9.291 ppm2      5.134 CV     1}
 ASSI {  196}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 44   and name HA  ))
      3.600     1.600     1.600 {peak   196 spectrum    1 weight  0.10000E+01 volume  0.40779E-03 ppm1      9.291 ppm2      5.639 CV     1}
 ASSI {  197}
   (( segid "A   " and resid 20   and name HN  ))
   (  segid "A   " and resid 101  and name HD% )
      2.900     1.000     1.000 {peak   197 spectrum    1 weight  0.10000E+01 volume  0.15740E-02 ppm1      9.292 ppm2      7.484 CV     1}
 ASSI {  200}
   (( segid "A   " and resid 20   and name HN  ))
   (  segid "A   " and resid 68   and name HG2%)
      4.600     2.600     1.400 {peak   200 spectrum    1 weight  0.10000E+01 volume  0.97973E-04 ppm1      9.289 ppm2     -0.031 CV     1}
 ASSI {  203}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 21   and name HA  ))
      2.600     0.800     0.800 {peak   203 spectrum    1 weight  0.10000E+01 volume  0.29590E-02 ppm1      9.001 ppm2      4.006 CV     1}
 ASSI {  204}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 68   and name HA  ))
      3.100     1.200     1.200 {peak   204 spectrum    1 weight  0.10000E+01 volume  0.10742E-02 ppm1      9.002 ppm2      4.726 CV     1}
 ASSI {  205}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 37   and name HD2 ))
      3.900     1.900     1.900 {peak   205 spectrum    1 weight  0.10000E+01 volume  0.25363E-03 ppm1      8.998 ppm2      3.408 CV     1}
 ASSI {  208}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 44   and name HN  ))
      3.100     1.200     1.200 {peak   208 spectrum    1 weight  0.10000E+01 volume  0.99460E-03 ppm1      9.262 ppm2      8.938 CV     1}
 ASSI {  209}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 43   and name HN  ))
      3.500     1.500     1.500 {peak   209 spectrum    1 weight  0.10000E+01 volume  0.50476E-03 ppm1      9.264 ppm2      8.552 CV     1}
 ASSI {  211}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 20   and name HA  ))
      5.100     3.300     0.900 {peak   211 spectrum    1 weight  0.10000E+01 volume  0.47741E-04 ppm1      9.265 ppm2      5.125 CV     1}
 ASSI {  212}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 22   and name HA  ))
      2.900     1.100     1.100 {peak   212 spectrum    1 weight  0.10000E+01 volume  0.14670E-02 ppm1      9.263 ppm2      4.397 CV     1}
 ASSI {  213}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 21   and name HA  ))
      2.300     0.600     0.600 {peak   213 spectrum    1 weight  0.10000E+01 volume  0.66141E-02 ppm1      9.264 ppm2      3.988 CV     1}
 ASSI {  214}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 21   and name HB  ))
      3.700     1.700     1.700 {peak   214 spectrum    1 weight  0.10000E+01 volume  0.35309E-03 ppm1      9.267 ppm2      2.403 CV     1}
 ASSI {  215}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 23   and name HB1 ))
      3.200     1.300     1.300 {peak   215 spectrum    1 weight  0.10000E+01 volume  0.86531E-03 ppm1      9.265 ppm2      1.940 CV     1}
 OR {  215}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 23   and name HB2 ))
 ASSI {  216}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 22   and name HB1 ))
      2.700     0.900     0.900 {peak   216 spectrum    1 weight  0.10000E+01 volume  0.23920E-02 ppm1      9.264 ppm2      1.660 CV     1}
 ASSI {  217}
   (( segid "A   " and resid 22   and name HN  ))
   (  segid "A   " and resid 44   and name HG2%)
      3.400     1.500     1.500 {peak   217 spectrum    1 weight  0.10000E+01 volume  0.56444E-03 ppm1      9.262 ppm2      0.593 CV     1}
 ASSI {  218}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 22   and name HN  ))
      2.300     0.600     0.600 {peak   218 spectrum    1 weight  0.10000E+01 volume  0.63406E-02 ppm1      7.586 ppm2      9.263 CV     1}
 ASSI {  219}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 21   and name HN  ))
      3.100     3.100     2.900 {peak   219 spectrum    1 weight  0.10000E+01 volume  0.96721E-03 ppm1      7.587 ppm2      9.035 CV     1}
 ASSI {  221}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 44   and name HA  ))
      3.500     1.500     1.500 {peak   221 spectrum    1 weight  0.10000E+01 volume  0.48736E-03 ppm1      7.586 ppm2      5.650 CV     1}
 ASSI {  222}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 42   and name HA  ))
      3.400     1.400     1.400 {peak   222 spectrum    1 weight  0.10000E+01 volume  0.58432E-03 ppm1      7.587 ppm2      5.049 CV     1}
 ASSI {  223}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 22   and name HA  ))
      2.600     0.800     0.800 {peak   223 spectrum    1 weight  0.10000E+01 volume  0.28844E-02 ppm1      7.586 ppm2      4.445 CV     1}
 ASSI {  224}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 21   and name HA  ))
      2.800     1.000     1.000 {peak   224 spectrum    1 weight  0.10000E+01 volume  0.17530E-02 ppm1      7.587 ppm2      4.022 CV     1}
 ASSI {  225}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 65   and name HA  ))
      4.900     3.000     1.100 {peak   225 spectrum    1 weight  0.10000E+01 volume  0.66390E-04 ppm1      7.586 ppm2      3.441 CV     1}
 ASSI {  226}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 22   and name HB1 ))
      2.500     2.500     3.500 {peak   226 spectrum    1 weight  0.10000E+01 volume  0.40281E-02 ppm1      7.586 ppm2      1.674 CV     1}
 ASSI {  227}
   (( segid "A   " and resid 23   and name HN  ))
   (  segid "A   " and resid 24   and name HB% )
      2.800     2.800     3.200 {peak   227 spectrum    1 weight  0.10000E+01 volume  0.17952E-02 ppm1      7.586 ppm2      1.285 CV     1}
 ASSI {  228}
   (( segid "A   " and resid 23   and name HN  ))
   (  segid "A   " and resid 21   and name HG1%)
      2.400     0.700     0.700 {peak   228 spectrum    1 weight  0.10000E+01 volume  0.42520E-02 ppm1      7.587 ppm2      0.607 CV     1}
 ASSI {  229}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 22   and name HG  ))
      2.600     2.600     3.400 {peak   229 spectrum    1 weight  0.10000E+01 volume  0.30832E-02 ppm1      7.587 ppm2      0.769 CV     1}
 ASSI {  230}
   (( segid "A   " and resid 24   and name HN  ))
   (  segid "A   " and resid 24   and name HB% )
      2.300     0.700     0.700 {peak   230 spectrum    1 weight  0.10000E+01 volume  0.60173E-02 ppm1      9.089 ppm2      1.286 CV     1}
 ASSI {  231}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 23   and name HN  ))
      3.200     1.300     1.300 {peak   231 spectrum    1 weight  0.10000E+01 volume  0.79320E-03 ppm1      9.088 ppm2      7.587 CV     1}
 ASSI {  233}
   (( segid "A   " and resid 24   and name HN  ))
   (  segid "A   " and resid 21   and name HG1%)
      2.000     2.000     4.000 {peak   233 spectrum    1 weight  0.10000E+01 volume  0.13253E-01 ppm1      9.089 ppm2      0.607 CV     1}
 ASSI {  234}
   (( segid "A   " and resid 25   and name HN  ))
   (  segid "A   " and resid 42   and name HB% )
      2.300     0.700     0.700 {peak   234 spectrum    1 weight  0.10000E+01 volume  0.62163E-02 ppm1      8.460 ppm2      1.292 CV     1}
 ASSI {  235}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 41   and name HB1 ))
      3.200     3.200     2.800 {peak   235 spectrum    1 weight  0.10000E+01 volume  0.80811E-03 ppm1      8.460 ppm2      1.916 CV     1}
 ASSI {  236}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 25   and name HB1 ))
      2.800     1.000     1.000 {peak   236 spectrum    1 weight  0.10000E+01 volume  0.17132E-02 ppm1      8.459 ppm2      3.913 CV     1}
 ASSI {  237}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 40   and name HB1 ))
      2.600     2.600     3.400 {peak   237 spectrum    1 weight  0.10000E+01 volume  0.31330E-02 ppm1      8.460 ppm2      4.094 CV     1}
 ASSI {  238}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 25   and name HA  ))
      2.300     0.700     0.700 {peak   238 spectrum    1 weight  0.10000E+01 volume  0.55947E-02 ppm1      8.459 ppm2      4.844 CV     1}
 ASSI {  239}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 42   and name HA  ))
      3.500     1.500     1.500 {peak   239 spectrum    1 weight  0.10000E+01 volume  0.51968E-03 ppm1      8.458 ppm2      5.158 CV     1}
 ASSI {  241}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 41   and name HN  ))
      3.300     1.400     1.400 {peak   241 spectrum    1 weight  0.10000E+01 volume  0.64400E-03 ppm1      8.459 ppm2      8.006 CV     1}
 ASSI {  242}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 24   and name HN  ))
      3.400     1.400     1.400 {peak   242 spectrum    1 weight  0.10000E+01 volume  0.57935E-03 ppm1      8.460 ppm2      9.097 CV     1}
 ASSI {  243}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 42   and name HN  ))
      4.100     2.100     1.900 {peak   243 spectrum    1 weight  0.10000E+01 volume  0.17828E-03 ppm1      8.461 ppm2      9.334 CV     1}
 ASSI {  244}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 25   and name HB1 ))
      3.300     1.300     1.300 {peak   244 spectrum    1 weight  0.10000E+01 volume  0.71114E-03 ppm1      8.617 ppm2      3.912 CV     1}
 ASSI {  245}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 26   and name HA  ))
      2.600     0.800     0.800 {peak   245 spectrum    1 weight  0.10000E+01 volume  0.31330E-02 ppm1      8.617 ppm2      4.309 CV     1}
 ASSI {  247}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 40   and name HB2 ))
      3.900     1.900     1.900 {peak   247 spectrum    1 weight  0.10000E+01 volume  0.27103E-03 ppm1      8.590 ppm2      3.340 CV     1}
 ASSI {  249}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 27   and name HN  ))
      3.500     1.500     1.500 {peak   249 spectrum    1 weight  0.10000E+01 volume  0.49233E-03 ppm1      9.246 ppm2      8.598 CV     1}
 ASSI {  250}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 39   and name HN  ))
      2.800     1.000     1.000 {peak   250 spectrum    1 weight  0.10000E+01 volume  0.18052E-02 ppm1      9.245 ppm2      8.798 CV     1}
 ASSI {  251}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 38   and name HA  ))
      3.600     1.600     1.600 {peak   251 spectrum    1 weight  0.10000E+01 volume  0.40530E-03 ppm1      9.248 ppm2      5.138 CV     1}
 ASSI {  252}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 38   and name HB  ))
      3.400     1.500     1.500 {peak   252 spectrum    1 weight  0.10000E+01 volume  0.53211E-03 ppm1      9.248 ppm2      4.030 CV     1}
 ASSI {  253}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 27   and name HA  ))
      2.100     0.500     0.500 {peak   253 spectrum    1 weight  0.10000E+01 volume  0.11686E-01 ppm1      9.245 ppm2      4.549 CV     1}
 ASSI {  254}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 28   and name HB2 ))
      3.100     1.200     1.200 {peak   254 spectrum    1 weight  0.10000E+01 volume  0.97719E-03 ppm1      9.245 ppm2      1.756 CV     1}
 OR {  254}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 28   and name HB1 ))
 ASSI {  255}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 28   and name HG2 ))
      3.600     1.600     1.600 {peak   255 spectrum    1 weight  0.10000E+01 volume  0.42768E-03 ppm1      9.246 ppm2      1.630 CV     1}
 ASSI {  256}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 39   and name HB  ))
      2.200     2.200     3.800 {peak   256 spectrum    1 weight  0.10000E+01 volume  0.76584E-02 ppm1      9.246 ppm2      1.154 CV     1}
 ASSI {  257}
   (( segid "A   " and resid 28   and name HN  ))
   (  segid "A   " and resid 39   and name HD1%)
      4.300     2.300     1.700 {peak   257 spectrum    1 weight  0.10000E+01 volume  0.13651E-03 ppm1      9.247 ppm2      0.116 CV     1}
 ASSI {  258}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 39   and name HG12))
      4.700     2.800     1.300 {peak   258 spectrum    1 weight  0.10000E+01 volume  0.79817E-04 ppm1      9.248 ppm2      0.452 CV     1}
 ASSI {  259}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 39   and name HG11))
      3.500     3.500     2.500 {peak   259 spectrum    1 weight  0.10000E+01 volume  0.47741E-03 ppm1      8.182 ppm2      0.843 CV     1}
 ASSI {  260}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HG1 ))
      3.400     1.400     1.400 {peak   260 spectrum    1 weight  0.10000E+01 volume  0.59179E-03 ppm1      8.182 ppm2      1.278 CV     1}
 ASSI {  261}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 29   and name HB1 ))
      2.000     2.000     4.000 {peak   261 spectrum    1 weight  0.10000E+01 volume  0.13825E-01 ppm1      8.183 ppm2      1.808 CV     1}
 ASSI {  262}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 29   and name HG2 ))
      2.800     1.000     1.000 {peak   262 spectrum    1 weight  0.10000E+01 volume  0.19321E-02 ppm1      8.183 ppm2      2.304 CV     1}
 ASSI {  263}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HD2 ))
      3.300     1.300     1.300 {peak   263 spectrum    1 weight  0.10000E+01 volume  0.72606E-03 ppm1      8.184 ppm2      3.113 CV     1}
 OR {  263}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HD1 ))
 ASSI {  264}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HA  ))
      2.100     0.500     0.500 {peak   264 spectrum    1 weight  0.10000E+01 volume  0.11736E-01 ppm1      8.183 ppm2      4.715 CV     1}
 ASSI {  265}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 29   and name HA  ))
      2.700     0.900     0.900 {peak   265 spectrum    1 weight  0.10000E+01 volume  0.25363E-02 ppm1      8.183 ppm2      5.273 CV     1}
 ASSI {  266}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 39   and name HN  ))
      4.300     2.400     1.700 {peak   266 spectrum    1 weight  0.10000E+01 volume  0.13278E-03 ppm1      8.183 ppm2      8.809 CV     1}
 ASSI {  267}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HN  ))
      3.200     1.300     1.300 {peak   267 spectrum    1 weight  0.10000E+01 volume  0.87028E-03 ppm1      8.184 ppm2      9.209 CV     1}
 ASSI {  268}
   (( segid "A   " and resid 29   and name HE21))
   (( segid "A   " and resid 29   and name HE22))
      2.400     0.700     0.700 {peak   268 spectrum    1 weight  0.10000E+01 volume  0.44011E-02 ppm1      6.679 ppm2      7.239 CV     1}
 ASSI {  269}
   (( segid "A   " and resid 29   and name HE21))
   (( segid "A   " and resid 29   and name HG1 ))
      4.100     2.100     1.900 {peak   269 spectrum    1 weight  0.10000E+01 volume  0.19693E-03 ppm1      6.677 ppm2      2.258 CV     1}
 ASSI {  270}
   (( segid "A   " and resid 29   and name HE21))
   (  segid "A   " and resid 36   and name HG1%)
      4.000     2.000     2.000 {peak   270 spectrum    1 weight  0.10000E+01 volume  0.23025E-03 ppm1      6.677 ppm2      1.015 CV     1}
 ASSI {  271}
   (( segid "A   " and resid 29   and name HE22))
   (( segid "A   " and resid 29   and name HG1 ))
      4.600     2.700     1.400 {peak   271 spectrum    1 weight  0.10000E+01 volume  0.87773E-04 ppm1      7.241 ppm2      2.286 CV     1}
 ASSI {  272}
   (( segid "A   " and resid 29   and name HE22))
   (  segid "A   " and resid 36   and name HG1%)
      3.700     1.700     1.700 {peak   272 spectrum    1 weight  0.10000E+01 volume  0.32822E-03 ppm1      7.236 ppm2      1.022 CV     1}
 ASSI {  274}
   (( segid "A   " and resid 30   and name HN  ))
   (  segid "A   " and resid 39   and name HD1%)
      4.400     2.400     1.600 {peak   274 spectrum    1 weight  0.10000E+01 volume  0.12607E-03 ppm1      9.122 ppm2      0.126 CV     1}
 ASSI {  275}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 30   and name HG11))
      2.300     0.700     0.700 {peak   275 spectrum    1 weight  0.10000E+01 volume  0.60919E-02 ppm1      9.121 ppm2      0.876 CV     1}
 ASSI {  276}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 30   and name HG12))
      2.900     1.000     1.000 {peak   276 spectrum    1 weight  0.10000E+01 volume  0.16261E-02 ppm1      9.121 ppm2      1.385 CV     1}
 ASSI {  277}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 29   and name HB1 ))
      2.400     0.700     0.700 {peak   277 spectrum    1 weight  0.10000E+01 volume  0.46249E-02 ppm1      9.122 ppm2      1.851 CV     1}
 ASSI {  278}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 29   and name HG2 ))
      3.200     1.300     1.300 {peak   278 spectrum    1 weight  0.10000E+01 volume  0.79817E-03 ppm1      9.120 ppm2      2.290 CV     1}
 ASSI {  279}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 30   and name HA  ))
      2.500     0.800     0.800 {peak   279 spectrum    1 weight  0.10000E+01 volume  0.38292E-02 ppm1      9.123 ppm2      4.696 CV     1}
 ASSI {  280}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 29   and name HA  ))
      2.000     0.500     0.500 {peak   280 spectrum    1 weight  0.10000E+01 volume  0.11910E-01 ppm1      9.120 ppm2      5.272 CV     1}
 ASSI {  281}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 29   and name HN  ))
      3.400     1.400     1.400 {peak   281 spectrum    1 weight  0.10000E+01 volume  0.58931E-03 ppm1      9.121 ppm2      8.180 CV     1}
 ASSI {  282}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 31   and name HN  ))
      4.300     2.300     1.700 {peak   282 spectrum    1 weight  0.10000E+01 volume  0.13527E-03 ppm1      9.123 ppm2      8.416 CV     1}
 ASSI {  284}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 32   and name HN  ))
      3.500     1.600     1.600 {peak   284 spectrum    1 weight  0.10000E+01 volume  0.45752E-03 ppm1      8.419 ppm2      7.752 CV     1}
 ASSI {  286}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 31   and name HG1 ))
      3.100     1.200     1.200 {peak   286 spectrum    1 weight  0.10000E+01 volume  0.10940E-02 ppm1      8.419 ppm2      2.360 CV     1}
 OR {  286}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 31   and name HG2 ))
 ASSI {  287}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 30   and name HG12))
      3.300     1.400     1.400 {peak   287 spectrum    1 weight  0.10000E+01 volume  0.67384E-03 ppm1      8.422 ppm2      1.340 CV     1}
 ASSI {  288}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 30   and name HG11))
      2.500     0.800     0.800 {peak   288 spectrum    1 weight  0.10000E+01 volume  0.35806E-02 ppm1      8.421 ppm2      0.864 CV     1}
 ASSI {  289}
   (( segid "A   " and resid 31   and name HE21))
   (( segid "A   " and resid 31   and name HE22))
      2.600     0.900     0.900 {peak   289 spectrum    1 weight  0.10000E+01 volume  0.25860E-02 ppm1      6.636 ppm2      7.349 CV     1}
 ASSI {  292}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 37   and name HN  ))
      3.100     1.200     1.200 {peak   292 spectrum    1 weight  0.10000E+01 volume  0.10095E-02 ppm1      7.758 ppm2      9.004 CV     1}
 ASSI {  293}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 32   and name HA  ))
      2.900     1.100     1.100 {peak   293 spectrum    1 weight  0.10000E+01 volume  0.14596E-02 ppm1      7.758 ppm2      5.092 CV     1}
 ASSI {  294}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 32   and name HB  ))
      2.900     1.100     1.100 {peak   294 spectrum    1 weight  0.10000E+01 volume  0.13676E-02 ppm1      7.759 ppm2      4.755 CV     1}
 ASSI {  295}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 31   and name HA  ))
      2.000     0.500     0.500 {peak   295 spectrum    1 weight  0.10000E+01 volume  0.15640E-01 ppm1      7.758 ppm2      4.497 CV     1}
 ASSI {  296}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 31   and name HG1 ))
      3.000     1.100     1.100 {peak   296 spectrum    1 weight  0.10000E+01 volume  0.13377E-02 ppm1      7.759 ppm2      2.350 CV     1}
 OR {  296}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 31   and name HG2 ))
 ASSI {  297}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 31   and name HB1 ))
      2.600     2.600     3.400 {peak   297 spectrum    1 weight  0.10000E+01 volume  0.26357E-02 ppm1      7.759 ppm2      2.017 CV     1}
 ASSI {  298}
   (( segid "A   " and resid 32   and name HN  ))
   (  segid "A   " and resid 32   and name HG2%)
      2.400     0.700     0.700 {peak   298 spectrum    1 weight  0.10000E+01 volume  0.44260E-02 ppm1      7.759 ppm2      1.282 CV     1}
 ASSI {  299}
   (( segid "A   " and resid 32   and name HN  ))
   (  segid "A   " and resid 36   and name HG2%)
      3.200     1.300     1.300 {peak   299 spectrum    1 weight  0.10000E+01 volume  0.87525E-03 ppm1      7.758 ppm2      0.927 CV     1}
 ASSI {  300}
   (( segid "A   " and resid 32   and name HN  ))
   (  segid "A   " and resid 30   and name HD1%)
      3.600     1.600     1.600 {peak   300 spectrum    1 weight  0.10000E+01 volume  0.41773E-03 ppm1      7.759 ppm2      0.716 CV     1}
 ASSI {  301}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 35   and name HN  ))
      2.800     1.000     1.000 {peak   301 spectrum    1 weight  0.10000E+01 volume  0.19842E-02 ppm1      7.965 ppm2      7.458 CV     1}
 ASSI {  302}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 32   and name HA  ))
      3.000     1.100     1.100 {peak   302 spectrum    1 weight  0.10000E+01 volume  0.12134E-02 ppm1      7.961 ppm2      5.056 CV     1}
 ASSI {  303}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 32   and name HB  ))
      3.600     1.700     1.700 {peak   303 spectrum    1 weight  0.10000E+01 volume  0.38043E-03 ppm1      7.960 ppm2      4.716 CV     1}
 ASSI {  305}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 34   and name HB1 ))
      3.400     1.400     1.400 {peak   305 spectrum    1 weight  0.10000E+01 volume  0.60671E-03 ppm1      7.969 ppm2      2.985 CV     1}
 ASSI {  306}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 34   and name HB2 ))
      2.900     1.100     1.100 {peak   306 spectrum    1 weight  0.10000E+01 volume  0.14247E-02 ppm1      7.966 ppm2      2.460 CV     1}
 ASSI {  307}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 33   and name HG1 ))
      3.400     1.400     1.400 {peak   307 spectrum    1 weight  0.10000E+01 volume  0.61914E-03 ppm1      7.969 ppm2      1.529 CV     1}
 ASSI {  308}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 33   and name HB1 ))
      3.100     1.200     1.200 {peak   308 spectrum    1 weight  0.10000E+01 volume  0.10245E-02 ppm1      7.969 ppm2      1.896 CV     1}
 ASSI {  310}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 31   and name HA  ))
      2.300     2.300     3.700 {peak   310 spectrum    1 weight  0.10000E+01 volume  0.53460E-02 ppm1      7.455 ppm2      4.491 CV     1}
 ASSI {  313}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 32   and name HA  ))
      3.000     3.000     3.000 {peak   313 spectrum    1 weight  0.10000E+01 volume  0.11413E-02 ppm1      7.455 ppm2      5.056 CV     1}
 ASSI {  315}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 33   and name HB1 ))
      3.800     1.800     1.800 {peak   315 spectrum    1 weight  0.10000E+01 volume  0.31578E-03 ppm1      7.452 ppm2      1.892 CV     1}
 ASSI {  316}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 34   and name HB2 ))
      3.800     1.800     1.800 {peak   316 spectrum    1 weight  0.10000E+01 volume  0.29838E-03 ppm1      7.457 ppm2      2.435 CV     1}
 ASSI {  317}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 34   and name HB1 ))
      4.000     2.000     2.000 {peak   317 spectrum    1 weight  0.10000E+01 volume  0.20191E-03 ppm1      7.457 ppm2      2.974 CV     1}
 ASSI {  318}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 32   and name HN  ))
      3.300     1.400     1.400 {peak   318 spectrum    1 weight  0.10000E+01 volume  0.65644E-03 ppm1      7.454 ppm2      7.760 CV     1}
 ASSI {  320}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 36   and name HN  ))
      4.100     2.100     1.900 {peak   320 spectrum    1 weight  0.10000E+01 volume  0.18052E-03 ppm1      7.454 ppm2      8.420 CV     1}
 ASSI {  321}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 29   and name HA  ))
      3.800     1.800     1.800 {peak   321 spectrum    1 weight  0.10000E+01 volume  0.31330E-03 ppm1      8.997 ppm2      5.334 CV     1}
 ASSI {  323}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 37   and name HB1 ))
      3.000     1.200     1.200 {peak   323 spectrum    1 weight  0.10000E+01 volume  0.11239E-02 ppm1      9.000 ppm2      2.040 CV     1}
 ASSI {  324}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 37   and name HB2 ))
      2.700     2.700     3.300 {peak   324 spectrum    1 weight  0.10000E+01 volume  0.24119E-02 ppm1      9.000 ppm2      1.755 CV     1}
 ASSI {  325}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 30   and name HG11))
      2.400     0.700     0.700 {peak   325 spectrum    1 weight  0.10000E+01 volume  0.42271E-02 ppm1      9.000 ppm2      0.899 CV     1}
 ASSI {  326}
   (( segid "A   " and resid 37   and name HN  ))
   (  segid "A   " and resid 32   and name HG2%)
      3.900     1.900     1.900 {peak   326 spectrum    1 weight  0.10000E+01 volume  0.26854E-03 ppm1      9.000 ppm2      1.337 CV     1}
 ASSI {  327}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 35   and name HA1 ))
      2.400     2.400     3.600 {peak   327 spectrum    1 weight  0.10000E+01 volume  0.43265E-02 ppm1      8.999 ppm2      4.601 CV     1}
 ASSI {  328}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 30   and name HA  ))
      2.400     2.400     3.600 {peak   328 spectrum    1 weight  0.10000E+01 volume  0.51470E-02 ppm1      8.999 ppm2      4.734 CV     1}
 ASSI {  331}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 37   and name HD2 ))
      3.600     1.600     1.600 {peak   331 spectrum    1 weight  0.10000E+01 volume  0.41276E-03 ppm1      8.622 ppm2      3.457 CV     1}
 ASSI {  332}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 37   and name HD1 ))
      5.400     3.600     0.600 {peak   332 spectrum    1 weight  0.10000E+01 volume  0.36303E-04 ppm1      8.623 ppm2      3.223 CV     1}
 ASSI {  333}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 57   and name HA1 ))
      3.000     1.100     1.100 {peak   333 spectrum    1 weight  0.10000E+01 volume  0.13079E-02 ppm1      8.623 ppm2      3.916 CV     1}
 ASSI {  334}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 37   and name HN  ))
      4.500     2.500     1.500 {peak   334 spectrum    1 weight  0.10000E+01 volume  0.10543E-03 ppm1      8.621 ppm2      9.006 CV     1}
 ASSI {  336}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 37   and name HB1 ))
      2.700     0.900     0.900 {peak   336 spectrum    1 weight  0.10000E+01 volume  0.22627E-02 ppm1      8.623 ppm2      2.055 CV     1}
 ASSI {  337}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 37   and name HB2 ))
      2.900     1.100     1.100 {peak   337 spectrum    1 weight  0.10000E+01 volume  0.14148E-02 ppm1      8.623 ppm2      1.751 CV     1}
 ASSI {  339}
   (( segid "A   " and resid 38   and name HN  ))
   (  segid "A   " and resid 39   and name HD1%)
      4.700     2.700     1.300 {peak   339 spectrum    1 weight  0.10000E+01 volume  0.84541E-04 ppm1      8.631 ppm2      0.108 CV     1}
 ASSI {  340}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 39   and name HG11))
      4.000     2.000     2.000 {peak   340 spectrum    1 weight  0.10000E+01 volume  0.23149E-03 ppm1      8.627 ppm2      0.802 CV     1}
 ASSI {  342}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 30   and name HA  ))
      3.600     3.600     2.400 {peak   342 spectrum    1 weight  0.10000E+01 volume  0.43017E-03 ppm1      8.793 ppm2      4.649 CV     1}
 ASSI {  345}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 29   and name HG2 ))
      4.500     2.500     1.500 {peak   345 spectrum    1 weight  0.10000E+01 volume  0.10766E-03 ppm1      8.792 ppm2      2.325 CV     1}
 ASSI {  346}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 29   and name HB1 ))
      3.700     3.700     2.300 {peak   346 spectrum    1 weight  0.10000E+01 volume  0.36552E-03 ppm1      8.796 ppm2      1.798 CV     1}
 ASSI {  347}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 39   and name HB  ))
      2.400     2.400     3.600 {peak   347 spectrum    1 weight  0.10000E+01 volume  0.43514E-02 ppm1      8.796 ppm2      1.153 CV     1}
 ASSI {  348}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 39   and name HG11))
      3.300     1.300     1.300 {peak   348 spectrum    1 weight  0.10000E+01 volume  0.73601E-03 ppm1      8.797 ppm2      0.815 CV     1}
 ASSI {  349}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 39   and name HG12))
      3.000     1.100     1.100 {peak   349 spectrum    1 weight  0.10000E+01 volume  0.12084E-02 ppm1      8.796 ppm2      0.468 CV     1}
 ASSI {  350}
   (( segid "A   " and resid 39   and name HN  ))
   (  segid "A   " and resid 39   and name HD1%)
      2.600     2.600     3.400 {peak   350 spectrum    1 weight  0.10000E+01 volume  0.29341E-02 ppm1      8.796 ppm2      0.104 CV     1}
 ASSI {  351}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 57   and name HN  ))
      3.400     1.500     1.500 {peak   351 spectrum    1 weight  0.10000E+01 volume  0.55947E-03 ppm1      8.703 ppm2      9.228 CV     1}
 ASSI {  354}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 56   and name HA  ))
      3.400     1.500     1.500 {peak   354 spectrum    1 weight  0.10000E+01 volume  0.54454E-03 ppm1      8.705 ppm2      5.051 CV     1}
 ASSI {  355}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 40   and name HA  ))
      2.600     0.900     0.900 {peak   355 spectrum    1 weight  0.10000E+01 volume  0.28097E-02 ppm1      8.705 ppm2      4.518 CV     1}
 ASSI {  356}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 40   and name HB1 ))
      3.000     1.100     1.100 {peak   356 spectrum    1 weight  0.10000E+01 volume  0.12830E-02 ppm1      8.705 ppm2      4.050 CV     1}
 ASSI {  357}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 40   and name HB2 ))
      5.200     3.400     0.800 {peak   357 spectrum    1 weight  0.10000E+01 volume  0.43017E-04 ppm1      8.704 ppm2      3.363 CV     1}
 ASSI {  358}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 55   and name HB2 ))
      2.800     1.000     1.000 {peak   358 spectrum    1 weight  0.10000E+01 volume  0.18748E-02 ppm1      8.704 ppm2      1.947 CV     1}
 ASSI {  359}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 55   and name HG  ))
      2.300     2.300     3.700 {peak   359 spectrum    1 weight  0.10000E+01 volume  0.64897E-02 ppm1      8.705 ppm2      1.194 CV     1}
 ASSI {  360}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 39   and name HG12))
      3.400     1.500     1.500 {peak   360 spectrum    1 weight  0.10000E+01 volume  0.56195E-03 ppm1      8.704 ppm2      0.519 CV     1}
 ASSI {  361}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 39   and name HG11))
      2.900     2.900     3.100 {peak   361 spectrum    1 weight  0.10000E+01 volume  0.16485E-02 ppm1      8.707 ppm2      0.772 CV     1}
 ASSI {  362}
   (( segid "A   " and resid 40   and name HN  ))
   (  segid "A   " and resid 39   and name HD1%)
      2.700     0.900     0.900 {peak   362 spectrum    1 weight  0.10000E+01 volume  0.23672E-02 ppm1      8.704 ppm2      0.125 CV     1}
 ASSI {  364}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 40   and name HN  ))
      3.300     1.400     1.400 {peak   364 spectrum    1 weight  0.10000E+01 volume  0.67384E-03 ppm1      8.013 ppm2      8.704 CV     1}
 ASSI {  365}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 28   and name HN  ))
      3.900     1.900     1.900 {peak   365 spectrum    1 weight  0.10000E+01 volume  0.27103E-03 ppm1      8.016 ppm2      9.179 CV     1}
 ASSI {  366}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 42   and name HN  ))
      3.500     1.500     1.500 {peak   366 spectrum    1 weight  0.10000E+01 volume  0.50227E-03 ppm1      8.014 ppm2      9.340 CV     1}
 ASSI {  367}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 41   and name HA  ))
      2.700     0.900     0.900 {peak   367 spectrum    1 weight  0.10000E+01 volume  0.24542E-02 ppm1      8.012 ppm2      5.446 CV     1}
 ASSI {  368}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 24   and name HA  ))
      4.200     2.200     1.800 {peak   368 spectrum    1 weight  0.10000E+01 volume  0.16237E-03 ppm1      8.013 ppm2      4.927 CV     1}
 ASSI {  369}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 40   and name HB2 ))
      2.800     1.000     1.000 {peak   369 spectrum    1 weight  0.10000E+01 volume  0.17455E-02 ppm1      8.013 ppm2      3.357 CV     1}
 ASSI {  370}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 25   and name HB1 ))
      3.100     1.200     1.200 {peak   370 spectrum    1 weight  0.10000E+01 volume  0.94489E-03 ppm1      8.013 ppm2      3.997 CV     1}
 ASSI {  371}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 40   and name HB1 ))
      2.500     0.800     0.800 {peak   371 spectrum    1 weight  0.10000E+01 volume  0.37297E-02 ppm1      8.012 ppm2      4.115 CV     1}
 ASSI {  372}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 41   and name HB1 ))
      2.200     0.600     0.600 {peak   372 spectrum    1 weight  0.10000E+01 volume  0.86282E-02 ppm1      8.013 ppm2      1.898 CV     1}
 ASSI {  373}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 55   and name HG  ))
      2.900     2.900     3.100 {peak   373 spectrum    1 weight  0.10000E+01 volume  0.14521E-02 ppm1      8.010 ppm2      1.229 CV     1}
 ASSI {  374}
   (( segid "A   " and resid 41   and name HN  ))
   (  segid "A   " and resid 55   and name HD1%)
      3.400     1.400     1.400 {peak   374 spectrum    1 weight  0.10000E+01 volume  0.62163E-03 ppm1      8.010 ppm2      0.712 CV     1}
 ASSI {  375}
   (( segid "A   " and resid 41   and name HN  ))
   (  segid "A   " and resid 39   and name HD1%)
      3.900     1.900     1.900 {peak   375 spectrum    1 weight  0.10000E+01 volume  0.23323E-03 ppm1      8.012 ppm2      0.164 CV     1}
 ASSI {  376}
   (( segid "A   " and resid 42   and name HN  ))
   (  segid "A   " and resid 55   and name HD1%)
      2.700     0.900     0.900 {peak   376 spectrum    1 weight  0.10000E+01 volume  0.23722E-02 ppm1      9.345 ppm2      0.646 CV     1}
 ASSI {  377}
   (( segid "A   " and resid 42   and name HN  ))
   (  segid "A   " and resid 42   and name HB% )
      2.300     0.700     0.700 {peak   377 spectrum    1 weight  0.10000E+01 volume  0.62412E-02 ppm1      9.344 ppm2      1.307 CV     1}
 ASSI {  378}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 41   and name HB1 ))
      2.300     2.300     3.700 {peak   378 spectrum    1 weight  0.10000E+01 volume  0.60422E-02 ppm1      9.344 ppm2      1.907 CV     1}
 ASSI {  379}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 53   and name HB2 ))
      4.300     2.300     1.700 {peak   379 spectrum    1 weight  0.10000E+01 volume  0.13651E-03 ppm1      9.346 ppm2      1.016 CV     1}
 ASSI {  380}
   (( segid "A   " and resid 42   and name HN  ))
   (  segid "A   " and resid 54   and name HG2%)
      4.100     2.100     1.900 {peak   380 spectrum    1 weight  0.10000E+01 volume  0.18351E-03 ppm1      9.347 ppm2      0.157 CV     1}
 ASSI {  381}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 54   and name HA  ))
      3.500     1.500     1.500 {peak   381 spectrum    1 weight  0.10000E+01 volume  0.51222E-03 ppm1      9.344 ppm2      4.455 CV     1}
 ASSI {  382}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 43   and name HA  ))
      2.900     2.900     3.100 {peak   382 spectrum    1 weight  0.10000E+01 volume  0.13800E-02 ppm1      9.345 ppm2      4.786 CV     1}
 ASSI {  383}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 53   and name HA  ))
      2.900     2.900     3.100 {peak   383 spectrum    1 weight  0.10000E+01 volume  0.14571E-02 ppm1      9.342 ppm2      5.050 CV     1}
 ASSI {  384}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 41   and name HA  ))
      2.200     0.600     0.600 {peak   384 spectrum    1 weight  0.10000E+01 volume  0.76584E-02 ppm1      9.345 ppm2      5.448 CV     1}
 ASSI {  387}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 55   and name HN  ))
      3.600     1.700     1.700 {peak   387 spectrum    1 weight  0.10000E+01 volume  0.37795E-03 ppm1      9.344 ppm2      8.735 CV     1}
 ASSI {  388}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 23   and name HN  ))
      2.600     0.800     0.800 {peak   388 spectrum    1 weight  0.10000E+01 volume  0.30584E-02 ppm1      8.549 ppm2      7.587 CV     1}
 ASSI {  389}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 42   and name HN  ))
      3.100     1.200     1.200 {peak   389 spectrum    1 weight  0.10000E+01 volume  0.99216E-03 ppm1      8.548 ppm2      9.298 CV     1}
 ASSI {  390}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 44   and name HA  ))
      4.500     2.500     1.500 {peak   390 spectrum    1 weight  0.10000E+01 volume  0.10617E-03 ppm1      8.547 ppm2      5.702 CV     1}
 ASSI {  392}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 43   and name HA  ))
      2.700     0.900     0.900 {peak   392 spectrum    1 weight  0.10000E+01 volume  0.21459E-02 ppm1      8.552 ppm2      4.849 CV     1}
 ASSI {  393}
   (( segid "A   " and resid 43   and name HN  ))
   (  segid "A   " and resid 43   and name HD1%)
      2.300     0.700     0.700 {peak   393 spectrum    1 weight  0.10000E+01 volume  0.54703E-02 ppm1      8.552 ppm2      0.715 CV     1}
 ASSI {  394}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 43   and name HN  ))
      4.200     2.200     1.800 {peak   394 spectrum    1 weight  0.10000E+01 volume  0.15714E-03 ppm1      8.963 ppm2      8.521 CV     1}
 ASSI {  395}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 23   and name HN  ))
      5.700     4.000     0.300 {peak   395 spectrum    1 weight  0.10000E+01 volume  0.26108E-04 ppm1      8.968 ppm2      7.612 CV     1}
 ASSI {  396}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 20   and name HN  ))
      2.500     0.800     0.800 {peak   396 spectrum    1 weight  0.10000E+01 volume  0.32822E-02 ppm1      8.876 ppm2      9.276 CV     1}
 ASSI {  397}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 23   and name HN  ))
      4.500     2.500     1.500 {peak   397 spectrum    1 weight  0.10000E+01 volume  0.10866E-03 ppm1      8.874 ppm2      7.565 CV     1}
 ASSI {  398}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 44   and name HA  ))
      2.300     0.700     0.700 {peak   398 spectrum    1 weight  0.10000E+01 volume  0.54206E-02 ppm1      8.877 ppm2      5.646 CV     1}
 ASSI {  399}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 20   and name HA  ))
      2.600     2.600     3.400 {peak   399 spectrum    1 weight  0.10000E+01 volume  0.29341E-02 ppm1      8.877 ppm2      5.115 CV     1}
 ASSI {  400}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 45   and name HA1 ))
      2.900     1.100     1.100 {peak   400 spectrum    1 weight  0.10000E+01 volume  0.13452E-02 ppm1      8.876 ppm2      4.234 CV     1}
 ASSI {  401}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 21   and name HA  ))
      3.900     1.900     1.900 {peak   401 spectrum    1 weight  0.10000E+01 volume  0.24542E-03 ppm1      8.876 ppm2      4.011 CV     1}
 ASSI {  402}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 20   and name HB1 ))
      4.000     2.000     2.000 {peak   402 spectrum    1 weight  0.10000E+01 volume  0.22553E-03 ppm1      8.876 ppm2      1.687 CV     1}
 ASSI {  403}
   (( segid "A   " and resid 45   and name HN  ))
   (  segid "A   " and resid 107  and name HG2%)
      3.500     1.500     1.500 {peak   403 spectrum    1 weight  0.10000E+01 volume  0.46498E-03 ppm1      8.875 ppm2      1.190 CV     1}
 ASSI {  404}
   (( segid "A   " and resid 45   and name HN  ))
   (  segid "A   " and resid 107  and name HD1%)
      2.200     2.200     3.800 {peak   404 spectrum    1 weight  0.10000E+01 volume  0.68627E-02 ppm1      8.876 ppm2      0.678 CV     1}
 ASSI {  407}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 48   and name HN  ))
      3.600     1.600     1.600 {peak   407 spectrum    1 weight  0.10000E+01 volume  0.42520E-03 ppm1      9.184 ppm2      9.516 CV     1}
 ASSI {  409}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 50   and name HA  ))
      2.800     1.000     1.000 {peak   409 spectrum    1 weight  0.10000E+01 volume  0.19693E-02 ppm1      9.182 ppm2      5.638 CV     1}
 ASSI {  410}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 19   and name HA  ))
      2.800     2.800     3.200 {peak   410 spectrum    1 weight  0.10000E+01 volume  0.20165E-02 ppm1      9.185 ppm2      5.110 CV     1}
 ASSI {  411}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 45   and name HA2 ))
      2.500     0.800     0.800 {peak   411 spectrum    1 weight  0.10000E+01 volume  0.36303E-02 ppm1      9.183 ppm2      5.017 CV     1}
 ASSI {  412}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 46   and name HA  ))
      3.000     1.100     1.100 {peak   412 spectrum    1 weight  0.10000E+01 volume  0.12209E-02 ppm1      9.184 ppm2      4.758 CV     1}
 ASSI {  413}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 49   and name HA2 ))
      2.700     2.700     3.300 {peak   413 spectrum    1 weight  0.10000E+01 volume  0.25363E-02 ppm1      9.185 ppm2      4.283 CV     1}
 ASSI {  414}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 45   and name HA1 ))
      2.700     0.900     0.900 {peak   414 spectrum    1 weight  0.10000E+01 volume  0.23672E-02 ppm1      9.183 ppm2      4.168 CV     1}
 ASSI {  415}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 46   and name HB1 ))
      3.000     1.100     1.100 {peak   415 spectrum    1 weight  0.10000E+01 volume  0.12010E-02 ppm1      9.184 ppm2      3.328 CV     1}
 OR {  415}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 46   and name HB2 ))
 ASSI {  416}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 49   and name HA1 ))
      4.500     2.600     1.500 {peak   416 spectrum    1 weight  0.10000E+01 volume  0.10145E-03 ppm1      9.183 ppm2      3.857 CV     1}
 ASSI {  417}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 5    and name HB  ))
      3.200     1.300     1.300 {peak   417 spectrum    1 weight  0.10000E+01 volume  0.83547E-03 ppm1      9.183 ppm2      1.895 CV     1}
 ASSI {  418}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 107  and name HG11))
      3.900     3.900     2.100 {peak   418 spectrum    1 weight  0.10000E+01 volume  0.25114E-03 ppm1      9.187 ppm2      1.541 CV     1}
 ASSI {  419}
   (( segid "A   " and resid 46   and name HN  ))
   (  segid "A   " and resid 107  and name HG2%)
      2.700     0.900     0.900 {peak   419 spectrum    1 weight  0.10000E+01 volume  0.24020E-02 ppm1      9.185 ppm2      1.156 CV     1}
 ASSI {  421}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 48   and name HN  ))
      2.800     1.000     1.000 {peak   421 spectrum    1 weight  0.10000E+01 volume  0.19742E-02 ppm1     10.022 ppm2      9.525 CV     1}
 ASSI {  422}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 46   and name HN  ))
      3.600     1.600     1.600 {peak   422 spectrum    1 weight  0.10000E+01 volume  0.39784E-03 ppm1     10.021 ppm2      9.188 CV     1}
 ASSI {  424}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 19   and name HA  ))
      5.600     3.900     0.400 {peak   424 spectrum    1 weight  0.10000E+01 volume  0.29092E-04 ppm1     10.025 ppm2      5.150 CV     1}
 ASSI {  425}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 46   and name HA  ))
      2.600     0.900     0.900 {peak   425 spectrum    1 weight  0.10000E+01 volume  0.26854E-02 ppm1     10.023 ppm2      4.772 CV     1}
 ASSI {  426}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 48   and name HB  ))
      3.200     3.200     2.800 {peak   426 spectrum    1 weight  0.10000E+01 volume  0.82304E-03 ppm1     10.024 ppm2      4.436 CV     1}
 ASSI {  427}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 47   and name HA  ))
      3.200     1.300     1.300 {peak   427 spectrum    1 weight  0.10000E+01 volume  0.86779E-03 ppm1     10.022 ppm2      4.319 CV     1}
 ASSI {  428}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 46   and name HB2 ))
      2.100     0.500     0.500 {peak   428 spectrum    1 weight  0.10000E+01 volume  0.11214E-01 ppm1     10.023 ppm2      3.322 CV     1}
 OR {  428}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 46   and name HB1 ))
 ASSI {  429}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 47   and name HB2 ))
      2.800     1.000     1.000 {peak   429 spectrum    1 weight  0.10000E+01 volume  0.18375E-02 ppm1     10.023 ppm2      2.229 CV     1}
 ASSI {  430}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 47   and name HG1 ))
      2.900     1.000     1.000 {peak   430 spectrum    1 weight  0.10000E+01 volume  0.16212E-02 ppm1     10.022 ppm2      2.085 CV     1}
 ASSI {  431}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 47   and name HB1 ))
      2.800     1.000     1.000 {peak   431 spectrum    1 weight  0.10000E+01 volume  0.16834E-02 ppm1     10.023 ppm2      1.893 CV     1}
 ASSI {  432}
   (( segid "A   " and resid 47   and name HN  ))
   (  segid "A   " and resid 107  and name HG2%)
      3.200     1.300     1.300 {peak   432 spectrum    1 weight  0.10000E+01 volume  0.77579E-03 ppm1     10.022 ppm2      1.154 CV     1}
 ASSI {  433}
   (( segid "A   " and resid 47   and name HN  ))
   (  segid "A   " and resid 107  and name HD1%)
      3.200     1.300     1.300 {peak   433 spectrum    1 weight  0.10000E+01 volume  0.80066E-03 ppm1     10.027 ppm2      0.655 CV     1}
 ASSI {  435}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 5    and name HN  ))
      3.900     1.900     1.900 {peak   435 spectrum    1 weight  0.10000E+01 volume  0.24467E-03 ppm1      9.515 ppm2      9.787 CV     1}
 ASSI {  437}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 49   and name HN  ))
      2.100     0.600     0.600 {peak   437 spectrum    1 weight  0.10000E+01 volume  0.89763E-02 ppm1      9.522 ppm2      7.740 CV     1}
 ASSI {  438}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 47   and name HA  ))
      4.900     3.000     1.100 {peak   438 spectrum    1 weight  0.10000E+01 volume  0.65395E-04 ppm1      9.524 ppm2      4.336 CV     1}
 ASSI {  439}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 4    and name HA  ))
      4.400     2.400     1.600 {peak   439 spectrum    1 weight  0.10000E+01 volume  0.11811E-03 ppm1      9.525 ppm2      4.661 CV     1}
 ASSI {  440}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 49   and name HA1 ))
      5.300     3.600     0.700 {peak   440 spectrum    1 weight  0.10000E+01 volume  0.38043E-04 ppm1      9.521 ppm2      3.829 CV     1}
 ASSI {  441}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 46   and name HB2 ))
      4.200     2.200     1.800 {peak   441 spectrum    1 weight  0.10000E+01 volume  0.17281E-03 ppm1      9.525 ppm2      3.328 CV     1}
 OR {  441}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 46   and name HB1 ))
 ASSI {  442}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 47   and name HB2 ))
      3.400     1.500     1.500 {peak   442 spectrum    1 weight  0.10000E+01 volume  0.55947E-03 ppm1      9.522 ppm2      2.251 CV     1}
 ASSI {  443}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 5    and name HB  ))
      3.400     1.400     1.400 {peak   443 spectrum    1 weight  0.10000E+01 volume  0.56692E-03 ppm1      9.522 ppm2      1.861 CV     1}
 ASSI {  444}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 4    and name HG2 ))
      4.200     2.200     1.800 {peak   444 spectrum    1 weight  0.10000E+01 volume  0.16684E-03 ppm1      9.523 ppm2      1.546 CV     1}
 OR {  444}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 4    and name HG1 ))
 ASSI {  445}
   (( segid "A   " and resid 48   and name HN  ))
   (  segid "A   " and resid 107  and name HG2%)
      2.500     2.500     3.500 {peak   445 spectrum    1 weight  0.10000E+01 volume  0.37049E-02 ppm1      9.523 ppm2      1.157 CV     1}
 ASSI {  446}
   (( segid "A   " and resid 48   and name HN  ))
   (  segid "A   " and resid 107  and name HD1%)
      4.400     2.400     1.600 {peak   446 spectrum    1 weight  0.10000E+01 volume  0.11936E-03 ppm1      9.524 ppm2      0.674 CV     1}
 ASSI {  447}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 50   and name HN  ))
      3.100     1.200     1.200 {peak   447 spectrum    1 weight  0.10000E+01 volume  0.93990E-03 ppm1      7.703 ppm2      8.496 CV     1}
 ASSI {  448}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 46   and name HN  ))
      2.700     0.900     0.900 {peak   448 spectrum    1 weight  0.10000E+01 volume  0.21459E-02 ppm1      7.703 ppm2      9.179 CV     1}
 ASSI {  450}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 50   and name HA  ))
      4.100     2.100     1.900 {peak   450 spectrum    1 weight  0.10000E+01 volume  0.18102E-03 ppm1      7.697 ppm2      5.660 CV     1}
 ASSI {  451}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 48   and name HA  ))
      3.200     1.300     1.300 {peak   451 spectrum    1 weight  0.10000E+01 volume  0.79320E-03 ppm1      7.701 ppm2      4.594 CV     1}
 ASSI {  452}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 47   and name HA  ))
      2.500     2.500     3.500 {peak   452 spectrum    1 weight  0.10000E+01 volume  0.33319E-02 ppm1      7.704 ppm2      4.342 CV     1}
 ASSI {  453}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 49   and name HA1 ))
      2.400     0.700     0.700 {peak   453 spectrum    1 weight  0.10000E+01 volume  0.41027E-02 ppm1      7.704 ppm2      3.905 CV     1}
 ASSI {  454}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 47   and name HB2 ))
      4.100     2.100     1.900 {peak   454 spectrum    1 weight  0.10000E+01 volume  0.17754E-03 ppm1      7.703 ppm2      2.286 CV     1}
 ASSI {  455}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 5    and name HB  ))
      2.900     1.000     1.000 {peak   455 spectrum    1 weight  0.10000E+01 volume  0.15914E-02 ppm1      7.704 ppm2      1.847 CV     1}
 ASSI {  456}
   (( segid "A   " and resid 49   and name HN  ))
   (  segid "A   " and resid 107  and name HG2%)
      2.700     0.900     0.900 {peak   456 spectrum    1 weight  0.10000E+01 volume  0.21111E-02 ppm1      7.704 ppm2      1.151 CV     1}
 ASSI {  457}
   (( segid "A   " and resid 49   and name HN  ))
   (  segid "A   " and resid 107  and name HD1%)
      3.300     3.300     2.700 {peak   457 spectrum    1 weight  0.10000E+01 volume  0.66638E-03 ppm1      7.704 ppm2      0.657 CV     1}
 ASSI {  458}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 47   and name HN  ))
      3.900     2.000     2.000 {peak   458 spectrum    1 weight  0.10000E+01 volume  0.23273E-03 ppm1      7.702 ppm2     10.010 CV     1}
 ASSI {  459}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 5    and name HN  ))
      4.000     2.000     2.000 {peak   459 spectrum    1 weight  0.10000E+01 volume  0.20315E-03 ppm1      7.704 ppm2      9.784 CV     1}
 ASSI {  460}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 50   and name HA  ))
      2.400     0.700     0.700 {peak   460 spectrum    1 weight  0.10000E+01 volume  0.43265E-02 ppm1      8.495 ppm2      5.629 CV     1}
 ASSI {  461}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 49   and name HA2 ))
      2.400     0.700     0.700 {peak   461 spectrum    1 weight  0.10000E+01 volume  0.45005E-02 ppm1      8.495 ppm2      4.225 CV     1}
 ASSI {  462}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 109  and name HA  ))
      3.000     1.200     1.200 {peak   462 spectrum    1 weight  0.10000E+01 volume  0.11289E-02 ppm1      8.495 ppm2      3.946 CV     1}
 ASSI {  463}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 49   and name HA1 ))
      2.600     0.800     0.800 {peak   463 spectrum    1 weight  0.10000E+01 volume  0.28595E-02 ppm1      8.494 ppm2      3.831 CV     1}
 ASSI {  464}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 112  and name HD2 ))
      5.400     3.600     0.600 {peak   464 spectrum    1 weight  0.10000E+01 volume  0.36303E-04 ppm1      8.491 ppm2      3.565 CV     1}
 ASSI {  465}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 50   and name HD2 ))
      4.600     2.600     1.400 {peak   465 spectrum    1 weight  0.10000E+01 volume  0.99216E-04 ppm1      8.497 ppm2      2.780 CV     1}
 ASSI {  466}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 112  and name HG2 ))
      5.200     3.400     0.800 {peak   466 spectrum    1 weight  0.10000E+01 volume  0.42768E-04 ppm1      8.493 ppm2      1.954 CV     1}
 ASSI {  467}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 50   and name HG1 ))
      2.300     2.300     3.700 {peak   467 spectrum    1 weight  0.10000E+01 volume  0.59428E-02 ppm1      8.495 ppm2      1.539 CV     1}
 OR {  467}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 50   and name HG2 ))
 ASSI {  468}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 50   and name HD1 ))
      4.800     2.800     1.200 {peak   468 spectrum    1 weight  0.10000E+01 volume  0.75092E-04 ppm1      8.490 ppm2      3.245 CV     1}
 ASSI {  471}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 6    and name HN  ))
      6.000     4.700     0.000 {peak   471 spectrum    1 weight  0.10000E+01 volume  0.16386E-04 ppm1      8.499 ppm2      9.506 CV     1}
 ASSI {  472}
   (( segid "A   " and resid 50   and name HN  ))
   (  segid "A   " and resid 107  and name HG2%)
      3.500     1.600     1.600 {peak   472 spectrum    1 weight  0.10000E+01 volume  0.46249E-03 ppm1      8.492 ppm2      1.223 CV     1}
 ASSI {  473}
   (( segid "A   " and resid 50   and name HN  ))
   (  segid "A   " and resid 5    and name HG2%)
      3.900     1.900     1.900 {peak   473 spectrum    1 weight  0.10000E+01 volume  0.26606E-03 ppm1      8.497 ppm2      0.811 CV     1}
 ASSI {  474}
   (( segid "A   " and resid 50   and name HN  ))
   (  segid "A   " and resid 51   and name HG1%)
      3.000     3.000     3.000 {peak   474 spectrum    1 weight  0.10000E+01 volume  0.11936E-02 ppm1      8.495 ppm2      0.589 CV     1}
 ASSI {  475}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 71   and name HG12))
      3.600     1.700     1.700 {peak   475 spectrum    1 weight  0.10000E+01 volume  0.37546E-03 ppm1      8.645 ppm2      1.425 CV     1}
 ASSI {  476}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 112  and name HA  ))
      4.400     2.500     1.600 {peak   476 spectrum    1 weight  0.10000E+01 volume  0.11537E-03 ppm1      8.493 ppm2      4.597 CV     1}
 ASSI {  477}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 33   and name HA  ))
      4.700     2.700     1.300 {peak   477 spectrum    1 weight  0.10000E+01 volume  0.86033E-04 ppm1      7.455 ppm2      4.196 CV     1}
 ASSI {  478}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 39   and name HA  ))
      2.900     1.000     1.000 {peak   478 spectrum    1 weight  0.10000E+01 volume  0.16287E-02 ppm1      8.796 ppm2      5.378 CV     1}
 ASSI {  480}
   (( segid "A   " and resid 50   and name HE  ))
   (( segid "A   " and resid 108  and name HA  ))
      2.800     2.800     3.200 {peak   480 spectrum    1 weight  0.10000E+01 volume  0.17455E-02 ppm1      6.444 ppm2      4.479 CV     1}
 ASSI {  481}
   (( segid "A   " and resid 50   and name HE  ))
   (( segid "A   " and resid 50   and name HD1 ))
      4.500     2.600     1.500 {peak   481 spectrum    1 weight  0.10000E+01 volume  0.10319E-03 ppm1      6.446 ppm2      3.249 CV     1}
 ASSI {  483}
   (( segid "A   " and resid 50   and name HE  ))
   (( segid "A   " and resid 50   and name HG2 ))
      3.200     1.300     1.300 {peak   483 spectrum    1 weight  0.10000E+01 volume  0.84790E-03 ppm1      6.443 ppm2      1.552 CV     1}
 OR {  483}
   (( segid "A   " and resid 50   and name HE  ))
   (( segid "A   " and resid 50   and name HG1 ))
 ASSI {  485}
   (( segid "A   " and resid 50   and name HE  ))
   (  segid "A   " and resid 22   and name HD2%)
      5.900     4.400     0.100 {peak   485 spectrum    1 weight  0.10000E+01 volume  0.20862E-04 ppm1      6.444 ppm2      0.808 CV     1}
 ASSI {  486}
   (( segid "A   " and resid 50   and name HE  ))
   (( segid "A   " and resid 52   and name HE2 ))
      6.000     5.500     0.000 {peak   486 spectrum    1 weight  0.10000E+01 volume  0.10393E-04 ppm1      6.442 ppm2      2.823 CV     1}
 OR {  486}
   (( segid "A   " and resid 50   and name HE  ))
   (( segid "A   " and resid 52   and name HE1 ))
 ASSI {  487}
   (( segid "A   " and resid 50   and name HE  ))
   (( segid "A   " and resid 50   and name HA  ))
      5.300     3.500     0.700 {peak   487 spectrum    1 weight  0.10000E+01 volume  0.40033E-04 ppm1      6.444 ppm2      5.603 CV     1}
 ASSI {  488}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 50   and name HA  ))
      2.200     0.600     0.600 {peak   488 spectrum    1 weight  0.10000E+01 volume  0.77579E-02 ppm1      9.165 ppm2      5.633 CV     1}
 ASSI {  489}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 45   and name HA2 ))
      6.000     6.000     0.000 {peak   489 spectrum    1 weight  0.10000E+01 volume  0.69125E-05 ppm1      9.167 ppm2      5.016 CV     1}
 ASSI {  490}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 52   and name HA  ))
      3.100     3.100     2.900 {peak   490 spectrum    1 weight  0.10000E+01 volume  0.10543E-02 ppm1      9.165 ppm2      4.703 CV     1}
 ASSI {  491}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 51   and name HA  ))
      2.700     0.900     0.900 {peak   491 spectrum    1 weight  0.10000E+01 volume  0.21956E-02 ppm1      9.164 ppm2      4.579 CV     1}
 ASSI {  492}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 103  and name HA  ))
      3.500     1.500     1.500 {peak   492 spectrum    1 weight  0.10000E+01 volume  0.51968E-03 ppm1      9.166 ppm2      4.277 CV     1}
 ASSI {  493}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 45   and name HA1 ))
      3.700     1.700     1.700 {peak   493 spectrum    1 weight  0.10000E+01 volume  0.34065E-03 ppm1      9.167 ppm2      4.181 CV     1}
 ASSI {  494}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 51   and name HB  ))
      3.000     1.100     1.100 {peak   494 spectrum    1 weight  0.10000E+01 volume  0.13353E-02 ppm1      9.165 ppm2      1.931 CV     1}
 ASSI {  495}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 50   and name HG1 ))
      2.400     0.700     0.700 {peak   495 spectrum    1 weight  0.10000E+01 volume  0.45752E-02 ppm1      9.165 ppm2      1.532 CV     1}
 ASSI {  496}
   (( segid "A   " and resid 51   and name HN  ))
   (  segid "A   " and resid 44   and name HG1%)
      2.100     2.100     3.900 {peak   496 spectrum    1 weight  0.10000E+01 volume  0.10269E-01 ppm1      9.165 ppm2      0.624 CV     1}
 ASSI {  497}
   (( segid "A   " and resid 51   and name HN  ))
   (  segid "A   " and resid 51   and name HG2%)
      2.800     1.000     1.000 {peak   497 spectrum    1 weight  0.10000E+01 volume  0.18898E-02 ppm1      9.165 ppm2      1.064 CV     1}
 ASSI {  498}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 50   and name HN  ))
      3.000     1.100     1.100 {peak   498 spectrum    1 weight  0.10000E+01 volume  0.11413E-02 ppm1      9.165 ppm2      8.454 CV     1}
 ASSI {  499}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 44   and name HN  ))
      3.000     1.100     1.100 {peak   499 spectrum    1 weight  0.10000E+01 volume  0.12830E-02 ppm1      9.164 ppm2      8.943 CV     1}
 ASSI {  500}
   (( segid "A   " and resid 52   and name HN  ))
   (  segid "A   " and resid 51   and name HG2%)
      2.300     0.700     0.700 {peak   500 spectrum    1 weight  0.10000E+01 volume  0.57190E-02 ppm1      8.414 ppm2      1.057 CV     1}
 ASSI {  501}
   (( segid "A   " and resid 52   and name HN  ))
   (  segid "A   " and resid 111  and name HG2%)
      3.100     1.200     1.200 {peak   501 spectrum    1 weight  0.10000E+01 volume  0.93745E-03 ppm1      8.411 ppm2      1.385 CV     1}
 ASSI {  502}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 52   and name HB1 ))
      2.100     2.100     3.900 {peak   502 spectrum    1 weight  0.10000E+01 volume  0.11363E-01 ppm1      8.414 ppm2      1.826 CV     1}
 ASSI {  503}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 51   and name HN  ))
      3.100     1.200     1.200 {peak   503 spectrum    1 weight  0.10000E+01 volume  0.97719E-03 ppm1      8.414 ppm2      9.164 CV     1}
 ASSI {  504}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 85   and name HN  ))
      3.700     1.700     1.700 {peak   504 spectrum    1 weight  0.10000E+01 volume  0.33071E-03 ppm1      8.408 ppm2      8.936 CV     1}
 ASSI {  505}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 52   and name HN  ))
      2.800     2.800     3.200 {peak   505 spectrum    1 weight  0.10000E+01 volume  0.17804E-02 ppm1      9.157 ppm2      8.403 CV     1}
 ASSI {  506}
   (( segid "A   " and resid 92   and name HN  ))
   (( segid "A   " and resid 92   and name HA  ))
      1.900     1.900     4.100 {peak   506 spectrum    1 weight  0.10000E+01 volume  0.18325E-01 ppm1      9.159 ppm2      4.860 CV     1}
 ASSI {  509}
   (( segid "A   " and resid 92   and name HN  ))
   (( segid "A   " and resid 73   and name HB1 ))
      3.000     3.000     3.000 {peak   509 spectrum    1 weight  0.10000E+01 volume  0.11587E-02 ppm1      9.160 ppm2      2.871 CV     1}
 ASSI {  510}
   (( segid "A   " and resid 92   and name HN  ))
   (( segid "A   " and resid 92   and name HB2 ))
      2.100     0.500     0.500 {peak   510 spectrum    1 weight  0.10000E+01 volume  0.11115E-01 ppm1      9.160 ppm2      1.841 CV     1}
 ASSI {  511}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 43   and name HG11))
      2.300     2.300     3.700 {peak   511 spectrum    1 weight  0.10000E+01 volume  0.66887E-02 ppm1      9.156 ppm2      1.496 CV     1}
 ASSI {  512}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 85   and name HB2 ))
      2.100     2.100     3.900 {peak   512 spectrum    1 weight  0.10000E+01 volume  0.91005E-02 ppm1      9.159 ppm2      1.128 CV     1}
 ASSI {  513}
   (( segid "A   " and resid 53   and name HN  ))
   (  segid "A   " and resid 44   and name HG1%)
      3.400     1.500     1.500 {peak   513 spectrum    1 weight  0.10000E+01 volume  0.54951E-03 ppm1      9.158 ppm2      0.665 CV     1}
 ASSI {  514}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 86   and name HB2 ))
      2.500     2.500     3.500 {peak   514 spectrum    1 weight  0.10000E+01 volume  0.40281E-02 ppm1      8.727 ppm2      0.493 CV     1}
 ASSI {  516}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 85   and name HB2 ))
      2.700     2.700     3.300 {peak   516 spectrum    1 weight  0.10000E+01 volume  0.20563E-02 ppm1      8.726 ppm2      1.092 CV     1}
 ASSI {  517}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 53   and name HB1 ))
      2.700     2.700     3.300 {peak   517 spectrum    1 weight  0.10000E+01 volume  0.20862E-02 ppm1      8.729 ppm2      1.583 CV     1}
 ASSI {  518}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 84   and name HG2 ))
      3.300     1.400     1.400 {peak   518 spectrum    1 weight  0.10000E+01 volume  0.67136E-03 ppm1      8.725 ppm2      2.088 CV     1}
 OR {  518}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 84   and name HG1 ))
 ASSI {  520}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 54   and name HA  ))
      3.100     1.200     1.200 {peak   520 spectrum    1 weight  0.10000E+01 volume  0.10543E-02 ppm1      8.728 ppm2      4.506 CV     1}
 ASSI {  521}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 53   and name HA  ))
      2.200     0.600     0.600 {peak   521 spectrum    1 weight  0.10000E+01 volume  0.81060E-02 ppm1      8.727 ppm2      5.091 CV     1}
 ASSI {  523}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 86   and name HD22))
      4.800     2.800     1.200 {peak   523 spectrum    1 weight  0.10000E+01 volume  0.74843E-04 ppm1      8.726 ppm2      6.789 CV     1}
 ASSI {  524}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 87   and name HN  ))
      3.800     1.800     1.800 {peak   524 spectrum    1 weight  0.10000E+01 volume  0.30832E-03 ppm1      8.725 ppm2      8.425 CV     1}
 ASSI {  525}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 53   and name HN  ))
      3.800     1.800     1.800 {peak   525 spectrum    1 weight  0.10000E+01 volume  0.27849E-03 ppm1      8.727 ppm2      9.140 CV     1}
 ASSI {  527}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 41   and name HA  ))
      2.800     1.000     1.000 {peak   527 spectrum    1 weight  0.10000E+01 volume  0.17355E-02 ppm1      8.749 ppm2      5.383 CV     1}
 ASSI {  528}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 40   and name HA  ))
      2.200     2.200     3.800 {peak   528 spectrum    1 weight  0.10000E+01 volume  0.80066E-02 ppm1      8.749 ppm2      4.525 CV     1}
 ASSI {  529}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 60   and name HA  ))
      3.800     1.800     1.800 {peak   529 spectrum    1 weight  0.10000E+01 volume  0.28595E-03 ppm1      8.750 ppm2      3.904 CV     1}
 ASSI {  530}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 55   and name HB2 ))
      2.600     0.800     0.800 {peak   530 spectrum    1 weight  0.10000E+01 volume  0.31081E-02 ppm1      8.749 ppm2      1.962 CV     1}
 ASSI {  531}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 59   and name HB2 ))
      5.900     4.400     0.100 {peak   531 spectrum    1 weight  0.10000E+01 volume  0.20066E-04 ppm1      8.746 ppm2      2.796 CV     1}
 ASSI {  532}
   (( segid "A   " and resid 55   and name HN  ))
   (  segid "A   " and resid 60   and name HB% )
      2.600     2.600     3.400 {peak   532 spectrum    1 weight  0.10000E+01 volume  0.30087E-02 ppm1      8.749 ppm2      1.147 CV     1}
 ASSI {  533}
   (( segid "A   " and resid 55   and name HN  ))
   (  segid "A   " and resid 54   and name HG2%)
      2.500     0.800     0.800 {peak   533 spectrum    1 weight  0.10000E+01 volume  0.33816E-02 ppm1      8.749 ppm2      0.194 CV     1}
 ASSI {  534}
   (( segid "A   " and resid 55   and name HN  ))
   (  segid "A   " and resid 55   and name HD1%)
      2.800     1.000     1.000 {peak   534 spectrum    1 weight  0.10000E+01 volume  0.19569E-02 ppm1      8.749 ppm2      0.680 CV     1}
 ASSI {  535}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 57   and name HN  ))
      4.000     2.000     2.000 {peak   535 spectrum    1 weight  0.10000E+01 volume  0.20389E-03 ppm1      8.593 ppm2      9.300 CV     1}
 ASSI {  536}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 56   and name HE1 ))
      4.800     2.900     1.200 {peak   536 spectrum    1 weight  0.10000E+01 volume  0.72855E-04 ppm1      8.592 ppm2     10.105 CV     1}
 ASSI {  537}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 56   and name HD1 ))
      3.100     1.200     1.200 {peak   537 spectrum    1 weight  0.10000E+01 volume  0.93246E-03 ppm1      8.594 ppm2      7.000 CV     1}
 ASSI {  538}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 59   and name HD2 ))
      3.100     1.200     1.200 {peak   538 spectrum    1 weight  0.10000E+01 volume  0.10692E-02 ppm1      8.593 ppm2      6.812 CV     1}
 ASSI {  539}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 86   and name HA  ))
      3.700     3.700     2.300 {peak   539 spectrum    1 weight  0.10000E+01 volume  0.33319E-03 ppm1      8.597 ppm2      5.328 CV     1}
 ASSI {  541}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 55   and name HA  ))
      2.200     0.600     0.600 {peak   541 spectrum    1 weight  0.10000E+01 volume  0.74843E-02 ppm1      8.592 ppm2      4.567 CV     1}
 ASSI {  542}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 56   and name HB2 ))
      2.300     0.700     0.700 {peak   542 spectrum    1 weight  0.10000E+01 volume  0.58682E-02 ppm1      8.594 ppm2      3.479 CV     1}
 ASSI {  543}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 58   and name HE1 ))
      3.500     1.600     1.600 {peak   543 spectrum    1 weight  0.10000E+01 volume  0.44757E-03 ppm1      8.597 ppm2      2.886 CV     1}
 OR {  543}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 58   and name HE2 ))
 ASSI {  544}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 55   and name HB1 ))
      2.600     0.900     0.900 {peak   544 spectrum    1 weight  0.10000E+01 volume  0.26108E-02 ppm1      8.595 ppm2      1.009 CV     1}
 ASSI {  545}
   (( segid "A   " and resid 56   and name HN  ))
   (  segid "A   " and resid 55   and name HD2%)
      3.100     1.200     1.200 {peak   545 spectrum    1 weight  0.10000E+01 volume  0.10095E-02 ppm1      8.594 ppm2      0.637 CV     1}
 ASSI {  546}
   (( segid "A   " and resid 56   and name HN  ))
   (  segid "A   " and resid 54   and name HG2%)
      4.600     2.600     1.400 {peak   546 spectrum    1 weight  0.10000E+01 volume  0.96975E-04 ppm1      8.593 ppm2      0.168 CV     1}
 ASSI {  547}
   (( segid "A   " and resid 56   and name HE1 ))
   (( segid "A   " and resid 87   and name HN  ))
      3.400     1.400     1.400 {peak   547 spectrum    1 weight  0.10000E+01 volume  0.58432E-03 ppm1     10.106 ppm2      8.452 CV     1}
 ASSI {  549}
   (( segid "A   " and resid 56   and name HE1 ))
   (( segid "A   " and resid 54   and name HN  ))
      3.600     1.700     1.700 {peak   549 spectrum    1 weight  0.10000E+01 volume  0.37795E-03 ppm1     10.105 ppm2      8.707 CV     1}
 ASSI {  550}
   (( segid "A   " and resid 56   and name HE1 ))
   (( segid "A   " and resid 56   and name HZ2 ))
      2.900     1.000     1.000 {peak   550 spectrum    1 weight  0.10000E+01 volume  0.15988E-02 ppm1     10.106 ppm2      7.266 CV     1}
 ASSI {  552}
   (( segid "A   " and resid 56   and name HE1 ))
   (( segid "A   " and resid 56   and name HH2 ))
      2.700     2.700     3.300 {peak   552 spectrum    1 weight  0.10000E+01 volume  0.24492E-02 ppm1     10.104 ppm2      6.822 CV     1}
 ASSI {  553}
   (( segid "A   " and resid 56   and name HE1 ))
   (( segid "A   " and resid 86   and name HD21))
      4.800     2.900     1.200 {peak   553 spectrum    1 weight  0.10000E+01 volume  0.71611E-04 ppm1     10.104 ppm2      5.696 CV     1}
 ASSI {  554}
   (( segid "A   " and resid 56   and name HE1 ))
   (( segid "A   " and resid 86   and name HA  ))
      3.400     1.400     1.400 {peak   554 spectrum    1 weight  0.10000E+01 volume  0.61416E-03 ppm1     10.105 ppm2      5.352 CV     1}
 ASSI {  555}
   (( segid "A   " and resid 56   and name HE1 ))
   (( segid "A   " and resid 54   and name HA  ))
      3.800     1.800     1.800 {peak   555 spectrum    1 weight  0.10000E+01 volume  0.31330E-03 ppm1     10.106 ppm2      4.509 CV     1}
 ASSI {  556}
   (( segid "A   " and resid 56   and name HE1 ))
   (( segid "A   " and resid 56   and name HB2 ))
      3.800     1.800     1.800 {peak   556 spectrum    1 weight  0.10000E+01 volume  0.30335E-03 ppm1     10.102 ppm2      3.460 CV     1}
 ASSI {  557}
   (( segid "A   " and resid 56   and name HE1 ))
   (  segid "A   " and resid 87   and name HB% )
      2.700     2.700     3.300 {peak   557 spectrum    1 weight  0.10000E+01 volume  0.25363E-02 ppm1     10.106 ppm2      0.948 CV     1}
 ASSI {  558}
   (( segid "A   " and resid 56   and name HE1 ))
   (  segid "A   " and resid 54   and name HG2%)
      2.600     0.900     0.900 {peak   558 spectrum    1 weight  0.10000E+01 volume  0.25860E-02 ppm1     10.105 ppm2      0.223 CV     1}
 ASSI {  559}
   (( segid "A   " and resid 56   and name HE1 ))
   (  segid "A   " and resid 53   and name HD1%)
      3.400     3.400     2.600 {peak   559 spectrum    1 weight  0.10000E+01 volume  0.53957E-03 ppm1     10.105 ppm2      0.423 CV     1}
 ASSI {  560}
   (( segid "A   " and resid 57   and name HN  ))
   (  segid "A   " and resid 39   and name HG2%)
      3.200     1.300     1.300 {peak   560 spectrum    1 weight  0.10000E+01 volume  0.83298E-03 ppm1      9.278 ppm2      0.065 CV     1}
 ASSI {  561}
   (( segid "A   " and resid 57   and name HN  ))
   (  segid "A   " and resid 60   and name HB% )
      2.700     0.900     0.900 {peak   561 spectrum    1 weight  0.10000E+01 volume  0.20712E-02 ppm1      9.277 ppm2      1.167 CV     1}
 ASSI {  562}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 37   and name HB2 ))
      4.800     2.900     1.200 {peak   562 spectrum    1 weight  0.10000E+01 volume  0.71860E-04 ppm1      9.274 ppm2      1.754 CV     1}
 ASSI {  564}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 56   and name HA  ))
      2.300     0.600     0.600 {peak   564 spectrum    1 weight  0.10000E+01 volume  0.67633E-02 ppm1      9.276 ppm2      5.050 CV     1}
 ASSI {  565}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 39   and name HA  ))
      3.000     1.100     1.100 {peak   565 spectrum    1 weight  0.10000E+01 volume  0.13029E-02 ppm1      9.278 ppm2      5.394 CV     1}
 ASSI {  566}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 56   and name HE3 ))
      3.500     1.500     1.500 {peak   566 spectrum    1 weight  0.10000E+01 volume  0.49979E-03 ppm1      9.276 ppm2      7.466 CV     1}
 ASSI {  567}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 60   and name HN  ))
      5.000     3.200     1.000 {peak   567 spectrum    1 weight  0.10000E+01 volume  0.53708E-04 ppm1      9.278 ppm2      7.791 CV     1}
 ASSI {  568}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 38   and name HN  ))
      3.100     1.200     1.200 {peak   568 spectrum    1 weight  0.10000E+01 volume  0.92248E-03 ppm1      9.277 ppm2      8.625 CV     1}
 ASSI {  569}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 57   and name HN  ))
      4.400     2.400     1.600 {peak   569 spectrum    1 weight  0.10000E+01 volume  0.11985E-03 ppm1      7.351 ppm2      9.271 CV     1}
 ASSI {  570}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 56   and name HN  ))
      4.300     2.300     1.700 {peak   570 spectrum    1 weight  0.10000E+01 volume  0.14421E-03 ppm1      7.351 ppm2      8.616 CV     1}
 ASSI {  571}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 60   and name HN  ))
      2.400     0.700     0.700 {peak   571 spectrum    1 weight  0.10000E+01 volume  0.47492E-02 ppm1      7.351 ppm2      7.791 CV     1}
 ASSI {  573}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 59   and name HA  ))
      2.900     1.100     1.100 {peak   573 spectrum    1 weight  0.10000E+01 volume  0.14148E-02 ppm1      7.351 ppm2      4.664 CV     1}
 ASSI {  574}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 62   and name HB1 ))
      2.900     2.900     3.100 {peak   574 spectrum    1 weight  0.10000E+01 volume  0.15441E-02 ppm1      7.351 ppm2      4.051 CV     1}
 ASSI {  575}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 58   and name HE1 ))
      2.400     0.700     0.700 {peak   575 spectrum    1 weight  0.10000E+01 volume  0.47989E-02 ppm1      7.352 ppm2      2.869 CV     1}
 ASSI {  576}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 58   and name HB2 ))
      2.900     1.100     1.100 {peak   576 spectrum    1 weight  0.10000E+01 volume  0.14223E-02 ppm1      7.352 ppm2      1.732 CV     1}
 ASSI {  577}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 58   and name HG2 ))
      3.500     1.600     1.600 {peak   577 spectrum    1 weight  0.10000E+01 volume  0.46001E-03 ppm1      7.351 ppm2      1.258 CV     1}
 ASSI {  578}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 55   and name HB1 ))
      2.900     2.900     3.100 {peak   578 spectrum    1 weight  0.10000E+01 volume  0.13750E-02 ppm1      7.352 ppm2      0.913 CV     1}
 ASSI {  579}
   (( segid "A   " and resid 59   and name HN  ))
   (  segid "A   " and resid 55   and name HD1%)
      3.900     1.900     1.900 {peak   579 spectrum    1 weight  0.10000E+01 volume  0.26606E-03 ppm1      7.353 ppm2      0.703 CV     1}
 ASSI {  580}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 58   and name HE1 ))
      2.900     2.900     3.100 {peak   580 spectrum    1 weight  0.10000E+01 volume  0.14596E-02 ppm1      7.792 ppm2      2.867 CV     1}
 OR {  580}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 58   and name HE2 ))
 ASSI {  581}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 55   and name HB2 ))
      3.600     1.600     1.600 {peak   581 spectrum    1 weight  0.10000E+01 volume  0.38541E-03 ppm1      7.792 ppm2      1.891 CV     1}
 ASSI {  582}
   (( segid "A   " and resid 60   and name HN  ))
   (  segid "A   " and resid 60   and name HB% )
      2.400     0.700     0.700 {peak   582 spectrum    1 weight  0.10000E+01 volume  0.50973E-02 ppm1      7.794 ppm2      1.233 CV     1}
 ASSI {  583}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 55   and name HG  ))
      2.200     2.200     3.800 {peak   583 spectrum    1 weight  0.10000E+01 volume  0.85287E-02 ppm1      7.792 ppm2      1.176 CV     1}
 ASSI {  584}
   (( segid "A   " and resid 60   and name HN  ))
   (  segid "A   " and resid 55   and name HD2%)
      3.800     1.800     1.800 {peak   584 spectrum    1 weight  0.10000E+01 volume  0.31081E-03 ppm1      7.793 ppm2      0.625 CV     1}
 ASSI {  586}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 59   and name HA  ))
      3.100     1.200     1.200 {peak   586 spectrum    1 weight  0.10000E+01 volume  0.91504E-03 ppm1      7.793 ppm2      4.608 CV     1}
 ASSI {  587}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 39   and name HA  ))
      4.800     2.800     1.200 {peak   587 spectrum    1 weight  0.10000E+01 volume  0.76833E-04 ppm1      7.793 ppm2      5.404 CV     1}
 ASSI {  588}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 56   and name HA  ))
      5.300     3.500     0.700 {peak   588 spectrum    1 weight  0.10000E+01 volume  0.39038E-04 ppm1      7.792 ppm2      5.036 CV     1}
 ASSI {  591}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 40   and name HN  ))
      4.000     2.000     2.000 {peak   591 spectrum    1 weight  0.10000E+01 volume  0.21061E-03 ppm1      9.137 ppm2      8.686 CV     1}
 ASSI {  592}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 41   and name HN  ))
      4.900     3.000     1.100 {peak   592 spectrum    1 weight  0.10000E+01 volume  0.64152E-04 ppm1      9.132 ppm2      8.023 CV     1}
 ASSI {  593}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 60   and name HN  ))
      3.700     1.700     1.700 {peak   593 spectrum    1 weight  0.10000E+01 volume  0.37297E-03 ppm1      9.134 ppm2      7.762 CV     1}
 ASSI {  596}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 62   and name HB1 ))
      2.100     2.100     3.900 {peak   596 spectrum    1 weight  0.10000E+01 volume  0.10343E-01 ppm1      9.134 ppm2      4.046 CV     1}
 ASSI {  597}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 40   and name HB2 ))
      3.100     1.200     1.200 {peak   597 spectrum    1 weight  0.10000E+01 volume  0.10717E-02 ppm1      9.134 ppm2      3.348 CV     1}
 ASSI {  598}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 55   and name HB2 ))
      3.200     1.200     1.200 {peak   598 spectrum    1 weight  0.10000E+01 volume  0.88769E-03 ppm1      9.133 ppm2      1.940 CV     1}
 ASSI {  599}
   (( segid "A   " and resid 61   and name HN  ))
   (  segid "A   " and resid 27   and name HB% )
      2.600     2.600     3.400 {peak   599 spectrum    1 weight  0.10000E+01 volume  0.26854E-02 ppm1      9.133 ppm2      1.139 CV     1}
 ASSI {  600}
   (( segid "A   " and resid 61   and name HN  ))
   (  segid "A   " and resid 55   and name HD2%)
      3.100     1.200     1.200 {peak   600 spectrum    1 weight  0.10000E+01 volume  0.91005E-03 ppm1      9.133 ppm2      0.661 CV     1}
 ASSI {  601}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 41   and name HA  ))
      5.900     4.400     0.100 {peak   601 spectrum    1 weight  0.10000E+01 volume  0.20066E-04 ppm1      9.140 ppm2      5.419 CV     1}
 ASSI {  602}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 62   and name HB2 ))
      3.200     1.300     1.300 {peak   602 spectrum    1 weight  0.10000E+01 volume  0.88022E-03 ppm1      7.649 ppm2      3.692 CV     1}
 ASSI {  603}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 60   and name HA  ))
      2.600     2.600     3.400 {peak   603 spectrum    1 weight  0.10000E+01 volume  0.30335E-02 ppm1      7.651 ppm2      3.933 CV     1}
 ASSI {  604}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 58   and name HA  ))
      2.400     2.400     3.600 {peak   604 spectrum    1 weight  0.10000E+01 volume  0.45503E-02 ppm1      7.651 ppm2      4.117 CV     1}
 ASSI {  605}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 63   and name HA  ))
      4.000     2.000     2.000 {peak   605 spectrum    1 weight  0.10000E+01 volume  0.22205E-03 ppm1      7.653 ppm2      4.973 CV     1}
 ASSI {  606}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 59   and name HA  ))
      4.000     2.000     2.000 {peak   606 spectrum    1 weight  0.10000E+01 volume  0.22030E-03 ppm1      7.652 ppm2      4.630 CV     1}
 ASSI {  607}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 55   and name HB2 ))
      4.700     2.800     1.300 {peak   607 spectrum    1 weight  0.10000E+01 volume  0.80066E-04 ppm1      7.649 ppm2      1.897 CV     1}
 ASSI {  608}
   (( segid "A   " and resid 62   and name HN  ))
   (  segid "A   " and resid 60   and name HB% )
      3.500     1.600     1.600 {peak   608 spectrum    1 weight  0.10000E+01 volume  0.44508E-03 ppm1      7.651 ppm2      1.189 CV     1}
 ASSI {  609}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 63   and name HG12))
      3.100     1.200     1.200 {peak   609 spectrum    1 weight  0.10000E+01 volume  0.10070E-02 ppm1      7.651 ppm2      1.072 CV     1}
 ASSI {  610}
   (( segid "A   " and resid 62   and name HN  ))
   (  segid "A   " and resid 55   and name HD1%)
      2.700     0.900     0.900 {peak   610 spectrum    1 weight  0.10000E+01 volume  0.23995E-02 ppm1      7.650 ppm2      0.663 CV     1}
 ASSI {  611}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 63   and name HN  ))
      2.500     0.800     0.800 {peak   611 spectrum    1 weight  0.10000E+01 volume  0.38292E-02 ppm1      7.651 ppm2      7.043 CV     1}
 ASSI {  612}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 61   and name HN  ))
      2.800     1.000     1.000 {peak   612 spectrum    1 weight  0.10000E+01 volume  0.19196E-02 ppm1      7.650 ppm2      9.130 CV     1}
 ASSI {  613}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 61   and name HN  ))
      3.700     1.700     1.700 {peak   613 spectrum    1 weight  0.10000E+01 volume  0.34065E-03 ppm1      7.045 ppm2      9.136 CV     1}
 ASSI {  614}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 64   and name HN  ))
      3.600     1.600     1.600 {peak   614 spectrum    1 weight  0.10000E+01 volume  0.43514E-03 ppm1      7.043 ppm2      8.291 CV     1}
 ASSI {  616}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 63   and name HA  ))
      2.500     0.800     0.800 {peak   616 spectrum    1 weight  0.10000E+01 volume  0.34811E-02 ppm1      7.042 ppm2      4.954 CV     1}
 ASSI {  617}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 60   and name HA  ))
      3.200     3.200     2.800 {peak   617 spectrum    1 weight  0.10000E+01 volume  0.78325E-03 ppm1      7.040 ppm2      3.930 CV     1}
 ASSI {  618}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 62   and name HB2 ))
      3.800     1.800     1.800 {peak   618 spectrum    1 weight  0.10000E+01 volume  0.27600E-03 ppm1      7.043 ppm2      3.691 CV     1}
 ASSI {  619}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 63   and name HB  ))
      3.300     1.300     1.300 {peak   619 spectrum    1 weight  0.10000E+01 volume  0.71114E-03 ppm1      7.043 ppm2      1.790 CV     1}
 ASSI {  620}
   (( segid "A   " and resid 63   and name HN  ))
   (  segid "A   " and resid 55   and name HD2%)
      2.300     2.300     3.700 {peak   620 spectrum    1 weight  0.10000E+01 volume  0.62660E-02 ppm1      7.042 ppm2      0.651 CV     1}
 ASSI {  621}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 63   and name HA  ))
      2.300     0.600     0.600 {peak   621 spectrum    1 weight  0.10000E+01 volume  0.67136E-02 ppm1      8.309 ppm2      4.960 CV     1}
 ASSI {  622}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 64   and name HA  ))
      2.700     0.900     0.900 {peak   622 spectrum    1 weight  0.10000E+01 volume  0.20539E-02 ppm1      8.308 ppm2      4.535 CV     1}
 ASSI {  623}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 67   and name HG2 ))
      2.700     0.900     0.900 {peak   623 spectrum    1 weight  0.10000E+01 volume  0.24367E-02 ppm1      8.309 ppm2      2.379 CV     1}
 OR {  623}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 67   and name HG1 ))
 ASSI {  624}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 67   and name HB1 ))
      6.000     6.000     0.000 {peak   624 spectrum    1 weight  0.10000E+01 volume  0.49233E-05 ppm1      8.311 ppm2      2.114 CV     1}
 ASSI {  625}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 63   and name HB  ))
      2.400     0.700     0.700 {peak   625 spectrum    1 weight  0.10000E+01 volume  0.46995E-02 ppm1      8.308 ppm2      1.796 CV     1}
 ASSI {  626}
   (( segid "A   " and resid 64   and name HN  ))
   (  segid "A   " and resid 63   and name HG2%)
      2.500     0.800     0.800 {peak   626 spectrum    1 weight  0.10000E+01 volume  0.38790E-02 ppm1      8.308 ppm2      0.698 CV     1}
 ASSI {  627}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 67   and name HE21))
      4.200     2.200     1.800 {peak   627 spectrum    1 weight  0.10000E+01 volume  0.15764E-03 ppm1      8.311 ppm2      6.723 CV     1}
 ASSI {  629}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 67   and name HN  ))
      4.300     2.300     1.700 {peak   629 spectrum    1 weight  0.10000E+01 volume  0.14546E-03 ppm1      8.312 ppm2      7.489 CV     1}
 ASSI {  630}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 66   and name HN  ))
      3.300     1.300     1.300 {peak   630 spectrum    1 weight  0.10000E+01 volume  0.71860E-03 ppm1      8.562 ppm2      8.942 CV     1}
 ASSI {  631}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 64   and name HA  ))
      2.000     2.000     4.000 {peak   631 spectrum    1 weight  0.10000E+01 volume  0.13129E-01 ppm1      8.565 ppm2      4.569 CV     1}
 ASSI {  632}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 65   and name HG1 ))
      2.700     0.900     0.900 {peak   632 spectrum    1 weight  0.10000E+01 volume  0.21682E-02 ppm1      8.564 ppm2      2.257 CV     1}
 ASSI {  633}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 65   and name HB2 ))
      1.900     0.500     0.500 {peak   633 spectrum    1 weight  0.10000E+01 volume  0.16958E-01 ppm1      8.561 ppm2      1.863 CV     1}
 ASSI {  637}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 22   and name HA  ))
      2.900     2.900     3.100 {peak   637 spectrum    1 weight  0.10000E+01 volume  0.14198E-02 ppm1      8.931 ppm2      4.412 CV     1}
 ASSI {  638}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 66   and name HA1 ))
      2.600     0.900     0.900 {peak   638 spectrum    1 weight  0.10000E+01 volume  0.25611E-02 ppm1      8.933 ppm2      3.762 CV     1}
 ASSI {  639}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 65   and name HA  ))
      2.100     2.100     3.900 {peak   639 spectrum    1 weight  0.10000E+01 volume  0.10543E-01 ppm1      8.930 ppm2      3.462 CV     1}
 ASSI {  640}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 65   and name HB1 ))
      2.600     0.900     0.900 {peak   640 spectrum    1 weight  0.10000E+01 volume  0.25611E-02 ppm1      8.931 ppm2      1.961 CV     1}
 ASSI {  641}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 21   and name HB  ))
      3.600     1.600     1.600 {peak   641 spectrum    1 weight  0.10000E+01 volume  0.43265E-03 ppm1      8.931 ppm2      2.425 CV     1}
 ASSI {  642}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 20   and name HG1 ))
      3.600     3.600     2.400 {peak   642 spectrum    1 weight  0.10000E+01 volume  0.39784E-03 ppm1      8.929 ppm2      1.391 CV     1}
 OR {  642}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 20   and name HG2 ))
 ASSI {  643}
   (( segid "A   " and resid 66   and name HN  ))
   (  segid "A   " and resid 21   and name HG1%)
      2.600     0.800     0.800 {peak   643 spectrum    1 weight  0.10000E+01 volume  0.32076E-02 ppm1      8.929 ppm2      0.624 CV     1}
 ASSI {  644}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 66   and name HN  ))
      3.400     1.500     1.500 {peak   644 spectrum    1 weight  0.10000E+01 volume  0.52466E-03 ppm1      7.500 ppm2      8.879 CV     1}
 ASSI {  646}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 65   and name HN  ))
      4.000     2.000     2.000 {peak   646 spectrum    1 weight  0.10000E+01 volume  0.22876E-03 ppm1      7.503 ppm2      8.572 CV     1}
 ASSI {  647}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 67   and name HE21))
      4.500     2.600     1.500 {peak   647 spectrum    1 weight  0.10000E+01 volume  0.10046E-03 ppm1      7.492 ppm2      6.756 CV     1}
 ASSI {  648}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 20   and name HA  ))
      4.800     2.900     1.200 {peak   648 spectrum    1 weight  0.10000E+01 volume  0.69374E-04 ppm1      7.500 ppm2      5.124 CV     1}
 ASSI {  649}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 66   and name HA2 ))
      2.700     0.900     0.900 {peak   649 spectrum    1 weight  0.10000E+01 volume  0.22279E-02 ppm1      7.500 ppm2      4.487 CV     1}
 ASSI {  650}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 67   and name HA  ))
      2.900     1.100     1.100 {peak   650 spectrum    1 weight  0.10000E+01 volume  0.14894E-02 ppm1      7.500 ppm2      4.215 CV     1}
 ASSI {  651}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 20   and name HD1 ))
      4.500     2.500     1.500 {peak   651 spectrum    1 weight  0.10000E+01 volume  0.10940E-03 ppm1      7.502 ppm2      3.383 CV     1}
 OR {  651}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 20   and name HD2 ))
 ASSI {  652}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 67   and name HG1 ))
      2.100     0.500     0.500 {peak   652 spectrum    1 weight  0.10000E+01 volume  0.10890E-01 ppm1      7.501 ppm2      2.344 CV     1}
 ASSI {  653}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 67   and name HB2 ))
      2.900     1.000     1.000 {peak   653 spectrum    1 weight  0.10000E+01 volume  0.16461E-02 ppm1      7.501 ppm2      1.835 CV     1}
 ASSI {  654}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 67   and name HB1 ))
      2.700     0.900     0.900 {peak   654 spectrum    1 weight  0.10000E+01 volume  0.22528E-02 ppm1      7.500 ppm2      2.103 CV     1}
 ASSI {  655}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 20   and name HG1 ))
      3.200     1.300     1.300 {peak   655 spectrum    1 weight  0.10000E+01 volume  0.80563E-03 ppm1      7.501 ppm2      1.408 CV     1}
 ASSI {  656}
   (( segid "A   " and resid 67   and name HN  ))
   (  segid "A   " and resid 68   and name HG1%)
      2.700     2.700     3.300 {peak   656 spectrum    1 weight  0.10000E+01 volume  0.21558E-02 ppm1      7.502 ppm2      0.688 CV     1}
 ASSI {  657}
   (( segid "A   " and resid 67   and name HE21))
   (  segid "A   " and resid 69   and name HG2%)
      3.900     1.900     1.900 {peak   657 spectrum    1 weight  0.10000E+01 volume  0.23796E-03 ppm1      6.736 ppm2      0.580 CV     1}
 ASSI {  658}
   (( segid "A   " and resid 67   and name HE21))
   (( segid "A   " and resid 67   and name HB2 ))
      4.500     2.500     1.500 {peak   658 spectrum    1 weight  0.10000E+01 volume  0.10841E-03 ppm1      6.737 ppm2      1.861 CV     1}
 ASSI {  659}
   (( segid "A   " and resid 67   and name HE21))
   (( segid "A   " and resid 67   and name HG1 ))
      2.800     1.000     1.000 {peak   659 spectrum    1 weight  0.10000E+01 volume  0.18499E-02 ppm1      6.736 ppm2      2.370 CV     1}
 ASSI {  660}
   (( segid "A   " and resid 67   and name HE21))
   (( segid "A   " and resid 66   and name HA2 ))
      4.800     2.900     1.200 {peak   660 spectrum    1 weight  0.10000E+01 volume  0.71114E-04 ppm1      6.736 ppm2      4.480 CV     1}
 ASSI {  661}
   (( segid "A   " and resid 67   and name HE21))
   (( segid "A   " and resid 67   and name HE22))
      2.000     0.500     0.500 {peak   661 spectrum    1 weight  0.10000E+01 volume  0.12308E-01 ppm1      6.735 ppm2      7.342 CV     1}
 ASSI {  663}
   (( segid "A   " and resid 67   and name HE22))
   (  segid "A   " and resid 69   and name HG2%)
      6.000     5.300     0.000 {peak   663 spectrum    1 weight  0.10000E+01 volume  0.11686E-04 ppm1      7.366 ppm2      0.650 CV     1}
 ASSI {  664}
   (( segid "A   " and resid 67   and name HE22))
   (( segid "A   " and resid 67   and name HB2 ))
      4.900     3.100     1.100 {peak   664 spectrum    1 weight  0.10000E+01 volume  0.60422E-04 ppm1      7.359 ppm2      1.918 CV     1}
 ASSI {  665}
   (( segid "A   " and resid 67   and name HE22))
   (( segid "A   " and resid 67   and name HG1 ))
      3.000     1.100     1.100 {peak   665 spectrum    1 weight  0.10000E+01 volume  0.12780E-02 ppm1      7.365 ppm2      2.354 CV     1}
 OR {  665}
   (( segid "A   " and resid 67   and name HE22))
   (( segid "A   " and resid 67   and name HG2 ))
 ASSI {  667}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 67   and name HG1 ))
      2.100     2.100     3.900 {peak   667 spectrum    1 weight  0.10000E+01 volume  0.98218E-02 ppm1      8.378 ppm2      2.367 CV     1}
 OR {  667}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 67   and name HG2 ))
 ASSI {  668}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 95   and name HB2 ))
      2.000     2.000     4.000 {peak   668 spectrum    1 weight  0.10000E+01 volume  0.14049E-01 ppm1      8.380 ppm2      1.954 CV     1}
 ASSI {  669}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 67   and name HA  ))
      1.900     0.500     0.500 {peak   669 spectrum    1 weight  0.10000E+01 volume  0.17679E-01 ppm1      8.380 ppm2      4.225 CV     1}
 ASSI {  670}
   (( segid "A   " and resid 69   and name HN  ))
   (( segid "A   " and resid 69   and name HB  ))
      3.400     1.500     1.500 {peak   670 spectrum    1 weight  0.10000E+01 volume  0.53957E-03 ppm1      8.932 ppm2      1.712 CV     1}
 ASSI {  671}
   (( segid "A   " and resid 69   and name HN  ))
   (  segid "A   " and resid 69   and name HG2%)
      2.300     0.600     0.600 {peak   671 spectrum    1 weight  0.10000E+01 volume  0.66887E-02 ppm1      8.933 ppm2      0.554 CV     1}
 ASSI {  672}
   (( segid "A   " and resid 69   and name HN  ))
   (  segid "A   " and resid 68   and name HG2%)
      3.100     1.200     1.200 {peak   672 spectrum    1 weight  0.10000E+01 volume  0.91504E-03 ppm1      8.935 ppm2     -0.077 CV     1}
 ASSI {  673}
   (( segid "A   " and resid 69   and name HN  ))
   (( segid "A   " and resid 68   and name HA  ))
      2.600     0.800     0.800 {peak   673 spectrum    1 weight  0.10000E+01 volume  0.28844E-02 ppm1      8.936 ppm2      4.724 CV     1}
 ASSI {  674}
   (( segid "A   " and resid 69   and name HN  ))
   (( segid "A   " and resid 20   and name HA  ))
      3.000     1.100     1.100 {peak   674 spectrum    1 weight  0.10000E+01 volume  0.12457E-02 ppm1      8.935 ppm2      5.091 CV     1}
 ASSI {  675}
   (( segid "A   " and resid 69   and name HN  ))
   (( segid "A   " and resid 19   and name HN  ))
      3.900     1.900     1.900 {peak   675 spectrum    1 weight  0.10000E+01 volume  0.24517E-03 ppm1      8.934 ppm2      8.622 CV     1}
 ASSI {  676}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 94   and name HN  ))
      2.400     0.700     0.700 {peak   676 spectrum    1 weight  0.10000E+01 volume  0.46249E-02 ppm1      9.026 ppm2      8.674 CV     1}
 ASSI {  678}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 69   and name HA  ))
      2.400     0.700     0.700 {peak   678 spectrum    1 weight  0.10000E+01 volume  0.51968E-02 ppm1      9.025 ppm2      4.932 CV     1}
 ASSI {  679}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 70   and name HB2 ))
      3.700     1.700     1.700 {peak   679 spectrum    1 weight  0.10000E+01 volume  0.33319E-03 ppm1      9.024 ppm2      1.477 CV     1}
 ASSI {  680}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 69   and name HB  ))
      2.300     0.700     0.700 {peak   680 spectrum    1 weight  0.10000E+01 volume  0.61416E-02 ppm1      9.025 ppm2      1.757 CV     1}
 ASSI {  681}
   (( segid "A   " and resid 70   and name HN  ))
   (  segid "A   " and resid 71   and name HG2%)
      3.900     3.900     2.100 {peak   681 spectrum    1 weight  0.10000E+01 volume  0.23672E-03 ppm1      9.025 ppm2      0.570 CV     1}
 ASSI {  683}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 18   and name HA  ))
      2.900     1.100     1.100 {peak   683 spectrum    1 weight  0.10000E+01 volume  0.13527E-02 ppm1      9.077 ppm2      5.184 CV     1}
 ASSI {  685}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 71   and name HG12))
      2.400     0.700     0.700 {peak   685 spectrum    1 weight  0.10000E+01 volume  0.44757E-02 ppm1      9.076 ppm2      1.425 CV     1}
 ASSI {  686}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 71   and name HB  ))
      2.300     0.700     0.700 {peak   686 spectrum    1 weight  0.10000E+01 volume  0.61914E-02 ppm1      9.076 ppm2      1.786 CV     1}
 ASSI {  687}
   (( segid "A   " and resid 71   and name HN  ))
   (  segid "A   " and resid 71   and name HG2%)
      2.300     2.300     3.700 {peak   687 spectrum    1 weight  0.10000E+01 volume  0.57935E-02 ppm1      9.075 ppm2      0.578 CV     1}
 ASSI {  688}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 17   and name HB  ))
      4.000     2.000     2.000 {peak   688 spectrum    1 weight  0.10000E+01 volume  0.21682E-03 ppm1      9.077 ppm2      2.118 CV     1}
 ASSI {  689}
   (( segid "A   " and resid 72   and name HN  ))
   (  segid "A   " and resid 71   and name HG2%)
      2.300     0.600     0.600 {peak   689 spectrum    1 weight  0.10000E+01 volume  0.63903E-02 ppm1      9.182 ppm2      0.624 CV     1}
 ASSI {  690}
   (( segid "A   " and resid 72   and name HN  ))
   (  segid "A   " and resid 91   and name HG2%)
      3.300     1.300     1.300 {peak   690 spectrum    1 weight  0.10000E+01 volume  0.74098E-03 ppm1      9.181 ppm2      1.160 CV     1}
 ASSI {  691}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 71   and name HG12))
      4.200     2.200     1.800 {peak   691 spectrum    1 weight  0.10000E+01 volume  0.17132E-03 ppm1      9.182 ppm2      1.424 CV     1}
 ASSI {  692}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 73   and name HB1 ))
      3.400     3.400     2.600 {peak   692 spectrum    1 weight  0.10000E+01 volume  0.55947E-03 ppm1      9.181 ppm2      2.899 CV     1}
 ASSI {  693}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 71   and name HA  ))
      2.100     0.500     0.500 {peak   693 spectrum    1 weight  0.10000E+01 volume  0.10593E-01 ppm1      9.182 ppm2      4.726 CV     1}
 ASSI {  694}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 72   and name HA  ))
      2.800     1.000     1.000 {peak   694 spectrum    1 weight  0.10000E+01 volume  0.19071E-02 ppm1      9.182 ppm2      4.977 CV     1}
 ASSI {  695}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 16   and name HA  ))
      4.200     2.200     1.800 {peak   695 spectrum    1 weight  0.10000E+01 volume  0.15790E-03 ppm1      9.183 ppm2      6.012 CV     1}
 ASSI {  696}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 93   and name HN  ))
      4.300     2.300     1.700 {peak   696 spectrum    1 weight  0.10000E+01 volume  0.13750E-03 ppm1      9.185 ppm2      8.379 CV     1}
 ASSI {  697}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 94   and name HN  ))
      4.400     2.500     1.600 {peak   697 spectrum    1 weight  0.10000E+01 volume  0.11637E-03 ppm1      9.180 ppm2      8.685 CV     1}
 ASSI {  698}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 72   and name HN  ))
      3.300     1.300     1.300 {peak   698 spectrum    1 weight  0.10000E+01 volume  0.72358E-03 ppm1      8.868 ppm2      9.172 CV     1}
 ASSI {  699}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 16   and name HA  ))
      2.900     1.100     1.100 {peak   699 spectrum    1 weight  0.10000E+01 volume  0.14621E-02 ppm1      8.868 ppm2      6.010 CV     1}
 ASSI {  700}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 72   and name HA  ))
      2.300     0.600     0.600 {peak   700 spectrum    1 weight  0.10000E+01 volume  0.63157E-02 ppm1      8.868 ppm2      5.037 CV     1}
 ASSI {  701}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 73   and name HA  ))
      2.300     0.700     0.700 {peak   701 spectrum    1 weight  0.10000E+01 volume  0.53957E-02 ppm1      8.867 ppm2      4.357 CV     1}
 ASSI {  702}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 73   and name HB2 ))
      3.100     1.200     1.200 {peak   702 spectrum    1 weight  0.10000E+01 volume  0.10841E-02 ppm1      8.869 ppm2      3.788 CV     1}
 ASSI {  703}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 73   and name HB1 ))
      2.800     1.000     1.000 {peak   703 spectrum    1 weight  0.10000E+01 volume  0.19395E-02 ppm1      8.869 ppm2      2.913 CV     1}
 ASSI {  704}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 72   and name HB2 ))
      2.600     0.800     0.800 {peak   704 spectrum    1 weight  0.10000E+01 volume  0.32076E-02 ppm1      8.868 ppm2      1.993 CV     1}
 ASSI {  705}
   (( segid "A   " and resid 73   and name HN  ))
   (  segid "A   " and resid 74   and name HB% )
      3.700     1.700     1.700 {peak   705 spectrum    1 weight  0.10000E+01 volume  0.34065E-03 ppm1      8.868 ppm2      1.250 CV     1}
 ASSI {  706}
   (( segid "A   " and resid 73   and name HN  ))
   (  segid "A   " and resid 17   and name HG1%)
      3.500     3.500     2.500 {peak   706 spectrum    1 weight  0.10000E+01 volume  0.50476E-03 ppm1      8.867 ppm2      0.637 CV     1}
 ASSI {  707}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 16   and name HN  ))
      4.700     2.800     1.300 {peak   707 spectrum    1 weight  0.10000E+01 volume  0.78823E-04 ppm1      8.872 ppm2      8.246 CV     1}
 ASSI {  708}
   (( segid "A   " and resid 73   and name HD21))
   (( segid "A   " and resid 90   and name HB2 ))
      4.000     2.000     2.000 {peak   708 spectrum    1 weight  0.10000E+01 volume  0.20886E-03 ppm1      6.921 ppm2      1.920 CV     1}
 ASSI {  709}
   (( segid "A   " and resid 73   and name HD21))
   (( segid "A   " and resid 90   and name HE1 ))
      5.500     3.800     0.500 {peak   709 spectrum    1 weight  0.10000E+01 volume  0.32573E-04 ppm1      6.935 ppm2      2.922 CV     1}
 OR {  709}
   (( segid "A   " and resid 73   and name HD21))
   (( segid "A   " and resid 90   and name HE2 ))
 ASSI {  710}
   (( segid "A   " and resid 73   and name HD21))
   (( segid "A   " and resid 90   and name HG1 ))
      4.700     2.800     1.300 {peak   710 spectrum    1 weight  0.10000E+01 volume  0.80563E-04 ppm1      6.929 ppm2      1.603 CV     1}
 ASSI {  712}
   (( segid "A   " and resid 73   and name HD21))
   (( segid "A   " and resid 73   and name HD22))
      2.900     2.900     3.100 {peak   712 spectrum    1 weight  0.10000E+01 volume  0.15193E-02 ppm1      6.924 ppm2      7.252 CV     1}
 ASSI {  714}
   (( segid "A   " and resid 73   and name HD22))
   (( segid "A   " and resid 90   and name HB1 ))
      6.000     5.000     0.000 {peak   714 spectrum    1 weight  0.10000E+01 volume  0.13900E-04 ppm1      7.260 ppm2      1.984 CV     1}
 ASSI {  715}
   (( segid "A   " and resid 73   and name HD22))
   (( segid "A   " and resid 90   and name HE1 ))
      6.000     4.800     0.000 {peak   715 spectrum    1 weight  0.10000E+01 volume  0.15516E-04 ppm1      7.266 ppm2      2.899 CV     1}
 OR {  715}
   (( segid "A   " and resid 73   and name HD22))
   (( segid "A   " and resid 90   and name HE2 ))
 ASSI {  717}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 74   and name HA  ))
      2.400     0.700     0.700 {peak   717 spectrum    1 weight  0.10000E+01 volume  0.46001E-02 ppm1      8.957 ppm2      4.910 CV     1}
 ASSI {  718}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 73   and name HA  ))
      2.600     0.800     0.800 {peak   718 spectrum    1 weight  0.10000E+01 volume  0.30584E-02 ppm1      8.956 ppm2      4.357 CV     1}
 ASSI {  719}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 73   and name HB2 ))
      3.400     1.400     1.400 {peak   719 spectrum    1 weight  0.10000E+01 volume  0.56941E-03 ppm1      8.958 ppm2      3.790 CV     1}
 ASSI {  720}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 16   and name HB2 ))
      4.700     4.700     1.300 {peak   720 spectrum    1 weight  0.10000E+01 volume  0.80811E-04 ppm1      8.956 ppm2      2.924 CV     1}
 ASSI {  721}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 73   and name HB1 ))
      3.900     1.900     1.900 {peak   721 spectrum    1 weight  0.10000E+01 volume  0.24343E-03 ppm1      8.955 ppm2      2.840 CV     1}
 ASSI {  722}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 15   and name HB  ))
      2.800     0.900     0.900 {peak   722 spectrum    1 weight  0.10000E+01 volume  0.20365E-02 ppm1      8.959 ppm2      1.810 CV     1}
 ASSI {  724}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 85   and name HG  ))
      2.600     2.600     3.400 {peak   724 spectrum    1 weight  0.10000E+01 volume  0.31330E-02 ppm1      8.956 ppm2      1.300 CV     1}
 ASSI {  725}
   (( segid "A   " and resid 74   and name HN  ))
   (  segid "A   " and resid 71   and name HG2%)
      2.900     2.900     3.100 {peak   725 spectrum    1 weight  0.10000E+01 volume  0.13601E-02 ppm1      8.957 ppm2      0.586 CV     1}
 ASSI {  726}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 16   and name HA  ))
      4.300     2.300     1.700 {peak   726 spectrum    1 weight  0.10000E+01 volume  0.14223E-03 ppm1      8.955 ppm2      5.979 CV     1}
 ASSI {  727}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 75   and name HN  ))
      3.600     1.600     1.600 {peak   727 spectrum    1 weight  0.10000E+01 volume  0.39038E-03 ppm1      8.957 ppm2      7.940 CV     1}
 ASSI {  728}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 16   and name HN  ))
      4.400     2.400     1.600 {peak   728 spectrum    1 weight  0.10000E+01 volume  0.11761E-03 ppm1      8.960 ppm2      8.244 CV     1}
 ASSI {  729}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 75   and name HB1 ))
      3.400     1.500     1.500 {peak   729 spectrum    1 weight  0.10000E+01 volume  0.55200E-03 ppm1      7.934 ppm2      3.287 CV     1}
 ASSI {  730}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 75   and name HB2 ))
      3.700     1.700     1.700 {peak   730 spectrum    1 weight  0.10000E+01 volume  0.36055E-03 ppm1      7.931 ppm2      3.772 CV     1}
 ASSI {  734}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 86   and name HD22))
      3.500     3.500     2.500 {peak   734 spectrum    1 weight  0.10000E+01 volume  0.44757E-03 ppm1      7.932 ppm2      6.773 CV     1}
 ASSI {  735}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 86   and name HN  ))
      2.600     0.900     0.900 {peak   735 spectrum    1 weight  0.10000E+01 volume  0.26108E-02 ppm1      7.934 ppm2      8.231 CV     1}
 ASSI {  736}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 15   and name HN  ))
      3.100     1.200     1.200 {peak   736 spectrum    1 weight  0.10000E+01 volume  0.93491E-03 ppm1      7.936 ppm2      9.025 CV     1}
 ASSI {  737}
   (( segid "A   " and resid 75   and name HN  ))
   (  segid "A   " and resid 74   and name HB% )
      2.200     0.600     0.600 {peak   737 spectrum    1 weight  0.10000E+01 volume  0.83298E-02 ppm1      7.934 ppm2      1.253 CV     1}
 ASSI {  738}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 86   and name HB1 ))
      4.500     2.500     1.500 {peak   738 spectrum    1 weight  0.10000E+01 volume  0.11189E-03 ppm1      7.932 ppm2      0.940 CV     1}
 ASSI {  739}
   (( segid "A   " and resid 75   and name HN  ))
   (  segid "A   " and resid 85   and name HD2%)
      2.500     2.500     3.500 {peak   739 spectrum    1 weight  0.10000E+01 volume  0.37546E-02 ppm1      7.934 ppm2      0.571 CV     1}
 ASSI {  740}
   (( segid "A   " and resid 75   and name HE1 ))
   (( segid "A   " and resid 75   and name HB2 ))
      5.900     4.400     0.100 {peak   740 spectrum    1 weight  0.10000E+01 volume  0.19966E-04 ppm1      9.704 ppm2      3.813 CV     1}
 ASSI {  741}
   (( segid "A   " and resid 75   and name HE1 ))
   (( segid "A   " and resid 86   and name HD21))
      3.900     1.900     1.900 {peak   741 spectrum    1 weight  0.10000E+01 volume  0.24293E-03 ppm1      9.706 ppm2      5.701 CV     1}
 ASSI {  742}
   (( segid "A   " and resid 75   and name HE1 ))
   (( segid "A   " and resid 87   and name HA  ))
      5.600     3.900     0.400 {peak   742 spectrum    1 weight  0.10000E+01 volume  0.29341E-04 ppm1      9.699 ppm2      4.856 CV     1}
 ASSI {  743}
   (( segid "A   " and resid 75   and name HE1 ))
   (( segid "A   " and resid 75   and name HZ2 ))
      2.700     0.900     0.900 {peak   743 spectrum    1 weight  0.10000E+01 volume  0.25363E-02 ppm1      9.704 ppm2      6.834 CV     1}
 ASSI {  745}
   (( segid "A   " and resid 75   and name HE1 ))
   (( segid "A   " and resid 86   and name HN  ))
      4.800     2.800     1.200 {peak   745 spectrum    1 weight  0.10000E+01 volume  0.76584E-04 ppm1      9.709 ppm2      8.217 CV     1}
 ASSI {  746}
   (( segid "A   " and resid 75   and name HE1 ))
   (( segid "A   " and resid 86   and name HB2 ))
      4.700     2.800     1.300 {peak   746 spectrum    1 weight  0.10000E+01 volume  0.82552E-04 ppm1      9.707 ppm2      0.501 CV     1}
 ASSI {  747}
   (( segid "A   " and resid 75   and name HE1 ))
   (( segid "A   " and resid 86   and name HB1 ))
      5.300     3.500     0.700 {peak   747 spectrum    1 weight  0.10000E+01 volume  0.39038E-04 ppm1      9.711 ppm2      0.856 CV     1}
 ASSI {  748}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 75   and name HE1 ))
      5.400     3.600     0.600 {peak   748 spectrum    1 weight  0.10000E+01 volume  0.36055E-04 ppm1      9.063 ppm2      9.713 CV     1}
 ASSI {  750}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 75   and name HN  ))
      3.700     1.800     1.800 {peak   750 spectrum    1 weight  0.10000E+01 volume  0.31828E-03 ppm1      9.066 ppm2      7.929 CV     1}
 ASSI {  751}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 11   and name HN  ))
      3.500     1.600     1.600 {peak   751 spectrum    1 weight  0.10000E+01 volume  0.45255E-03 ppm1      9.068 ppm2      7.056 CV     1}
 ASSI {  753}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 75   and name HA  ))
      2.300     0.700     0.700 {peak   753 spectrum    1 weight  0.10000E+01 volume  0.53211E-02 ppm1      9.067 ppm2      5.467 CV     1}
 ASSI {  754}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 11   and name HA  ))
      2.900     2.900     3.100 {peak   754 spectrum    1 weight  0.10000E+01 volume  0.14919E-02 ppm1      9.068 ppm2      4.501 CV     1}
 ASSI {  755}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 75   and name HB2 ))
      2.500     0.800     0.800 {peak   755 spectrum    1 weight  0.10000E+01 volume  0.39536E-02 ppm1      9.067 ppm2      3.747 CV     1}
 ASSI {  756}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 75   and name HB1 ))
      2.700     2.700     3.300 {peak   756 spectrum    1 weight  0.10000E+01 volume  0.21906E-02 ppm1      9.067 ppm2      3.330 CV     1}
 ASSI {  757}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 13   and name HB2 ))
      2.800     2.800     3.200 {peak   757 spectrum    1 weight  0.10000E+01 volume  0.19644E-02 ppm1      9.067 ppm2      2.073 CV     1}
 OR {  757}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 13   and name HB1 ))
 ASSI {  758}
   (( segid "A   " and resid 76   and name HN  ))
   (  segid "A   " and resid 76   and name HG2%)
      2.600     0.800     0.800 {peak   758 spectrum    1 weight  0.10000E+01 volume  0.30335E-02 ppm1      9.067 ppm2      1.157 CV     1}
 ASSI {  759}
   (( segid "A   " and resid 76   and name HN  ))
   (  segid "A   " and resid 15   and name HG2%)
      3.100     1.200     1.200 {peak   759 spectrum    1 weight  0.10000E+01 volume  0.93491E-03 ppm1      9.067 ppm2      0.778 CV     1}
 ASSI {  760}
   (( segid "A   " and resid 77   and name HN  ))
   (  segid "A   " and resid 83   and name HG1%)
      2.900     1.100     1.100 {peak   760 spectrum    1 weight  0.10000E+01 volume  0.14347E-02 ppm1      8.775 ppm2      0.725 CV     1}
 OR {  760}
   (( segid "A   " and resid 77   and name HN  ))
   (  segid "A   " and resid 83   and name HG2%)
 ASSI {  761}
   (( segid "A   " and resid 77   and name HN  ))
   (  segid "A   " and resid 76   and name HG2%)
      2.700     0.900     0.900 {peak   761 spectrum    1 weight  0.10000E+01 volume  0.20489E-02 ppm1      8.775 ppm2      1.142 CV     1}
 ASSI {  762}
   (( segid "A   " and resid 77   and name HN  ))
   (  segid "A   " and resid 77   and name HG2%)
      3.000     1.200     1.200 {peak   762 spectrum    1 weight  0.10000E+01 volume  0.11065E-02 ppm1      8.774 ppm2      1.474 CV     1}
 ASSI {  763}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 84   and name HB2 ))
      3.300     1.400     1.400 {peak   763 spectrum    1 weight  0.10000E+01 volume  0.68378E-03 ppm1      8.775 ppm2      2.014 CV     1}
 ASSI {  764}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 76   and name HB  ))
      3.200     1.300     1.300 {peak   764 spectrum    1 weight  0.10000E+01 volume  0.81308E-03 ppm1      8.775 ppm2      4.348 CV     1}
 ASSI {  765}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 77   and name HA  ))
      3.300     1.400     1.400 {peak   765 spectrum    1 weight  0.10000E+01 volume  0.65644E-03 ppm1      8.776 ppm2      4.883 CV     1}
 ASSI {  767}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 86   and name HD22))
      3.100     1.200     1.200 {peak   767 spectrum    1 weight  0.10000E+01 volume  0.10493E-02 ppm1      8.775 ppm2      6.746 CV     1}
 ASSI {  768}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 11   and name HN  ))
      3.700     1.700     1.700 {peak   768 spectrum    1 weight  0.10000E+01 volume  0.37049E-03 ppm1      8.776 ppm2      7.061 CV     1}
 ASSI {  769}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 86   and name HN  ))
      4.100     2.100     1.900 {peak   769 spectrum    1 weight  0.10000E+01 volume  0.19644E-03 ppm1      8.776 ppm2      8.190 CV     1}
 ASSI {  770}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 77   and name HN  ))
      3.500     1.500     1.500 {peak   770 spectrum    1 weight  0.10000E+01 volume  0.46498E-03 ppm1      8.505 ppm2      8.804 CV     1}
 ASSI {  771}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 11   and name HN  ))
      3.700     1.700     1.700 {peak   771 spectrum    1 weight  0.10000E+01 volume  0.36552E-03 ppm1      8.504 ppm2      7.071 CV     1}
 ASSI {  772}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 11   and name HD21))
      6.000     4.700     0.000 {peak   772 spectrum    1 weight  0.10000E+01 volume  0.16684E-04 ppm1      8.505 ppm2      6.788 CV     1}
 ASSI {  774}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 78   and name HA  ))
      3.100     1.200     1.200 {peak   774 spectrum    1 weight  0.10000E+01 volume  0.95233E-03 ppm1      8.506 ppm2      5.348 CV     1}
 ASSI {  776}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 79   and name HA  ))
      2.400     2.400     3.600 {peak   776 spectrum    1 weight  0.10000E+01 volume  0.50476E-02 ppm1      8.505 ppm2      4.672 CV     1}
 ASSI {  777}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 11   and name HA  ))
      2.500     2.500     3.500 {peak   777 spectrum    1 weight  0.10000E+01 volume  0.37049E-02 ppm1      8.505 ppm2      4.495 CV     1}
 ASSI {  778}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 10   and name HB1 ))
      3.300     1.300     1.300 {peak   778 spectrum    1 weight  0.10000E+01 volume  0.71362E-03 ppm1      8.505 ppm2      2.081 CV     1}
 ASSI {  779}
   (( segid "A   " and resid 78   and name HN  ))
   (  segid "A   " and resid 78   and name HB% )
      2.400     0.700     0.700 {peak   779 spectrum    1 weight  0.10000E+01 volume  0.45503E-02 ppm1      8.504 ppm2      1.283 CV     1}
 ASSI {  780}
   (( segid "A   " and resid 78   and name HN  ))
   (  segid "A   " and resid 83   and name HG1%)
      3.600     1.700     1.700 {peak   780 spectrum    1 weight  0.10000E+01 volume  0.38043E-03 ppm1      8.509 ppm2      0.710 CV     1}
 OR {  780}
   (( segid "A   " and resid 78   and name HN  ))
   (  segid "A   " and resid 83   and name HG2%)
 ASSI {  781}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 10   and name HB2 ))
      3.600     1.600     1.600 {peak   781 spectrum    1 weight  0.10000E+01 volume  0.39038E-03 ppm1      8.506 ppm2      1.919 CV     1}
 ASSI {  782}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 82   and name HN  ))
      2.800     1.000     1.000 {peak   782 spectrum    1 weight  0.10000E+01 volume  0.16535E-02 ppm1      8.778 ppm2      7.894 CV     1}
 ASSI {  783}
   (( segid "A   " and resid 79   and name HN  ))
   (  segid "A   " and resid 79   and name HD% )
      3.700     1.700     1.700 {peak   783 spectrum    1 weight  0.10000E+01 volume  0.34314E-03 ppm1      8.778 ppm2      7.233 CV     1}
 ASSI {  784}
   (( segid "A   " and resid 79   and name HN  ))
   (  segid "A   " and resid 79   and name HE% )
      4.300     4.300     1.700 {peak   784 spectrum    1 weight  0.10000E+01 volume  0.14347E-03 ppm1      8.775 ppm2      7.105 CV     1}
 ASSI {  786}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 79   and name HA  ))
      3.000     1.100     1.100 {peak   786 spectrum    1 weight  0.10000E+01 volume  0.12209E-02 ppm1      8.775 ppm2      4.728 CV     1}
 ASSI {  787}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 83   and name HA  ))
      3.300     1.400     1.400 {peak   787 spectrum    1 weight  0.10000E+01 volume  0.65893E-03 ppm1      8.777 ppm2      4.213 CV     1}
 ASSI {  788}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 79   and name HB2 ))
      3.200     1.300     1.300 {peak   788 spectrum    1 weight  0.10000E+01 volume  0.79568E-03 ppm1      8.777 ppm2      3.017 CV     1}
 ASSI {  789}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 79   and name HB1 ))
      3.200     1.300     1.300 {peak   789 spectrum    1 weight  0.10000E+01 volume  0.85785E-03 ppm1      8.777 ppm2      2.718 CV     1}
 ASSI {  790}
   (( segid "A   " and resid 79   and name HN  ))
   (  segid "A   " and resid 78   and name HB% )
      2.900     1.000     1.000 {peak   790 spectrum    1 weight  0.10000E+01 volume  0.15665E-02 ppm1      8.777 ppm2      1.281 CV     1}
 ASSI {  791}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 80   and name HG2 ))
      4.400     2.500     1.600 {peak   791 spectrum    1 weight  0.10000E+01 volume  0.11537E-03 ppm1      8.778 ppm2      0.673 CV     1}
 ASSI {  792}
   (( segid "A   " and resid 81   and name HN  ))
   (( segid "A   " and resid 82   and name HN  ))
      3.800     1.800     1.800 {peak   792 spectrum    1 weight  0.10000E+01 volume  0.27351E-03 ppm1      8.408 ppm2      7.892 CV     1}
 ASSI {  793}
   (( segid "A   " and resid 81   and name HN  ))
   (( segid "A   " and resid 83   and name HA  ))
      5.500     5.500     0.500 {peak   793 spectrum    1 weight  0.10000E+01 volume  0.30584E-04 ppm1      8.407 ppm2      4.234 CV     1}
 ASSI {  794}
   (( segid "A   " and resid 81   and name HN  ))
   (( segid "A   " and resid 81   and name HA2 ))
      5.200     3.300     0.800 {peak   794 spectrum    1 weight  0.10000E+01 volume  0.46249E-04 ppm1      8.407 ppm2      4.131 CV     1}
 ASSI {  795}
   (( segid "A   " and resid 81   and name HN  ))
   (( segid "A   " and resid 81   and name HA1 ))
      3.700     1.700     1.700 {peak   795 spectrum    1 weight  0.10000E+01 volume  0.33816E-03 ppm1      8.410 ppm2      3.608 CV     1}
 ASSI {  796}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 82   and name HA  ))
      2.900     1.000     1.000 {peak   796 spectrum    1 weight  0.10000E+01 volume  0.14969E-02 ppm1      7.887 ppm2      4.724 CV     1}
 ASSI {  797}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 83   and name HA  ))
      2.800     2.800     3.200 {peak   797 spectrum    1 weight  0.10000E+01 volume  0.18822E-02 ppm1      7.889 ppm2      4.240 CV     1}
 ASSI {  798}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 81   and name HA1 ))
      3.200     1.300     1.300 {peak   798 spectrum    1 weight  0.10000E+01 volume  0.86531E-03 ppm1      7.888 ppm2      3.629 CV     1}
 ASSI {  799}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 80   and name HA  ))
      3.300     1.400     1.400 {peak   799 spectrum    1 weight  0.10000E+01 volume  0.64152E-03 ppm1      7.888 ppm2      3.551 CV     1}
 ASSI {  801}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 80   and name HB2 ))
      2.900     1.000     1.000 {peak   801 spectrum    1 weight  0.10000E+01 volume  0.15590E-02 ppm1      7.887 ppm2      1.304 CV     1}
 ASSI {  802}
   (( segid "A   " and resid 82   and name HN  ))
   (  segid "A   " and resid 83   and name HG2%)
      4.500     2.600     1.500 {peak   802 spectrum    1 weight  0.10000E+01 volume  0.10269E-03 ppm1      7.883 ppm2      0.713 CV     1}
 OR {  802}
   (( segid "A   " and resid 82   and name HN  ))
   (  segid "A   " and resid 83   and name HG1%)
 ASSI {  803}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 80   and name HB1 ))
      4.200     2.200     1.800 {peak   803 spectrum    1 weight  0.10000E+01 volume  0.17107E-03 ppm1      7.880 ppm2      1.742 CV     1}
 ASSI {  805}
   (( segid "A   " and resid 82   and name HE21))
   (( segid "A   " and resid 82   and name HE22))
      2.300     0.600     0.600 {peak   805 spectrum    1 weight  0.10000E+01 volume  0.67633E-02 ppm1      6.838 ppm2      7.110 CV     1}
 ASSI {  806}
   (( segid "A   " and resid 82   and name HE21))
   (( segid "A   " and resid 79   and name HN  ))
      4.100     2.100     1.900 {peak   806 spectrum    1 weight  0.10000E+01 volume  0.18822E-03 ppm1      6.838 ppm2      8.768 CV     1}
 ASSI {  808}
   (( segid "A   " and resid 82   and name HE22))
   (( segid "A   " and resid 84   and name HG1 ))
      3.100     1.200     1.200 {peak   808 spectrum    1 weight  0.10000E+01 volume  0.97973E-03 ppm1      7.109 ppm2      2.134 CV     1}
 OR {  808}
   (( segid "A   " and resid 82   and name HE22))
   (( segid "A   " and resid 84   and name HG2 ))
 ASSI {  809}
   (( segid "A   " and resid 82   and name HE22))
   (( segid "A   " and resid 84   and name HB1 ))
      4.000     2.000     2.000 {peak   809 spectrum    1 weight  0.10000E+01 volume  0.20788E-03 ppm1      7.107 ppm2      1.831 CV     1}
 ASSI {  810}
   (( segid "A   " and resid 82   and name HE22))
   (( segid "A   " and resid 52   and name HD1 ))
      5.300     3.500     0.700 {peak   810 spectrum    1 weight  0.10000E+01 volume  0.40779E-04 ppm1      7.111 ppm2      1.592 CV     1}
 OR {  810}
   (( segid "A   " and resid 82   and name HE22))
   (( segid "A   " and resid 52   and name HD2 ))
 ASSI {  811}
   (( segid "A   " and resid 82   and name HE22))
   (( segid "A   " and resid 79   and name HN  ))
      5.000     3.200     1.000 {peak   811 spectrum    1 weight  0.10000E+01 volume  0.53460E-04 ppm1      7.105 ppm2      8.698 CV     1}
 ASSI {  812}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 84   and name HN  ))
      3.400     1.400     1.400 {peak   812 spectrum    1 weight  0.10000E+01 volume  0.61168E-03 ppm1      8.032 ppm2      8.642 CV     1}
 ASSI {  813}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 83   and name HA  ))
      2.700     0.900     0.900 {peak   813 spectrum    1 weight  0.10000E+01 volume  0.22353E-02 ppm1      8.032 ppm2      4.228 CV     1}
 ASSI {  814}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 113  and name HA  ))
      2.900     1.100     1.100 {peak   814 spectrum    1 weight  0.10000E+01 volume  0.14646E-02 ppm1      8.029 ppm2      4.689 CV     1}
 ASSI {  815}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 82   and name HA  ))
      2.100     0.600     0.600 {peak   815 spectrum    1 weight  0.10000E+01 volume  0.90760E-02 ppm1      8.029 ppm2      4.778 CV     1}
 ASSI {  816}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 112  and name HD2 ))
      4.000     2.000     2.000 {peak   816 spectrum    1 weight  0.10000E+01 volume  0.23174E-03 ppm1      8.031 ppm2      3.629 CV     1}
 ASSI {  817}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 82   and name HB2 ))
      2.500     0.800     0.800 {peak   817 spectrum    1 weight  0.10000E+01 volume  0.39784E-02 ppm1      8.030 ppm2      2.112 CV     1}
 ASSI {  818}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 82   and name HB1 ))
      2.600     2.600     3.400 {peak   818 spectrum    1 weight  0.10000E+01 volume  0.27351E-02 ppm1      8.030 ppm2      2.273 CV     1}
 ASSI {  819}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 83   and name HB  ))
      2.200     0.600     0.600 {peak   819 spectrum    1 weight  0.10000E+01 volume  0.68130E-02 ppm1      8.030 ppm2      1.772 CV     1}
 ASSI {  820}
   (( segid "A   " and resid 83   and name HN  ))
   (  segid "A   " and resid 113  and name HG2%)
      2.900     1.100     1.100 {peak   820 spectrum    1 weight  0.10000E+01 volume  0.13651E-02 ppm1      8.031 ppm2      1.267 CV     1}
 ASSI {  821}
   (( segid "A   " and resid 83   and name HN  ))
   (  segid "A   " and resid 83   and name HG2%)
      2.400     0.700     0.700 {peak   821 spectrum    1 weight  0.10000E+01 volume  0.41524E-02 ppm1      8.028 ppm2      0.674 CV     1}
 OR {  821}
   (( segid "A   " and resid 83   and name HN  ))
   (  segid "A   " and resid 83   and name HG1%)
 ASSI {  822}
   (( segid "A   " and resid 84   and name HN  ))
   (  segid "A   " and resid 83   and name HG1%)
      2.900     1.100     1.100 {peak   822 spectrum    1 weight  0.10000E+01 volume  0.13551E-02 ppm1      8.644 ppm2      0.651 CV     1}
 ASSI {  823}
   (( segid "A   " and resid 84   and name HN  ))
   (  segid "A   " and resid 76   and name HG2%)
      2.700     0.900     0.900 {peak   823 spectrum    1 weight  0.10000E+01 volume  0.22428E-02 ppm1      8.642 ppm2      1.164 CV     1}
 ASSI {  824}
   (( segid "A   " and resid 84   and name HN  ))
   (( segid "A   " and resid 84   and name HB1 ))
      2.700     0.900     0.900 {peak   824 spectrum    1 weight  0.10000E+01 volume  0.24219E-02 ppm1      8.643 ppm2      1.838 CV     1}
 ASSI {  825}
   (( segid "A   " and resid 84   and name HN  ))
   (( segid "A   " and resid 84   and name HB2 ))
      2.400     0.700     0.700 {peak   825 spectrum    1 weight  0.10000E+01 volume  0.44260E-02 ppm1      8.643 ppm2      2.066 CV     1}
 ASSI {  827}
   (( segid "A   " and resid 84   and name HN  ))
   (( segid "A   " and resid 84   and name HA  ))
      2.700     0.900     0.900 {peak   827 spectrum    1 weight  0.10000E+01 volume  0.23448E-02 ppm1      8.642 ppm2      4.740 CV     1}
 ASSI {  828}
   (( segid "A   " and resid 84   and name HN  ))
   (( segid "A   " and resid 78   and name HA  ))
      2.900     1.100     1.100 {peak   828 spectrum    1 weight  0.10000E+01 volume  0.14173E-02 ppm1      8.642 ppm2      5.295 CV     1}
 ASSI {  829}
   (( segid "A   " and resid 84   and name HN  ))
   (( segid "A   " and resid 86   and name HD21))
      4.300     2.300     1.700 {peak   829 spectrum    1 weight  0.10000E+01 volume  0.13403E-03 ppm1      8.644 ppm2      5.715 CV     1}
 ASSI {  830}
   (( segid "A   " and resid 84   and name HN  ))
   (( segid "A   " and resid 76   and name HA  ))
      3.700     1.700     1.700 {peak   830 spectrum    1 weight  0.10000E+01 volume  0.36303E-03 ppm1      8.644 ppm2      5.835 CV     1}
 ASSI {  831}
   (( segid "A   " and resid 84   and name HN  ))
   (( segid "A   " and resid 86   and name HD22))
      4.100     2.100     1.900 {peak   831 spectrum    1 weight  0.10000E+01 volume  0.18325E-03 ppm1      8.643 ppm2      6.773 CV     1}
 ASSI {  832}
   (( segid "A   " and resid 84   and name HN  ))
   (( segid "A   " and resid 11   and name HN  ))
      4.600     2.600     1.400 {peak   832 spectrum    1 weight  0.10000E+01 volume  0.95977E-04 ppm1      8.639 ppm2      7.068 CV     1}
 ASSI {  834}
   (( segid "A   " and resid 84   and name HN  ))
   (( segid "A   " and resid 77   and name HN  ))
      3.400     1.400     1.400 {peak   834 spectrum    1 weight  0.10000E+01 volume  0.58682E-03 ppm1      8.643 ppm2      8.832 CV     1}
 ASSI {  835}
   (( segid "A   " and resid 84   and name HE21))
   (( segid "A   " and resid 84   and name HE22))
      2.700     0.900     0.900 {peak   835 spectrum    1 weight  0.10000E+01 volume  0.25114E-02 ppm1      6.784 ppm2      7.399 CV     1}
 ASSI {  836}
   (( segid "A   " and resid 84   and name HE21))
   (( segid "A   " and resid 84   and name HG2 ))
      4.600     2.600     1.400 {peak   836 spectrum    1 weight  0.10000E+01 volume  0.93491E-04 ppm1      6.786 ppm2      2.147 CV     1}
 OR {  836}
   (( segid "A   " and resid 84   and name HE21))
   (( segid "A   " and resid 84   and name HG1 ))
 ASSI {  837}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 53   and name HA  ))
      3.000     1.100     1.100 {peak   837 spectrum    1 weight  0.10000E+01 volume  0.13403E-02 ppm1      8.930 ppm2      5.095 CV     1}
 ASSI {  838}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 52   and name HA  ))
      2.300     2.300     3.700 {peak   838 spectrum    1 weight  0.10000E+01 volume  0.55449E-02 ppm1      8.929 ppm2      4.688 CV     1}
 ASSI {  839}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 84   and name HA  ))
      2.400     0.700     0.700 {peak   839 spectrum    1 weight  0.10000E+01 volume  0.44508E-02 ppm1      8.929 ppm2      4.778 CV     1}
 ASSI {  840}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 86   and name HD21))
      5.200     3.400     0.800 {peak   840 spectrum    1 weight  0.10000E+01 volume  0.45005E-04 ppm1      8.929 ppm2      5.706 CV     1}
 ASSI {  841}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 86   and name HD22))
      4.900     3.100     1.100 {peak   841 spectrum    1 weight  0.10000E+01 volume  0.60422E-04 ppm1      8.927 ppm2      6.752 CV     1}
 ASSI {  842}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 86   and name HN  ))
      3.900     1.900     1.900 {peak   842 spectrum    1 weight  0.10000E+01 volume  0.23473E-03 ppm1      8.933 ppm2      8.219 CV     1}
 ASSI {  844}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 84   and name HB2 ))
      3.000     1.100     1.100 {peak   844 spectrum    1 weight  0.10000E+01 volume  0.11537E-02 ppm1      8.929 ppm2      1.990 CV     1}
 ASSI {  845}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 85   and name HB1 ))
      2.500     0.800     0.800 {peak   845 spectrum    1 weight  0.10000E+01 volume  0.37297E-02 ppm1      8.930 ppm2      1.571 CV     1}
 ASSI {  846}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 85   and name HB2 ))
      2.200     0.600     0.600 {peak   846 spectrum    1 weight  0.10000E+01 volume  0.76833E-02 ppm1      8.930 ppm2      1.104 CV     1}
 ASSI {  847}
   (( segid "A   " and resid 85   and name HN  ))
   (  segid "A   " and resid 85   and name HD2%)
      2.400     2.400     3.600 {peak   847 spectrum    1 weight  0.10000E+01 volume  0.45255E-02 ppm1      8.930 ppm2      0.579 CV     1}
 ASSI {  848}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 56   and name HE1 ))
      4.300     2.300     1.700 {peak   848 spectrum    1 weight  0.10000E+01 volume  0.14397E-03 ppm1      8.223 ppm2     10.099 CV     1}
 ASSI {  850}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 74   and name HN  ))
      3.300     3.300     2.700 {peak   850 spectrum    1 weight  0.10000E+01 volume  0.70865E-03 ppm1      8.223 ppm2      8.957 CV     1}
 ASSI {  851}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 54   and name HN  ))
      3.400     1.500     1.500 {peak   851 spectrum    1 weight  0.10000E+01 volume  0.53211E-03 ppm1      8.222 ppm2      8.753 CV     1}
 ASSI {  853}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 86   and name HD22))
      2.800     1.000     1.000 {peak   853 spectrum    1 weight  0.10000E+01 volume  0.18997E-02 ppm1      8.223 ppm2      6.748 CV     1}
 ASSI {  855}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 86   and name HD21))
      2.600     0.800     0.800 {peak   855 spectrum    1 weight  0.10000E+01 volume  0.28844E-02 ppm1      8.223 ppm2      5.705 CV     1}
 ASSI {  856}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 86   and name HA  ))
      2.900     1.000     1.000 {peak   856 spectrum    1 weight  0.10000E+01 volume  0.15839E-02 ppm1      8.224 ppm2      5.277 CV     1}
 ASSI {  857}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 87   and name HA  ))
      3.700     1.700     1.700 {peak   857 spectrum    1 weight  0.10000E+01 volume  0.35557E-03 ppm1      8.222 ppm2      4.915 CV     1}
 ASSI {  858}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 85   and name HA  ))
      2.200     0.600     0.600 {peak   858 spectrum    1 weight  0.10000E+01 volume  0.74098E-02 ppm1      8.223 ppm2      4.570 CV     1}
 ASSI {  859}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 54   and name HB  ))
      6.000     4.500     0.000 {peak   859 spectrum    1 weight  0.10000E+01 volume  0.19345E-04 ppm1      8.226 ppm2      3.798 CV     1}
 ASSI {  860}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 85   and name HB1 ))
      3.900     1.900     1.900 {peak   860 spectrum    1 weight  0.10000E+01 volume  0.23771E-03 ppm1      8.226 ppm2      1.597 CV     1}
 ASSI {  862}
   (( segid "A   " and resid 86   and name HN  ))
   (  segid "A   " and resid 85   and name HD2%)
      2.200     0.600     0.600 {peak   862 spectrum    1 weight  0.10000E+01 volume  0.83298E-02 ppm1      8.223 ppm2      0.556 CV     1}
 ASSI {  863}
   (( segid "A   " and resid 86   and name HD21))
   (( segid "A   " and resid 85   and name HA  ))
      3.200     1.300     1.300 {peak   863 spectrum    1 weight  0.10000E+01 volume  0.83298E-03 ppm1      5.697 ppm2      4.524 CV     1}
 ASSI {  864}
   (( segid "A   " and resid 86   and name HD21))
   (( segid "A   " and resid 76   and name HA  ))
      3.900     1.900     1.900 {peak   864 spectrum    1 weight  0.10000E+01 volume  0.24417E-03 ppm1      5.699 ppm2      5.893 CV     1}
 ASSI {  865}
   (( segid "A   " and resid 86   and name HD21))
   (( segid "A   " and resid 86   and name HA  ))
      4.600     2.700     1.400 {peak   865 spectrum    1 weight  0.10000E+01 volume  0.91259E-04 ppm1      5.693 ppm2      5.322 CV     1}
 ASSI {  866}
   (( segid "A   " and resid 86   and name HD21))
   (( segid "A   " and resid 77   and name HA  ))
      5.400     3.700     0.600 {peak   866 spectrum    1 weight  0.10000E+01 volume  0.35059E-04 ppm1      5.697 ppm2      4.918 CV     1}
 ASSI {  867}
   (( segid "A   " and resid 86   and name HD21))
   (( segid "A   " and resid 86   and name HD22))
      2.300     0.700     0.700 {peak   867 spectrum    1 weight  0.10000E+01 volume  0.61665E-02 ppm1      5.697 ppm2      6.739 CV     1}
 ASSI {  869}
   (( segid "A   " and resid 86   and name HD21))
   (( segid "A   " and resid 75   and name HN  ))
      2.500     2.500     3.500 {peak   869 spectrum    1 weight  0.10000E+01 volume  0.37297E-02 ppm1      5.695 ppm2      7.946 CV     1}
 ASSI {  870}
   (( segid "A   " and resid 86   and name HD21))
   (( segid "A   " and resid 77   and name HN  ))
      3.300     1.400     1.400 {peak   870 spectrum    1 weight  0.10000E+01 volume  0.68627E-03 ppm1      5.696 ppm2      8.771 CV     1}
 ASSI {  876}
   (( segid "A   " and resid 86   and name HD22))
   (( segid "A   " and resid 85   and name HA  ))
      5.200     3.400     0.800 {peak   876 spectrum    1 weight  0.10000E+01 volume  0.43265E-04 ppm1      6.739 ppm2      4.515 CV     1}
 ASSI {  877}
   (( segid "A   " and resid 86   and name HD22))
   (( segid "A   " and resid 77   and name HA  ))
      4.400     2.400     1.600 {peak   877 spectrum    1 weight  0.10000E+01 volume  0.12681E-03 ppm1      6.736 ppm2      4.918 CV     1}
 ASSI {  878}
   (( segid "A   " and resid 86   and name HD22))
   (( segid "A   " and resid 75   and name HE1 ))
      4.200     2.200     1.800 {peak   878 spectrum    1 weight  0.10000E+01 volume  0.16137E-03 ppm1      6.742 ppm2      9.700 CV     1}
 ASSI {  879}
   (( segid "A   " and resid 86   and name HD22))
   (( segid "A   " and resid 84   and name HG2 ))
      4.000     2.000     2.000 {peak   879 spectrum    1 weight  0.10000E+01 volume  0.23125E-03 ppm1      6.739 ppm2      2.112 CV     1}
 OR {  879}
   (( segid "A   " and resid 86   and name HD22))
   (( segid "A   " and resid 84   and name HG1 ))
 ASSI {  880}
   (( segid "A   " and resid 86   and name HD22))
   (  segid "A   " and resid 77   and name HG2%)
      3.000     1.100     1.100 {peak   880 spectrum    1 weight  0.10000E+01 volume  0.12308E-02 ppm1      6.738 ppm2      1.456 CV     1}
 ASSI {  881}
   (( segid "A   " and resid 86   and name HD22))
   (( segid "A   " and resid 86   and name HB1 ))
      3.500     1.600     1.600 {peak   881 spectrum    1 weight  0.10000E+01 volume  0.45005E-03 ppm1      6.744 ppm2      0.973 CV     1}
 ASSI {  882}
   (( segid "A   " and resid 86   and name HD22))
   (( segid "A   " and resid 85   and name HB2 ))
      6.000     6.000     0.000 {peak   882 spectrum    1 weight  0.10000E+01 volume  0.67384E-05 ppm1      6.744 ppm2      1.143 CV     1}
 ASSI {  883}
   (( segid "A   " and resid 86   and name HD22))
   (( segid "A   " and resid 86   and name HB2 ))
      3.400     1.400     1.400 {peak   883 spectrum    1 weight  0.10000E+01 volume  0.58682E-03 ppm1      6.743 ppm2      0.490 CV     1}
 ASSI {  885}
   (( segid "A   " and resid 87   and name HN  ))
   (( segid "A   " and resid 55   and name HN  ))
      3.200     1.300     1.300 {peak   885 spectrum    1 weight  0.10000E+01 volume  0.85785E-03 ppm1      8.438 ppm2      8.732 CV     1}
 ASSI {  887}
   (( segid "A   " and resid 87   and name HN  ))
   (( segid "A   " and resid 75   and name HZ2 ))
      2.800     2.800     3.200 {peak   887 spectrum    1 weight  0.10000E+01 volume  0.16784E-02 ppm1      8.437 ppm2      6.813 CV     1}
 ASSI {  888}
   (( segid "A   " and resid 87   and name HN  ))
   (( segid "A   " and resid 55   and name HA  ))
      2.800     1.000     1.000 {peak   888 spectrum    1 weight  0.10000E+01 volume  0.18226E-02 ppm1      8.437 ppm2      4.553 CV     1}
 ASSI {  889}
   (( segid "A   " and resid 87   and name HN  ))
   (( segid "A   " and resid 88   and name HA1 ))
      2.400     2.400     3.600 {peak   889 spectrum    1 weight  0.10000E+01 volume  0.41773E-02 ppm1      8.438 ppm2      5.264 CV     1}
 ASSI {  891}
   (( segid "A   " and resid 87   and name HN  ))
   (( segid "A   " and resid 54   and name HB  ))
      4.200     2.200     1.800 {peak   891 spectrum    1 weight  0.10000E+01 volume  0.16784E-03 ppm1      8.442 ppm2      3.829 CV     1}
 ASSI {  892}
   (( segid "A   " and resid 87   and name HN  ))
   (( segid "A   " and resid 56   and name HB1 ))
      5.200     3.300     0.800 {peak   892 spectrum    1 weight  0.10000E+01 volume  0.46249E-04 ppm1      8.443 ppm2      3.506 CV     1}
 ASSI {  893}
   (( segid "A   " and resid 87   and name HN  ))
   (( segid "A   " and resid 55   and name HB2 ))
      3.500     3.500     2.500 {peak   893 spectrum    1 weight  0.10000E+01 volume  0.46746E-03 ppm1      8.438 ppm2      1.910 CV     1}
 ASSI {  894}
   (( segid "A   " and resid 87   and name HN  ))
   (  segid "A   " and resid 87   and name HB% )
      2.200     0.600     0.600 {peak   894 spectrum    1 weight  0.10000E+01 volume  0.70368E-02 ppm1      8.437 ppm2      0.995 CV     1}
 ASSI {  895}
   (( segid "A   " and resid 87   and name HN  ))
   (( segid "A   " and resid 55   and name HG  ))
      3.200     3.200     2.800 {peak   895 spectrum    1 weight  0.10000E+01 volume  0.78573E-03 ppm1      8.437 ppm2      1.212 CV     1}
 ASSI {  896}
   (( segid "A   " and resid 87   and name HN  ))
   (  segid "A   " and resid 53   and name HD2%)
      2.300     2.300     3.700 {peak   896 spectrum    1 weight  0.10000E+01 volume  0.53708E-02 ppm1      8.437 ppm2      0.489 CV     1}
 ASSI {  897}
   (( segid "A   " and resid 88   and name HN  ))
   (( segid "A   " and resid 90   and name HE1 ))
      4.600     2.700     1.400 {peak   897 spectrum    1 weight  0.10000E+01 volume  0.92003E-04 ppm1      8.261 ppm2      2.906 CV     1}
 OR {  897}
   (( segid "A   " and resid 88   and name HN  ))
   (( segid "A   " and resid 90   and name HE2 ))
 ASSI {  898}
   (( segid "A   " and resid 88   and name HN  ))
   (( segid "A   " and resid 56   and name HB1 ))
      4.700     2.800     1.300 {peak   898 spectrum    1 weight  0.10000E+01 volume  0.82552E-04 ppm1      8.262 ppm2      3.503 CV     1}
 ASSI {  899}
   (( segid "A   " and resid 88   and name HN  ))
   (( segid "A   " and resid 91   and name HB  ))
      2.500     0.800     0.800 {peak   899 spectrum    1 weight  0.10000E+01 volume  0.33319E-02 ppm1      8.260 ppm2      4.185 CV     1}
 ASSI {  900}
   (( segid "A   " and resid 88   and name HN  ))
   (( segid "A   " and resid 87   and name HA  ))
      2.100     0.600     0.600 {peak   900 spectrum    1 weight  0.10000E+01 volume  0.10269E-01 ppm1      8.262 ppm2      4.886 CV     1}
 ASSI {  901}
   (( segid "A   " and resid 88   and name HN  ))
   (( segid "A   " and resid 88   and name HA1 ))
      3.000     1.100     1.100 {peak   901 spectrum    1 weight  0.10000E+01 volume  0.12159E-02 ppm1      8.260 ppm2      5.215 CV     1}
 ASSI {  903}
   (( segid "A   " and resid 88   and name HN  ))
   (( segid "A   " and resid 75   and name HE3 ))
      4.100     2.100     1.900 {peak   903 spectrum    1 weight  0.10000E+01 volume  0.18325E-03 ppm1      8.260 ppm2      7.441 CV     1}
 ASSI {  904}
   (( segid "A   " and resid 88   and name HN  ))
   (( segid "A   " and resid 90   and name HN  ))
      4.500     2.600     1.500 {peak   904 spectrum    1 weight  0.10000E+01 volume  0.10020E-03 ppm1      8.259 ppm2      9.145 CV     1}
 ASSI {  905}
   (( segid "A   " and resid 88   and name HN  ))
   (( segid "A   " and resid 75   and name HE1 ))
      5.300     5.300     0.700 {peak   905 spectrum    1 weight  0.10000E+01 volume  0.39287E-04 ppm1      8.263 ppm2      9.729 CV     1}
 ASSI {  906}
   (( segid "A   " and resid 91   and name HN  ))
   (( segid "A   " and resid 92   and name HN  ))
      3.400     1.400     1.400 {peak   906 spectrum    1 weight  0.10000E+01 volume  0.58931E-03 ppm1      8.353 ppm2      9.152 CV     1}
 ASSI {  907}
   (( segid "A   " and resid 91   and name HN  ))
   (( segid "A   " and resid 75   and name HZ3 ))
      4.000     2.000     2.000 {peak   907 spectrum    1 weight  0.10000E+01 volume  0.21558E-03 ppm1      8.355 ppm2      6.773 CV     1}
 ASSI {  908}
   (( segid "A   " and resid 91   and name HN  ))
   (( segid "A   " and resid 87   and name HA  ))
      2.100     2.100     3.900 {peak   908 spectrum    1 weight  0.10000E+01 volume  0.90012E-02 ppm1      8.357 ppm2      4.906 CV     1}
 ASSI {  909}
   (( segid "A   " and resid 91   and name HN  ))
   (( segid "A   " and resid 90   and name HA  ))
      3.000     1.100     1.100 {peak   909 spectrum    1 weight  0.10000E+01 volume  0.12010E-02 ppm1      8.357 ppm2      4.687 CV     1}
 ASSI {  910}
   (( segid "A   " and resid 91   and name HN  ))
   (( segid "A   " and resid 89   and name HA  ))
      2.300     2.300     3.700 {peak   910 spectrum    1 weight  0.10000E+01 volume  0.67384E-02 ppm1      8.355 ppm2      4.116 CV     1}
 ASSI {  911}
   (( segid "A   " and resid 91   and name HN  ))
   (( segid "A   " and resid 90   and name HE1 ))
      4.100     2.100     1.900 {peak   911 spectrum    1 weight  0.10000E+01 volume  0.18649E-03 ppm1      8.353 ppm2      2.899 CV     1}
 OR {  911}
   (( segid "A   " and resid 91   and name HN  ))
   (( segid "A   " and resid 90   and name HE2 ))
 ASSI {  912}
   (( segid "A   " and resid 91   and name HN  ))
   (( segid "A   " and resid 92   and name HB2 ))
      4.000     2.000     2.000 {peak   912 spectrum    1 weight  0.10000E+01 volume  0.21459E-03 ppm1      8.352 ppm2      1.865 CV     1}
 ASSI {  913}
   (( segid "A   " and resid 91   and name HN  ))
   (( segid "A   " and resid 90   and name HG1 ))
      3.400     1.500     1.500 {peak   913 spectrum    1 weight  0.10000E+01 volume  0.52963E-03 ppm1      8.355 ppm2      1.633 CV     1}
 ASSI {  914}
   (( segid "A   " and resid 91   and name HN  ))
   (  segid "A   " and resid 91   and name HG2%)
      2.700     2.700     3.300 {peak   914 spectrum    1 weight  0.10000E+01 volume  0.21558E-02 ppm1      8.353 ppm2      1.125 CV     1}
 ASSI {  915}
   (( segid "A   " and resid 93   and name HN  ))
   (  segid "A   " and resid 93   and name HD1%)
      3.400     1.400     1.400 {peak   915 spectrum    1 weight  0.10000E+01 volume  0.58432E-03 ppm1      8.387 ppm2      0.261 CV     1}
 ASSI {  916}
   (( segid "A   " and resid 93   and name HN  ))
   (( segid "A   " and resid 93   and name HG12))
      2.700     0.900     0.900 {peak   916 spectrum    1 weight  0.10000E+01 volume  0.25114E-02 ppm1      8.389 ppm2      1.095 CV     1}
 ASSI {  917}
   (( segid "A   " and resid 93   and name HN  ))
   (( segid "A   " and resid 93   and name HG11))
      2.500     0.800     0.800 {peak   917 spectrum    1 weight  0.10000E+01 volume  0.36552E-02 ppm1      8.389 ppm2      0.615 CV     1}
 ASSI {  921}
   (( segid "A   " and resid 94   and name HN  ))
   (( segid "A   " and resid 93   and name HA  ))
      2.000     0.500     0.500 {peak   921 spectrum    1 weight  0.10000E+01 volume  0.12259E-01 ppm1      8.691 ppm2      4.805 CV     1}
 ASSI {  922}
   (( segid "A   " and resid 94   and name HN  ))
   (( segid "A   " and resid 70   and name HB1 ))
      5.800     4.300     0.200 {peak   922 spectrum    1 weight  0.10000E+01 volume  0.22353E-04 ppm1      8.691 ppm2      1.746 CV     1}
 ASSI {  923}
   (( segid "A   " and resid 94   and name HN  ))
   (( segid "A   " and resid 71   and name HG12))
      2.400     2.400     3.600 {peak   923 spectrum    1 weight  0.10000E+01 volume  0.43265E-02 ppm1      8.690 ppm2      1.439 CV     1}
 ASSI {  924}
   (( segid "A   " and resid 94   and name HN  ))
   (  segid "A   " and resid 93   and name HG2%)
      2.300     0.700     0.700 {peak   924 spectrum    1 weight  0.10000E+01 volume  0.53211E-02 ppm1      8.690 ppm2      0.588 CV     1}
 ASSI {  926}
   (( segid "A   " and resid 95   and name HN  ))
   (( segid "A   " and resid 95   and name HG1 ))
      3.100     1.200     1.200 {peak   926 spectrum    1 weight  0.10000E+01 volume  0.97474E-03 ppm1      8.581 ppm2      2.374 CV     1}
 ASSI {  927}
   (( segid "A   " and resid 95   and name HN  ))
   (( segid "A   " and resid 95   and name HB1 ))
      2.300     0.700     0.700 {peak   927 spectrum    1 weight  0.10000E+01 volume  0.55449E-02 ppm1      8.581 ppm2      2.026 CV     1}
 ASSI {  929}
   (( segid "A   " and resid 96   and name HN  ))
   (( segid "A   " and resid 70   and name HN  ))
      3.400     1.500     1.500 {peak   929 spectrum    1 weight  0.10000E+01 volume  0.55449E-03 ppm1      8.445 ppm2      9.020 CV     1}
 ASSI {  930}
   (( segid "A   " and resid 96   and name HN  ))
   (( segid "A   " and resid 69   and name HA  ))
      2.600     0.900     0.900 {peak   930 spectrum    1 weight  0.10000E+01 volume  0.28097E-02 ppm1      8.444 ppm2      4.987 CV     1}
 ASSI {  932}
   (( segid "A   " and resid 96   and name HN  ))
   (( segid "A   " and resid 95   and name HA  ))
      2.600     0.900     0.900 {peak   932 spectrum    1 weight  0.10000E+01 volume  0.25860E-02 ppm1      8.444 ppm2      4.305 CV     1}
 ASSI {  933}
   (( segid "A   " and resid 96   and name HN  ))
   (( segid "A   " and resid 97   and name HA  ))
      2.700     2.700     3.300 {peak   933 spectrum    1 weight  0.10000E+01 volume  0.23497E-02 ppm1      8.444 ppm2      4.420 CV     1}
 ASSI {  934}
   (( segid "A   " and resid 96   and name HN  ))
   (( segid "A   " and resid 95   and name HG1 ))
      4.000     2.000     2.000 {peak   934 spectrum    1 weight  0.10000E+01 volume  0.20588E-03 ppm1      8.443 ppm2      2.401 CV     1}
 ASSI {  935}
   (( segid "A   " and resid 96   and name HN  ))
   (( segid "A   " and resid 95   and name HB1 ))
      2.900     1.000     1.000 {peak   935 spectrum    1 weight  0.10000E+01 volume  0.16063E-02 ppm1      8.444 ppm2      2.036 CV     1}
 ASSI {  936}
   (( segid "A   " and resid 96   and name HN  ))
   (( segid "A   " and resid 68   and name HB  ))
      3.400     1.400     1.400 {peak   936 spectrum    1 weight  0.10000E+01 volume  0.62163E-03 ppm1      8.443 ppm2      1.701 CV     1}
 ASSI {  937}
   (( segid "A   " and resid 96   and name HN  ))
   (( segid "A   " and resid 70   and name HB2 ))
      4.500     2.500     1.500 {peak   937 spectrum    1 weight  0.10000E+01 volume  0.10966E-03 ppm1      8.442 ppm2      1.487 CV     1}
 ASSI {  938}
   (( segid "A   " and resid 96   and name HN  ))
   (  segid "A   " and resid 96   and name HB% )
      2.700     0.900     0.900 {peak   938 spectrum    1 weight  0.10000E+01 volume  0.25363E-02 ppm1      8.444 ppm2      1.187 CV     1}
 ASSI {  939}
   (( segid "A   " and resid 96   and name HN  ))
   (  segid "A   " and resid 69   and name HG2%)
      3.600     1.600     1.600 {peak   939 spectrum    1 weight  0.10000E+01 volume  0.41773E-03 ppm1      8.444 ppm2      0.636 CV     1}
 ASSI {  940}
   (( segid "A   " and resid 96   and name HN  ))
   (  segid "A   " and resid 68   and name HG2%)
      4.100     2.100     1.900 {peak   940 spectrum    1 weight  0.10000E+01 volume  0.18201E-03 ppm1      8.440 ppm2     -0.073 CV     1}
 ASSI {  941}
   (( segid "A   " and resid 97   and name HN  ))
   (  segid "A   " and resid 96   and name HB% )
      5.800     4.200     0.200 {peak   941 spectrum    1 weight  0.10000E+01 volume  0.23100E-04 ppm1      8.052 ppm2      1.201 CV     1}
 ASSI {  942}
   (( segid "A   " and resid 98   and name HN  ))
   (( segid "A   " and resid 99   and name HA  ))
      2.500     2.500     3.500 {peak   942 spectrum    1 weight  0.10000E+01 volume  0.32573E-02 ppm1      8.305 ppm2      4.464 CV     1}
 ASSI {  943}
   (( segid "A   " and resid 98   and name HN  ))
   (( segid "A   " and resid 97   and name HB2 ))
      5.100     3.200     0.900 {peak   943 spectrum    1 weight  0.10000E+01 volume  0.51470E-04 ppm1      8.303 ppm2      3.954 CV     1}
 ASSI {  944}
   (( segid "A   " and resid 98   and name HN  ))
   (( segid "A   " and resid 97   and name HB1 ))
      4.900     3.000     1.100 {peak   944 spectrum    1 weight  0.10000E+01 volume  0.64649E-04 ppm1      8.304 ppm2      3.826 CV     1}
 ASSI {  945}
   (( segid "A   " and resid 98   and name HN  ))
   (( segid "A   " and resid 98   and name HA  ))
      2.600     0.800     0.800 {peak   945 spectrum    1 weight  0.10000E+01 volume  0.28844E-02 ppm1      8.304 ppm2      4.328 CV     1}
 ASSI {  946}
   (( segid "A   " and resid 98   and name HN  ))
   (( segid "A   " and resid 98   and name HB2 ))
      3.900     1.900     1.900 {peak   946 spectrum    1 weight  0.10000E+01 volume  0.25114E-03 ppm1      8.304 ppm2      2.062 CV     1}
 ASSI {  947}
   (( segid "A   " and resid 99   and name HN  ))
   (( segid "A   " and resid 99   and name HA  ))
      2.500     0.800     0.800 {peak   947 spectrum    1 weight  0.10000E+01 volume  0.34562E-02 ppm1      8.152 ppm2      4.471 CV     1}
 ASSI {  948}
   (( segid "A   " and resid 99   and name HN  ))
   (( segid "A   " and resid 98   and name HA  ))
      3.100     1.200     1.200 {peak   948 spectrum    1 weight  0.10000E+01 volume  0.92502E-03 ppm1      8.153 ppm2      4.277 CV     1}
 ASSI {  949}
   (( segid "A   " and resid 99   and name HN  ))
   (( segid "A   " and resid 99   and name HB1 ))
      2.700     0.900     0.900 {peak   949 spectrum    1 weight  0.10000E+01 volume  0.25114E-02 ppm1      8.152 ppm2      2.623 CV     1}
 ASSI {  950}
   (( segid "A   " and resid 99   and name HN  ))
   (( segid "A   " and resid 98   and name HB1 ))
      3.800     1.800     1.800 {peak   950 spectrum    1 weight  0.10000E+01 volume  0.28844E-03 ppm1      8.152 ppm2      2.073 CV     1}
 ASSI {  951}
   (( segid "A   " and resid 100  and name HN  ))
   (( segid "A   " and resid 99   and name HA  ))
      2.800     1.000     1.000 {peak   951 spectrum    1 weight  0.10000E+01 volume  0.18748E-02 ppm1      8.660 ppm2      4.478 CV     1}
 ASSI {  952}
   (( segid "A   " and resid 100  and name HN  ))
   (( segid "A   " and resid 97   and name HB1 ))
      4.200     2.200     1.800 {peak   952 spectrum    1 weight  0.10000E+01 volume  0.16784E-03 ppm1      8.663 ppm2      3.892 CV     1}
 ASSI {  953}
   (( segid "A   " and resid 100  and name HN  ))
   (( segid "A   " and resid 100  and name HA1 ))
      3.500     1.500     1.500 {peak   953 spectrum    1 weight  0.10000E+01 volume  0.48984E-03 ppm1      8.659 ppm2      3.736 CV     1}
 ASSI {  954}
   (( segid "A   " and resid 100  and name HN  ))
   (( segid "A   " and resid 99   and name HB2 ))
      6.000     5.500     0.000 {peak   954 spectrum    1 weight  0.10000E+01 volume  0.10219E-04 ppm1      8.659 ppm2      2.597 CV     1}
 ASSI {  955}
   (( segid "A   " and resid 101  and name HN  ))
   (  segid "A   " and resid 101  and name HD% )
      3.200     1.300     1.300 {peak   955 spectrum    1 weight  0.10000E+01 volume  0.82801E-03 ppm1      7.985 ppm2      7.465 CV     1}
 ASSI {  956}
   (( segid "A   " and resid 101  and name HN  ))
   (( segid "A   " and resid 100  and name HN  ))
      3.900     1.900     1.900 {peak   956 spectrum    1 weight  0.10000E+01 volume  0.26606E-03 ppm1      7.985 ppm2      8.661 CV     1}
 ASSI {  957}
   (( segid "A   " and resid 101  and name HN  ))
   (( segid "A   " and resid 99   and name HA  ))
      2.600     2.600     3.400 {peak   957 spectrum    1 weight  0.10000E+01 volume  0.26606E-02 ppm1      7.985 ppm2      4.481 CV     1}
 ASSI {  959}
   (( segid "A   " and resid 101  and name HN  ))
   (( segid "A   " and resid 101  and name HB2 ))
      2.300     0.700     0.700 {peak   959 spectrum    1 weight  0.10000E+01 volume  0.58184E-02 ppm1      7.985 ppm2      2.997 CV     1}
 ASSI {  960}
   (( segid "A   " and resid 101  and name HN  ))
   (( segid "A   " and resid 98   and name HG1 ))
      4.900     3.000     1.100 {peak   960 spectrum    1 weight  0.10000E+01 volume  0.62412E-04 ppm1      7.986 ppm2      2.265 CV     1}
 OR {  960}
   (( segid "A   " and resid 101  and name HN  ))
   (( segid "A   " and resid 98   and name HG2 ))
 ASSI {  961}
   (( segid "A   " and resid 101  and name HN  ))
   (( segid "A   " and resid 98   and name HB1 ))
      4.800     2.800     1.200 {peak   961 spectrum    1 weight  0.10000E+01 volume  0.75092E-04 ppm1      7.985 ppm2      2.082 CV     1}
 ASSI {  962}
   (( segid "A   " and resid 101  and name HN  ))
   (( segid "A   " and resid 102  and name HD2 ))
      4.900     3.000     1.100 {peak   962 spectrum    1 weight  0.10000E+01 volume  0.63655E-04 ppm1      7.987 ppm2      1.778 CV     1}
 ASSI {  963}
   (( segid "A   " and resid 101  and name HN  ))
   (  segid "A   " and resid 68   and name HG2%)
      5.000     3.200     1.000 {peak   963 spectrum    1 weight  0.10000E+01 volume  0.54703E-04 ppm1      7.981 ppm2     -0.069 CV     1}
 ASSI {  964}
   (( segid "A   " and resid 101  and name HN  ))
   (  segid "A   " and resid 68   and name HG1%)
      3.400     1.500     1.500 {peak   964 spectrum    1 weight  0.10000E+01 volume  0.54206E-03 ppm1      7.984 ppm2      0.666 CV     1}
 ASSI {  965}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 67   and name HN  ))
      4.000     2.000     2.000 {peak   965 spectrum    1 weight  0.10000E+01 volume  0.23249E-03 ppm1      8.354 ppm2      7.486 CV     1}
 ASSI {  966}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 69   and name HN  ))
      3.300     1.300     1.300 {peak   966 spectrum    1 weight  0.10000E+01 volume  0.72606E-03 ppm1      8.358 ppm2      8.975 CV     1}
 ASSI {  967}
   (( segid "A   " and resid 68   and name HN  ))
   (  segid "A   " and resid 68   and name HG1%)
      2.500     0.800     0.800 {peak   967 spectrum    1 weight  0.10000E+01 volume  0.34562E-02 ppm1      8.355 ppm2      0.652 CV     1}
 ASSI {  968}
   (( segid "A   " and resid 68   and name HN  ))
   (  segid "A   " and resid 68   and name HG2%)
      3.300     1.400     1.400 {peak   968 spectrum    1 weight  0.10000E+01 volume  0.69622E-03 ppm1      8.355 ppm2     -0.028 CV     1}
 ASSI {  969}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 103  and name HG2 ))
      2.800     1.000     1.000 {peak   969 spectrum    1 weight  0.10000E+01 volume  0.17281E-02 ppm1      9.136 ppm2      2.372 CV     1}
 ASSI {  970}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 103  and name HB1 ))
      3.600     1.600     1.600 {peak   970 spectrum    1 weight  0.10000E+01 volume  0.42768E-03 ppm1      9.136 ppm2      1.938 CV     1}
 ASSI {  972}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 105  and name HB2 ))
      3.100     3.100     2.900 {peak   972 spectrum    1 weight  0.10000E+01 volume  0.92502E-03 ppm1      9.137 ppm2      3.969 CV     1}
 ASSI {  973}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 105  and name HA  ))
      3.800     1.800     1.800 {peak   973 spectrum    1 weight  0.10000E+01 volume  0.29590E-03 ppm1      9.135 ppm2      4.250 CV     1}
 ASSI {  974}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 66   and name HA2 ))
      2.900     2.900     3.100 {peak   974 spectrum    1 weight  0.10000E+01 volume  0.15143E-02 ppm1      9.137 ppm2      4.466 CV     1}
 ASSI {  975}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 105  and name HN  ))
      3.800     1.800     1.800 {peak   975 spectrum    1 weight  0.10000E+01 volume  0.27849E-03 ppm1      9.141 ppm2      7.868 CV     1}
 ASSI {  978}
   (( segid "A   " and resid 105  and name HN  ))
   (( segid "A   " and resid 103  and name HG2 ))
      3.900     1.900     1.900 {peak   978 spectrum    1 weight  0.10000E+01 volume  0.26606E-03 ppm1      7.870 ppm2      2.396 CV     1}
 ASSI {  979}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 107  and name HA  ))
      2.500     2.500     3.500 {peak   979 spectrum    1 weight  0.10000E+01 volume  0.33816E-02 ppm1      7.928 ppm2      4.462 CV     1}
 ASSI {  980}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 104  and name HB1 ))
      3.100     3.100     2.900 {peak   980 spectrum    1 weight  0.10000E+01 volume  0.91504E-03 ppm1      7.925 ppm2      3.872 CV     1}
 OR {  980}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 104  and name HB2 ))
 ASSI {  981}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 107  and name HN  ))
      2.300     0.600     0.600 {peak   981 spectrum    1 weight  0.10000E+01 volume  0.64400E-02 ppm1      7.922 ppm2      7.120 CV     1}
 ASSI {  982}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 106  and name HG2 ))
      2.200     0.600     0.600 {peak   982 spectrum    1 weight  0.10000E+01 volume  0.87276E-02 ppm1      7.925 ppm2      2.330 CV     1}
 OR {  982}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 106  and name HG1 ))
 ASSI {  983}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 107  and name HG11))
      3.500     1.600     1.600 {peak   983 spectrum    1 weight  0.10000E+01 volume  0.44508E-03 ppm1      7.926 ppm2      1.543 CV     1}
 ASSI {  984}
   (( segid "A   " and resid 106  and name HN  ))
   (  segid "A   " and resid 107  and name HG2%)
      3.500     1.600     1.600 {peak   984 spectrum    1 weight  0.10000E+01 volume  0.45752E-03 ppm1      7.927 ppm2      1.138 CV     1}
 ASSI {  985}
   (( segid "A   " and resid 106  and name HN  ))
   (  segid "A   " and resid 107  and name HD1%)
      5.500     3.800     0.500 {peak   985 spectrum    1 weight  0.10000E+01 volume  0.32325E-04 ppm1      7.926 ppm2      0.652 CV     1}
 ASSI {  986}
   (( segid "A   " and resid 106  and name HE21))
   (( segid "A   " and resid 106  and name HG2 ))
      3.800     1.800     1.800 {peak   986 spectrum    1 weight  0.10000E+01 volume  0.28097E-03 ppm1      7.396 ppm2      2.358 CV     1}
 OR {  986}
   (( segid "A   " and resid 106  and name HE21))
   (( segid "A   " and resid 106  and name HG1 ))
 ASSI {  987}
   (( segid "A   " and resid 106  and name HE21))
   (( segid "A   " and resid 106  and name HE22))
      2.300     0.600     0.600 {peak   987 spectrum    1 weight  0.10000E+01 volume  0.64152E-02 ppm1      7.397 ppm2      6.713 CV     1}
 ASSI {  988}
   (( segid "A   " and resid 106  and name HE21))
   (( segid "A   " and resid 103  and name HB1 ))
      4.300     2.300     1.700 {peak   988 spectrum    1 weight  0.10000E+01 volume  0.14695E-03 ppm1      7.397 ppm2      1.953 CV     1}
 ASSI {  989}
   (( segid "A   " and resid 106  and name HE22))
   (( segid "A   " and resid 106  and name HG2 ))
      4.300     2.400     1.700 {peak   989 spectrum    1 weight  0.10000E+01 volume  0.13278E-03 ppm1      6.711 ppm2      2.333 CV     1}
 OR {  989}
   (( segid "A   " and resid 106  and name HE22))
   (( segid "A   " and resid 106  and name HG1 ))
 ASSI {  992}
   (( segid "A   " and resid 107  and name HN  ))
   (( segid "A   " and resid 107  and name HA  ))
      2.300     0.700     0.700 {peak   992 spectrum    1 weight  0.10000E+01 volume  0.54951E-02 ppm1      7.115 ppm2      4.390 CV     1}
 ASSI {  993}
   (( segid "A   " and resid 107  and name HN  ))
   (( segid "A   " and resid 105  and name HB1 ))
      2.700     2.700     3.300 {peak   993 spectrum    1 weight  0.10000E+01 volume  0.22826E-02 ppm1      7.113 ppm2      3.892 CV     1}
 ASSI {  994}
   (( segid "A   " and resid 107  and name HN  ))
   (( segid "A   " and resid 106  and name HG2 ))
      3.100     1.200     1.200 {peak   994 spectrum    1 weight  0.10000E+01 volume  0.99705E-03 ppm1      7.114 ppm2      2.355 CV     1}
 OR {  994}
   (( segid "A   " and resid 107  and name HN  ))
   (( segid "A   " and resid 106  and name HG1 ))
 ASSI {  995}
   (( segid "A   " and resid 107  and name HN  ))
   (( segid "A   " and resid 103  and name HB1 ))
      2.500     2.500     3.500 {peak   995 spectrum    1 weight  0.10000E+01 volume  0.40779E-02 ppm1      7.115 ppm2      1.947 CV     1}
 ASSI {  996}
   (( segid "A   " and resid 107  and name HN  ))
   (( segid "A   " and resid 107  and name HG11))
      2.700     0.900     0.900 {peak   996 spectrum    1 weight  0.10000E+01 volume  0.24144E-02 ppm1      7.115 ppm2      1.510 CV     1}
 ASSI {  998}
   (( segid "A   " and resid 107  and name HN  ))
   (  segid "A   " and resid 107  and name HD1%)
      2.900     1.000     1.000 {peak   998 spectrum    1 weight  0.10000E+01 volume  0.16386E-02 ppm1      7.115 ppm2      0.678 CV     1}
 ASSI {  999}
   (( segid "A   " and resid 109  and name HN  ))
   (( segid "A   " and resid 109  and name HA  ))
      3.600     1.600     1.600 {peak   999 spectrum    1 weight  0.10000E+01 volume  0.40779E-03 ppm1      8.581 ppm2      3.929 CV     1}
 ASSI { 1000}
   (( segid "A   " and resid 109  and name HN  ))
   (( segid "A   " and resid 109  and name HG1 ))
      3.000     1.100     1.100 {peak  1000 spectrum    1 weight  0.10000E+01 volume  0.12806E-02 ppm1      8.580 ppm2      2.227 CV     1}
 ASSI { 1001}
   (( segid "A   " and resid 109  and name HN  ))
   (( segid "A   " and resid 108  and name HB1 ))
      3.100     1.200     1.200 {peak  1001 spectrum    1 weight  0.10000E+01 volume  0.10792E-02 ppm1      8.580 ppm2      1.993 CV     1}
 ASSI { 1002}
   (( segid "A   " and resid 110  and name HN  ))
   (( segid "A   " and resid 109  and name HN  ))
      3.900     1.900     1.900 {peak  1002 spectrum    1 weight  0.10000E+01 volume  0.26854E-03 ppm1      7.680 ppm2      8.558 CV     1}
 ASSI { 1003}
   (( segid "A   " and resid 110  and name HN  ))
   (( segid "A   " and resid 108  and name HA  ))
      2.300     2.300     3.700 {peak  1003 spectrum    1 weight  0.10000E+01 volume  0.54206E-02 ppm1      7.682 ppm2      4.483 CV     1}
 ASSI { 1004}
   (( segid "A   " and resid 110  and name HN  ))
   (( segid "A   " and resid 110  and name HA  ))
      3.800     1.800     1.800 {peak  1004 spectrum    1 weight  0.10000E+01 volume  0.28595E-03 ppm1      7.684 ppm2      4.667 CV     1}
 ASSI { 1005}
   (( segid "A   " and resid 110  and name HN  ))
   (( segid "A   " and resid 109  and name HA  ))
      2.900     1.100     1.100 {peak  1005 spectrum    1 weight  0.10000E+01 volume  0.13651E-02 ppm1      7.682 ppm2      3.933 CV     1}
 ASSI { 1006}
   (( segid "A   " and resid 110  and name HN  ))
   (( segid "A   " and resid 110  and name HB1 ))
      2.700     0.900     0.900 {peak  1006 spectrum    1 weight  0.10000E+01 volume  0.21981E-02 ppm1      7.680 ppm2      2.794 CV     1}
 OR { 1006}
   (( segid "A   " and resid 110  and name HN  ))
   (( segid "A   " and resid 110  and name HB2 ))
 ASSI { 1007}
   (( segid "A   " and resid 110  and name HN  ))
   (( segid "A   " and resid 108  and name HB1 ))
      2.900     1.100     1.100 {peak  1007 spectrum    1 weight  0.10000E+01 volume  0.13551E-02 ppm1      7.682 ppm2      2.031 CV     1}
 ASSI { 1008}
   (( segid "A   " and resid 110  and name HN  ))
   (( segid "A   " and resid 109  and name HG1 ))
      5.800     4.200     0.200 {peak  1008 spectrum    1 weight  0.10000E+01 volume  0.22602E-04 ppm1      7.682 ppm2      2.243 CV     1}
 ASSI { 1009}
   (( segid "A   " and resid 110  and name HD21))
   (( segid "A   " and resid 110  and name HD22))
      2.500     0.800     0.800 {peak  1009 spectrum    1 weight  0.10000E+01 volume  0.32325E-02 ppm1      7.197 ppm2      7.519 CV     1}
 ASSI { 1010}
   (( segid "A   " and resid 110  and name HD21))
   (( segid "A   " and resid 110  and name HB1 ))
      3.700     1.800     1.800 {peak  1010 spectrum    1 weight  0.10000E+01 volume  0.31828E-03 ppm1      7.200 ppm2      2.766 CV     1}
 OR { 1010}
   (( segid "A   " and resid 110  and name HD21))
   (( segid "A   " and resid 110  and name HB2 ))
 ASSI { 1012}
   (( segid "A   " and resid 110  and name HD22))
   (( segid "A   " and resid 110  and name HB1 ))
      3.900     1.900     1.900 {peak  1012 spectrum    1 weight  0.10000E+01 volume  0.27103E-03 ppm1      7.519 ppm2      2.785 CV     1}
 OR { 1012}
   (( segid "A   " and resid 110  and name HD22))
   (( segid "A   " and resid 110  and name HB2 ))
 ASSI { 1013}
   (( segid "A   " and resid 111  and name HN  ))
   (( segid "A   " and resid 111  and name HA  ))
      3.300     1.400     1.400 {peak  1013 spectrum    1 weight  0.10000E+01 volume  0.69374E-03 ppm1      7.933 ppm2      5.596 CV     1}
 ASSI { 1014}
   (( segid "A   " and resid 111  and name HN  ))
   (( segid "A   " and resid 110  and name HA  ))
      2.500     0.800     0.800 {peak  1014 spectrum    1 weight  0.10000E+01 volume  0.39038E-02 ppm1      7.935 ppm2      4.707 CV     1}
 ASSI { 1016}
   (( segid "A   " and resid 111  and name HN  ))
   (( segid "A   " and resid 50   and name HD2 ))
      2.900     2.900     3.100 {peak  1016 spectrum    1 weight  0.10000E+01 volume  0.13700E-02 ppm1      7.936 ppm2      2.798 CV     1}
 ASSI { 1017}
   (( segid "A   " and resid 111  and name HN  ))
   (( segid "A   " and resid 110  and name HB2 ))
      3.200     1.300     1.300 {peak  1017 spectrum    1 weight  0.10000E+01 volume  0.87276E-03 ppm1      7.934 ppm2      2.724 CV     1}
 OR { 1017}
   (( segid "A   " and resid 111  and name HN  ))
   (( segid "A   " and resid 110  and name HB1 ))
 ASSI { 1018}
   (( segid "A   " and resid 111  and name HN  ))
   (( segid "A   " and resid 112  and name HD2 ))
      4.300     2.300     1.700 {peak  1018 spectrum    1 weight  0.10000E+01 volume  0.13327E-03 ppm1      7.933 ppm2      3.650 CV     1}
 ASSI { 1019}
   (( segid "A   " and resid 111  and name HN  ))
   (( segid "A   " and resid 112  and name HG1 ))
      4.800     2.900     1.200 {peak  1019 spectrum    1 weight  0.10000E+01 volume  0.72606E-04 ppm1      7.932 ppm2      2.192 CV     1}
 ASSI { 1020}
   (( segid "A   " and resid 111  and name HN  ))
   (  segid "A   " and resid 111  and name HG2%)
      2.900     1.100     1.100 {peak  1020 spectrum    1 weight  0.10000E+01 volume  0.14745E-02 ppm1      7.934 ppm2      1.347 CV     1}
 ASSI { 1021}
   (( segid "A   " and resid 113  and name HN  ))
   (( segid "A   " and resid 113  and name HA  ))
      2.700     0.900     0.900 {peak  1021 spectrum    1 weight  0.10000E+01 volume  0.25114E-02 ppm1      8.131 ppm2      4.671 CV     1}
 ASSI { 1022}
   (( segid "A   " and resid 113  and name HN  ))
   (( segid "A   " and resid 113  and name HB  ))
      3.900     1.900     1.900 {peak  1022 spectrum    1 weight  0.10000E+01 volume  0.24616E-03 ppm1      8.132 ppm2      4.236 CV     1}
 ASSI { 1023}
   (( segid "A   " and resid 113  and name HN  ))
   (( segid "A   " and resid 112  and name HD2 ))
      5.100     3.300     0.900 {peak  1023 spectrum    1 weight  0.10000E+01 volume  0.49979E-04 ppm1      8.132 ppm2      3.619 CV     1}
 ASSI { 1024}
   (( segid "A   " and resid 113  and name HN  ))
   (( segid "A   " and resid 112  and name HB2 ))
      3.400     1.500     1.500 {peak  1024 spectrum    1 weight  0.10000E+01 volume  0.56195E-03 ppm1      8.131 ppm2      2.399 CV     1}
 ASSI { 1025}
   (( segid "A   " and resid 113  and name HN  ))
   (( segid "A   " and resid 112  and name HG2 ))
      3.900     1.900     1.900 {peak  1025 spectrum    1 weight  0.10000E+01 volume  0.23846E-03 ppm1      8.131 ppm2      1.981 CV     1}
 ASSI { 1026}
   (( segid "A   " and resid 113  and name HN  ))
   (  segid "A   " and resid 113  and name HG2%)
      3.100     1.200     1.200 {peak  1026 spectrum    1 weight  0.10000E+01 volume  0.93745E-03 ppm1      8.130 ppm2      1.310 CV     1}
 ASSI { 1027}
   (( segid "A   " and resid 113  and name HN  ))
   (  segid "A   " and resid 83   and name HG2%)
      4.300     2.300     1.700 {peak  1027 spectrum    1 weight  0.10000E+01 volume  0.14049E-03 ppm1      8.133 ppm2      0.749 CV     1}
 OR { 1027}
   (( segid "A   " and resid 113  and name HN  ))
   (  segid "A   " and resid 83   and name HG1%)
 ASSI { 1028}
   (( segid "A   " and resid 114  and name HN  ))
   (( segid "A   " and resid 114  and name HA  ))
      3.200     1.300     1.300 {peak  1028 spectrum    1 weight  0.10000E+01 volume  0.78325E-03 ppm1      8.183 ppm2      4.241 CV     1}
 ASSI { 1029}
   (( segid "A   " and resid 114  and name HN  ))
   (( segid "A   " and resid 113  and name HA  ))
      2.800     1.000     1.000 {peak  1029 spectrum    1 weight  0.10000E+01 volume  0.18475E-02 ppm1      8.185 ppm2      4.698 CV     1}
 ASSI { 1030}
   (( segid "A   " and resid 114  and name HN  ))
   (  segid "A   " and resid 113  and name HG2%)
      2.800     1.000     1.000 {peak  1030 spectrum    1 weight  0.10000E+01 volume  0.17132E-02 ppm1      8.185 ppm2      1.277 CV     1}
 ASSI { 1031}
   (( segid "A   " and resid 114  and name HN  ))
   (  segid "A   " and resid 83   and name HG2%)
      4.100     2.100     1.900 {peak  1031 spectrum    1 weight  0.10000E+01 volume  0.17604E-03 ppm1      8.189 ppm2      0.706 CV     1}
 OR { 1031}
   (( segid "A   " and resid 114  and name HN  ))
   (  segid "A   " and resid 83   and name HG1%)
 ASSI { 1032}
   (( segid "A   " and resid 116  and name HN  ))
   (( segid "A   " and resid 115  and name HB2 ))
      3.100     1.200     1.200 {peak  1032 spectrum    1 weight  0.10000E+01 volume  0.93246E-03 ppm1      7.819 ppm2      1.764 CV     1}
 ASSI { 1033}
   (( segid "A   " and resid 82   and name HE21))
   (( segid "A   " and resid 84   and name HG1 ))
      3.200     1.300     1.300 {peak  1033 spectrum    1 weight  0.10000E+01 volume  0.77330E-03 ppm1      6.839 ppm2      2.132 CV     1}
 OR { 1033}
   (( segid "A   " and resid 82   and name HE21))
   (( segid "A   " and resid 84   and name HG2 ))
 ASSI { 1034}
   (( segid "A   " and resid 82   and name HE21))
   (( segid "A   " and resid 84   and name HB1 ))
      4.400     2.400     1.600 {peak  1034 spectrum    1 weight  0.10000E+01 volume  0.11985E-03 ppm1      6.837 ppm2      1.869 CV     1}
 ASSI { 1035}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 70   and name HG2 ))
      3.100     1.200     1.200 {peak  1035 spectrum    1 weight  0.10000E+01 volume  0.10518E-02 ppm1      9.027 ppm2      1.291 CV     1}
 OR { 1035}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 70   and name HG1 ))
 ASSI { 1036}
   (( segid "A   " and resid 110  and name HN  ))
   (( segid "A   " and resid 50   and name HG2 ))
      5.500     3.800     0.500 {peak  1036 spectrum    1 weight  0.10000E+01 volume  0.30832E-04 ppm1      7.682 ppm2      1.507 CV     1}
 OR { 1036}
   (( segid "A   " and resid 110  and name HN  ))
   (( segid "A   " and resid 50   and name HG1 ))
 ASSI { 1037}
   (( segid "A   " and resid 97   and name HN  ))
   (( segid "A   " and resid 97   and name HB1 ))
      5.700     4.100     0.300 {peak  1037 spectrum    1 weight  0.10000E+01 volume  0.24641E-04 ppm1      8.051 ppm2      3.812 CV     1}
 ASSI { 1038}
   (( segid "A   " and resid 91   and name HN  ))
   (( segid "A   " and resid 91   and name HA  ))
      2.600     0.900     0.900 {peak  1038 spectrum    1 weight  0.10000E+01 volume  0.26606E-02 ppm1      8.357 ppm2      5.017 CV     1}
 ASSI { 1039}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 71   and name HB  ))
      2.700     2.700     3.300 {peak  1039 spectrum    1 weight  0.10000E+01 volume  0.25114E-02 ppm1      9.181 ppm2      1.783 CV     1}
 ASSI { 1040}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 72   and name HB2 ))
      2.400     0.700     0.700 {peak  1040 spectrum    1 weight  0.10000E+01 volume  0.51222E-02 ppm1      9.181 ppm2      2.004 CV     1}
 ASSI { 1042}
   (( segid "A   " and resid 86   and name HD21))
   (( segid "A   " and resid 86   and name HB2 ))
      3.100     1.200     1.200 {peak  1042 spectrum    1 weight  0.10000E+01 volume  0.10916E-02 ppm1      5.697 ppm2      0.512 CV     1}
 ASSI { 1043}
   (( segid "A   " and resid 86   and name HD21))
   (( segid "A   " and resid 86   and name HB1 ))
      3.300     1.400     1.400 {peak  1043 spectrum    1 weight  0.10000E+01 volume  0.65644E-03 ppm1      5.698 ppm2      0.942 CV     1}
 ASSI { 1044}
   (( segid "A   " and resid 86   and name HD21))
   (  segid "A   " and resid 77   and name HG2%)
      2.900     1.100     1.100 {peak  1044 spectrum    1 weight  0.10000E+01 volume  0.13900E-02 ppm1      5.697 ppm2      1.469 CV     1}
 ASSI { 1045}
   (( segid "A   " and resid 86   and name HD21))
   (( segid "A   " and resid 84   and name HG2 ))
      3.500     3.500     2.500 {peak  1045 spectrum    1 weight  0.10000E+01 volume  0.44757E-03 ppm1      5.695 ppm2      2.131 CV     1}
 OR { 1045}
   (( segid "A   " and resid 86   and name HD21))
   (( segid "A   " and resid 84   and name HG1 ))
 ASSI { 1046}
   (( segid "A   " and resid 87   and name HN  ))
   (( segid "A   " and resid 87   and name HA  ))
      2.900     1.000     1.000 {peak  1046 spectrum    1 weight  0.10000E+01 volume  0.15814E-02 ppm1      8.438 ppm2      4.939 CV     1}
 ASSI { 1047}
   (( segid "A   " and resid 88   and name HN  ))
   (  segid "A   " and resid 87   and name HB% )
      2.800     1.000     1.000 {peak  1047 spectrum    1 weight  0.10000E+01 volume  0.18724E-02 ppm1      8.262 ppm2      0.979 CV     1}
 ASSI { 1049}
   (( segid "A   " and resid 93   and name HN  ))
   (( segid "A   " and resid 92   and name HN  ))
      3.500     1.500     1.500 {peak  1049 spectrum    1 weight  0.10000E+01 volume  0.52217E-03 ppm1      8.388 ppm2      9.163 CV     1}
 ASSI { 1050}
   (( segid "A   " and resid 93   and name HN  ))
   (( segid "A   " and resid 93   and name HB  ))
      2.700     0.900     0.900 {peak  1050 spectrum    1 weight  0.10000E+01 volume  0.20663E-02 ppm1      8.391 ppm2      1.613 CV     1}
 ASSI { 1051}
   (( segid "A   " and resid 93   and name HN  ))
   (( segid "A   " and resid 92   and name HB1 ))
      2.300     2.300     3.700 {peak  1051 spectrum    1 weight  0.10000E+01 volume  0.56195E-02 ppm1      8.391 ppm2      1.775 CV     1}
 ASSI { 1052}
   (( segid "A   " and resid 99   and name HN  ))
   (( segid "A   " and resid 100  and name HN  ))
      4.700     2.700     1.300 {peak  1052 spectrum    1 weight  0.10000E+01 volume  0.86531E-04 ppm1      8.153 ppm2      8.664 CV     1}
 ASSI { 1054}
   (( segid "A   " and resid 109  and name HN  ))
   (( segid "A   " and resid 49   and name HN  ))
      4.100     2.100     1.900 {peak  1054 spectrum    1 weight  0.10000E+01 volume  0.19693E-03 ppm1      8.578 ppm2      7.714 CV     1}
 ASSI { 1055}
   (( segid "A   " and resid 111  and name HN  ))
   (( segid "A   " and resid 50   and name HN  ))
      4.700     2.800     1.300 {peak  1055 spectrum    1 weight  0.10000E+01 volume  0.77330E-04 ppm1      7.934 ppm2      8.508 CV     1}
 ASSI { 1056}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 16   and name HA  ))
      5.100     3.300     0.900 {peak  1056 spectrum    1 weight  0.10000E+01 volume  0.50227E-04 ppm1      8.514 ppm2      6.046 CV     1}
 ASSI { 1057}
   (( segid "A   " and resid 5    and name HN  ))
   (  segid "A   " and resid 17   and name HG1%)
      2.900     2.900     3.100 {peak  1057 spectrum    1 weight  0.10000E+01 volume  0.14173E-02 ppm1      9.799 ppm2      0.630 CV     1}
 ASSI { 1058}
   (( segid "A   " and resid 6    and name HN  ))
   (  segid "A   " and resid 5    and name HG1%)
      3.500     1.500     1.500 {peak  1058 spectrum    1 weight  0.10000E+01 volume  0.47243E-03 ppm1      9.489 ppm2      0.571 CV     1}
 ASSI { 1059}
   (( segid "A   " and resid 6    and name HN  ))
   (  segid "A   " and resid 5    and name HG2%)
      3.400     1.400     1.400 {peak  1059 spectrum    1 weight  0.10000E+01 volume  0.58184E-03 ppm1      9.489 ppm2      0.711 CV     1}
 ASSI { 1060}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 10   and name HD2 ))
      4.200     2.200     1.800 {peak  1060 spectrum    1 weight  0.10000E+01 volume  0.15964E-03 ppm1      7.642 ppm2      3.562 CV     1}
 ASSI { 1061}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 10   and name HD1 ))
      3.800     1.800     1.800 {peak  1061 spectrum    1 weight  0.10000E+01 volume  0.28844E-03 ppm1      7.642 ppm2      3.658 CV     1}
 ASSI { 1062}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 10   and name HB2 ))
      3.500     1.500     1.500 {peak  1062 spectrum    1 weight  0.10000E+01 volume  0.48238E-03 ppm1      7.066 ppm2      1.934 CV     1}
 ASSI { 1063}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 10   and name HB1 ))
      2.500     0.800     0.800 {peak  1063 spectrum    1 weight  0.10000E+01 volume  0.34811E-02 ppm1      7.066 ppm2      2.052 CV     1}
 ASSI { 1064}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 76   and name HA  ))
      6.000     6.000     0.000 {peak  1064 spectrum    1 weight  0.10000E+01 volume  0.16261E-05 ppm1      8.133 ppm2      5.852 CV     1}
 ASSI { 1065}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 12   and name HB1 ))
      5.200     3.300     0.800 {peak  1065 spectrum    1 weight  0.10000E+01 volume  0.46249E-04 ppm1      8.557 ppm2      2.022 CV     1}
 ASSI { 1066}
   (( segid "A   " and resid 14   and name HN  ))
   (  segid "A   " and resid 12   and name HE% )
      3.200     1.200     1.200 {peak  1066 spectrum    1 weight  0.10000E+01 volume  0.88769E-03 ppm1      7.920 ppm2      2.162 CV     1}
 ASSI { 1067}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 13   and name HB1 ))
      3.600     1.600     1.600 {peak  1067 spectrum    1 weight  0.10000E+01 volume  0.40281E-03 ppm1      7.920 ppm2      2.096 CV     1}
 OR { 1067}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 13   and name HB2 ))
 ASSI { 1068}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 16   and name HB1 ))
      2.900     1.100     1.100 {peak  1068 spectrum    1 weight  0.10000E+01 volume  0.13999E-02 ppm1      8.277 ppm2      3.024 CV     1}
 ASSI { 1069}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 16   and name HB2 ))
      2.500     0.800     0.800 {peak  1069 spectrum    1 weight  0.10000E+01 volume  0.37795E-02 ppm1      8.277 ppm2      2.906 CV     1}
 ASSI { 1070}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 18   and name HA  ))
      3.300     1.400     1.400 {peak  1070 spectrum    1 weight  0.10000E+01 volume  0.62660E-03 ppm1      8.366 ppm2      5.217 CV     1}
 ASSI { 1071}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 20   and name HG1 ))
      4.800     2.800     1.200 {peak  1071 spectrum    1 weight  0.10000E+01 volume  0.75839E-04 ppm1      9.292 ppm2      1.352 CV     1}
 OR { 1071}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 20   and name HG2 ))
 ASSI { 1072}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 107  and name HG11))
      4.600     2.700     1.400 {peak  1072 spectrum    1 weight  0.10000E+01 volume  0.91259E-04 ppm1      9.292 ppm2      1.469 CV     1}
 ASSI { 1073}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 22   and name HG  ))
      2.400     0.700     0.700 {peak  1073 spectrum    1 weight  0.10000E+01 volume  0.43017E-02 ppm1      9.263 ppm2      0.755 CV     1}
 ASSI { 1074}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 23   and name HA  ))
      3.200     1.300     1.300 {peak  1074 spectrum    1 weight  0.10000E+01 volume  0.75590E-03 ppm1      7.587 ppm2      4.557 CV     1}
 ASSI { 1075}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 23   and name HG1 ))
      2.700     2.700     3.300 {peak  1075 spectrum    1 weight  0.10000E+01 volume  0.25363E-02 ppm1      7.585 ppm2      2.096 CV     1}
 OR { 1075}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 23   and name HG2 ))
 ASSI { 1076}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 23   and name HA  ))
      2.100     0.500     0.500 {peak  1076 spectrum    1 weight  0.10000E+01 volume  0.10642E-01 ppm1      9.090 ppm2      4.479 CV     1}
 ASSI { 1077}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 23   and name HB2 ))
      2.600     0.900     0.900 {peak  1077 spectrum    1 weight  0.10000E+01 volume  0.26108E-02 ppm1      9.091 ppm2      1.875 CV     1}
 OR { 1077}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 23   and name HB1 ))
 ASSI { 1078}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 23   and name HG1 ))
      2.600     0.800     0.800 {peak  1078 spectrum    1 weight  0.10000E+01 volume  0.30335E-02 ppm1      9.091 ppm2      2.096 CV     1}
 OR { 1078}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 23   and name HG2 ))
 ASSI { 1079}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 26   and name HG2 ))
      2.800     1.000     1.000 {peak  1079 spectrum    1 weight  0.10000E+01 volume  0.19917E-02 ppm1      8.616 ppm2      2.413 CV     1}
 OR { 1079}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 26   and name HG1 ))
 ASSI { 1080}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 26   and name HB1 ))
      2.600     0.900     0.900 {peak  1080 spectrum    1 weight  0.10000E+01 volume  0.27351E-02 ppm1      8.617 ppm2      2.140 CV     1}
 ASSI { 1081}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 26   and name HB2 ))
      3.200     1.300     1.300 {peak  1081 spectrum    1 weight  0.10000E+01 volume  0.83547E-03 ppm1      8.588 ppm2      2.037 CV     1}
 ASSI { 1082}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 26   and name HB1 ))
      2.600     0.800     0.800 {peak  1082 spectrum    1 weight  0.10000E+01 volume  0.29092E-02 ppm1      8.589 ppm2      2.206 CV     1}
 ASSI { 1083}
   (( segid "A   " and resid 27   and name HN  ))
   (  segid "A   " and resid 27   and name HB% )
      2.300     0.600     0.600 {peak  1083 spectrum    1 weight  0.10000E+01 volume  0.67384E-02 ppm1      8.592 ppm2      1.094 CV     1}
 ASSI { 1085}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 28   and name HD1 ))
      3.900     1.900     1.900 {peak  1085 spectrum    1 weight  0.10000E+01 volume  0.25363E-03 ppm1      9.244 ppm2      3.097 CV     1}
 OR { 1085}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 28   and name HD2 ))
 ASSI { 1086}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 40   and name HA  ))
      2.300     0.600     0.600 {peak  1086 spectrum    1 weight  0.10000E+01 volume  0.66141E-02 ppm1      8.012 ppm2      4.493 CV     1}
 ASSI { 1088}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 21   and name HA  ))
      4.000     2.000     2.000 {peak  1088 spectrum    1 weight  0.10000E+01 volume  0.21061E-03 ppm1      8.966 ppm2      4.037 CV     1}
 ASSI { 1090}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 20   and name HB2 ))
      2.400     2.400     3.600 {peak  1090 spectrum    1 weight  0.10000E+01 volume  0.45503E-02 ppm1      8.877 ppm2      2.085 CV     1}
 ASSI { 1091}
   (( segid "A   " and resid 47   and name HN  ))
   (  segid "A   " and resid 101  and name HE% )
      3.500     1.600     1.600 {peak  1091 spectrum    1 weight  0.10000E+01 volume  0.45752E-03 ppm1     10.022 ppm2      7.581 CV     1}
 ASSI { 1092}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 45   and name HA2 ))
      4.900     3.000     1.100 {peak  1092 spectrum    1 weight  0.10000E+01 volume  0.67136E-04 ppm1      7.703 ppm2      5.025 CV     1}
 ASSI { 1093}
   (( segid "A   " and resid 52   and name HN  ))
   (  segid "A   " and resid 85   and name HD1%)
      3.100     3.100     2.900 {peak  1093 spectrum    1 weight  0.10000E+01 volume  0.10940E-02 ppm1      8.414 ppm2      0.589 CV     1}
 ASSI { 1094}
   (( segid "A   " and resid 52   and name HN  ))
   (  segid "A   " and resid 43   and name HD1%)
      3.100     1.200     1.200 {peak  1094 spectrum    1 weight  0.10000E+01 volume  0.96476E-03 ppm1      8.414 ppm2      0.692 CV     1}
 ASSI { 1095}
   (( segid "A   " and resid 53   and name HN  ))
   (  segid "A   " and resid 85   and name HD2%)
      2.800     2.800     3.200 {peak  1095 spectrum    1 weight  0.10000E+01 volume  0.18822E-02 ppm1      9.157 ppm2      0.574 CV     1}
 ASSI { 1096}
   (( segid "A   " and resid 56   and name HE1 ))
   (( segid "A   " and resid 54   and name HB  ))
      2.800     1.000     1.000 {peak  1096 spectrum    1 weight  0.10000E+01 volume  0.19842E-02 ppm1     10.106 ppm2      3.831 CV     1}
 ASSI { 1099}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 57   and name HA1 ))
      2.300     0.700     0.700 {peak  1099 spectrum    1 weight  0.10000E+01 volume  0.53957E-02 ppm1      9.280 ppm2      3.890 CV     1}
 ASSI { 1100}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 57   and name HA2 ))
      2.400     0.700     0.700 {peak  1100 spectrum    1 weight  0.10000E+01 volume  0.45005E-02 ppm1      9.280 ppm2      4.030 CV     1}
 ASSI { 1101}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 55   and name HG  ))
      6.000     5.000     0.000 {peak  1101 spectrum    1 weight  0.10000E+01 volume  0.14198E-04 ppm1      7.042 ppm2      1.156 CV     1}
 ASSI { 1102}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 63   and name HG11))
      2.100     0.600     0.600 {peak  1102 spectrum    1 weight  0.10000E+01 volume  0.96721E-02 ppm1      7.042 ppm2      0.957 CV     1}
 ASSI { 1103}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 62   and name HB1 ))
      3.000     1.100     1.100 {peak  1103 spectrum    1 weight  0.10000E+01 volume  0.12233E-02 ppm1      7.040 ppm2      4.118 CV     1}
 ASSI { 1104}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 64   and name HG2 ))
      3.600     1.600     1.600 {peak  1104 spectrum    1 weight  0.10000E+01 volume  0.43017E-03 ppm1      8.308 ppm2      1.304 CV     1}
 OR { 1104}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 64   and name HG1 ))
 ASSI { 1105}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 64   and name HB1 ))
      2.700     0.900     0.900 {peak  1105 spectrum    1 weight  0.10000E+01 volume  0.22030E-02 ppm1      8.308 ppm2      1.466 CV     1}
 ASSI { 1106}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 64   and name HG1 ))
      2.300     2.300     3.700 {peak  1106 spectrum    1 weight  0.10000E+01 volume  0.64649E-02 ppm1      8.560 ppm2      1.318 CV     1}
 OR { 1106}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 64   and name HG2 ))
 ASSI { 1107}
   (( segid "A   " and resid 65   and name HN  ))
   (  segid "A   " and resid 21   and name HG1%)
      2.700     2.700     3.300 {peak  1107 spectrum    1 weight  0.10000E+01 volume  0.22528E-02 ppm1      8.560 ppm2      0.618 CV     1}
 ASSI { 1108}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 66   and name HA1 ))
      3.400     1.500     1.500 {peak  1108 spectrum    1 weight  0.10000E+01 volume  0.52963E-03 ppm1      7.503 ppm2      3.745 CV     1}
 ASSI { 1109}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 95   and name HA  ))
      4.800     2.900     1.200 {peak  1109 spectrum    1 weight  0.10000E+01 volume  0.73103E-04 ppm1      9.028 ppm2      4.354 CV     1}
 ASSI { 1110}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 71   and name HG11))
      2.900     1.100     1.100 {peak  1110 spectrum    1 weight  0.10000E+01 volume  0.14670E-02 ppm1      9.075 ppm2      0.714 CV     1}
 ASSI { 1112}
   (( segid "A   " and resid 76   and name HN  ))
   (  segid "A   " and resid 85   and name HD1%)
      4.000     2.000     2.000 {peak  1112 spectrum    1 weight  0.10000E+01 volume  0.20663E-03 ppm1      9.068 ppm2      0.618 CV     1}
 ASSI { 1113}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 76   and name HN  ))
      4.400     2.400     1.600 {peak  1113 spectrum    1 weight  0.10000E+01 volume  0.11886E-03 ppm1      8.773 ppm2      9.067 CV     1}
 ASSI { 1115}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 82   and name HB1 ))
      3.400     3.400     2.600 {peak  1115 spectrum    1 weight  0.10000E+01 volume  0.56195E-03 ppm1      8.776 ppm2      2.180 CV     1}
 ASSI { 1116}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 82   and name HB2 ))
      3.200     1.300     1.300 {peak  1116 spectrum    1 weight  0.10000E+01 volume  0.80066E-03 ppm1      8.777 ppm2      2.063 CV     1}
 ASSI { 1117}
   (( segid "A   " and resid 82   and name HN  ))
   (  segid "A   " and resid 78   and name HB% )
      3.600     1.600     1.600 {peak  1117 spectrum    1 weight  0.10000E+01 volume  0.40530E-03 ppm1      7.888 ppm2      1.215 CV     1}
 ASSI { 1118}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 82   and name HB1 ))
      2.200     2.200     3.800 {peak  1118 spectrum    1 weight  0.10000E+01 volume  0.70865E-02 ppm1      7.889 ppm2      2.262 CV     1}
 ASSI { 1119}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 82   and name HB2 ))
      2.500     0.800     0.800 {peak  1119 spectrum    1 weight  0.10000E+01 volume  0.35059E-02 ppm1      7.889 ppm2      2.085 CV     1}
 ASSI { 1121}
   (( segid "A   " and resid 84   and name HN  ))
   (( segid "A   " and resid 76   and name HB  ))
      2.500     0.800     0.800 {peak  1121 spectrum    1 weight  0.10000E+01 volume  0.37049E-02 ppm1      8.642 ppm2      4.310 CV     1}
 ASSI { 1124}
   (( segid "A   " and resid 86   and name HD21))
   (( segid "A   " and resid 76   and name HN  ))
      6.000     4.700     0.000 {peak  1124 spectrum    1 weight  0.10000E+01 volume  0.16635E-04 ppm1      5.700 ppm2      9.025 CV     1}
 ASSI { 1125}
   (( segid "A   " and resid 86   and name HD22))
   (( segid "A   " and resid 56   and name HE1 ))
      5.300     3.500     0.700 {peak  1125 spectrum    1 weight  0.10000E+01 volume  0.38790E-04 ppm1      6.743 ppm2     10.089 CV     1}
 ASSI { 1126}
   (( segid "A   " and resid 91   and name HN  ))
   (( segid "A   " and resid 90   and name HG2 ))
      3.500     1.600     1.600 {peak  1126 spectrum    1 weight  0.10000E+01 volume  0.45255E-03 ppm1      8.354 ppm2      1.481 CV     1}
 ASSI { 1127}
   (( segid "A   " and resid 95   and name HN  ))
   (( segid "A   " and resid 95   and name HA  ))
      3.300     1.300     1.300 {peak  1127 spectrum    1 weight  0.10000E+01 volume  0.74098E-03 ppm1      8.582 ppm2      4.310 CV     1}
 ASSI { 1128}
   (( segid "A   " and resid 98   and name HN  ))
   (( segid "A   " and resid 98   and name HG2 ))
      2.900     1.100     1.100 {peak  1128 spectrum    1 weight  0.10000E+01 volume  0.14123E-02 ppm1      8.305 ppm2      2.269 CV     1}
 OR { 1128}
   (( segid "A   " and resid 98   and name HN  ))
   (( segid "A   " and resid 98   and name HG1 ))
 ASSI { 1129}
   (( segid "A   " and resid 99   and name HN  ))
   (( segid "A   " and resid 98   and name HG2 ))
      4.300     2.300     1.700 {peak  1129 spectrum    1 weight  0.10000E+01 volume  0.14621E-03 ppm1      8.152 ppm2      2.225 CV     1}
 OR { 1129}
   (( segid "A   " and resid 99   and name HN  ))
   (( segid "A   " and resid 98   and name HG1 ))
 ASSI { 1130}
   (( segid "A   " and resid 99   and name HN  ))
   (( segid "A   " and resid 98   and name HN  ))
      3.500     1.500     1.500 {peak  1130 spectrum    1 weight  0.10000E+01 volume  0.51222E-03 ppm1      8.152 ppm2      8.334 CV     1}
 ASSI { 1132}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 106  and name HA  ))
      2.800     1.000     1.000 {peak  1132 spectrum    1 weight  0.10000E+01 volume  0.18922E-02 ppm1      7.928 ppm2      4.325 CV     1}
 ASSI { 1133}
   (( segid "A   " and resid 106  and name HE22))
   (( segid "A   " and resid 103  and name HN  ))
      5.400     3.600     0.600 {peak  1133 spectrum    1 weight  0.10000E+01 volume  0.36800E-04 ppm1      6.703 ppm2      8.352 CV     1}
 ASSI { 1134}
   (( segid "A   " and resid 116  and name HN  ))
   (( segid "A   " and resid 116  and name HA  ))
      3.600     1.700     1.700 {peak  1134 spectrum    1 weight  0.10000E+01 volume  0.37546E-03 ppm1      7.815 ppm2      4.192 CV     1}
 ASSI { 1135}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 56   and name HB2 ))
      3.800     3.800     2.200 {peak  1135 spectrum    1 weight  0.10000E+01 volume  0.31081E-03 ppm1      7.351 ppm2      3.487 CV     1}
 ASSI { 1136}
   (( segid "A   " and resid 59   and name HN  ))
   (  segid "A   " and resid 93   and name HD1%)
      4.400     2.400     1.600 {peak  1136 spectrum    1 weight  0.10000E+01 volume  0.11811E-03 ppm1      7.356 ppm2      0.275 CV     1}
 ASSI { 1138}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 56   and name HN  ))
      4.100     2.100     1.900 {peak  1138 spectrum    1 weight  0.10000E+01 volume  0.19445E-03 ppm1      7.794 ppm2      8.639 CV     1}
 ASSI { 1139}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 58   and name HN  ))
      4.000     2.000     2.000 {peak  1139 spectrum    1 weight  0.10000E+01 volume  0.21508E-03 ppm1      7.795 ppm2      8.742 CV     1}
 ASSI { 1140}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 13   and name HA  ))
      2.400     0.700     0.700 {peak  1140 spectrum    1 weight  0.10000E+01 volume  0.48984E-02 ppm1      8.556 ppm2      4.485 CV     1}
 ASSI { 1141}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 77   and name HA  ))
      5.400     3.700     0.600 {peak  1141 spectrum    1 weight  0.10000E+01 volume  0.33816E-04 ppm1      8.132 ppm2      4.889 CV     1}
 ASSI { 1142}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 102  and name HB2 ))
      3.000     1.100     1.100 {peak  1142 spectrum    1 weight  0.10000E+01 volume  0.13228E-02 ppm1     10.020 ppm2      1.651 CV     1}
 ASSI { 1144}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 65   and name HA  ))
      2.800     2.800     3.200 {peak  1144 spectrum    1 weight  0.10000E+01 volume  0.18997E-02 ppm1      7.502 ppm2      3.492 CV     1}
 ASSI { 1145}
   (( segid "A   " and resid 86   and name HD21))
   (( segid "A   " and resid 84   and name HB1 ))
      4.900     3.000     1.100 {peak  1145 spectrum    1 weight  0.10000E+01 volume  0.61168E-04 ppm1      5.697 ppm2      1.856 CV     1}
 ASSI { 1146}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 45   and name HA2 ))
      3.400     1.500     1.500 {peak  1146 spectrum    1 weight  0.10000E+01 volume  0.52963E-03 ppm1      8.876 ppm2      5.010 CV     1}
 ASSI { 1147}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 35   and name HA2 ))
      2.700     0.900     0.900 {peak  1147 spectrum    1 weight  0.10000E+01 volume  0.21806E-02 ppm1      7.456 ppm2      3.912 CV     1}
 ASSI { 1148}
   (( segid "A   " and resid 86   and name HD22))
   (( segid "A   " and resid 84   and name HB2 ))
      5.200     3.300     0.800 {peak  1148 spectrum    1 weight  0.10000E+01 volume  0.46498E-04 ppm1      6.740 ppm2      2.011 CV     1}
 ASSI { 1149}
   (( segid "A   " and resid 105  and name HN  ))
   (( segid "A   " and resid 105  and name HB2 ))
      3.300     1.300     1.300 {peak  1149 spectrum    1 weight  0.10000E+01 volume  0.71611E-03 ppm1      7.868 ppm2      4.030 CV     1}
 ASSI { 1150}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 55   and name HB1 ))
      3.500     1.600     1.600 {peak  1150 spectrum    1 weight  0.10000E+01 volume  0.46001E-03 ppm1      8.749 ppm2      1.024 CV     1}
 ASSI { 1151}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 9    and name HB2 ))
      2.600     0.800     0.800 {peak  1151 spectrum    1 weight  0.10000E+01 volume  0.29838E-02 ppm1      7.640 ppm2      1.952 CV     1}
 ASSI { 1152}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 25   and name HB2 ))
      3.800     1.800     1.800 {peak  1152 spectrum    1 weight  0.10000E+01 volume  0.30087E-03 ppm1      8.617 ppm2      4.192 CV     1}
 ASSI { 1153}
   (( segid "A   " and resid 101  and name HN  ))
   (( segid "A   " and resid 100  and name HA2 ))
      3.900     1.900     1.900 {peak  1153 spectrum    1 weight  0.10000E+01 volume  0.24069E-03 ppm1      7.984 ppm2      4.030 CV     1}
 ASSI { 1154}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 106  and name HB1 ))
      2.100     2.100     3.900 {peak  1154 spectrum    1 weight  0.10000E+01 volume  0.11239E-01 ppm1      7.925 ppm2      2.074 CV     1}
 ASSI { 1155}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 103  and name HB1 ))
      3.600     1.600     1.600 {peak  1155 spectrum    1 weight  0.10000E+01 volume  0.39038E-03 ppm1      7.926 ppm2      1.941 CV     1}
 ASSI { 1156}
   (( segid "A   " and resid 74   and name HN  ))
   (  segid "A   " and resid 15   and name HG2%)
      2.700     0.900     0.900 {peak  1156 spectrum    1 weight  0.10000E+01 volume  0.23547E-02 ppm1      8.957 ppm2      0.718 CV     1}
 ASSI { 1157}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 84   and name HB2 ))
      4.300     2.300     1.700 {peak  1157 spectrum    1 weight  0.10000E+01 volume  0.13303E-03 ppm1      8.505 ppm2      1.985 CV     1}
 ASSI { 1158}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 85   and name HG  ))
      2.900     1.100     1.100 {peak  1158 spectrum    1 weight  0.10000E+01 volume  0.14074E-02 ppm1      8.224 ppm2      1.300 CV     1}
 ASSI { 1159}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 12   and name HB1 ))
      2.500     2.500     3.500 {peak  1159 spectrum    1 weight  0.10000E+01 volume  0.32822E-02 ppm1      7.919 ppm2      2.044 CV     1}
 ASSI { 1160}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 21   and name HN  ))
      2.900     1.000     1.000 {peak  1160 spectrum    1 weight  0.10000E+01 volume  0.16038E-02 ppm1      7.499 ppm2      9.003 CV     1}
 ASSI { 1161}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 13   and name HA  ))
      3.000     3.000     3.000 {peak  1161 spectrum    1 weight  0.10000E+01 volume  0.11761E-02 ppm1      9.066 ppm2      4.479 CV     1}
 ASSI { 1162}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 15   and name HA  ))
      4.000     2.000     2.000 {peak  1162 spectrum    1 weight  0.10000E+01 volume  0.20514E-03 ppm1      8.956 ppm2      4.428 CV     1}
 ASSI { 1163}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 65   and name HG1 ))
      3.900     1.900     1.900 {peak  1163 spectrum    1 weight  0.10000E+01 volume  0.25114E-03 ppm1      8.931 ppm2      2.306 CV     1}
 ASSI { 1164}
   (( segid "A   " and resid 95   and name HN  ))
   (  segid "A   " and resid 93   and name HG2%)
      3.400     1.400     1.400 {peak  1164 spectrum    1 weight  0.10000E+01 volume  0.60919E-03 ppm1      8.580 ppm2      0.537 CV     1}
 ASSI { 1165}
   (( segid "A   " and resid 25   and name HN  ))
   (  segid "A   " and resid 55   and name HD2%)
      3.800     3.800     2.200 {peak  1165 spectrum    1 weight  0.10000E+01 volume  0.27849E-03 ppm1      8.458 ppm2      0.600 CV     1}
 ASSI { 1166}
   (( segid "A   " and resid 25   and name HN  ))
   (  segid "A   " and resid 55   and name HD1%)
      3.900     1.900     1.900 {peak  1166 spectrum    1 weight  0.10000E+01 volume  0.25363E-03 ppm1      8.458 ppm2      0.700 CV     1}
 ASSI { 1167}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 4    and name HB2 ))
      2.600     2.600     3.400 {peak  1167 spectrum    1 weight  0.10000E+01 volume  0.28844E-02 ppm1      8.698 ppm2      1.628 CV     1}
 ASSI { 1168}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 66   and name HA2 ))
      2.600     0.900     0.900 {peak  1168 spectrum    1 weight  0.10000E+01 volume  0.28097E-02 ppm1      8.932 ppm2      4.524 CV     1}
 ASSI { 1169}
   (( segid "A   " and resid 77   and name HN  ))
   (  segid "A   " and resid 85   and name HD1%)
      3.700     3.700     2.300 {peak  1169 spectrum    1 weight  0.10000E+01 volume  0.35309E-03 ppm1      8.775 ppm2      0.611 CV     1}
 ASSI { 1170}
   (( segid "A   " and resid 19   and name HN  ))
   (  segid "A   " and resid 19   and name HG1%)
      2.200     0.600     0.600 {peak  1170 spectrum    1 weight  0.10000E+01 volume  0.71362E-02 ppm1      8.645 ppm2      0.611 CV     1}
 ASSI { 1171}
   (( segid "A   " and resid 96   and name HN  ))
   (  segid "A   " and resid 69   and name HG1%)
      3.200     1.300     1.300 {peak  1171 spectrum    1 weight  0.10000E+01 volume  0.80811E-03 ppm1      8.444 ppm2      0.559 CV     1}
 ASSI { 1172}
   (( segid "A   " and resid 84   and name HN  ))
   (  segid "A   " and resid 8    and name HD2%)
      2.600     2.600     3.400 {peak  1172 spectrum    1 weight  0.10000E+01 volume  0.29341E-02 ppm1      8.644 ppm2      0.751 CV     1}
 ASSI { 1173}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 22   and name HB2 ))
      2.800     1.000     1.000 {peak  1173 spectrum    1 weight  0.10000E+01 volume  0.19718E-02 ppm1      7.587 ppm2      1.554 CV     1}
 ASSI { 1174}
   (( segid "A   " and resid 9    and name HN  ))
   (  segid "A   " and resid 76   and name HG2%)
      2.800     1.000     1.000 {peak  1174 spectrum    1 weight  0.10000E+01 volume  0.17654E-02 ppm1      7.639 ppm2      1.119 CV     1}
 ASSI { 1175}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 50   and name HG2 ))
      3.800     1.800     1.800 {peak  1175 spectrum    1 weight  0.10000E+01 volume  0.28595E-03 ppm1      8.876 ppm2      1.517 CV     1}
 OR { 1175}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 50   and name HG1 ))
 ASSI { 1176}
   (( segid "A   " and resid 59   and name HN  ))
   (  segid "A   " and resid 60   and name HB% )
      2.900     2.900     3.100 {peak  1176 spectrum    1 weight  0.10000E+01 volume  0.13775E-02 ppm1      7.351 ppm2      1.171 CV     1}
 ASSI { 1177}
   (( segid "A   " and resid 96   and name HN  ))
   (( segid "A   " and resid 95   and name HG2 ))
      3.300     1.400     1.400 {peak  1177 spectrum    1 weight  0.10000E+01 volume  0.64897E-03 ppm1      8.445 ppm2      2.320 CV     1}
 ASSI { 1178}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 22   and name HB2 ))
      3.000     1.100     1.100 {peak  1178 spectrum    1 weight  0.10000E+01 volume  0.11562E-02 ppm1      8.961 ppm2      1.517 CV     1}
 ASSI { 1179}
   (( segid "A   " and resid 83   and name HN  ))
   (  segid "A   " and resid 8    and name HD2%)
      2.500     2.500     3.500 {peak  1179 spectrum    1 weight  0.10000E+01 volume  0.34065E-02 ppm1      8.028 ppm2      0.751 CV     1}
 ASSI { 1180}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 22   and name HB2 ))
      2.500     0.800     0.800 {peak  1180 spectrum    1 weight  0.10000E+01 volume  0.34065E-02 ppm1      9.264 ppm2      1.562 CV     1}
 ASSI { 1181}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 5    and name HB  ))
      3.100     3.100     2.900 {peak  1181 spectrum    1 weight  0.10000E+01 volume  0.10792E-02 ppm1      7.431 ppm2      1.878 CV     1}
 ASSI { 1182}
   (( segid "A   " and resid 94   and name HN  ))
   (( segid "A   " and resid 70   and name HD1 ))
      3.400     1.500     1.500 {peak  1182 spectrum    1 weight  0.10000E+01 volume  0.54703E-03 ppm1      8.692 ppm2      1.665 CV     1}
 OR { 1182}
   (( segid "A   " and resid 94   and name HN  ))
   (( segid "A   " and resid 70   and name HD2 ))
 ASSI { 1183}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 84   and name HG2 ))
      3.000     1.200     1.200 {peak  1183 spectrum    1 weight  0.10000E+01 volume  0.11339E-02 ppm1      8.930 ppm2      2.077 CV     1}
 OR { 1183}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 84   and name HG1 ))
 ASSI { 1184}
   (( segid "A   " and resid 20   and name HN  ))
   (  segid "A   " and resid 19   and name HG2%)
      2.500     2.500     3.500 {peak  1184 spectrum    1 weight  0.10000E+01 volume  0.33071E-02 ppm1      9.290 ppm2      0.582 CV     1}
 ASSI {    1}
   (( segid "A   " and resid 56   and name HZ2 ))
   (( segid "A   " and resid 56   and name HZ3 ))
      3.500     1.500     1.500 {peak     1 spectrum    1 weight  0.10000E+01 volume  0.53484E-03 ppm1      7.234 ppm2      6.634 CV     1}
 ASSI {    2}
   (( segid "A   " and resid 56   and name HZ2 ))
   (( segid "A   " and resid 56   and name HH2 ))
      2.500     0.800     0.800 {peak     2 spectrum    1 weight  0.10000E+01 volume  0.39066E-02 ppm1      7.228 ppm2      6.863 CV     1}
 ASSI {    3}
   (( segid "A   " and resid 56   and name HD1 ))
   (( segid "A   " and resid 86   and name HA  ))
      2.800     1.000     1.000 {peak     3 spectrum    1 weight  0.10000E+01 volume  0.17269E-02 ppm1      6.929 ppm2      5.287 CV     1}
 ASSI {    4}
   (( segid "A   " and resid 56   and name HD1 ))
   (( segid "A   " and resid 56   and name HE1 ))
      2.400     0.700     0.700 {peak     4 spectrum    1 weight  0.10000E+01 volume  0.46945E-02 ppm1      6.929 ppm2     10.100 CV     1}
 ASSI {    5}
   (( segid "A   " and resid 75   and name HD1 ))
   (( segid "A   " and resid 75   and name HE1 ))
      2.400     0.700     0.700 {peak     5 spectrum    1 weight  0.10000E+01 volume  0.46442E-02 ppm1      6.956 ppm2      9.707 CV     1}
 ASSI {    6}
   (( segid "A   " and resid 56   and name HD1 ))
   (( segid "A   " and resid 87   and name HN  ))
      2.900     1.000     1.000 {peak     6 spectrum    1 weight  0.10000E+01 volume  0.16514E-02 ppm1      6.926 ppm2      8.445 CV     1}
 ASSI {    8}
   (( segid "A   " and resid 56   and name HD1 ))
   (( segid "A   " and resid 54   and name HA  ))
      2.700     2.700     3.300 {peak     8 spectrum    1 weight  0.10000E+01 volume  0.24479E-02 ppm1      6.941 ppm2      4.511 CV     1}
 ASSI {    9}
   (( segid "A   " and resid 56   and name HD1 ))
   (( segid "A   " and resid 56   and name HB1 ))
      3.100     1.200     1.200 {peak     9 spectrum    1 weight  0.10000E+01 volume  0.10965E-02 ppm1      6.927 ppm2      3.494 CV     1}
 ASSI {   10}
   (( segid "A   " and resid 56   and name HD1 ))
   (( segid "A   " and resid 86   and name HD22))
      3.100     3.100     2.900 {peak    10 spectrum    1 weight  0.10000E+01 volume  0.94897E-03 ppm1      6.950 ppm2      6.727 CV     1}
 ASSI {   11}
   (( segid "A   " and resid 56   and name HD1 ))
   (( segid "A   " and resid 54   and name HB  ))
      5.400     3.700     0.600 {peak    11 spectrum    1 weight  0.10000E+01 volume  0.36215E-04 ppm1      6.919 ppm2      3.873 CV     1}
 ASSI {   14}
   (( segid "A   " and resid 56   and name HD1 ))
   (  segid "A   " and resid 54   and name HG2%)
      3.300     1.400     1.400 {peak    14 spectrum    1 weight  0.10000E+01 volume  0.64046E-03 ppm1      6.924 ppm2      0.195 CV     1}
 ASSI {   15}
   (( segid "A   " and resid 75   and name HD1 ))
   (( segid "A   " and resid 86   and name HB2 ))
      2.700     2.700     3.300 {peak    15 spectrum    1 weight  0.10000E+01 volume  0.23137E-02 ppm1      6.953 ppm2      0.456 CV     1}
 ASSI {   16}
   (( segid "A   " and resid 75   and name HD1 ))
   (( segid "A   " and resid 86   and name HB1 ))
      3.300     1.400     1.400 {peak    16 spectrum    1 weight  0.10000E+01 volume  0.70250E-03 ppm1      6.951 ppm2      0.932 CV     1}
 ASSI {   17}
   (( segid "A   " and resid 75   and name HD1 ))
   (( segid "A   " and resid 75   and name HB2 ))
      2.600     0.900     0.900 {peak    17 spectrum    1 weight  0.10000E+01 volume  0.28335E-02 ppm1      6.956 ppm2      3.750 CV     1}
 ASSI {   18}
   (( segid "A   " and resid 75   and name HD1 ))
   (( segid "A   " and resid 75   and name HB1 ))
      2.900     1.000     1.000 {peak    18 spectrum    1 weight  0.10000E+01 volume  0.16297E-02 ppm1      6.957 ppm2      3.363 CV     1}
 ASSI {   20}
   (( segid "A   " and resid 56   and name HE3 ))
   (( segid "A   " and resid 37   and name HB2 ))
      3.700     1.700     1.700 {peak    20 spectrum    1 weight  0.10000E+01 volume  0.34873E-03 ppm1      7.493 ppm2      1.756 CV     1}
 ASSI {   22}
   (( segid "A   " and resid 56   and name HE3 ))
   (( segid "A   " and resid 56   and name HZ3 ))
      2.900     1.000     1.000 {peak    22 spectrum    1 weight  0.10000E+01 volume  0.15609E-02 ppm1      7.492 ppm2      6.620 CV     1}
 ASSI {   24}
   (( segid "A   " and resid 56   and name HH2 ))
   (( segid "A   " and resid 56   and name HZ3 ))
      2.200     0.600     0.600 {peak    24 spectrum    1 weight  0.10000E+01 volume  0.87017E-02 ppm1      6.870 ppm2      6.626 CV     1}
 ASSI {   27}
   (( segid "A   " and resid 56   and name HH2 ))
   (  segid "A   " and resid 39   and name HD1%)
      3.400     1.400     1.400 {peak    27 spectrum    1 weight  0.10000E+01 volume  0.58514E-03 ppm1      6.873 ppm2      0.117 CV     1}
 ASSI {   28}
   (( segid "A   " and resid 56   and name HH2 ))
   (  segid "A   " and resid 30   and name HD1%)
      2.900     1.100     1.100 {peak    28 spectrum    1 weight  0.10000E+01 volume  0.14503E-02 ppm1      6.865 ppm2      0.674 CV     1}
 ASSI {   30}
   (( segid "A   " and resid 56   and name HZ2 ))
   (  segid "A   " and resid 54   and name HG2%)
      2.900     1.100     1.100 {peak    30 spectrum    1 weight  0.10000E+01 volume  0.14452E-02 ppm1      7.230 ppm2      0.198 CV     1}
 ASSI {   31}
   (( segid "A   " and resid 56   and name HZ2 ))
   (( segid "A   " and resid 54   and name HB  ))
      3.700     1.700     1.700 {peak    31 spectrum    1 weight  0.10000E+01 volume  0.36550E-03 ppm1      7.228 ppm2      3.839 CV     1}
 ASSI {   34}
   (( segid "A   " and resid 56   and name HZ3 ))
   (( segid "A   " and resid 37   and name HB2 ))
      3.600     1.600     1.600 {peak    34 spectrum    1 weight  0.10000E+01 volume  0.43928E-03 ppm1      6.630 ppm2      1.763 CV     1}
 ASSI {   35}
   (( segid "A   " and resid 56   and name HZ3 ))
   (  segid "A   " and resid 30   and name HD1%)
      3.200     1.300     1.300 {peak    35 spectrum    1 weight  0.10000E+01 volume  0.79807E-03 ppm1      6.639 ppm2      0.704 CV     1}
 ASSI {   36}
   (( segid "A   " and resid 56   and name HZ3 ))
   (( segid "A   " and resid 37   and name HD2 ))
      3.700     1.700     1.700 {peak    36 spectrum    1 weight  0.10000E+01 volume  0.33532E-03 ppm1      6.626 ppm2      3.500 CV     1}
 ASSI {   37}
   (( segid "A   " and resid 59   and name HD2 ))
   (( segid "A   " and resid 88   and name HA1 ))
      3.000     1.100     1.100 {peak    37 spectrum    1 weight  0.10000E+01 volume  0.12860E-02 ppm1      6.858 ppm2      5.213 CV     1}
 ASSI {   38}
   (( segid "A   " and resid 59   and name HD2 ))
   (( segid "A   " and resid 89   and name HA  ))
      3.200     1.300     1.300 {peak    38 spectrum    1 weight  0.10000E+01 volume  0.76789E-03 ppm1      6.857 ppm2      4.140 CV     1}
 ASSI {   39}
   (( segid "A   " and resid 59   and name HD2 ))
   (( segid "A   " and resid 56   and name HB1 ))
      4.800     2.900     1.200 {peak    39 spectrum    1 weight  0.10000E+01 volume  0.74275E-04 ppm1      6.855 ppm2      3.537 CV     1}
 ASSI {   40}
   (( segid "A   " and resid 59   and name HD2 ))
   (( segid "A   " and resid 59   and name HB2 ))
      2.700     0.900     0.900 {peak    40 spectrum    1 weight  0.10000E+01 volume  0.24143E-02 ppm1      6.862 ppm2      2.817 CV     1}
 ASSI {   41}
   (( segid "A   " and resid 59   and name HD2 ))
   (( segid "A   " and resid 59   and name HB1 ))
      3.700     1.700     1.700 {peak    41 spectrum    1 weight  0.10000E+01 volume  0.38060E-03 ppm1      6.853 ppm2      2.942 CV     1}
 ASSI {   42}
   (( segid "A   " and resid 59   and name HD2 ))
   (( segid "A   " and resid 59   and name HN  ))
      3.500     1.500     1.500 {peak    42 spectrum    1 weight  0.10000E+01 volume  0.52143E-03 ppm1      6.854 ppm2      7.347 CV     1}
 ASSI {   43}
   (( segid "A   " and resid 59   and name HD2 ))
   (( segid "A   " and resid 91   and name HN  ))
      2.700     2.700     3.300 {peak    43 spectrum    1 weight  0.10000E+01 volume  0.23808E-02 ppm1      6.841 ppm2      8.302 CV     1}
 ASSI {   44}
   (( segid "A   " and resid 59   and name HD2 ))
   (( segid "A   " and resid 93   and name HG11))
      3.400     1.400     1.400 {peak    44 spectrum    1 weight  0.10000E+01 volume  0.60191E-03 ppm1      6.854 ppm2      0.640 CV     1}
 ASSI {   45}
   (( segid "A   " and resid 59   and name HD2 ))
   (( segid "A   " and resid 55   and name HB1 ))
      3.000     3.000     3.000 {peak    45 spectrum    1 weight  0.10000E+01 volume  0.12038E-02 ppm1      6.857 ppm2      0.950 CV     1}
 ASSI {   46}
   (( segid "A   " and resid 59   and name HD2 ))
   (( segid "A   " and resid 93   and name HG12))
      2.500     2.500     3.500 {peak    46 spectrum    1 weight  0.10000E+01 volume  0.40742E-02 ppm1      6.863 ppm2      1.121 CV     1}
 ASSI {   47}
   (( segid "A   " and resid 59   and name HD2 ))
   (( segid "A   " and resid 87   and name HA  ))
      4.200     2.200     1.800 {peak    47 spectrum    1 weight  0.10000E+01 volume  0.16766E-03 ppm1      6.853 ppm2      4.902 CV     1}
 ASSI {   48}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 93   and name HN  ))
      2.900     1.100     1.100 {peak    48 spectrum    1 weight  0.10000E+01 volume  0.14570E-02 ppm1      7.873 ppm2      8.376 CV     1}
 ASSI {   49}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 92   and name HA  ))
      2.700     0.900     0.900 {peak    49 spectrum    1 weight  0.10000E+01 volume  0.22299E-02 ppm1      7.877 ppm2      4.866 CV     1}
 ASSI {   50}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 58   and name HE2 ))
      3.100     1.200     1.200 {peak    50 spectrum    1 weight  0.10000E+01 volume  0.10378E-02 ppm1      7.876 ppm2      2.882 CV     1}
 OR {   50}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 58   and name HE1 ))
 ASSI {   51}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 91   and name HB  ))
      4.400     2.400     1.600 {peak    51 spectrum    1 weight  0.10000E+01 volume  0.12054E-03 ppm1      7.872 ppm2      4.187 CV     1}
 ASSI {   52}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 93   and name HB  ))
      3.000     1.100     1.100 {peak    52 spectrum    1 weight  0.10000E+01 volume  0.12374E-02 ppm1      7.877 ppm2      1.634 CV     1}
 ASSI {   53}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 93   and name HG12))
      3.000     3.000     3.000 {peak    53 spectrum    1 weight  0.10000E+01 volume  0.13446E-02 ppm1      7.875 ppm2      1.076 CV     1}
 ASSI {   54}
   (( segid "A   " and resid 59   and name HE1 ))
   (( segid "A   " and resid 93   and name HG11))
      3.100     1.200     1.200 {peak    54 spectrum    1 weight  0.10000E+01 volume  0.95904E-03 ppm1      7.878 ppm2      0.606 CV     1}
 ASSI {   55}
   (( segid "A   " and resid 59   and name HE1 ))
   (  segid "A   " and resid 93   and name HD1%)
      3.400     1.500     1.500 {peak    55 spectrum    1 weight  0.10000E+01 volume  0.56670E-03 ppm1      7.878 ppm2      0.277 CV     1}
 ASSI {   56}
   (( segid "A   " and resid 75   and name HD1 ))
   (( segid "A   " and resid 75   and name HA  ))
      3.700     1.700     1.700 {peak    56 spectrum    1 weight  0.10000E+01 volume  0.35041E-03 ppm1      6.954 ppm2      5.486 CV     1}
 ASSI {   57}
   (( segid "A   " and resid 75   and name HE3 ))
   (( segid "A   " and resid 75   and name HZ3 ))
      3.000     1.100     1.100 {peak    57 spectrum    1 weight  0.10000E+01 volume  0.11619E-02 ppm1      7.370 ppm2      6.816 CV     1}
 ASSI {   58}
   (( segid "A   " and resid 75   and name HE3 ))
   (( segid "A   " and resid 75   and name HN  ))
      3.400     1.400     1.400 {peak    58 spectrum    1 weight  0.10000E+01 volume  0.63544E-03 ppm1      7.359 ppm2      7.907 CV     1}
 ASSI {   60}
   (( segid "A   " and resid 75   and name HE3 ))
   (( segid "A   " and resid 74   and name HA  ))
      3.400     1.400     1.400 {peak    60 spectrum    1 weight  0.10000E+01 volume  0.59688E-03 ppm1      7.366 ppm2      4.863 CV     1}
 ASSI {   62}
   (( segid "A   " and resid 75   and name HE3 ))
   (( segid "A   " and resid 75   and name HB1 ))
      2.900     1.000     1.000 {peak    62 spectrum    1 weight  0.10000E+01 volume  0.16599E-02 ppm1      7.369 ppm2      3.313 CV     1}
 ASSI {   63}
   (( segid "A   " and resid 75   and name HH2 ))
   (( segid "A   " and resid 75   and name HE1 ))
      2.700     2.700     3.300 {peak    63 spectrum    1 weight  0.10000E+01 volume  0.24646E-02 ppm1      6.706 ppm2      9.680 CV     1}
 ASSI {   64}
   (( segid "A   " and resid 75   and name HH2 ))
   (( segid "A   " and resid 75   and name HZ2 ))
      2.100     0.500     0.500 {peak    64 spectrum    1 weight  0.10000E+01 volume  0.11937E-01 ppm1      6.692 ppm2      6.852 CV     1}
 ASSI {   65}
   (( segid "A   " and resid 75   and name HH2 ))
   (( segid "A   " and resid 75   and name HE3 ))
      3.500     1.500     1.500 {peak    65 spectrum    1 weight  0.10000E+01 volume  0.53484E-03 ppm1      6.692 ppm2      7.371 CV     1}
 ASSI {   66}
   (( segid "A   " and resid 75   and name HH2 ))
   (( segid "A   " and resid 88   and name HN  ))
      3.500     1.600     1.600 {peak    66 spectrum    1 weight  0.10000E+01 volume  0.45772E-03 ppm1      6.683 ppm2      8.239 CV     1}
 ASSI {   67}
   (( segid "A   " and resid 75   and name HH2 ))
   (( segid "A   " and resid 88   and name HA1 ))
      3.400     1.400     1.400 {peak    67 spectrum    1 weight  0.10000E+01 volume  0.63041E-03 ppm1      6.681 ppm2      5.220 CV     1}
 ASSI {   68}
   (( segid "A   " and resid 75   and name HH2 ))
   (( segid "A   " and resid 88   and name HA2 ))
      2.600     0.900     0.900 {peak    68 spectrum    1 weight  0.10000E+01 volume  0.27832E-02 ppm1      6.689 ppm2      4.390 CV     1}
 ASSI {   69}
   (( segid "A   " and resid 75   and name HH2 ))
   (( segid "A   " and resid 86   and name HB1 ))
      4.400     2.400     1.600 {peak    69 spectrum    1 weight  0.10000E+01 volume  0.12088E-03 ppm1      6.698 ppm2      0.928 CV     1}
 ASSI {   71}
   (( segid "A   " and resid 75   and name HZ2 ))
   (( segid "A   " and resid 75   and name HE3 ))
      3.100     3.100     2.900 {peak    71 spectrum    1 weight  0.10000E+01 volume  0.93727E-03 ppm1      6.914 ppm2      7.375 CV     1}
 ASSI {   73}
   (( segid "A   " and resid 75   and name HZ2 ))
   (( segid "A   " and resid 88   and name HA2 ))
      3.300     1.400     1.400 {peak    73 spectrum    1 weight  0.10000E+01 volume  0.67400E-03 ppm1      6.906 ppm2      4.371 CV     1}
 ASSI {   75}
   (( segid "A   " and resid 75   and name HZ2 ))
   (( segid "A   " and resid 86   and name HB2 ))
      3.200     1.300     1.300 {peak    75 spectrum    1 weight  0.10000E+01 volume  0.86681E-03 ppm1      6.915 ppm2      0.435 CV     1}
 ASSI {   77}
   (( segid "A   " and resid 75   and name HZ3 ))
   (( segid "A   " and resid 88   and name HN  ))
      4.000     2.000     2.000 {peak    77 spectrum    1 weight  0.10000E+01 volume  0.23640E-03 ppm1      6.832 ppm2      8.260 CV     1}
 ASSI {   78}
   (( segid "A   " and resid 75   and name HZ3 ))
   (( segid "A   " and resid 75   and name HH2 ))
      2.300     0.700     0.700 {peak    78 spectrum    1 weight  0.10000E+01 volume  0.58682E-02 ppm1      6.838 ppm2      6.725 CV     1}
 ASSI {   79}
   (( segid "A   " and resid 75   and name HZ3 ))
   (( segid "A   " and resid 74   and name HA  ))
      3.000     1.100     1.100 {peak    79 spectrum    1 weight  0.10000E+01 volume  0.11955E-02 ppm1      6.828 ppm2      4.895 CV     1}
 ASSI {   84}
   (  segid "A   " and resid 79   and name HE% )
   (( segid "A   " and resid 80   and name HD2 ))
      2.700     2.700     3.300 {peak    84 spectrum    1 weight  0.10000E+01 volume  0.22969E-02 ppm1      7.140 ppm2      1.379 CV     1}
 OR {   84}
   (  segid "A   " and resid 79   and name HE% )
   (( segid "A   " and resid 80   and name HD1 ))
 ASSI {   85}
   (  segid "A   " and resid 79   and name HE% )
   (( segid "A   " and resid 79   and name HB1 ))
      3.200     1.300     1.300 {peak    85 spectrum    1 weight  0.10000E+01 volume  0.87687E-03 ppm1      7.131 ppm2      2.783 CV     1}
 ASSI {   88}
   (  segid "A   " and resid 101  and name HD% )
   (( segid "A   " and resid 20   and name HA  ))
      3.100     3.100     2.900 {peak    88 spectrum    1 weight  0.10000E+01 volume  0.10496E-02 ppm1      7.411 ppm2      5.112 CV     1}
 ASSI {   89}
   (  segid "A   " and resid 101  and name HD% )
   (( segid "A   " and resid 46   and name HA  ))
      2.800     2.800     3.200 {peak    89 spectrum    1 weight  0.10000E+01 volume  0.17269E-02 ppm1      7.417 ppm2      4.798 CV     1}
 ASSI {   90}
   (  segid "A   " and resid 101  and name HD% )
   (( segid "A   " and resid 20   and name HD2 ))
      3.000     1.200     1.200 {peak    90 spectrum    1 weight  0.10000E+01 volume  0.11502E-02 ppm1      7.410 ppm2      3.319 CV     1}
 OR {   90}
   (  segid "A   " and resid 101  and name HD% )
   (( segid "A   " and resid 20   and name HD1 ))
 ASSI {   91}
   (  segid "A   " and resid 101  and name HD% )
   (( segid "A   " and resid 101  and name HB1 ))
      2.900     1.000     1.000 {peak    91 spectrum    1 weight  0.10000E+01 volume  0.16380E-02 ppm1      7.408 ppm2      2.944 CV     1}
 OR {   91}
   (  segid "A   " and resid 101  and name HD% )
   (( segid "A   " and resid 101  and name HB2 ))
 ASSI {   92}
   (  segid "A   " and resid 101  and name HD% )
   (( segid "A   " and resid 20   and name HB2 ))
      3.100     1.200     1.200 {peak    92 spectrum    1 weight  0.10000E+01 volume  0.10664E-02 ppm1      7.409 ppm2      2.055 CV     1}
 ASSI {   93}
   (  segid "A   " and resid 101  and name HD% )
   (( segid "A   " and resid 20   and name HB1 ))
      3.000     1.100     1.100 {peak    93 spectrum    1 weight  0.10000E+01 volume  0.12993E-02 ppm1      7.410 ppm2      1.663 CV     1}
 ASSI {   94}
   (  segid "A   " and resid 101  and name HD% )
   (  segid "A   " and resid 18   and name HG2%)
      3.000     1.100     1.100 {peak    94 spectrum    1 weight  0.10000E+01 volume  0.13665E-02 ppm1      7.412 ppm2      0.785 CV     1}
 ASSI {   96}
   (  segid "A   " and resid 101  and name HD% )
   (  segid "A   " and resid 68   and name HG2%)
      3.000     1.200     1.200 {peak    96 spectrum    1 weight  0.10000E+01 volume  0.11418E-02 ppm1      7.410 ppm2     -0.077 CV     1}
 ASSI {   97}
   (  segid "A   " and resid 101  and name HE% )
   (( segid "A   " and resid 20   and name HN  ))
      3.000     1.100     1.100 {peak    97 spectrum    1 weight  0.10000E+01 volume  0.12424E-02 ppm1      7.637 ppm2      9.270 CV     1}
 ASSI {   98}
   (  segid "A   " and resid 101  and name HE% )
   (  segid "A   " and resid 101  and name HD% )
      2.200     0.600     0.600 {peak    98 spectrum    1 weight  0.10000E+01 volume  0.82154E-02 ppm1      7.635 ppm2      7.412 CV     1}
 ASSI {   99}
   (  segid "A   " and resid 101  and name HE% )
   (( segid "A   " and resid 20   and name HA  ))
      2.800     2.800     3.200 {peak    99 spectrum    1 weight  0.10000E+01 volume  0.18946E-02 ppm1      7.637 ppm2      5.110 CV     1}
 ASSI {  100}
   (  segid "A   " and resid 101  and name HE% )
   (( segid "A   " and resid 46   and name HA  ))
      2.800     1.000     1.000 {peak   100 spectrum    1 weight  0.10000E+01 volume  0.20120E-02 ppm1      7.627 ppm2      4.818 CV     1}
 ASSI {  101}
   (  segid "A   " and resid 101  and name HE% )
   (( segid "A   " and resid 46   and name HB1 ))
      2.700     0.900     0.900 {peak   101 spectrum    1 weight  0.10000E+01 volume  0.23640E-02 ppm1      7.637 ppm2      3.332 CV     1}
 OR {  101}
   (  segid "A   " and resid 101  and name HE% )
   (( segid "A   " and resid 46   and name HB2 ))
 ASSI {  102}
   (  segid "A   " and resid 101  and name HE% )
   (( segid "A   " and resid 19   and name HB  ))
      3.500     1.600     1.600 {peak   102 spectrum    1 weight  0.10000E+01 volume  0.45940E-03 ppm1      7.638 ppm2      2.125 CV     1}
 ASSI {  103}
   (  segid "A   " and resid 101  and name HE% )
   (( segid "A   " and resid 20   and name HB1 ))
      3.500     1.500     1.500 {peak   103 spectrum    1 weight  0.10000E+01 volume  0.50970E-03 ppm1      7.627 ppm2      1.679 CV     1}
 ASSI {  104}
   (  segid "A   " and resid 101  and name HE% )
   (  segid "A   " and resid 107  and name HD1%)
      3.100     1.200     1.200 {peak   104 spectrum    1 weight  0.10000E+01 volume  0.11133E-02 ppm1      7.641 ppm2      0.612 CV     1}
 ASSI {  105}
   (  segid "A   " and resid 101  and name HE% )
   (  segid "A   " and resid 18   and name HG2%)
      3.600     1.600     1.600 {peak   105 spectrum    1 weight  0.10000E+01 volume  0.41077E-03 ppm1      7.627 ppm2      0.745 CV     1}
 ASSI {  107}
   (( segid "A   " and resid 75   and name HD1 ))
   (( segid "A   " and resid 76   and name HN  ))
      3.700     1.700     1.700 {peak   107 spectrum    1 weight  0.10000E+01 volume  0.37388E-03 ppm1      6.950 ppm2      9.063 CV     1}
 ASSI {  108}
   (( segid "A   " and resid 59   and name HD2 ))
   (( segid "A   " and resid 56   and name HB2 ))
      4.800     2.900     1.200 {peak   108 spectrum    1 weight  0.10000E+01 volume  0.75448E-04 ppm1      6.855 ppm2      3.465 CV     1}
 ASSI {    1}
   (( segid "A   " and resid 80   and name HD2 ))
   (( segid "A   " and resid 80   and name HE2 ))
      2.700     0.900     0.900 {peak     1 spectrum    1 weight  0.10000E+01 volume  0.25570E-02 ppm1      1.386 ppm2      2.796 CV     1}
 OR {    1}
   (( segid "A   " and resid 80   and name HD1 ))
   (( segid "A   " and resid 80   and name HE1 ))
 OR {    1}
   (( segid "A   " and resid 80   and name HD2 ))
   (( segid "A   " and resid 80   and name HE1 ))
 OR {    1}
   (( segid "A   " and resid 80   and name HD1 ))
   (( segid "A   " and resid 80   and name HE2 ))
 ASSI {    2}
   (( segid "A   " and resid 80   and name HD2 ))
   (  segid "A   " and resid 79   and name HD% )
      3.000     1.100     1.100 {peak     2 spectrum    1 weight  0.10000E+01 volume  0.13294E-02 ppm1      1.384 ppm2      7.175 CV     1}
 OR {    2}
   (( segid "A   " and resid 80   and name HD1 ))
   (  segid "A   " and resid 79   and name HD% )
 ASSI {    3}
   (( segid "A   " and resid 80   and name HD2 ))
   (( segid "A   " and resid 80   and name HG2 ))
      3.200     1.300     1.300 {peak     3 spectrum    1 weight  0.10000E+01 volume  0.87607E-03 ppm1      1.387 ppm2      0.689 CV     1}
 OR {    3}
   (( segid "A   " and resid 80   and name HD1 ))
   (( segid "A   " and resid 80   and name HG2 ))
 ASSI {    4}
   (( segid "A   " and resid 80   and name HD1 ))
   (( segid "A   " and resid 80   and name HG1 ))
      3.000     1.100     1.100 {peak     4 spectrum    1 weight  0.10000E+01 volume  0.12631E-02 ppm1      1.384 ppm2      0.418 CV     1}
 OR {    4}
   (( segid "A   " and resid 80   and name HD2 ))
   (( segid "A   " and resid 80   and name HG1 ))
 ASSI {    5}
   (  segid "A   " and resid 39   and name HD1%)
   (( segid "A   " and resid 40   and name HA  ))
      3.400     1.500     1.500 {peak     5 spectrum    1 weight  0.10000E+01 volume  0.55518E-03 ppm1      0.145 ppm2      4.494 CV     1}
 ASSI {    6}
   (( segid "A   " and resid 105  and name HB1 ))
   (( segid "A   " and resid 105  and name HN  ))
      2.900     1.100     1.100 {peak     6 spectrum    1 weight  0.10000E+01 volume  0.14313E-02 ppm1      3.895 ppm2      7.912 CV     1}
 ASSI {    8}
   (( segid "A   " and resid 21   and name HA  ))
   (( segid "A   " and resid 44   and name HA  ))
      2.500     0.800     0.800 {peak     8 spectrum    1 weight  0.10000E+01 volume  0.33617E-02 ppm1      4.019 ppm2      5.621 CV     1}
 ASSI {   10}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 10   and name HB1 ))
      2.100     0.500     0.500 {peak    10 spectrum    1 weight  0.10000E+01 volume  0.10696E-01 ppm1      4.025 ppm2      2.038 CV     1}
 ASSI {   11}
   (( segid "A   " and resid 10   and name HA  ))
   (  segid "A   " and resid 83   and name HG1%)
      2.000     0.500     0.500 {peak    11 spectrum    1 weight  0.10000E+01 volume  0.12275E-01 ppm1      4.023 ppm2      0.689 CV     1}
 OR {   11}
   (( segid "A   " and resid 10   and name HA  ))
   (  segid "A   " and resid 83   and name HG2%)
 ASSI {   12}
   (( segid "A   " and resid 10   and name HA  ))
   (  segid "A   " and resid 76   and name HG2%)
      2.900     1.100     1.100 {peak    12 spectrum    1 weight  0.10000E+01 volume  0.13701E-02 ppm1      4.024 ppm2      1.198 CV     1}
 ASSI {   15}
   (( segid "A   " and resid 83   and name HA  ))
   (( segid "A   " and resid 84   and name HN  ))
      2.200     0.600     0.600 {peak    15 spectrum    1 weight  0.10000E+01 volume  0.73855E-02 ppm1      4.223 ppm2      8.636 CV     1}
 ASSI {   16}
   (( segid "A   " and resid 36   and name HA  ))
   (( segid "A   " and resid 37   and name HN  ))
      2.100     0.500     0.500 {peak    16 spectrum    1 weight  0.10000E+01 volume  0.11053E-01 ppm1      4.676 ppm2      8.990 CV     1}
 ASSI {   17}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 43   and name HG12))
      3.300     1.400     1.400 {peak    17 spectrum    1 weight  0.10000E+01 volume  0.69271E-03 ppm1      0.743 ppm2      1.231 CV     1}
 ASSI {   18}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 43   and name HG11))
      2.800     1.000     1.000 {peak    18 spectrum    1 weight  0.10000E+01 volume  0.18439E-02 ppm1      0.744 ppm2      1.489 CV     1}
 ASSI {   19}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 43   and name HB  ))
      3.000     1.200     1.200 {peak    19 spectrum    1 weight  0.10000E+01 volume  0.11205E-02 ppm1      0.743 ppm2      1.789 CV     1}
 ASSI {   20}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 23   and name HG2 ))
      3.400     1.500     1.500 {peak    20 spectrum    1 weight  0.10000E+01 volume  0.53482E-03 ppm1      0.741 ppm2      2.109 CV     1}
 OR {   20}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 23   and name HG1 ))
 ASSI {   21}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 52   and name HE2 ))
      3.600     1.600     1.600 {peak    21 spectrum    1 weight  0.10000E+01 volume  0.43855E-03 ppm1      0.743 ppm2      2.802 CV     1}
 OR {   21}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 52   and name HE1 ))
 ASSI {   22}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 52   and name HA  ))
      2.600     0.800     0.800 {peak    22 spectrum    1 weight  0.10000E+01 volume  0.31885E-02 ppm1      0.744 ppm2      4.769 CV     1}
 ASSI {   24}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 44   and name HN  ))
      3.700     1.700     1.700 {peak    24 spectrum    1 weight  0.10000E+01 volume  0.34585E-03 ppm1      0.745 ppm2      8.982 CV     1}
 ASSI {   25}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 51   and name HN  ))
      3.700     3.700     2.300 {peak    25 spectrum    1 weight  0.10000E+01 volume  0.33566E-03 ppm1      0.747 ppm2      9.171 CV     1}
 ASSI {   26}
   (  segid "A   " and resid 107  and name HD1%)
   (( segid "A   " and resid 107  and name HG12))
      2.600     0.800     0.800 {peak    26 spectrum    1 weight  0.10000E+01 volume  0.29796E-02 ppm1      0.640 ppm2      1.125 CV     1}
 ASSI {   27}
   (  segid "A   " and resid 107  and name HD1%)
   (( segid "A   " and resid 107  and name HG11))
      3.100     1.200     1.200 {peak    27 spectrum    1 weight  0.10000E+01 volume  0.99832E-03 ppm1      0.641 ppm2      1.488 CV     1}
 ASSI {   28}
   (  segid "A   " and resid 107  and name HD1%)
   (( segid "A   " and resid 22   and name HB1 ))
      3.500     3.500     2.500 {peak    28 spectrum    1 weight  0.10000E+01 volume  0.48796E-03 ppm1      0.641 ppm2      1.618 CV     1}
 ASSI {   29}
   (  segid "A   " and resid 107  and name HD1%)
   (( segid "A   " and resid 47   and name HB1 ))
      2.800     2.800     3.200 {peak    29 spectrum    1 weight  0.10000E+01 volume  0.20629E-02 ppm1      0.641 ppm2      1.924 CV     1}
 ASSI {   30}
   (  segid "A   " and resid 107  and name HD1%)
   (( segid "A   " and resid 106  and name HB1 ))
      4.600     2.700     1.400 {peak    30 spectrum    1 weight  0.10000E+01 volume  0.91177E-04 ppm1      0.641 ppm2      2.025 CV     1}
 ASSI {   31}
   (  segid "A   " and resid 107  and name HD1%)
   (( segid "A   " and resid 104  and name HB2 ))
      3.400     1.400     1.400 {peak    31 spectrum    1 weight  0.10000E+01 volume  0.58066E-03 ppm1      0.644 ppm2      3.900 CV     1}
 OR {   31}
   (  segid "A   " and resid 107  and name HD1%)
   (( segid "A   " and resid 104  and name HB1 ))
 ASSI {   32}
   (  segid "A   " and resid 107  and name HD1%)
   (( segid "A   " and resid 20   and name HD2 ))
      4.200     2.200     1.800 {peak    32 spectrum    1 weight  0.10000E+01 volume  0.15739E-03 ppm1      0.646 ppm2      3.333 CV     1}
 OR {   32}
   (  segid "A   " and resid 107  and name HD1%)
   (( segid "A   " and resid 20   and name HD1 ))
 ASSI {   33}
   (  segid "A   " and resid 107  and name HD1%)
   (( segid "A   " and resid 46   and name HA  ))
      3.500     1.500     1.500 {peak    33 spectrum    1 weight  0.10000E+01 volume  0.51953E-03 ppm1      0.629 ppm2      4.810 CV     1}
 ASSI {   34}
   (  segid "A   " and resid 107  and name HD1%)
   (( segid "A   " and resid 20   and name HA  ))
      3.500     1.500     1.500 {peak    34 spectrum    1 weight  0.10000E+01 volume  0.47573E-03 ppm1      0.645 ppm2      5.080 CV     1}
 ASSI {   35}
   (  segid "A   " and resid 107  and name HD1%)
   (  segid "A   " and resid 101  and name HD% )
      3.300     1.400     1.400 {peak    35 spectrum    1 weight  0.10000E+01 volume  0.67234E-03 ppm1      0.644 ppm2      7.411 CV     1}
 ASSI {   37}
   (  segid "A   " and resid 107  and name HD1%)
   (( segid "A   " and resid 46   and name HN  ))
      3.900     1.900     1.900 {peak    37 spectrum    1 weight  0.10000E+01 volume  0.23735E-03 ppm1      0.637 ppm2      9.225 CV     1}
 ASSI {   38}
   (  segid "A   " and resid 107  and name HD1%)
   (( segid "A   " and resid 103  and name HA  ))
      3.300     1.400     1.400 {peak    38 spectrum    1 weight  0.10000E+01 volume  0.69780E-03 ppm1      0.642 ppm2      4.284 CV     1}
 ASSI {   39}
   (  segid "A   " and resid 107  and name HD1%)
   (( segid "A   " and resid 107  and name HA  ))
      2.900     1.100     1.100 {peak    39 spectrum    1 weight  0.10000E+01 volume  0.13854E-02 ppm1      0.644 ppm2      4.407 CV     1}
 ASSI {   40}
   (  segid "A   " and resid 107  and name HD1%)
   (( segid "A   " and resid 101  and name HB1 ))
      5.400     3.600     0.600 {peak    40 spectrum    1 weight  0.10000E+01 volume  0.36266E-04 ppm1      0.635 ppm2      2.927 CV     1}
 OR {   40}
   (  segid "A   " and resid 107  and name HD1%)
   (( segid "A   " and resid 101  and name HB2 ))
 ASSI {   41}
   (  segid "A   " and resid 93   and name HD1%)
   (  segid "A   " and resid 93   and name HG2%)
      2.500     0.800     0.800 {peak    41 spectrum    1 weight  0.10000E+01 volume  0.38353E-02 ppm1      0.267 ppm2      0.542 CV     1}
 ASSI {   42}
   (  segid "A   " and resid 93   and name HD1%)
   (( segid "A   " and resid 93   and name HG11))
      2.400     0.700     0.700 {peak    42 spectrum    1 weight  0.10000E+01 volume  0.43294E-02 ppm1      0.267 ppm2      0.654 CV     1}
 ASSI {   43}
   (  segid "A   " and resid 93   and name HD1%)
   (( segid "A   " and resid 55   and name HB1 ))
      2.600     2.600     3.400 {peak    43 spectrum    1 weight  0.10000E+01 volume  0.28880E-02 ppm1      0.269 ppm2      0.988 CV     1}
 ASSI {   44}
   (  segid "A   " and resid 93   and name HD1%)
   (( segid "A   " and resid 93   and name HG12))
      2.600     0.900     0.900 {peak    44 spectrum    1 weight  0.10000E+01 volume  0.28167E-02 ppm1      0.268 ppm2      1.088 CV     1}
 ASSI {   47}
   (  segid "A   " and resid 93   and name HD1%)
   (( segid "A   " and resid 59   and name HB2 ))
      3.900     1.900     1.900 {peak    47 spectrum    1 weight  0.10000E+01 volume  0.23583E-03 ppm1      0.267 ppm2      2.807 CV     1}
 ASSI {   48}
   (  segid "A   " and resid 93   and name HD1%)
   (( segid "A   " and resid 93   and name HA  ))
      3.000     1.100     1.100 {peak    48 spectrum    1 weight  0.10000E+01 volume  0.11817E-02 ppm1      0.269 ppm2      4.805 CV     1}
 ASSI {   49}
   (  segid "A   " and resid 93   and name HD1%)
   (( segid "A   " and resid 55   and name HA  ))
      3.500     1.600     1.600 {peak    49 spectrum    1 weight  0.10000E+01 volume  0.45434E-03 ppm1      0.271 ppm2      4.544 CV     1}
 ASSI {   51}
   (  segid "A   " and resid 93   and name HD1%)
   (( segid "A   " and resid 94   and name HN  ))
      4.900     3.000     1.100 {peak    51 spectrum    1 weight  0.10000E+01 volume  0.65197E-04 ppm1      0.266 ppm2      8.655 CV     1}
 ASSI {   55}
   (  segid "A   " and resid 30   and name HD1%)
   (( segid "A   " and resid 30   and name HG12))
      2.600     0.900     0.900 {peak    55 spectrum    1 weight  0.10000E+01 volume  0.27861E-02 ppm1      0.677 ppm2      1.369 CV     1}
 ASSI {   56}
   (  segid "A   " and resid 30   and name HD1%)
   (( segid "A   " and resid 39   and name HB  ))
      3.500     1.500     1.500 {peak    56 spectrum    1 weight  0.10000E+01 volume  0.48592E-03 ppm1      0.677 ppm2      1.193 CV     1}
 ASSI {   60}
   (  segid "A   " and resid 30   and name HD1%)
   (( segid "A   " and resid 56   and name HE3 ))
      4.400     2.400     1.600 {peak    60 spectrum    1 weight  0.10000E+01 volume  0.13141E-03 ppm1      0.673 ppm2      7.501 CV     1}
 ASSI {   61}
   (  segid "A   " and resid 30   and name HD1%)
   (( segid "A   " and resid 30   and name HN  ))
      3.800     1.800     1.800 {peak    61 spectrum    1 weight  0.10000E+01 volume  0.27760E-03 ppm1      0.675 ppm2      9.113 CV     1}
 ASSI {   62}
   (  segid "A   " and resid 63   and name HD1%)
   (  segid "A   " and resid 42   and name HB% )
      2.400     0.700     0.700 {peak    62 spectrum    1 weight  0.10000E+01 volume  0.41562E-02 ppm1      0.518 ppm2      1.309 CV     1}
 ASSI {   63}
   (  segid "A   " and resid 63   and name HD1%)
   (( segid "A   " and resid 63   and name HB  ))
      3.800     1.800     1.800 {peak    63 spectrum    1 weight  0.10000E+01 volume  0.31834E-03 ppm1      0.519 ppm2      1.771 CV     1}
 ASSI {   64}
   (  segid "A   " and resid 63   and name HD1%)
   (( segid "A   " and resid 53   and name HB1 ))
      3.300     3.300     2.700 {peak    64 spectrum    1 weight  0.10000E+01 volume  0.71818E-03 ppm1      0.516 ppm2      1.538 CV     1}
 ASSI {   65}
   (  segid "A   " and resid 63   and name HD1%)
   (( segid "A   " and resid 63   and name HA  ))
      3.300     1.300     1.300 {peak    65 spectrum    1 weight  0.10000E+01 volume  0.72328E-03 ppm1      0.520 ppm2      4.938 CV     1}
 ASSI {   66}
   (  segid "A   " and resid 63   and name HD1%)
   (( segid "A   " and resid 63   and name HN  ))
      3.900     1.900     1.900 {peak    66 spectrum    1 weight  0.10000E+01 volume  0.24500E-03 ppm1      0.514 ppm2      7.046 CV     1}
 ASSI {   67}
   (  segid "A   " and resid 63   and name HD1%)
   (( segid "A   " and resid 64   and name HA  ))
      4.100     2.200     1.900 {peak    67 spectrum    1 weight  0.10000E+01 volume  0.17521E-03 ppm1      0.515 ppm2      4.520 CV     1}
 ASSI {   68}
   (  segid "A   " and resid 71   and name HD1%)
   (( segid "A   " and resid 71   and name HN  ))
      3.800     1.800     1.800 {peak    68 spectrum    1 weight  0.10000E+01 volume  0.29135E-03 ppm1      0.430 ppm2      9.072 CV     1}
 ASSI {   69}
   (  segid "A   " and resid 71   and name HD1%)
   (( segid "A   " and resid 71   and name HA  ))
      3.500     1.500     1.500 {peak    69 spectrum    1 weight  0.10000E+01 volume  0.46962E-03 ppm1      0.429 ppm2      4.725 CV     1}
 ASSI {   70}
   (  segid "A   " and resid 71   and name HD1%)
   (( segid "A   " and resid 71   and name HB  ))
      3.200     1.300     1.300 {peak    70 spectrum    1 weight  0.10000E+01 volume  0.83533E-03 ppm1      0.428 ppm2      1.770 CV     1}
 ASSI {   71}
   (  segid "A   " and resid 71   and name HD1%)
   (( segid "A   " and resid 71   and name HG12))
      3.100     1.200     1.200 {peak    71 spectrum    1 weight  0.10000E+01 volume  0.97791E-03 ppm1      0.428 ppm2      1.477 CV     1}
 ASSI {   72}
   (  segid "A   " and resid 71   and name HD1%)
   (( segid "A   " and resid 93   and name HG12))
      3.100     1.200     1.200 {peak    72 spectrum    1 weight  0.10000E+01 volume  0.11053E-02 ppm1      0.429 ppm2      1.058 CV     1}
 ASSI {   73}
   (  segid "A   " and resid 39   and name HD1%)
   (  segid "A   " and resid 30   and name HG2%)
      2.500     0.800     0.800 {peak    73 spectrum    1 weight  0.10000E+01 volume  0.33923E-02 ppm1      0.146 ppm2      0.774 CV     1}
 ASSI {   75}
   (  segid "A   " and resid 39   and name HD1%)
   (( segid "A   " and resid 41   and name HB2 ))
      3.400     3.400     2.600 {peak    75 spectrum    1 weight  0.10000E+01 volume  0.54500E-03 ppm1      0.143 ppm2      1.822 CV     1}
 ASSI {   76}
   (  segid "A   " and resid 39   and name HD1%)
   (( segid "A   " and resid 41   and name HG1 ))
      3.600     1.600     1.600 {peak    76 spectrum    1 weight  0.10000E+01 volume  0.39831E-03 ppm1      0.148 ppm2      1.947 CV     1}
 ASSI {   77}
   (  segid "A   " and resid 39   and name HD1%)
   (( segid "A   " and resid 39   and name HG12))
      3.800     1.800     1.800 {peak    77 spectrum    1 weight  0.10000E+01 volume  0.30153E-03 ppm1      0.143 ppm2      0.458 CV     1}
 ASSI {   78}
   (  segid "A   " and resid 39   and name HD1%)
   (( segid "A   " and resid 39   and name HA  ))
      4.500     2.600     1.500 {peak    78 spectrum    1 weight  0.10000E+01 volume  0.10391E-03 ppm1      0.143 ppm2      5.425 CV     1}
 ASSI {   79}
   (  segid "A   " and resid 39   and name HD1%)
   (( segid "A   " and resid 55   and name HN  ))
      3.500     3.500     2.500 {peak    79 spectrum    1 weight  0.10000E+01 volume  0.48541E-03 ppm1      0.147 ppm2      8.734 CV     1}
 ASSI {   81}
   (  segid "A   " and resid 107  and name HG2%)
   (( segid "A   " and resid 22   and name HG  ))
      2.600     2.600     3.400 {peak    81 spectrum    1 weight  0.10000E+01 volume  0.30969E-02 ppm1      1.153 ppm2      0.781 CV     1}
 ASSI {   82}
   (  segid "A   " and resid 107  and name HG2%)
   (  segid "A   " and resid 107  and name HD1%)
      2.500     0.800     0.800 {peak    82 spectrum    1 weight  0.10000E+01 volume  0.32751E-02 ppm1      1.153 ppm2      0.642 CV     1}
 ASSI {   84}
   (  segid "A   " and resid 107  and name HG2%)
   (( segid "A   " and resid 107  and name HG11))
      3.000     1.100     1.100 {peak    84 spectrum    1 weight  0.10000E+01 volume  0.12479E-02 ppm1      1.154 ppm2      1.469 CV     1}
 ASSI {   85}
   (  segid "A   " and resid 107  and name HG2%)
   (( segid "A   " and resid 50   and name HG2 ))
      2.700     0.900     0.900 {peak    85 spectrum    1 weight  0.10000E+01 volume  0.20832E-02 ppm1      1.154 ppm2      1.569 CV     1}
 OR {   85}
   (  segid "A   " and resid 107  and name HG2%)
   (( segid "A   " and resid 50   and name HG1 ))
 ASSI {   86}
   (  segid "A   " and resid 107  and name HG2%)
   (( segid "A   " and resid 108  and name HD2 ))
      2.800     1.000     1.000 {peak    86 spectrum    1 weight  0.10000E+01 volume  0.18642E-02 ppm1      1.153 ppm2      3.887 CV     1}
 ASSI {   87}
   (  segid "A   " and resid 107  and name HG2%)
   (( segid "A   " and resid 45   and name HA1 ))
      2.800     1.000     1.000 {peak    87 spectrum    1 weight  0.10000E+01 volume  0.17114E-02 ppm1      1.152 ppm2      4.242 CV     1}
 ASSI {   88}
   (  segid "A   " and resid 107  and name HG2%)
   (( segid "A   " and resid 107  and name HA  ))
      2.700     0.900     0.900 {peak    88 spectrum    1 weight  0.10000E+01 volume  0.23684E-02 ppm1      1.153 ppm2      4.407 CV     1}
 ASSI {   89}
   (  segid "A   " and resid 107  and name HG2%)
   (( segid "A   " and resid 45   and name HA2 ))
      3.300     1.400     1.400 {peak    89 spectrum    1 weight  0.10000E+01 volume  0.64178E-03 ppm1      1.152 ppm2      5.047 CV     1}
 ASSI {   91}
   (  segid "A   " and resid 107  and name HG2%)
   (( segid "A   " and resid 50   and name HE  ))
      4.800     2.900     1.200 {peak    91 spectrum    1 weight  0.10000E+01 volume  0.71818E-04 ppm1      1.150 ppm2      6.435 CV     1}
 ASSI {   92}
   (  segid "A   " and resid 107  and name HG2%)
   (( segid "A   " and resid 107  and name HN  ))
      3.600     1.600     1.600 {peak    92 spectrum    1 weight  0.10000E+01 volume  0.42989E-03 ppm1      1.154 ppm2      7.096 CV     1}
 ASSI {   94}
   (  segid "A   " and resid 12   and name HE% )
   (  segid "A   " and resid 8    and name HD1%)
      2.500     0.800     0.800 {peak    94 spectrum    1 weight  0.10000E+01 volume  0.32954E-02 ppm1      2.194 ppm2      0.707 CV     1}
 ASSI {   95}
   (  segid "A   " and resid 12   and name HE% )
   (( segid "A   " and resid 9    and name HE2 ))
      3.500     1.500     1.500 {peak    95 spectrum    1 weight  0.10000E+01 volume  0.52972E-03 ppm1      2.193 ppm2      3.033 CV     1}
 OR {   95}
   (  segid "A   " and resid 12   and name HE% )
   (( segid "A   " and resid 9    and name HE1 ))
 ASSI {   96}
   (  segid "A   " and resid 12   and name HE% )
   (( segid "A   " and resid 12   and name HA  ))
      3.400     1.400     1.400 {peak    96 spectrum    1 weight  0.10000E+01 volume  0.58575E-03 ppm1      2.194 ppm2      4.523 CV     1}
 ASSI {   97}
   (  segid "A   " and resid 12   and name HE% )
   (  segid "A   " and resid 15   and name HG1%)
      2.600     0.800     0.800 {peak    97 spectrum    1 weight  0.10000E+01 volume  0.32446E-02 ppm1      2.194 ppm2      0.847 CV     1}
 ASSI {   98}
   (  segid "A   " and resid 12   and name HE% )
   (( segid "A   " and resid 9    and name HN  ))
      3.300     1.400     1.400 {peak    98 spectrum    1 weight  0.10000E+01 volume  0.64178E-03 ppm1      2.195 ppm2      7.630 CV     1}
 ASSI {   99}
   (  segid "A   " and resid 12   and name HE% )
   (( segid "A   " and resid 8    and name HA  ))
      3.400     1.400     1.400 {peak    99 spectrum    1 weight  0.10000E+01 volume  0.57556E-03 ppm1      2.193 ppm2      3.978 CV     1}
 ASSI {  100}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 43   and name HG12))
      3.300     1.300     1.300 {peak   100 spectrum    1 weight  0.10000E+01 volume  0.72328E-03 ppm1      0.851 ppm2      1.216 CV     1}
 ASSI {  101}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 43   and name HG11))
      2.600     0.900     0.900 {peak   101 spectrum    1 weight  0.10000E+01 volume  0.27657E-02 ppm1      0.853 ppm2      1.498 CV     1}
 ASSI {  102}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 43   and name HB  ))
      2.600     0.900     0.900 {peak   102 spectrum    1 weight  0.10000E+01 volume  0.26435E-02 ppm1      0.852 ppm2      1.774 CV     1}
 ASSI {  103}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 52   and name HE2 ))
      3.400     1.400     1.400 {peak   103 spectrum    1 weight  0.10000E+01 volume  0.61631E-03 ppm1      0.857 ppm2      2.800 CV     1}
 OR {  103}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 52   and name HE1 ))
 ASSI {  104}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 23   and name HA  ))
      4.300     2.400     1.700 {peak   104 spectrum    1 weight  0.10000E+01 volume  0.13447E-03 ppm1      0.849 ppm2      4.472 CV     1}
 ASSI {  105}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 43   and name HA  ))
      2.700     0.900     0.900 {peak   105 spectrum    1 weight  0.10000E+01 volume  0.21698E-02 ppm1      0.852 ppm2      4.797 CV     1}
 ASSI {  106}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 44   and name HA  ))
      3.600     1.700     1.700 {peak   106 spectrum    1 weight  0.10000E+01 volume  0.38405E-03 ppm1      0.853 ppm2      5.627 CV     1}
 ASSI {  107}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 23   and name HN  ))
      4.000     2.000     2.000 {peak   107 spectrum    1 weight  0.10000E+01 volume  0.21494E-03 ppm1      0.850 ppm2      7.579 CV     1}
 ASSI {  108}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 43   and name HN  ))
      3.600     1.600     1.600 {peak   108 spectrum    1 weight  0.10000E+01 volume  0.43906E-03 ppm1      0.850 ppm2      8.529 CV     1}
 ASSI {  109}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 44   and name HN  ))
      3.100     1.200     1.200 {peak   109 spectrum    1 weight  0.10000E+01 volume  0.10187E-02 ppm1      0.853 ppm2      8.961 CV     1}
 ASSI {  110}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 51   and name HN  ))
      3.200     1.300     1.300 {peak   110 spectrum    1 weight  0.10000E+01 volume  0.77930E-03 ppm1      0.852 ppm2      9.174 CV     1}
 ASSI {  111}
   (  segid "A   " and resid 30   and name HG2%)
   (( segid "A   " and resid 30   and name HN  ))
      3.200     1.300     1.300 {peak   111 spectrum    1 weight  0.10000E+01 volume  0.75893E-03 ppm1      0.779 ppm2      9.091 CV     1}
 ASSI {  112}
   (  segid "A   " and resid 30   and name HG2%)
   (( segid "A   " and resid 31   and name HN  ))
      3.700     1.800     1.800 {peak   112 spectrum    1 weight  0.10000E+01 volume  0.32241E-03 ppm1      0.776 ppm2      8.406 CV     1}
 ASSI {  115}
   (  segid "A   " and resid 30   and name HG2%)
   (( segid "A   " and resid 31   and name HG1 ))
      4.400     2.400     1.600 {peak   115 spectrum    1 weight  0.10000E+01 volume  0.12734E-03 ppm1      0.781 ppm2      2.382 CV     1}
 OR {  115}
   (  segid "A   " and resid 30   and name HG2%)
   (( segid "A   " and resid 31   and name HG2 ))
 ASSI {  119}
   (  segid "A   " and resid 63   and name HG2%)
   (( segid "A   " and resid 63   and name HG12))
      2.200     0.600     0.600 {peak   119 spectrum    1 weight  0.10000E+01 volume  0.80477E-02 ppm1      0.718 ppm2      1.065 CV     1}
 ASSI {  120}
   (  segid "A   " and resid 63   and name HG2%)
   (( segid "A   " and resid 63   and name HB  ))
      2.700     0.900     0.900 {peak   120 spectrum    1 weight  0.10000E+01 volume  0.21393E-02 ppm1      0.718 ppm2      1.756 CV     1}
 ASSI {  122}
   (  segid "A   " and resid 63   and name HG2%)
   (( segid "A   " and resid 63   and name HN  ))
      3.300     1.300     1.300 {peak   122 spectrum    1 weight  0.10000E+01 volume  0.72837E-03 ppm1      0.716 ppm2      7.030 CV     1}
 ASSI {  124}
   (  segid "A   " and resid 44   and name HG1%)
   (( segid "A   " and resid 44   and name HA  ))
      3.200     1.300     1.300 {peak   124 spectrum    1 weight  0.10000E+01 volume  0.79459E-03 ppm1      0.643 ppm2      5.623 CV     1}
 ASSI {  125}
   (  segid "A   " and resid 44   and name HG1%)
   (( segid "A   " and resid 52   and name HA  ))
      4.900     3.000     1.100 {peak   125 spectrum    1 weight  0.10000E+01 volume  0.66215E-04 ppm1      0.643 ppm2      4.767 CV     1}
 ASSI {  126}
   (  segid "A   " and resid 44   and name HG1%)
   (( segid "A   " and resid 53   and name HA  ))
      3.800     1.800     1.800 {peak   126 spectrum    1 weight  0.10000E+01 volume  0.30459E-03 ppm1      0.645 ppm2      5.037 CV     1}
 ASSI {  127}
   (  segid "A   " and resid 44   and name HG1%)
   (( segid "A   " and resid 44   and name HB  ))
      3.300     1.300     1.300 {peak   127 spectrum    1 weight  0.10000E+01 volume  0.71309E-03 ppm1      0.642 ppm2      1.949 CV     1}
 ASSI {  128}
   (  segid "A   " and resid 44   and name HG1%)
   (( segid "A   " and resid 85   and name HB1 ))
      2.600     2.600     3.400 {peak   128 spectrum    1 weight  0.10000E+01 volume  0.28167E-02 ppm1      0.641 ppm2      1.540 CV     1}
 ASSI {  129}
   (  segid "A   " and resid 44   and name HG1%)
   (( segid "A   " and resid 54   and name HN  ))
      3.200     3.200     2.800 {peak   129 spectrum    1 weight  0.10000E+01 volume  0.79459E-03 ppm1      0.643 ppm2      8.698 CV     1}
 ASSI {  130}
   (  segid "A   " and resid 44   and name HG1%)
   (( segid "A   " and resid 44   and name HN  ))
      2.400     0.700     0.700 {peak   130 spectrum    1 weight  0.10000E+01 volume  0.49203E-02 ppm1      0.643 ppm2      8.950 CV     1}
 ASSI {  132}
   (  segid "A   " and resid 71   and name HG2%)
   (  segid "A   " and resid 91   and name HG2%)
      2.300     0.700     0.700 {peak   132 spectrum    1 weight  0.10000E+01 volume  0.57047E-02 ppm1      0.620 ppm2      1.126 CV     1}
 ASSI {  133}
   (  segid "A   " and resid 71   and name HG2%)
   (( segid "A   " and resid 71   and name HB  ))
      3.100     1.200     1.200 {peak   133 spectrum    1 weight  0.10000E+01 volume  0.10391E-02 ppm1      0.619 ppm2      1.779 CV     1}
 ASSI {  134}
   (  segid "A   " and resid 71   and name HG2%)
   (( segid "A   " and resid 71   and name HA  ))
      2.500     0.800     0.800 {peak   134 spectrum    1 weight  0.10000E+01 volume  0.40290E-02 ppm1      0.620 ppm2      4.719 CV     1}
 ASSI {  135}
   (  segid "A   " and resid 71   and name HG2%)
   (( segid "A   " and resid 17   and name HN  ))
      2.600     0.900     0.900 {peak   135 spectrum    1 weight  0.10000E+01 volume  0.27556E-02 ppm1      0.620 ppm2      8.726 CV     1}
 ASSI {  138}
   (  segid "A   " and resid 93   and name HG2%)
   (( segid "A   " and resid 93   and name HG12))
      2.400     0.700     0.700 {peak   138 spectrum    1 weight  0.10000E+01 volume  0.41410E-02 ppm1      0.540 ppm2      1.087 CV     1}
 ASSI {  140}
   (  segid "A   " and resid 93   and name HG2%)
   (( segid "A   " and resid 69   and name HB  ))
      2.800     1.000     1.000 {peak   140 spectrum    1 weight  0.10000E+01 volume  0.19966E-02 ppm1      0.536 ppm2      1.733 CV     1}
 ASSI {  141}
   (  segid "A   " and resid 93   and name HG2%)
   (( segid "A   " and resid 71   and name HG12))
      3.300     1.400     1.400 {peak   141 spectrum    1 weight  0.10000E+01 volume  0.68762E-03 ppm1      0.535 ppm2      1.372 CV     1}
 ASSI {  144}
   (  segid "A   " and resid 93   and name HG2%)
   (( segid "A   " and resid 93   and name HN  ))
      3.700     1.700     1.700 {peak   144 spectrum    1 weight  0.10000E+01 volume  0.34330E-03 ppm1      0.536 ppm2      8.402 CV     1}
 ASSI {  145}
   (  segid "A   " and resid 93   and name HG2%)
   (( segid "A   " and resid 70   and name HN  ))
      3.500     1.500     1.500 {peak   145 spectrum    1 weight  0.10000E+01 volume  0.47013E-03 ppm1      0.538 ppm2      9.017 CV     1}
 ASSI {  146}
   (  segid "A   " and resid 69   and name HG1%)
   (( segid "A   " and resid 69   and name HB  ))
      2.700     0.900     0.900 {peak   146 spectrum    1 weight  0.10000E+01 volume  0.22717E-02 ppm1      0.496 ppm2      1.752 CV     1}
 ASSI {  147}
   (  segid "A   " and resid 69   and name HG1%)
   (( segid "A   " and resid 71   and name HG12))
      3.500     1.500     1.500 {peak   147 spectrum    1 weight  0.10000E+01 volume  0.47216E-03 ppm1      0.498 ppm2      1.495 CV     1}
 ASSI {  148}
   (  segid "A   " and resid 69   and name HG1%)
   (( segid "A   " and resid 63   and name HG12))
      2.500     2.500     3.500 {peak   148 spectrum    1 weight  0.10000E+01 volume  0.40901E-02 ppm1      0.496 ppm2      1.107 CV     1}
 ASSI {  149}
   (  segid "A   " and resid 69   and name HG1%)
   (( segid "A   " and resid 68   and name HA  ))
      4.000     2.000     2.000 {peak   149 spectrum    1 weight  0.10000E+01 volume  0.20578E-03 ppm1      0.499 ppm2      4.702 CV     1}
 ASSI {  150}
   (  segid "A   " and resid 19   and name HG2%)
   (( segid "A   " and resid 19   and name HA  ))
      3.000     1.100     1.100 {peak   150 spectrum    1 weight  0.10000E+01 volume  0.12937E-02 ppm1      0.504 ppm2      5.122 CV     1}
 ASSI {  151}
   (  segid "A   " and resid 69   and name HG1%)
   (( segid "A   " and resid 69   and name HN  ))
      2.500     2.500     3.500 {peak   151 spectrum    1 weight  0.10000E+01 volume  0.33005E-02 ppm1      0.498 ppm2      8.966 CV     1}
 ASSI {  152}
   (  segid "A   " and resid 19   and name HG2%)
   (( segid "A   " and resid 19   and name HB  ))
      2.900     1.000     1.000 {peak   152 spectrum    1 weight  0.10000E+01 volume  0.15281E-02 ppm1      0.503 ppm2      2.123 CV     1}
 ASSI {  153}
   (  segid "A   " and resid 19   and name HG2%)
   (( segid "A   " and resid 44   and name HB  ))
      3.500     1.600     1.600 {peak   153 spectrum    1 weight  0.10000E+01 volume  0.45943E-03 ppm1      0.503 ppm2      1.969 CV     1}
 ASSI {  155}
   (  segid "A   " and resid 39   and name HG2%)
   (  segid "A   " and resid 30   and name HG2%)
      2.700     0.900     0.900 {peak   155 spectrum    1 weight  0.10000E+01 volume  0.22361E-02 ppm1      0.031 ppm2      0.755 CV     1}
 ASSI {  158}
   (  segid "A   " and resid 39   and name HG2%)
   (( segid "A   " and resid 39   and name HG12))
      2.600     0.900     0.900 {peak   158 spectrum    1 weight  0.10000E+01 volume  0.27403E-02 ppm1      0.034 ppm2      0.465 CV     1}
 ASSI {  159}
   (  segid "A   " and resid 39   and name HG2%)
   (( segid "A   " and resid 37   and name HD2 ))
      4.600     2.600     1.400 {peak   159 spectrum    1 weight  0.10000E+01 volume  0.94226E-04 ppm1      0.032 ppm2      3.480 CV     1}
 ASSI {  161}
   (  segid "A   " and resid 39   and name HG2%)
   (( segid "A   " and resid 40   and name HA  ))
      3.600     3.600     2.400 {peak   161 spectrum    1 weight  0.10000E+01 volume  0.42735E-03 ppm1      0.031 ppm2      4.517 CV     1}
 ASSI {  164}
   (  segid "A   " and resid 39   and name HG2%)
   (( segid "A   " and resid 56   and name HZ3 ))
      3.700     1.700     1.700 {peak   164 spectrum    1 weight  0.10000E+01 volume  0.32853E-03 ppm1      0.031 ppm2      6.623 CV     1}
 ASSI {  165}
   (  segid "A   " and resid 39   and name HG2%)
   (( segid "A   " and resid 56   and name HE3 ))
      3.400     1.400     1.400 {peak   165 spectrum    1 weight  0.10000E+01 volume  0.59594E-03 ppm1      0.030 ppm2      7.486 CV     1}
 ASSI {  166}
   (  segid "A   " and resid 39   and name HG2%)
   (( segid "A   " and resid 40   and name HN  ))
      3.200     1.300     1.300 {peak   166 spectrum    1 weight  0.10000E+01 volume  0.78440E-03 ppm1      0.031 ppm2      8.686 CV     1}
 ASSI {  167}
   (  segid "A   " and resid 39   and name HG2%)
   (( segid "A   " and resid 39   and name HN  ))
      3.200     1.300     1.300 {peak   167 spectrum    1 weight  0.10000E+01 volume  0.83024E-03 ppm1      0.031 ppm2      8.786 CV     1}
 ASSI {  168}
   (  segid "A   " and resid 39   and name HG2%)
   (( segid "A   " and resid 28   and name HN  ))
      4.000     2.000     2.000 {peak   168 spectrum    1 weight  0.10000E+01 volume  0.22717E-03 ppm1      0.030 ppm2      9.245 CV     1}
 ASSI {  171}
   (  segid "A   " and resid 68   and name HG2%)
   (( segid "A   " and resid 68   and name HB  ))
      3.000     1.100     1.100 {peak   171 spectrum    1 weight  0.10000E+01 volume  0.13345E-02 ppm1     -0.075 ppm2      1.641 CV     1}
 ASSI {  172}
   (  segid "A   " and resid 68   and name HG2%)
   (( segid "A   " and resid 20   and name HB2 ))
      4.000     2.000     2.000 {peak   172 spectrum    1 weight  0.10000E+01 volume  0.22004E-03 ppm1     -0.076 ppm2      2.089 CV     1}
 ASSI {  173}
   (  segid "A   " and resid 68   and name HG2%)
   (( segid "A   " and resid 101  and name HB2 ))
      4.200     2.200     1.800 {peak   173 spectrum    1 weight  0.10000E+01 volume  0.17013E-03 ppm1     -0.075 ppm2      2.969 CV     1}
 OR {  173}
   (  segid "A   " and resid 68   and name HG2%)
   (( segid "A   " and resid 101  and name HB1 ))
 ASSI {  174}
   (  segid "A   " and resid 68   and name HG2%)
   (( segid "A   " and resid 95   and name HA  ))
      3.400     1.400     1.400 {peak   174 spectrum    1 weight  0.10000E+01 volume  0.61122E-03 ppm1     -0.074 ppm2      4.308 CV     1}
 ASSI {  176}
   (  segid "A   " and resid 68   and name HG2%)
   (( segid "A   " and resid 20   and name HA  ))
      4.100     2.100     1.900 {peak   176 spectrum    1 weight  0.10000E+01 volume  0.17572E-03 ppm1     -0.074 ppm2      5.113 CV     1}
 ASSI {  177}
   (  segid "A   " and resid 68   and name HG2%)
   (( segid "A   " and resid 67   and name HE22))
      3.700     1.700     1.700 {peak   177 spectrum    1 weight  0.10000E+01 volume  0.33260E-03 ppm1     -0.074 ppm2      7.401 CV     1}
 ASSI {  182}
   (  segid "A   " and resid 60   and name HB% )
   (( segid "A   " and resid 27   and name HA  ))
      3.300     1.400     1.400 {peak   182 spectrum    1 weight  0.10000E+01 volume  0.67743E-03 ppm1      1.198 ppm2      4.538 CV     1}
 ASSI {  183}
   (  segid "A   " and resid 60   and name HB% )
   (( segid "A   " and resid 56   and name HA  ))
      4.000     2.000     2.000 {peak   183 spectrum    1 weight  0.10000E+01 volume  0.23430E-03 ppm1      1.195 ppm2      5.040 CV     1}
 ASSI {  185}
   (  segid "A   " and resid 60   and name HB% )
   (( segid "A   " and resid 40   and name HN  ))
      2.900     1.000     1.000 {peak   185 spectrum    1 weight  0.10000E+01 volume  0.15484E-02 ppm1      1.197 ppm2      8.703 CV     1}
 ASSI {  186}
   (  segid "A   " and resid 60   and name HB% )
   (( segid "A   " and resid 61   and name HN  ))
      3.400     1.500     1.500 {peak   186 spectrum    1 weight  0.10000E+01 volume  0.55518E-03 ppm1      1.197 ppm2      9.126 CV     1}
 ASSI {  187}
   (  segid "A   " and resid 60   and name HB% )
   (( segid "A   " and resid 28   and name HN  ))
      3.200     1.300     1.300 {peak   187 spectrum    1 weight  0.10000E+01 volume  0.85061E-03 ppm1      1.196 ppm2      9.238 CV     1}
 ASSI {  188}
   (  segid "A   " and resid 60   and name HB% )
   (( segid "A   " and resid 39   and name HA  ))
      3.200     1.300     1.300 {peak   188 spectrum    1 weight  0.10000E+01 volume  0.82514E-03 ppm1      1.197 ppm2      5.423 CV     1}
 ASSI {  189}
   (( segid "A   " and resid 20   and name HA  ))
   (( segid "A   " and resid 68   and name HA  ))
      3.000     1.100     1.100 {peak   189 spectrum    1 weight  0.10000E+01 volume  0.12479E-02 ppm1      5.110 ppm2      4.695 CV     1}
 ASSI {  190}
   (( segid "A   " and resid 20   and name HA  ))
   (( segid "A   " and resid 21   and name HN  ))
      2.400     0.700     0.700 {peak   190 spectrum    1 weight  0.10000E+01 volume  0.44212E-02 ppm1      5.109 ppm2      8.973 CV     1}
 ASSI {  191}
   (( segid "A   " and resid 86   and name HB1 ))
   (( segid "A   " and resid 56   and name HE1 ))
      3.600     1.600     1.600 {peak   191 spectrum    1 weight  0.10000E+01 volume  0.44415E-03 ppm1      0.905 ppm2     10.116 CV     1}
 ASSI {  192}
   (( segid "A   " and resid 1    and name HA  ))
   (( segid "A   " and resid 1    and name HG1 ))
      3.300     1.400     1.400 {peak   192 spectrum    1 weight  0.10000E+01 volume  0.67234E-03 ppm1      4.177 ppm2      2.660 CV     1}
 OR {  192}
   (( segid "A   " and resid 1    and name HA  ))
   (( segid "A   " and resid 1    and name HG2 ))
 ASSI {  193}
   (( segid "A   " and resid 1    and name HA  ))
   (( segid "A   " and resid 1    and name HB2 ))
      2.500     0.800     0.800 {peak   193 spectrum    1 weight  0.10000E+01 volume  0.36317E-02 ppm1      4.178 ppm2      2.246 CV     1}
 OR {  193}
   (( segid "A   " and resid 1    and name HA  ))
   (( segid "A   " and resid 1    and name HB1 ))
 ASSI {  195}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 16   and name HA  ))
      3.400     1.400     1.400 {peak   195 spectrum    1 weight  0.10000E+01 volume  0.59594E-03 ppm1      4.828 ppm2      6.008 CV     1}
 ASSI {  196}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 16   and name HB2 ))
      2.500     0.800     0.800 {peak   196 spectrum    1 weight  0.10000E+01 volume  0.32853E-02 ppm1      4.828 ppm2      2.884 CV     1}
 ASSI {  198}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 3    and name HN  ))
      1.900     0.400     0.400 {peak   198 spectrum    1 weight  0.10000E+01 volume  0.21087E-01 ppm1      4.827 ppm2      8.512 CV     1}
 ASSI {  199}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 2    and name HG1 ))
      4.200     2.200     1.800 {peak   199 spectrum    1 weight  0.10000E+01 volume  0.16401E-03 ppm1      4.828 ppm2      2.226 CV     1}
 OR {  199}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 2    and name HG2 ))
 ASSI {  200}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 2    and name HB2 ))
      3.000     1.100     1.100 {peak   200 spectrum    1 weight  0.10000E+01 volume  0.12937E-02 ppm1      4.822 ppm2      2.070 CV     1}
 ASSI {  202}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 3    and name HB2 ))
      1.800     1.800     4.200 {peak   202 spectrum    1 weight  0.10000E+01 volume  0.22666E-01 ppm1      4.805 ppm2      1.915 CV     1}
 ASSI {  203}
   (( segid "A   " and resid 82   and name HA  ))
   (( segid "A   " and resid 82   and name HB1 ))
      1.900     0.500     0.500 {peak   203 spectrum    1 weight  0.10000E+01 volume  0.17521E-01 ppm1      4.806 ppm2      2.193 CV     1}
 ASSI {  204}
   (( segid "A   " and resid 4    and name HD2 ))
   (( segid "A   " and resid 4    and name HE2 ))
      2.000     0.500     0.500 {peak   204 spectrum    1 weight  0.10000E+01 volume  0.16095E-01 ppm1      1.593 ppm2      2.885 CV     1}
 OR {  204}
   (( segid "A   " and resid 4    and name HD1 ))
   (( segid "A   " and resid 4    and name HE1 ))
 OR {  204}
   (( segid "A   " and resid 4    and name HD2 ))
   (( segid "A   " and resid 4    and name HE1 ))
 OR {  204}
   (( segid "A   " and resid 4    and name HD1 ))
   (( segid "A   " and resid 4    and name HE2 ))
 ASSI {  205}
   (( segid "A   " and resid 5    and name HA  ))
   (  segid "A   " and resid 5    and name HG1%)
      2.300     0.700     0.700 {peak   205 spectrum    1 weight  0.10000E+01 volume  0.55009E-02 ppm1      3.133 ppm2      0.558 CV     1}
 ASSI {  206}
   (( segid "A   " and resid 5    and name HA  ))
   (  segid "A   " and resid 5    and name HG2%)
      2.400     0.700     0.700 {peak   206 spectrum    1 weight  0.10000E+01 volume  0.48184E-02 ppm1      3.134 ppm2      0.748 CV     1}
 ASSI {  207}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 8    and name HB1 ))
      2.800     1.000     1.000 {peak   207 spectrum    1 weight  0.10000E+01 volume  0.19100E-02 ppm1      3.130 ppm2      1.143 CV     1}
 ASSI {  208}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 5    and name HB  ))
      2.500     0.800     0.800 {peak   208 spectrum    1 weight  0.10000E+01 volume  0.37437E-02 ppm1      3.133 ppm2      1.849 CV     1}
 ASSI {  209}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 8    and name HG  ))
      2.200     2.200     3.800 {peak   209 spectrum    1 weight  0.10000E+01 volume  0.74874E-02 ppm1      3.133 ppm2      2.183 CV     1}
 ASSI {  210}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 8    and name HN  ))
      3.000     1.100     1.100 {peak   210 spectrum    1 weight  0.10000E+01 volume  0.12428E-02 ppm1      3.135 ppm2      7.424 CV     1}
 ASSI {  211}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 7    and name HN  ))
      3.200     1.300     1.300 {peak   211 spectrum    1 weight  0.10000E+01 volume  0.77421E-03 ppm1      3.137 ppm2      7.641 CV     1}
 ASSI {  212}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 5    and name HN  ))
      2.700     0.900     0.900 {peak   212 spectrum    1 weight  0.10000E+01 volume  0.22106E-02 ppm1      3.135 ppm2      9.787 CV     1}
 ASSI {  213}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 6    and name HN  ))
      3.900     1.900     1.900 {peak   213 spectrum    1 weight  0.10000E+01 volume  0.25824E-03 ppm1      3.131 ppm2      9.525 CV     1}
 ASSI {  215}
   (  segid "A   " and resid 5    and name HG1%)
   (( segid "A   " and resid 6    and name HA2 ))
      3.400     1.400     1.400 {peak   215 spectrum    1 weight  0.10000E+01 volume  0.59084E-03 ppm1      0.520 ppm2      3.594 CV     1}
 OR {  215}
   (  segid "A   " and resid 5    and name HG1%)
   (( segid "A   " and resid 6    and name HA1 ))
 ASSI {  216}
   (  segid "A   " and resid 5    and name HG1%)
   (( segid "A   " and resid 45   and name HA1 ))
      3.700     1.700     1.700 {peak   216 spectrum    1 weight  0.10000E+01 volume  0.35909E-03 ppm1      0.519 ppm2      4.186 CV     1}
 ASSI {  217}
   (  segid "A   " and resid 5    and name HG1%)
   (( segid "A   " and resid 4    and name HA  ))
      4.400     2.400     1.600 {peak   217 spectrum    1 weight  0.10000E+01 volume  0.12021E-03 ppm1      0.522 ppm2      4.618 CV     1}
 ASSI {  219}
   (  segid "A   " and resid 5    and name HG1%)
   (( segid "A   " and resid 49   and name HN  ))
      4.300     2.300     1.700 {peak   219 spectrum    1 weight  0.10000E+01 volume  0.14211E-03 ppm1      0.526 ppm2      7.710 CV     1}
 ASSI {  220}
   (  segid "A   " and resid 5    and name HG1%)
   (( segid "A   " and resid 50   and name HN  ))
      3.600     1.600     1.600 {peak   220 spectrum    1 weight  0.10000E+01 volume  0.39933E-03 ppm1      0.525 ppm2      8.481 CV     1}
 ASSI {  221}
   (  segid "A   " and resid 5    and name HG1%)
   (( segid "A   " and resid 51   and name HN  ))
      3.500     1.600     1.600 {peak   221 spectrum    1 weight  0.10000E+01 volume  0.46147E-03 ppm1      0.519 ppm2      9.160 CV     1}
 ASSI {  223}
   (  segid "A   " and resid 5    and name HG1%)
   (( segid "A   " and resid 5    and name HN  ))
      3.500     1.600     1.600 {peak   223 spectrum    1 weight  0.10000E+01 volume  0.44720E-03 ppm1      0.521 ppm2      9.791 CV     1}
 ASSI {  224}
   (  segid "A   " and resid 5    and name HG1%)
   (( segid "A   " and resid 19   and name HB  ))
      2.700     2.700     3.300 {peak   224 spectrum    1 weight  0.10000E+01 volume  0.21138E-02 ppm1      0.521 ppm2      2.142 CV     1}
 ASSI {  225}
   (  segid "A   " and resid 5    and name HG1%)
   (( segid "A   " and resid 5    and name HB  ))
      2.600     0.800     0.800 {peak   225 spectrum    1 weight  0.10000E+01 volume  0.31936E-02 ppm1      0.520 ppm2      1.884 CV     1}
 ASSI {  226}
   (  segid "A   " and resid 5    and name HG1%)
   (( segid "A   " and resid 4    and name HB2 ))
      3.000     3.000     3.000 {peak   226 spectrum    1 weight  0.10000E+01 volume  0.11918E-02 ppm1      0.518 ppm2      1.568 CV     1}
 ASSI {  227}
   (  segid "A   " and resid 5    and name HG1%)
   (  segid "A   " and resid 5    and name HG2%)
      2.800     1.000     1.000 {peak   227 spectrum    1 weight  0.10000E+01 volume  0.19100E-02 ppm1      0.520 ppm2      0.784 CV     1}
 ASSI {  228}
   (  segid "A   " and resid 5    and name HG1%)
   (( segid "A   " and resid 45   and name HA2 ))
      3.800     1.800     1.800 {peak   228 spectrum    1 weight  0.10000E+01 volume  0.31325E-03 ppm1      0.513 ppm2      5.071 CV     1}
 ASSI {  230}
   (  segid "A   " and resid 5    and name HG2%)
   (( segid "A   " and resid 45   and name HA1 ))
      2.700     2.700     3.300 {peak   230 spectrum    1 weight  0.10000E+01 volume  0.22768E-02 ppm1      0.777 ppm2      4.207 CV     1}
 ASSI {  231}
   (  segid "A   " and resid 5    and name HG2%)
   (( segid "A   " and resid 45   and name HA2 ))
      2.800     1.000     1.000 {peak   231 spectrum    1 weight  0.10000E+01 volume  0.17216E-02 ppm1      0.776 ppm2      5.053 CV     1}
 ASSI {  232}
   (  segid "A   " and resid 5    and name HG2%)
   (( segid "A   " and resid 4    and name HA  ))
      3.000     1.100     1.100 {peak   232 spectrum    1 weight  0.10000E+01 volume  0.12428E-02 ppm1      0.774 ppm2      4.655 CV     1}
 ASSI {  233}
   (  segid "A   " and resid 5    and name HG2%)
   (( segid "A   " and resid 49   and name HN  ))
      3.700     1.700     1.700 {peak   233 spectrum    1 weight  0.10000E+01 volume  0.36062E-03 ppm1      0.776 ppm2      7.760 CV     1}
 ASSI {  234}
   (  segid "A   " and resid 5    and name HG2%)
   (( segid "A   " and resid 46   and name HN  ))
      2.800     1.000     1.000 {peak   234 spectrum    1 weight  0.10000E+01 volume  0.16961E-02 ppm1      0.776 ppm2      9.176 CV     1}
 ASSI {  238}
   (  segid "A   " and resid 5    and name HG2%)
   (( segid "A   " and resid 5    and name HB  ))
      3.200     1.300     1.300 {peak   238 spectrum    1 weight  0.10000E+01 volume  0.83024E-03 ppm1      0.775 ppm2      1.858 CV     1}
 ASSI {  241}
   (( segid "A   " and resid 6    and name HA1 ))
   (  segid "A   " and resid 48   and name HG2%)
      3.100     1.200     1.200 {peak   241 spectrum    1 weight  0.10000E+01 volume  0.10696E-02 ppm1      3.589 ppm2      1.188 CV     1}
 OR {  241}
   (( segid "A   " and resid 6    and name HA2 ))
   (  segid "A   " and resid 48   and name HG2%)
 ASSI {  242}
   (( segid "A   " and resid 6    and name HA2 ))
   (( segid "A   " and resid 5    and name HB  ))
      4.700     2.700     1.300 {peak   242 spectrum    1 weight  0.10000E+01 volume  0.84042E-04 ppm1      3.579 ppm2      1.896 CV     1}
 OR {  242}
   (( segid "A   " and resid 6    and name HA1 ))
   (( segid "A   " and resid 5    and name HB  ))
 ASSI {  244}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
      2.700     0.900     0.900 {peak   244 spectrum    1 weight  0.10000E+01 volume  0.23684E-02 ppm1      4.943 ppm2      2.779 CV     1}
 ASSI {  246}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 6    and name HA2 ))
      3.100     1.200     1.200 {peak   246 spectrum    1 weight  0.10000E+01 volume  0.96267E-03 ppm1      4.947 ppm2      3.605 CV     1}
 OR {  246}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 6    and name HA1 ))
 ASSI {  247}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 8    and name HN  ))
      2.900     1.100     1.100 {peak   247 spectrum    1 weight  0.10000E+01 volume  0.13599E-02 ppm1      4.945 ppm2      7.412 CV     1}
 ASSI {  248}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 7    and name HN  ))
      2.500     0.800     0.800 {peak   248 spectrum    1 weight  0.10000E+01 volume  0.36571E-02 ppm1      4.945 ppm2      7.651 CV     1}
 ASSI {  251}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "A   " and resid 7    and name HA  ))
      2.300     0.700     0.700 {peak   251 spectrum    1 weight  0.10000E+01 volume  0.53482E-02 ppm1      3.081 ppm2      4.948 CV     1}
 ASSI {  252}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "A   " and resid 7    and name HB2 ))
      2.500     0.800     0.800 {peak   252 spectrum    1 weight  0.10000E+01 volume  0.37997E-02 ppm1      3.081 ppm2      2.776 CV     1}
 ASSI {  253}
   (( segid "A   " and resid 8    and name HA  ))
   (  segid "A   " and resid 8    and name HD1%)
      2.200     2.200     3.800 {peak   253 spectrum    1 weight  0.10000E+01 volume  0.85571E-02 ppm1      3.991 ppm2      0.679 CV     1}
 ASSI {  254}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 8    and name HB1 ))
      2.600     0.900     0.900 {peak   254 spectrum    1 weight  0.10000E+01 volume  0.28014E-02 ppm1      3.990 ppm2      1.176 CV     1}
 ASSI {  255}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 9    and name HG2 ))
      3.000     1.100     1.100 {peak   255 spectrum    1 weight  0.10000E+01 volume  0.13345E-02 ppm1      3.990 ppm2      1.593 CV     1}
 OR {  255}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 9    and name HG1 ))
 ASSI {  256}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 8    and name HB2 ))
      2.800     1.000     1.000 {peak   256 spectrum    1 weight  0.10000E+01 volume  0.19559E-02 ppm1      3.991 ppm2      1.809 CV     1}
 ASSI {  257}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 8    and name HG  ))
      2.500     2.500     3.500 {peak   257 spectrum    1 weight  0.10000E+01 volume  0.36876E-02 ppm1      3.991 ppm2      2.173 CV     1}
 ASSI {  258}
   (  segid "A   " and resid 8    and name HD1%)
   (( segid "A   " and resid 84   and name HN  ))
      2.500     2.500     3.500 {peak   258 spectrum    1 weight  0.10000E+01 volume  0.34431E-02 ppm1      0.695 ppm2      8.651 CV     1}
 ASSI {  259}
   (  segid "A   " and resid 8    and name HD1%)
   (( segid "A   " and resid 9    and name HA  ))
      2.200     0.600     0.600 {peak   259 spectrum    1 weight  0.10000E+01 volume  0.71818E-02 ppm1      0.695 ppm2      4.781 CV     1}
 ASSI {  260}
   (  segid "A   " and resid 8    and name HD1%)
   (( segid "A   " and resid 10   and name HD2 ))
      2.700     0.900     0.900 {peak   260 spectrum    1 weight  0.10000E+01 volume  0.20832E-02 ppm1      0.693 ppm2      3.609 CV     1}
 ASSI {  261}
   (  segid "A   " and resid 8    and name HD1%)
   (( segid "A   " and resid 8    and name HB2 ))
      2.000     0.500     0.500 {peak   261 spectrum    1 weight  0.10000E+01 volume  0.12377E-01 ppm1      0.696 ppm2      1.762 CV     1}
 ASSI {  262}
   (  segid "A   " and resid 8    and name HD1%)
   (( segid "A   " and resid 8    and name HB1 ))
      2.700     0.900     0.900 {peak   262 spectrum    1 weight  0.10000E+01 volume  0.22819E-02 ppm1      0.694 ppm2      1.148 CV     1}
 ASSI {  263}
   (  segid "A   " and resid 8    and name HD2%)
   (( segid "A   " and resid 8    and name HB2 ))
      3.000     1.100     1.100 {peak   263 spectrum    1 weight  0.10000E+01 volume  0.13091E-02 ppm1      0.742 ppm2      1.805 CV     1}
 ASSI {  264}
   (  segid "A   " and resid 8    and name HD2%)
   (( segid "A   " and resid 8    and name HG  ))
      2.800     1.000     1.000 {peak   264 spectrum    1 weight  0.10000E+01 volume  0.17013E-02 ppm1      0.742 ppm2      2.170 CV     1}
 ASSI {  265}
   (  segid "A   " and resid 8    and name HD2%)
   (( segid "A   " and resid 85   and name HB1 ))
      2.500     2.500     3.500 {peak   265 spectrum    1 weight  0.10000E+01 volume  0.38965E-02 ppm1      0.740 ppm2      1.522 CV     1}
 ASSI {  266}
   (  segid "A   " and resid 8    and name HD2%)
   (( segid "A   " and resid 8    and name HB1 ))
      3.000     1.100     1.100 {peak   266 spectrum    1 weight  0.10000E+01 volume  0.12224E-02 ppm1      0.741 ppm2      1.158 CV     1}
 ASSI {  267}
   (  segid "A   " and resid 8    and name HD2%)
   (( segid "A   " and resid 5    and name HA  ))
      2.800     1.000     1.000 {peak   267 spectrum    1 weight  0.10000E+01 volume  0.20068E-02 ppm1      0.741 ppm2      3.132 CV     1}
 ASSI {  268}
   (  segid "A   " and resid 8    and name HD2%)
   (( segid "A   " and resid 8    and name HA  ))
      4.000     2.000     2.000 {peak   268 spectrum    1 weight  0.10000E+01 volume  0.21698E-03 ppm1      0.740 ppm2      4.016 CV     1}
 ASSI {  269}
   (  segid "A   " and resid 8    and name HD2%)
   (( segid "A   " and resid 8    and name HN  ))
      3.600     1.600     1.600 {peak   269 spectrum    1 weight  0.10000E+01 volume  0.43193E-03 ppm1      0.742 ppm2      7.429 CV     1}
 ASSI {  270}
   (  segid "A   " and resid 8    and name HD2%)
   (( segid "A   " and resid 7    and name HN  ))
      3.700     1.700     1.700 {peak   270 spectrum    1 weight  0.10000E+01 volume  0.36979E-03 ppm1      0.747 ppm2      7.655 CV     1}
 ASSI {  273}
   (( segid "A   " and resid 8    and name HG  ))
   (  segid "A   " and resid 8    and name HD1%)
      2.300     0.600     0.600 {peak   273 spectrum    1 weight  0.10000E+01 volume  0.67234E-02 ppm1      2.187 ppm2      0.701 CV     1}
 ASSI {  274}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 8    and name HN  ))
      2.900     2.900     3.100 {peak   274 spectrum    1 weight  0.10000E+01 volume  0.15536E-02 ppm1      4.807 ppm2      7.402 CV     1}
 ASSI {  276}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 8    and name HA  ))
      3.400     1.400     1.400 {peak   276 spectrum    1 weight  0.10000E+01 volume  0.57556E-03 ppm1      4.798 ppm2      3.992 CV     1}
 ASSI {  277}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 10   and name HD2 ))
      1.900     0.500     0.500 {peak   277 spectrum    1 weight  0.10000E+01 volume  0.17980E-01 ppm1      4.794 ppm2      3.634 CV     1}
 ASSI {  278}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 9    and name HB1 ))
      1.700     0.400     0.500 {peak   278 spectrum    1 weight  0.10000E+01 volume  0.35247E-01 ppm1      4.801 ppm2      1.592 CV     1}
 ASSI {  279}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 8    and name HB1 ))
      3.700     3.700     2.300 {peak   279 spectrum    1 weight  0.10000E+01 volume  0.34177E-03 ppm1      4.804 ppm2      1.150 CV     1}
 ASSI {  280}
   (( segid "A   " and resid 9    and name HA  ))
   (  segid "A   " and resid 83   and name HG2%)
      2.100     2.100     3.900 {peak   280 spectrum    1 weight  0.10000E+01 volume  0.90664E-02 ppm1      4.800 ppm2      0.684 CV     1}
 OR {  280}
   (( segid "A   " and resid 9    and name HA  ))
   (  segid "A   " and resid 83   and name HG1%)
 ASSI {  282}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 9    and name HA  ))
      3.000     3.000     3.000 {peak   282 spectrum    1 weight  0.10000E+01 volume  0.11308E-02 ppm1      4.022 ppm2      4.805 CV     1}
 ASSI {  283}
   (( segid "A   " and resid 21   and name HA  ))
   (( segid "A   " and resid 21   and name HB  ))
      3.500     1.500     1.500 {peak   283 spectrum    1 weight  0.10000E+01 volume  0.49815E-03 ppm1      4.023 ppm2      2.383 CV     1}
 ASSI {  284}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 83   and name HB  ))
      3.600     1.600     1.600 {peak   284 spectrum    1 weight  0.10000E+01 volume  0.40035E-03 ppm1      4.025 ppm2      1.727 CV     1}
 ASSI {  287}
   (( segid "A   " and resid 10   and name HD2 ))
   (( segid "A   " and resid 9    and name HB1 ))
      3.300     1.400     1.400 {peak   287 spectrum    1 weight  0.10000E+01 volume  0.69271E-03 ppm1      3.599 ppm2      1.594 CV     1}
 ASSI {  288}
   (( segid "A   " and resid 10   and name HD2 ))
   (( segid "A   " and resid 9    and name HB2 ))
      2.600     2.600     3.400 {peak   288 spectrum    1 weight  0.10000E+01 volume  0.29135E-02 ppm1      3.604 ppm2      2.036 CV     1}
 ASSI {  289}
   (( segid "A   " and resid 10   and name HD2 ))
   (  segid "A   " and resid 83   and name HG2%)
      2.800     0.900     0.900 {peak   289 spectrum    1 weight  0.10000E+01 volume  0.20629E-02 ppm1      3.602 ppm2      0.694 CV     1}
 OR {  289}
   (( segid "A   " and resid 10   and name HD2 ))
   (  segid "A   " and resid 83   and name HG1%)
 ASSI {  290}
   (( segid "A   " and resid 11   and name HB2 ))
   (( segid "A   " and resid 11   and name HA  ))
      2.400     0.700     0.700 {peak   290 spectrum    1 weight  0.10000E+01 volume  0.43345E-02 ppm1      3.044 ppm2      4.533 CV     1}
 ASSI {  291}
   (( segid "A   " and resid 11   and name HB2 ))
   (( segid "A   " and resid 10   and name HA  ))
      2.900     2.900     3.100 {peak   291 spectrum    1 weight  0.10000E+01 volume  0.14211E-02 ppm1      3.046 ppm2      3.969 CV     1}
 ASSI {  292}
   (( segid "A   " and resid 11   and name HB2 ))
   (( segid "A   " and resid 10   and name HG1 ))
      2.300     2.300     3.700 {peak   292 spectrum    1 weight  0.10000E+01 volume  0.56537E-02 ppm1      3.046 ppm2      2.136 CV     1}
 ASSI {  294}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 12   and name HA  ))
      3.800     1.800     1.800 {peak   294 spectrum    1 weight  0.10000E+01 volume  0.30205E-03 ppm1      2.599 ppm2      4.544 CV     1}
 OR {  294}
   (( segid "A   " and resid 12   and name HG1 ))
   (( segid "A   " and resid 12   and name HA  ))
 ASSI {  295}
   (( segid "A   " and resid 12   and name HG1 ))
   (( segid "A   " and resid 9    and name HB1 ))
      3.600     1.600     1.600 {peak   295 spectrum    1 weight  0.10000E+01 volume  0.42327E-03 ppm1      2.601 ppm2      1.628 CV     1}
 OR {  295}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 9    and name HB1 ))
 ASSI {  297}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 12   and name HB1 ))
      2.300     0.600     0.600 {peak   297 spectrum    1 weight  0.10000E+01 volume  0.68762E-02 ppm1      2.595 ppm2      2.068 CV     1}
 OR {  297}
   (( segid "A   " and resid 12   and name HG1 ))
   (( segid "A   " and resid 12   and name HB1 ))
 ASSI {  298}
   (( segid "A   " and resid 12   and name HG1 ))
   (( segid "A   " and resid 12   and name HB2 ))
      3.000     1.100     1.100 {peak   298 spectrum    1 weight  0.10000E+01 volume  0.12530E-02 ppm1      2.596 ppm2      2.326 CV     1}
 OR {  298}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 12   and name HB2 ))
 ASSI {  300}
   (( segid "A   " and resid 69   and name HA  ))
   (( segid "A   " and resid 95   and name HA  ))
      2.600     0.900     0.900 {peak   300 spectrum    1 weight  0.10000E+01 volume  0.26944E-02 ppm1      4.969 ppm2      4.383 CV     1}
 ASSI {  301}
   (( segid "A   " and resid 14   and name HA  ))
   (( segid "A   " and resid 14   and name HB2 ))
      2.400     0.700     0.700 {peak   301 spectrum    1 weight  0.10000E+01 volume  0.42684E-02 ppm1      4.963 ppm2      3.860 CV     1}
 OR {  301}
   (( segid "A   " and resid 14   and name HA  ))
   (( segid "A   " and resid 14   and name HB1 ))
 ASSI {  303}
   (( segid "A   " and resid 69   and name HA  ))
   (( segid "A   " and resid 69   and name HB  ))
      2.300     0.600     0.600 {peak   303 spectrum    1 weight  0.10000E+01 volume  0.65197E-02 ppm1      4.972 ppm2      1.751 CV     1}
 ASSI {  304}
   (( segid "A   " and resid 69   and name HA  ))
   (  segid "A   " and resid 69   and name HG2%)
      2.300     0.700     0.700 {peak   304 spectrum    1 weight  0.10000E+01 volume  0.61122E-02 ppm1      4.973 ppm2      0.577 CV     1}
 ASSI {  305}
   (( segid "A   " and resid 69   and name HA  ))
   (  segid "A   " and resid 96   and name HB% )
      3.400     1.400     1.400 {peak   305 spectrum    1 weight  0.10000E+01 volume  0.62649E-03 ppm1      4.974 ppm2      1.141 CV     1}
 ASSI {  306}
   (( segid "A   " and resid 14   and name HA  ))
   (( segid "A   " and resid 15   and name HN  ))
      1.900     0.500     0.500 {peak   306 spectrum    1 weight  0.10000E+01 volume  0.19100E-01 ppm1      4.970 ppm2      9.025 CV     1}
 ASSI {  307}
   (( segid "A   " and resid 15   and name HB  ))
   (  segid "A   " and resid 15   and name HG2%)
      2.100     0.600     0.600 {peak   307 spectrum    1 weight  0.10000E+01 volume  0.98816E-02 ppm1      1.769 ppm2      0.727 CV     1}
 ASSI {  308}
   (( segid "A   " and resid 69   and name HB  ))
   (  segid "A   " and resid 69   and name HG2%)
      2.100     0.500     0.500 {peak   308 spectrum    1 weight  0.10000E+01 volume  0.11918E-01 ppm1      1.771 ppm2      0.548 CV     1}
 ASSI {  309}
   (( segid "A   " and resid 15   and name HB  ))
   (( segid "A   " and resid 15   and name HA  ))
      2.400     0.700     0.700 {peak   309 spectrum    1 weight  0.10000E+01 volume  0.45536E-02 ppm1      1.772 ppm2      4.434 CV     1}
 ASSI {  312}
   (  segid "A   " and resid 15   and name HG1%)
   (( segid "A   " and resid 15   and name HB  ))
      2.700     0.900     0.900 {peak   312 spectrum    1 weight  0.10000E+01 volume  0.20781E-02 ppm1      0.861 ppm2      1.770 CV     1}
 ASSI {  314}
   (  segid "A   " and resid 15   and name HG1%)
   (( segid "A   " and resid 15   and name HA  ))
      3.800     1.800     1.800 {peak   314 spectrum    1 weight  0.10000E+01 volume  0.27810E-03 ppm1      0.862 ppm2      4.444 CV     1}
 ASSI {  315}
   (  segid "A   " and resid 15   and name HG1%)
   (( segid "A   " and resid 16   and name HN  ))
      2.800     1.000     1.000 {peak   315 spectrum    1 weight  0.10000E+01 volume  0.19712E-02 ppm1      0.863 ppm2      8.262 CV     1}
 ASSI {  316}
   (  segid "A   " and resid 15   and name HG1%)
   (( segid "A   " and resid 15   and name HN  ))
      3.200     1.300     1.300 {peak   316 spectrum    1 weight  0.10000E+01 volume  0.76402E-03 ppm1      0.861 ppm2      9.011 CV     1}
 ASSI {  317}
   (  segid "A   " and resid 15   and name HG1%)
   (( segid "A   " and resid 14   and name HA  ))
      4.300     2.400     1.700 {peak   317 spectrum    1 weight  0.10000E+01 volume  0.13396E-03 ppm1      0.852 ppm2      4.921 CV     1}
 ASSI {  318}
   (  segid "A   " and resid 83   and name HG1%)
   (( segid "A   " and resid 83   and name HB  ))
      1.800     0.400     0.400 {peak   318 spectrum    1 weight  0.10000E+01 volume  0.27606E-01 ppm1      0.719 ppm2      1.767 CV     1}
 OR {  318}
   (  segid "A   " and resid 83   and name HG2%)
   (( segid "A   " and resid 83   and name HB  ))
 ASSI {  319}
   (  segid "A   " and resid 44   and name HG2%)
   (( segid "A   " and resid 21   and name HA  ))
      2.900     1.100     1.100 {peak   319 spectrum    1 weight  0.10000E+01 volume  0.14109E-02 ppm1      0.727 ppm2      4.000 CV     1}
 ASSI {  320}
   (  segid "A   " and resid 15   and name HG2%)
   (( segid "A   " and resid 15   and name HA  ))
      2.200     0.600     0.600 {peak   320 spectrum    1 weight  0.10000E+01 volume  0.81495E-02 ppm1      0.726 ppm2      4.438 CV     1}
 ASSI {  321}
   (  segid "A   " and resid 15   and name HG2%)
   (( segid "A   " and resid 16   and name HN  ))
      3.600     1.600     1.600 {peak   321 spectrum    1 weight  0.10000E+01 volume  0.44212E-03 ppm1      0.729 ppm2      8.296 CV     1}
 ASSI {  322}
   (( segid "A   " and resid 16   and name HA  ))
   (  segid "A   " and resid 17   and name HG1%)
      2.500     0.800     0.800 {peak   322 spectrum    1 weight  0.10000E+01 volume  0.40798E-02 ppm1      5.981 ppm2      0.655 CV     1}
 ASSI {  323}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 71   and name HB  ))
      3.500     1.500     1.500 {peak   323 spectrum    1 weight  0.10000E+01 volume  0.47828E-03 ppm1      5.982 ppm2      1.816 CV     1}
 ASSI {  324}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 72   and name HG1 ))
      2.900     2.900     3.100 {peak   324 spectrum    1 weight  0.10000E+01 volume  0.13650E-02 ppm1      5.980 ppm2      2.042 CV     1}
 ASSI {  325}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 16   and name HB1 ))
      2.100     0.600     0.600 {peak   325 spectrum    1 weight  0.10000E+01 volume  0.93718E-02 ppm1      5.977 ppm2      2.982 CV     1}
 ASSI {  326}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 15   and name HA  ))
      3.700     1.700     1.700 {peak   326 spectrum    1 weight  0.10000E+01 volume  0.32751E-03 ppm1      5.977 ppm2      4.420 CV     1}
 ASSI {  328}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 16   and name HN  ))
      2.800     1.000     1.000 {peak   328 spectrum    1 weight  0.10000E+01 volume  0.17878E-02 ppm1      5.981 ppm2      8.282 CV     1}
 ASSI {  329}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 17   and name HN  ))
      2.000     0.500     0.500 {peak   329 spectrum    1 weight  0.10000E+01 volume  0.13192E-01 ppm1      5.977 ppm2      8.724 CV     1}
 ASSI {  330}
   (( segid "A   " and resid 63   and name HA  ))
   (( segid "A   " and resid 63   and name HB  ))
      2.200     0.600     0.600 {peak   330 spectrum    1 weight  0.10000E+01 volume  0.76911E-02 ppm1      4.947 ppm2      1.764 CV     1}
 ASSI {  331}
   (( segid "A   " and resid 63   and name HA  ))
   (( segid "A   " and resid 64   and name HG2 ))
      3.300     1.300     1.300 {peak   331 spectrum    1 weight  0.10000E+01 volume  0.72328E-03 ppm1      4.943 ppm2      1.301 CV     1}
 OR {  331}
   (( segid "A   " and resid 63   and name HA  ))
   (( segid "A   " and resid 64   and name HG1 ))
 ASSI {  334}
   (( segid "A   " and resid 63   and name HA  ))
   (  segid "A   " and resid 63   and name HG2%)
      1.800     0.400     0.400 {peak   334 spectrum    1 weight  0.10000E+01 volume  0.24805E-01 ppm1      4.947 ppm2      0.724 CV     1}
 ASSI {  335}
   (  segid "A   " and resid 17   and name HG1%)
   (( segid "A   " and resid 17   and name HN  ))
      2.500     0.800     0.800 {peak   335 spectrum    1 weight  0.10000E+01 volume  0.35400E-02 ppm1      0.641 ppm2      8.722 CV     1}
 ASSI {  336}
   (  segid "A   " and resid 17   and name HG1%)
   (( segid "A   " and resid 18   and name HN  ))
      2.600     2.600     3.400 {peak   336 spectrum    1 weight  0.10000E+01 volume  0.30459E-02 ppm1      0.637 ppm2      8.372 CV     1}
 ASSI {  337}
   (  segid "A   " and resid 17   and name HG1%)
   (( segid "A   " and resid 17   and name HA  ))
      2.300     2.300     3.700 {peak   337 spectrum    1 weight  0.10000E+01 volume  0.65197E-02 ppm1      0.641 ppm2      5.007 CV     1}
 ASSI {  338}
   (  segid "A   " and resid 17   and name HG1%)
   (( segid "A   " and resid 17   and name HB  ))
      3.300     1.400     1.400 {peak   338 spectrum    1 weight  0.10000E+01 volume  0.68762E-03 ppm1      0.641 ppm2      2.150 CV     1}
 ASSI {  340}
   (  segid "A   " and resid 17   and name HG2%)
   (( segid "A   " and resid 17   and name HB  ))
      2.500     0.800     0.800 {peak   340 spectrum    1 weight  0.10000E+01 volume  0.37336E-02 ppm1      0.765 ppm2      2.153 CV     1}
 ASSI {  341}
   (  segid "A   " and resid 17   and name HG2%)
   (( segid "A   " and resid 17   and name HA  ))
      2.300     0.700     0.700 {peak   341 spectrum    1 weight  0.10000E+01 volume  0.61631E-02 ppm1      0.766 ppm2      4.964 CV     1}
 ASSI {  342}
   (  segid "A   " and resid 17   and name HG2%)
   (( segid "A   " and resid 17   and name HN  ))
      2.700     2.700     3.300 {peak   342 spectrum    1 weight  0.10000E+01 volume  0.24143E-02 ppm1      0.764 ppm2      8.705 CV     1}
 ASSI {  344}
   (( segid "A   " and resid 18   and name HA  ))
   (( segid "A   " and resid 70   and name HB1 ))
      4.100     2.100     1.900 {peak   344 spectrum    1 weight  0.10000E+01 volume  0.19304E-03 ppm1      5.168 ppm2      1.728 CV     1}
 ASSI {  345}
   (( segid "A   " and resid 18   and name HA  ))
   (  segid "A   " and resid 18   and name HG2%)
      2.400     0.700     0.700 {peak   345 spectrum    1 weight  0.10000E+01 volume  0.42632E-02 ppm1      5.159 ppm2      0.792 CV     1}
 ASSI {  346}
   (( segid "A   " and resid 18   and name HA  ))
   (  segid "A   " and resid 19   and name HG2%)
      2.600     2.600     3.400 {peak   346 spectrum    1 weight  0.10000E+01 volume  0.26537E-02 ppm1      5.164 ppm2      0.549 CV     1}
 ASSI {  347}
   (( segid "A   " and resid 18   and name HA  ))
   (( segid "A   " and resid 70   and name HG2 ))
      4.100     2.100     1.900 {peak   347 spectrum    1 weight  0.10000E+01 volume  0.17929E-03 ppm1      5.166 ppm2      1.352 CV     1}
 OR {  347}
   (( segid "A   " and resid 18   and name HA  ))
   (( segid "A   " and resid 70   and name HG1 ))
 ASSI {  348}
   (( segid "A   " and resid 18   and name HA  ))
   (( segid "A   " and resid 70   and name HA  ))
      2.600     0.800     0.800 {peak   348 spectrum    1 weight  0.10000E+01 volume  0.31783E-02 ppm1      5.159 ppm2      4.863 CV     1}
 ASSI {  350}
   (( segid "A   " and resid 18   and name HA  ))
   (( segid "A   " and resid 19   and name HN  ))
      2.200     0.600     0.600 {peak   350 spectrum    1 weight  0.10000E+01 volume  0.71818E-02 ppm1      5.160 ppm2      8.640 CV     1}
 ASSI {  353}
   (( segid "A   " and resid 18   and name HB  ))
   (( segid "A   " and resid 18   and name HA  ))
      2.800     1.000     1.000 {peak   353 spectrum    1 weight  0.10000E+01 volume  0.20119E-02 ppm1      4.051 ppm2      5.150 CV     1}
 ASSI {  354}
   (( segid "A   " and resid 18   and name HB  ))
   (( segid "A   " and resid 17   and name HA  ))
      4.200     2.200     1.800 {peak   354 spectrum    1 weight  0.10000E+01 volume  0.16503E-03 ppm1      4.056 ppm2      4.955 CV     1}
 ASSI {  355}
   (( segid "A   " and resid 18   and name HB  ))
   (  segid "A   " and resid 101  and name HD% )
      3.100     3.100     2.900 {peak   355 spectrum    1 weight  0.10000E+01 volume  0.94743E-03 ppm1      4.051 ppm2      7.402 CV     1}
 ASSI {  356}
   (( segid "A   " and resid 18   and name HB  ))
   (( segid "A   " and resid 18   and name HN  ))
      2.700     0.900     0.900 {peak   356 spectrum    1 weight  0.10000E+01 volume  0.24296E-02 ppm1      4.050 ppm2      8.356 CV     1}
 ASSI {  358}
   (( segid "A   " and resid 18   and name HB  ))
   (  segid "A   " and resid 101  and name HE% )
      3.900     1.900     1.900 {peak   358 spectrum    1 weight  0.10000E+01 volume  0.27454E-03 ppm1      4.060 ppm2      7.640 CV     1}
 ASSI {  359}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 46   and name HB1 ))
      3.100     1.200     1.200 {peak   359 spectrum    1 weight  0.10000E+01 volume  0.10238E-02 ppm1      5.121 ppm2      3.334 CV     1}
 OR {  359}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 46   and name HB2 ))
 ASSI {  360}
   (( segid "A   " and resid 19   and name HA  ))
   (  segid "A   " and resid 101  and name HD% )
      2.600     0.900     0.900 {peak   360 spectrum    1 weight  0.10000E+01 volume  0.28218E-02 ppm1      5.119 ppm2      7.403 CV     1}
 ASSI {  361}
   (( segid "A   " and resid 19   and name HA  ))
   (  segid "A   " and resid 101  and name HE% )
      2.500     0.800     0.800 {peak   361 spectrum    1 weight  0.10000E+01 volume  0.33159E-02 ppm1      5.119 ppm2      7.621 CV     1}
 ASSI {  362}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 19   and name HN  ))
      3.900     1.900     1.900 {peak   362 spectrum    1 weight  0.10000E+01 volume  0.24805E-03 ppm1      5.119 ppm2      8.635 CV     1}
 ASSI {  365}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 19   and name HB  ))
      2.700     0.900     0.900 {peak   365 spectrum    1 weight  0.10000E+01 volume  0.22870E-02 ppm1      5.120 ppm2      2.127 CV     1}
 ASSI {  366}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 44   and name HB  ))
      4.400     2.500     1.600 {peak   366 spectrum    1 weight  0.10000E+01 volume  0.11614E-03 ppm1      5.117 ppm2      1.951 CV     1}
 ASSI {  367}
   (  segid "A   " and resid 19   and name HG1%)
   (( segid "A   " and resid 19   and name HB  ))
      2.700     0.900     0.900 {peak   367 spectrum    1 weight  0.10000E+01 volume  0.22615E-02 ppm1      0.613 ppm2      2.132 CV     1}
 ASSI {  368}
   (  segid "A   " and resid 19   and name HG1%)
   (( segid "A   " and resid 19   and name HA  ))
      3.000     1.100     1.100 {peak   368 spectrum    1 weight  0.10000E+01 volume  0.11817E-02 ppm1      0.612 ppm2      5.133 CV     1}
 ASSI {  369}
   (  segid "A   " and resid 19   and name HG1%)
   (  segid "A   " and resid 101  and name HE% )
      5.100     3.300     0.900 {peak   369 spectrum    1 weight  0.10000E+01 volume  0.48948E-04 ppm1      0.610 ppm2      7.601 CV     1}
 ASSI {  371}
   (  segid "A   " and resid 19   and name HG1%)
   (( segid "A   " and resid 45   and name HN  ))
      2.500     0.800     0.800 {peak   371 spectrum    1 weight  0.10000E+01 volume  0.35094E-02 ppm1      0.619 ppm2      8.897 CV     1}
 ASSI {  372}
   (  segid "A   " and resid 19   and name HG1%)
   (( segid "A   " and resid 20   and name HN  ))
      2.600     0.800     0.800 {peak   372 spectrum    1 weight  0.10000E+01 volume  0.30561E-02 ppm1      0.608 ppm2      9.267 CV     1}
 ASSI {  374}
   (( segid "A   " and resid 20   and name HA  ))
   (( segid "A   " and resid 20   and name HG1 ))
      2.700     0.900     0.900 {peak   374 spectrum    1 weight  0.10000E+01 volume  0.23481E-02 ppm1      5.115 ppm2      1.446 CV     1}
 ASSI {  375}
   (( segid "A   " and resid 20   and name HA  ))
   (( segid "A   " and resid 67   and name HE22))
      3.700     3.700     2.300 {peak   375 spectrum    1 weight  0.10000E+01 volume  0.37437E-03 ppm1      5.114 ppm2      7.401 CV     1}
 ASSI {  376}
   (( segid "A   " and resid 21   and name HB  ))
   (  segid "A   " and resid 21   and name HG1%)
      2.400     0.700     0.700 {peak   376 spectrum    1 weight  0.10000E+01 volume  0.47216E-02 ppm1      2.413 ppm2      0.592 CV     1}
 ASSI {  377}
   (( segid "A   " and resid 21   and name HB  ))
   (  segid "A   " and resid 21   and name HG2%)
      2.400     0.700     0.700 {peak   377 spectrum    1 weight  0.10000E+01 volume  0.52463E-02 ppm1      2.407 ppm2      0.798 CV     1}
 ASSI {  379}
   (( segid "A   " and resid 21   and name HB  ))
   (( segid "A   " and resid 20   and name HA  ))
      4.300     2.300     1.700 {peak   379 spectrum    1 weight  0.10000E+01 volume  0.14363E-03 ppm1      2.416 ppm2      5.084 CV     1}
 ASSI {  380}
   (( segid "A   " and resid 21   and name HB  ))
   (( segid "A   " and resid 67   and name HN  ))
      3.200     1.300     1.300 {peak   380 spectrum    1 weight  0.10000E+01 volume  0.88626E-03 ppm1      2.409 ppm2      7.470 CV     1}
 ASSI {  381}
   (( segid "A   " and resid 21   and name HB  ))
   (( segid "A   " and resid 21   and name HN  ))
      2.400     0.700     0.700 {peak   381 spectrum    1 weight  0.10000E+01 volume  0.43448E-02 ppm1      2.408 ppm2      8.960 CV     1}
 ASSI {  383}
   (  segid "A   " and resid 21   and name HG1%)
   (( segid "A   " and resid 63   and name HB  ))
      2.700     2.700     3.300 {peak   383 spectrum    1 weight  0.10000E+01 volume  0.25111E-02 ppm1      0.591 ppm2      1.745 CV     1}
 ASSI {  384}
   (  segid "A   " and resid 21   and name HG1%)
   (( segid "A   " and resid 65   and name HB2 ))
      2.600     2.600     3.400 {peak   384 spectrum    1 weight  0.10000E+01 volume  0.31528E-02 ppm1      0.590 ppm2      1.862 CV     1}
 ASSI {  387}
   (  segid "A   " and resid 21   and name HG1%)
   (( segid "A   " and resid 21   and name HA  ))
      3.100     1.200     1.200 {peak   387 spectrum    1 weight  0.10000E+01 volume  0.95251E-03 ppm1      0.592 ppm2      4.018 CV     1}
 ASSI {  390}
   (  segid "A   " and resid 21   and name HG1%)
   (( segid "A   " and resid 43   and name HN  ))
      2.400     2.400     3.600 {peak   390 spectrum    1 weight  0.10000E+01 volume  0.51953E-02 ppm1      0.587 ppm2      8.531 CV     1}
 ASSI {  391}
   (  segid "A   " and resid 21   and name HG1%)
   (( segid "A   " and resid 21   and name HN  ))
      2.100     2.100     3.900 {peak   391 spectrum    1 weight  0.10000E+01 volume  0.90664E-02 ppm1      0.592 ppm2      8.971 CV     1}
 ASSI {  392}
   (  segid "A   " and resid 51   and name HG1%)
   (( segid "A   " and resid 51   and name HN  ))
      2.400     0.700     0.700 {peak   392 spectrum    1 weight  0.10000E+01 volume  0.42836E-02 ppm1      0.602 ppm2      9.171 CV     1}
 ASSI {  393}
   (  segid "A   " and resid 18   and name HG2%)
   (  segid "A   " and resid 68   and name HG2%)
      2.700     0.900     0.900 {peak   393 spectrum    1 weight  0.10000E+01 volume  0.23175E-02 ppm1      0.798 ppm2     -0.050 CV     1}
 ASSI {  395}
   (  segid "A   " and resid 18   and name HG2%)
   (( segid "A   " and resid 18   and name HB  ))
      2.100     0.600     0.600 {peak   395 spectrum    1 weight  0.10000E+01 volume  0.92702E-02 ppm1      0.799 ppm2      4.041 CV     1}
 ASSI {  396}
   (  segid "A   " and resid 18   and name HG2%)
   (( segid "A   " and resid 17   and name HA  ))
      2.600     2.600     3.400 {peak   396 spectrum    1 weight  0.10000E+01 volume  0.30764E-02 ppm1      0.798 ppm2      4.919 CV     1}
 ASSI {  399}
   (  segid "A   " and resid 21   and name HG2%)
   (( segid "A   " and resid 21   and name HN  ))
      2.100     0.600     0.600 {peak   399 spectrum    1 weight  0.10000E+01 volume  0.94226E-02 ppm1      0.800 ppm2      8.983 CV     1}
 ASSI {  400}
   (  segid "A   " and resid 18   and name HG2%)
   (( segid "A   " and resid 19   and name HN  ))
      2.400     0.700     0.700 {peak   400 spectrum    1 weight  0.10000E+01 volume  0.46758E-02 ppm1      0.800 ppm2      8.634 CV     1}
 ASSI {  401}
   (  segid "A   " and resid 22   and name HD1%)
   (( segid "A   " and resid 22   and name HB1 ))
      2.000     0.500     0.500 {peak   401 spectrum    1 weight  0.10000E+01 volume  0.13753E-01 ppm1      0.793 ppm2      1.628 CV     1}
 ASSI {  402}
   (  segid "A   " and resid 22   and name HD1%)
   (( segid "A   " and resid 22   and name HB2 ))
      2.100     0.600     0.600 {peak   402 spectrum    1 weight  0.10000E+01 volume  0.10136E-01 ppm1      0.795 ppm2      1.504 CV     1}
 ASSI {  403}
   (  segid "A   " and resid 22   and name HD1%)
   (  segid "A   " and resid 107  and name HG2%)
      2.700     0.900     0.900 {peak   403 spectrum    1 weight  0.10000E+01 volume  0.24397E-02 ppm1      0.790 ppm2      1.145 CV     1}
 ASSI {  404}
   (  segid "A   " and resid 22   and name HD2%)
   (( segid "A   " and resid 22   and name HA  ))
      2.200     0.600     0.600 {peak   404 spectrum    1 weight  0.10000E+01 volume  0.82514E-02 ppm1      0.801 ppm2      4.399 CV     1}
 ASSI {  405}
   (  segid "A   " and resid 22   and name HD1%)
   (( segid "A   " and resid 46   and name HN  ))
      2.500     2.500     3.500 {peak   405 spectrum    1 weight  0.10000E+01 volume  0.36520E-02 ppm1      0.794 ppm2      9.208 CV     1}
 ASSI {  406}
   (  segid "A   " and resid 22   and name HD1%)
   (( segid "A   " and resid 45   and name HN  ))
      2.600     0.800     0.800 {peak   406 spectrum    1 weight  0.10000E+01 volume  0.30815E-02 ppm1      0.789 ppm2      8.888 CV     1}
 ASSI {  407}
   (  segid "A   " and resid 22   and name HD1%)
   (( segid "A   " and resid 23   and name HN  ))
      4.200     2.200     1.800 {peak   407 spectrum    1 weight  0.10000E+01 volume  0.16299E-03 ppm1      0.795 ppm2      7.571 CV     1}
 ASSI {  408}
   (  segid "A   " and resid 22   and name HD2%)
   (( segid "A   " and resid 22   and name HN  ))
      2.400     2.400     3.600 {peak   408 spectrum    1 weight  0.10000E+01 volume  0.46503E-02 ppm1      0.814 ppm2      9.223 CV     1}
 ASSI {  409}
   (  segid "A   " and resid 22   and name HD2%)
   (( segid "A   " and resid 104  and name HB2 ))
      2.200     0.600     0.600 {peak   409 spectrum    1 weight  0.10000E+01 volume  0.90154E-02 ppm1      0.802 ppm2      3.907 CV     1}
 OR {  409}
   (  segid "A   " and resid 22   and name HD2%)
   (( segid "A   " and resid 104  and name HB1 ))
 ASSI {  410}
   (  segid "A   " and resid 22   and name HD2%)
   (( segid "A   " and resid 22   and name HB1 ))
      2.000     0.500     0.500 {peak   410 spectrum    1 weight  0.10000E+01 volume  0.12937E-01 ppm1      0.800 ppm2      1.628 CV     1}
 ASSI {  412}
   (( segid "A   " and resid 24   and name HA  ))
   (( segid "A   " and resid 25   and name HN  ))
      1.800     0.400     0.400 {peak   412 spectrum    1 weight  0.10000E+01 volume  0.23990E-01 ppm1      4.900 ppm2      8.469 CV     1}
 ASSI {  413}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 15   and name HN  ))
      3.400     1.500     1.500 {peak   413 spectrum    1 weight  0.10000E+01 volume  0.53991E-03 ppm1      4.901 ppm2      9.059 CV     1}
 ASSI {  414}
   (( segid "A   " and resid 74   and name HA  ))
   (  segid "A   " and resid 74   and name HB% )
      1.600     0.300     0.600 {peak   414 spectrum    1 weight  0.10000E+01 volume  0.46606E-01 ppm1      4.897 ppm2      1.270 CV     1}
 ASSI {  415}
   (( segid "A   " and resid 74   and name HA  ))
   (  segid "A   " and resid 71   and name HG2%)
      3.000     3.000     3.000 {peak   415 spectrum    1 weight  0.10000E+01 volume  0.13345E-02 ppm1      4.885 ppm2      0.628 CV     1}
 ASSI {  417}
   (  segid "A   " and resid 24   and name HB% )
   (( segid "A   " and resid 65   and name HG2 ))
      2.900     1.100     1.100 {peak   417 spectrum    1 weight  0.10000E+01 volume  0.14007E-02 ppm1      1.239 ppm2      2.132 CV     1}
 ASSI {  418}
   (  segid "A   " and resid 24   and name HB% )
   (  segid "A   " and resid 21   and name HG1%)
      1.900     1.900     4.100 {peak   418 spectrum    1 weight  0.10000E+01 volume  0.16350E-01 ppm1      1.255 ppm2      0.613 CV     1}
 ASSI {  419}
   (  segid "A   " and resid 24   and name HB% )
   (( segid "A   " and resid 23   and name HA  ))
      2.300     2.300     3.700 {peak   419 spectrum    1 weight  0.10000E+01 volume  0.61122E-02 ppm1      1.245 ppm2      4.506 CV     1}
 ASSI {  420}
   (  segid "A   " and resid 24   and name HB% )
   (( segid "A   " and resid 24   and name HA  ))
      2.200     0.600     0.600 {peak   420 spectrum    1 weight  0.10000E+01 volume  0.83024E-02 ppm1      1.244 ppm2      4.891 CV     1}
 ASSI {  421}
   (  segid "A   " and resid 24   and name HB% )
   (( segid "A   " and resid 25   and name HN  ))
      2.400     0.700     0.700 {peak   421 spectrum    1 weight  0.10000E+01 volume  0.52463E-02 ppm1      1.241 ppm2      8.510 CV     1}
 ASSI {  422}
   (( segid "A   " and resid 25   and name HA  ))
   (( segid "A   " and resid 26   and name HN  ))
      2.000     0.500     0.500 {peak   422 spectrum    1 weight  0.10000E+01 volume  0.16249E-01 ppm1      4.798 ppm2      8.593 CV     1}
 ASSI {  423}
   (( segid "A   " and resid 25   and name HA  ))
   (( segid "A   " and resid 25   and name HB2 ))
      2.400     0.700     0.700 {peak   423 spectrum    1 weight  0.10000E+01 volume  0.49661E-02 ppm1      4.796 ppm2      4.273 CV     1}
 ASSI {  424}
   (( segid "A   " and resid 25   and name HA  ))
   (( segid "A   " and resid 25   and name HB1 ))
      2.400     0.700     0.700 {peak   424 spectrum    1 weight  0.10000E+01 volume  0.48388E-02 ppm1      4.796 ppm2      3.975 CV     1}
 ASSI {  425}
   (( segid "A   " and resid 25   and name HA  ))
   (( segid "A   " and resid 26   and name HG2 ))
      2.300     2.300     3.700 {peak   425 spectrum    1 weight  0.10000E+01 volume  0.53991E-02 ppm1      4.797 ppm2      2.390 CV     1}
 OR {  425}
   (( segid "A   " and resid 25   and name HA  ))
   (( segid "A   " and resid 26   and name HG1 ))
 ASSI {  426}
   (( segid "A   " and resid 25   and name HB2 ))
   (( segid "A   " and resid 25   and name HB1 ))
      2.300     0.700     0.700 {peak   426 spectrum    1 weight  0.10000E+01 volume  0.57556E-02 ppm1      4.259 ppm2      3.975 CV     1}
 ASSI {  428}
   (( segid "A   " and resid 25   and name HB2 ))
   (( segid "A   " and resid 25   and name HN  ))
      4.100     2.100     1.900 {peak   428 spectrum    1 weight  0.10000E+01 volume  0.17674E-03 ppm1      4.260 ppm2      8.446 CV     1}
 ASSI {  429}
   (  segid "A   " and resid 27   and name HB% )
   (( segid "A   " and resid 40   and name HB2 ))
      3.200     1.300     1.300 {peak   429 spectrum    1 weight  0.10000E+01 volume  0.88117E-03 ppm1      1.110 ppm2      3.342 CV     1}
 ASSI {  430}
   (  segid "A   " and resid 27   and name HB% )
   (( segid "A   " and resid 61   and name HA1 ))
      3.500     1.500     1.500 {peak   430 spectrum    1 weight  0.10000E+01 volume  0.49815E-03 ppm1      1.112 ppm2      4.067 CV     1}
 ASSI {  431}
   (  segid "A   " and resid 27   and name HB% )
   (( segid "A   " and resid 27   and name HA  ))
      2.300     0.700     0.700 {peak   431 spectrum    1 weight  0.10000E+01 volume  0.60103E-02 ppm1      1.110 ppm2      4.535 CV     1}
 ASSI {  432}
   (  segid "A   " and resid 27   and name HB% )
   (( segid "A   " and resid 28   and name HN  ))
      2.800     1.000     1.000 {peak   432 spectrum    1 weight  0.10000E+01 volume  0.18540E-02 ppm1      1.109 ppm2      9.232 CV     1}
 ASSI {  434}
   (  segid "A   " and resid 27   and name HB% )
   (( segid "A   " and resid 26   and name HB1 ))
      5.500     3.800     0.500 {peak   434 spectrum    1 weight  0.10000E+01 volume  0.32089E-04 ppm1      1.110 ppm2      2.167 CV     1}
 ASSI {  435}
   (( segid "A   " and resid 29   and name HA  ))
   (( segid "A   " and resid 30   and name HG11))
      2.700     2.700     3.300 {peak   435 spectrum    1 weight  0.10000E+01 volume  0.24194E-02 ppm1      5.279 ppm2      0.893 CV     1}
 ASSI {  436}
   (( segid "A   " and resid 29   and name HA  ))
   (  segid "A   " and resid 38   and name HG2%)
      3.200     1.300     1.300 {peak   436 spectrum    1 weight  0.10000E+01 volume  0.75893E-03 ppm1      5.280 ppm2      1.125 CV     1}
 ASSI {  437}
   (( segid "A   " and resid 29   and name HA  ))
   (( segid "A   " and resid 30   and name HG12))
      3.100     1.200     1.200 {peak   437 spectrum    1 weight  0.10000E+01 volume  0.95759E-03 ppm1      5.271 ppm2      1.369 CV     1}
 ASSI {  438}
   (( segid "A   " and resid 29   and name HA  ))
   (( segid "A   " and resid 29   and name HB1 ))
      2.300     0.700     0.700 {peak   438 spectrum    1 weight  0.10000E+01 volume  0.53482E-02 ppm1      5.278 ppm2      1.816 CV     1}
 ASSI {  439}
   (( segid "A   " and resid 29   and name HA  ))
   (( segid "A   " and resid 29   and name HB2 ))
      2.700     0.900     0.900 {peak   439 spectrum    1 weight  0.10000E+01 volume  0.22258E-02 ppm1      5.277 ppm2      1.956 CV     1}
 ASSI {  440}
   (( segid "A   " and resid 29   and name HA  ))
   (( segid "A   " and resid 29   and name HG1 ))
      2.400     0.700     0.700 {peak   440 spectrum    1 weight  0.10000E+01 volume  0.44720E-02 ppm1      5.278 ppm2      2.273 CV     1}
 ASSI {  442}
   (( segid "A   " and resid 29   and name HA  ))
   (( segid "A   " and resid 39   and name HN  ))
      2.700     0.900     0.900 {peak   442 spectrum    1 weight  0.10000E+01 volume  0.20985E-02 ppm1      5.277 ppm2      8.791 CV     1}
 ASSI {  444}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 30   and name HB  ))
      2.200     0.600     0.600 {peak   444 spectrum    1 weight  0.10000E+01 volume  0.72328E-02 ppm1      4.689 ppm2      1.781 CV     1}
 ASSI {  445}
   (( segid "A   " and resid 30   and name HA  ))
   (  segid "A   " and resid 30   and name HG2%)
      2.500     0.800     0.800 {peak   445 spectrum    1 weight  0.10000E+01 volume  0.40136E-02 ppm1      4.690 ppm2      0.776 CV     1}
 ASSI {  446}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 31   and name HN  ))
      2.000     0.500     0.500 {peak   446 spectrum    1 weight  0.10000E+01 volume  0.16044E-01 ppm1      4.687 ppm2      8.421 CV     1}
 ASSI {  447}
   (( segid "A   " and resid 30   and name HB  ))
   (  segid "A   " and resid 30   and name HG2%)
      1.900     0.500     0.500 {peak   447 spectrum    1 weight  0.10000E+01 volume  0.17623E-01 ppm1      1.773 ppm2      0.749 CV     1}
 ASSI {  448}
   (( segid "A   " and resid 30   and name HB  ))
   (( segid "A   " and resid 30   and name HG12))
      2.600     0.800     0.800 {peak   448 spectrum    1 weight  0.10000E+01 volume  0.29796E-02 ppm1      1.775 ppm2      1.390 CV     1}
 ASSI {  450}
   (( segid "A   " and resid 30   and name HB  ))
   (( segid "A   " and resid 31   and name HN  ))
      2.500     0.800     0.800 {peak   450 spectrum    1 weight  0.10000E+01 volume  0.34891E-02 ppm1      1.773 ppm2      8.408 CV     1}
 ASSI {  451}
   (( segid "A   " and resid 30   and name HB  ))
   (( segid "A   " and resid 30   and name HN  ))
      3.000     1.100     1.100 {peak   451 spectrum    1 weight  0.10000E+01 volume  0.11766E-02 ppm1      1.777 ppm2      9.097 CV     1}
 ASSI {  452}
   (( segid "A   " and resid 30   and name HB  ))
   (  segid "A   " and resid 39   and name HG2%)
      3.500     3.500     2.500 {peak   452 spectrum    1 weight  0.10000E+01 volume  0.50935E-03 ppm1      1.770 ppm2      0.055 CV     1}
 ASSI {  453}
   (( segid "A   " and resid 30   and name HB  ))
   (( segid "A   " and resid 28   and name HD2 ))
      3.500     3.500     2.500 {peak   453 spectrum    1 weight  0.10000E+01 volume  0.48439E-03 ppm1      1.793 ppm2      3.099 CV     1}
 OR {  453}
   (( segid "A   " and resid 30   and name HB  ))
   (( segid "A   " and resid 28   and name HD1 ))
 ASSI {  455}
   (( segid "A   " and resid 32   and name HA  ))
   (( segid "A   " and resid 31   and name HA  ))
      2.900     2.900     3.100 {peak   455 spectrum    1 weight  0.10000E+01 volume  0.15026E-02 ppm1      5.061 ppm2      4.467 CV     1}
 ASSI {  456}
   (( segid "A   " and resid 32   and name HA  ))
   (( segid "A   " and resid 32   and name HB  ))
      2.600     0.800     0.800 {peak   456 spectrum    1 weight  0.10000E+01 volume  0.32446E-02 ppm1      5.061 ppm2      4.789 CV     1}
 ASSI {  457}
   (( segid "A   " and resid 32   and name HA  ))
   (( segid "A   " and resid 33   and name HA  ))
      3.100     1.200     1.200 {peak   457 spectrum    1 weight  0.10000E+01 volume  0.10849E-02 ppm1      5.069 ppm2      4.183 CV     1}
 ASSI {  459}
   (( segid "A   " and resid 32   and name HB  ))
   (  segid "A   " and resid 32   and name HG2%)
      2.500     0.800     0.800 {peak   459 spectrum    1 weight  0.10000E+01 volume  0.39831E-02 ppm1      4.789 ppm2      1.271 CV     1}
 ASSI {  461}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 33   and name HG1 ))
      3.100     1.200     1.200 {peak   461 spectrum    1 weight  0.10000E+01 volume  0.10798E-02 ppm1      4.184 ppm2      1.506 CV     1}
 ASSI {  462}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 33   and name HB2 ))
      2.000     0.500     0.500 {peak   462 spectrum    1 weight  0.10000E+01 volume  0.12479E-01 ppm1      4.185 ppm2      1.894 CV     1}
 ASSI {  463}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 34   and name HN  ))
      3.400     1.400     1.400 {peak   463 spectrum    1 weight  0.10000E+01 volume  0.57556E-03 ppm1      4.190 ppm2      8.003 CV     1}
 ASSI {  464}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 34   and name HB1 ))
      2.200     0.600     0.600 {peak   464 spectrum    1 weight  0.10000E+01 volume  0.72328E-02 ppm1      4.996 ppm2      2.978 CV     1}
 ASSI {  465}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 34   and name HB2 ))
      2.700     0.900     0.900 {peak   465 spectrum    1 weight  0.10000E+01 volume  0.24805E-02 ppm1      4.996 ppm2      2.461 CV     1}
 ASSI {  466}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 35   and name HN  ))
      3.100     1.200     1.200 {peak   466 spectrum    1 weight  0.10000E+01 volume  0.10136E-02 ppm1      4.996 ppm2      7.452 CV     1}
 ASSI {  467}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 34   and name HN  ))
      3.900     1.900     1.900 {peak   467 spectrum    1 weight  0.10000E+01 volume  0.26079E-03 ppm1      4.993 ppm2      7.977 CV     1}
 ASSI {  468}
   (( segid "A   " and resid 34   and name HB2 ))
   (( segid "A   " and resid 34   and name HB1 ))
      2.100     0.600     0.600 {peak   468 spectrum    1 weight  0.10000E+01 volume  0.94226E-02 ppm1      2.453 ppm2      2.973 CV     1}
 ASSI {  470}
   (( segid "A   " and resid 35   and name HA2 ))
   (( segid "A   " and resid 35   and name HA1 ))
      2.200     0.600     0.600 {peak   470 spectrum    1 weight  0.10000E+01 volume  0.82005E-02 ppm1      3.923 ppm2      4.608 CV     1}
 ASSI {  472}
   (( segid "A   " and resid 36   and name HA  ))
   (( segid "A   " and resid 36   and name HB  ))
      2.100     0.500     0.500 {peak   472 spectrum    1 weight  0.10000E+01 volume  0.10900E-01 ppm1      4.679 ppm2      1.967 CV     1}
 ASSI {  473}
   (( segid "A   " and resid 36   and name HA  ))
   (  segid "A   " and resid 32   and name HG2%)
      4.400     2.400     1.600 {peak   473 spectrum    1 weight  0.10000E+01 volume  0.12275E-03 ppm1      4.680 ppm2      1.268 CV     1}
 ASSI {  475}
   (( segid "A   " and resid 36   and name HA  ))
   (( segid "A   " and resid 35   and name HN  ))
      4.400     2.400     1.600 {peak   475 spectrum    1 weight  0.10000E+01 volume  0.13141E-03 ppm1      4.679 ppm2      7.466 CV     1}
 ASSI {  476}
   (  segid "A   " and resid 36   and name HG1%)
   (( segid "A   " and resid 29   and name HG1 ))
      3.300     3.300     2.700 {peak   476 spectrum    1 weight  0.10000E+01 volume  0.66725E-03 ppm1      0.997 ppm2      2.286 CV     1}
 ASSI {  477}
   (  segid "A   " and resid 36   and name HG1%)
   (( segid "A   " and resid 36   and name HB  ))
      2.400     0.700     0.700 {peak   477 spectrum    1 weight  0.10000E+01 volume  0.43957E-02 ppm1      0.997 ppm2      1.956 CV     1}
 ASSI {  478}
   (  segid "A   " and resid 36   and name HG1%)
   (( segid "A   " and resid 36   and name HA  ))
      2.700     0.900     0.900 {peak   478 spectrum    1 weight  0.10000E+01 volume  0.22564E-02 ppm1      0.999 ppm2      4.668 CV     1}
 ASSI {  479}
   (  segid "A   " and resid 36   and name HG1%)
   (( segid "A   " and resid 31   and name HA  ))
      3.600     1.600     1.600 {peak   479 spectrum    1 weight  0.10000E+01 volume  0.44058E-03 ppm1      0.996 ppm2      4.491 CV     1}
 ASSI {  480}
   (  segid "A   " and resid 36   and name HG1%)
   (( segid "A   " and resid 36   and name HN  ))
      3.000     1.100     1.100 {peak   480 spectrum    1 weight  0.10000E+01 volume  0.12377E-02 ppm1      1.003 ppm2      8.446 CV     1}
 ASSI {  481}
   (  segid "A   " and resid 36   and name HG1%)
   (( segid "A   " and resid 37   and name HN  ))
      3.400     1.500     1.500 {peak   481 spectrum    1 weight  0.10000E+01 volume  0.55518E-03 ppm1      1.002 ppm2      9.007 CV     1}
 ASSI {  482}
   (  segid "A   " and resid 36   and name HG2%)
   (( segid "A   " and resid 36   and name HB  ))
      2.700     0.900     0.900 {peak   482 spectrum    1 weight  0.10000E+01 volume  0.22717E-02 ppm1      0.906 ppm2      1.952 CV     1}
 ASSI {  483}
   (  segid "A   " and resid 36   and name HG2%)
   (( segid "A   " and resid 29   and name HG1 ))
      3.700     1.700     1.700 {peak   483 spectrum    1 weight  0.10000E+01 volume  0.34941E-03 ppm1      0.902 ppm2      2.266 CV     1}
 ASSI {  484}
   (  segid "A   " and resid 36   and name HG2%)
   (( segid "A   " and resid 36   and name HA  ))
      2.600     0.800     0.800 {peak   484 spectrum    1 weight  0.10000E+01 volume  0.30764E-02 ppm1      0.906 ppm2      4.677 CV     1}
 ASSI {  485}
   (  segid "A   " and resid 36   and name HG2%)
   (( segid "A   " and resid 31   and name HA  ))
      2.300     2.300     3.700 {peak   485 spectrum    1 weight  0.10000E+01 volume  0.59594E-02 ppm1      0.901 ppm2      4.481 CV     1}
 ASSI {  486}
   (  segid "A   " and resid 36   and name HG2%)
   (( segid "A   " and resid 37   and name HN  ))
      2.500     0.800     0.800 {peak   486 spectrum    1 weight  0.10000E+01 volume  0.37743E-02 ppm1      0.904 ppm2      9.028 CV     1}
 ASSI {  487}
   (  segid "A   " and resid 36   and name HG2%)
   (( segid "A   " and resid 31   and name HN  ))
      5.600     3.900     0.400 {peak   487 spectrum    1 weight  0.10000E+01 volume  0.28524E-04 ppm1      0.905 ppm2      8.393 CV     1}
 ASSI {  488}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 37   and name HD2 ))
      2.600     2.600     3.400 {peak   488 spectrum    1 weight  0.10000E+01 volume  0.26129E-02 ppm1      4.906 ppm2      3.453 CV     1}
 ASSI {  489}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 37   and name HD1 ))
      4.200     2.200     1.800 {peak   489 spectrum    1 weight  0.10000E+01 volume  0.15637E-03 ppm1      4.911 ppm2      3.224 CV     1}
 ASSI {  490}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 37   and name HB2 ))
      1.800     0.400     0.400 {peak   490 spectrum    1 weight  0.10000E+01 volume  0.28319E-01 ppm1      4.907 ppm2      1.761 CV     1}
 ASSI {  491}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 38   and name HN  ))
      1.900     0.500     0.500 {peak   491 spectrum    1 weight  0.10000E+01 volume  0.17317E-01 ppm1      4.908 ppm2      8.616 CV     1}
 ASSI {  493}
   (( segid "A   " and resid 38   and name HA  ))
   (  segid "A   " and resid 38   and name HG2%)
      2.400     0.700     0.700 {peak   493 spectrum    1 weight  0.10000E+01 volume  0.41766E-02 ppm1      5.073 ppm2      1.123 CV     1}
 ASSI {  494}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 39   and name HG11))
      3.000     1.200     1.200 {peak   494 spectrum    1 weight  0.10000E+01 volume  0.11409E-02 ppm1      5.071 ppm2      0.841 CV     1}
 ASSI {  495}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 29   and name HB1 ))
      4.000     2.000     2.000 {peak   495 spectrum    1 weight  0.10000E+01 volume  0.22768E-03 ppm1      5.070 ppm2      1.809 CV     1}
 ASSI {  496}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 39   and name HN  ))
      2.200     0.600     0.600 {peak   496 spectrum    1 weight  0.10000E+01 volume  0.76911E-02 ppm1      5.073 ppm2      8.792 CV     1}
 ASSI {  497}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 30   and name HN  ))
      3.500     1.500     1.500 {peak   497 spectrum    1 weight  0.10000E+01 volume  0.47471E-03 ppm1      5.071 ppm2      9.115 CV     1}
 ASSI {  499}
   (( segid "A   " and resid 38   and name HB  ))
   (  segid "A   " and resid 38   and name HG2%)
      2.200     0.600     0.600 {peak   499 spectrum    1 weight  0.10000E+01 volume  0.77930E-02 ppm1      3.963 ppm2      1.123 CV     1}
 ASSI {  500}
   (( segid "A   " and resid 38   and name HB  ))
   (( segid "A   " and resid 38   and name HA  ))
      2.800     1.000     1.000 {peak   500 spectrum    1 weight  0.10000E+01 volume  0.20272E-02 ppm1      3.966 ppm2      5.058 CV     1}
 ASSI {  501}
   (( segid "A   " and resid 38   and name HB  ))
   (( segid "A   " and resid 38   and name HN  ))
      2.700     0.900     0.900 {peak   501 spectrum    1 weight  0.10000E+01 volume  0.23684E-02 ppm1      3.963 ppm2      8.619 CV     1}
 ASSI {  502}
   (( segid "A   " and resid 38   and name HB  ))
   (( segid "A   " and resid 39   and name HN  ))
      3.300     1.400     1.400 {peak   502 spectrum    1 weight  0.10000E+01 volume  0.64687E-03 ppm1      3.962 ppm2      8.789 CV     1}
 ASSI {  506}
   (  segid "A   " and resid 38   and name HG2%)
   (( segid "A   " and resid 39   and name HN  ))
      2.800     2.800     3.200 {peak   506 spectrum    1 weight  0.10000E+01 volume  0.17267E-02 ppm1      1.114 ppm2      8.792 CV     1}
 ASSI {  507}
   (  segid "A   " and resid 38   and name HG2%)
   (( segid "A   " and resid 38   and name HN  ))
      3.100     1.200     1.200 {peak   507 spectrum    1 weight  0.10000E+01 volume  0.91685E-03 ppm1      1.117 ppm2      8.605 CV     1}
 ASSI {  508}
   (  segid "A   " and resid 91   and name HG2%)
   (( segid "A   " and resid 92   and name HN  ))
      2.500     0.800     0.800 {peak   508 spectrum    1 weight  0.10000E+01 volume  0.33362E-02 ppm1      1.123 ppm2      9.144 CV     1}
 ASSI {  509}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 56   and name HA  ))
      2.800     1.000     1.000 {peak   509 spectrum    1 weight  0.10000E+01 volume  0.20323E-02 ppm1      5.431 ppm2      5.048 CV     1}
 ASSI {  510}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 38   and name HB  ))
      4.200     2.200     1.800 {peak   510 spectrum    1 weight  0.10000E+01 volume  0.15790E-03 ppm1      5.429 ppm2      3.974 CV     1}
 ASSI {  511}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 55   and name HB2 ))
      3.700     1.700     1.700 {peak   511 spectrum    1 weight  0.10000E+01 volume  0.33159E-03 ppm1      5.431 ppm2      1.944 CV     1}
 ASSI {  512}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 56   and name HB2 ))
      4.300     2.300     1.700 {peak   512 spectrum    1 weight  0.10000E+01 volume  0.13956E-03 ppm1      5.428 ppm2      3.441 CV     1}
 ASSI {  513}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 40   and name HN  ))
      2.200     0.600     0.600 {peak   513 spectrum    1 weight  0.10000E+01 volume  0.75893E-02 ppm1      5.432 ppm2      8.707 CV     1}
 ASSI {  515}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 39   and name HG11))
      4.500     2.500     1.500 {peak   515 spectrum    1 weight  0.10000E+01 volume  0.11154E-03 ppm1      5.436 ppm2      0.825 CV     1}
 ASSI {  516}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 39   and name HG12))
      4.000     2.000     2.000 {peak   516 spectrum    1 weight  0.10000E+01 volume  0.20323E-03 ppm1      5.425 ppm2      0.449 CV     1}
 ASSI {  517}
   (( segid "A   " and resid 39   and name HA  ))
   (  segid "A   " and resid 39   and name HG2%)
      2.400     0.700     0.700 {peak   517 spectrum    1 weight  0.10000E+01 volume  0.41817E-02 ppm1      5.432 ppm2      0.033 CV     1}
 ASSI {  518}
   (( segid "A   " and resid 39   and name HB  ))
   (( segid "A   " and resid 40   and name HN  ))
      2.300     0.700     0.700 {peak   518 spectrum    1 weight  0.10000E+01 volume  0.58066E-02 ppm1      1.173 ppm2      8.708 CV     1}
 ASSI {  520}
   (( segid "A   " and resid 39   and name HB  ))
   (( segid "A   " and resid 56   and name HE3 ))
      4.100     2.100     1.900 {peak   520 spectrum    1 weight  0.10000E+01 volume  0.18490E-03 ppm1      1.182 ppm2      7.525 CV     1}
 ASSI {  521}
   (( segid "A   " and resid 39   and name HB  ))
   (( segid "A   " and resid 39   and name HA  ))
      2.400     0.700     0.700 {peak   521 spectrum    1 weight  0.10000E+01 volume  0.42684E-02 ppm1      1.174 ppm2      5.430 CV     1}
 ASSI {  523}
   (( segid "A   " and resid 39   and name HB  ))
   (( segid "A   " and resid 40   and name HA  ))
      3.200     1.300     1.300 {peak   523 spectrum    1 weight  0.10000E+01 volume  0.79459E-03 ppm1      1.168 ppm2      4.492 CV     1}
 ASSI {  524}
   (( segid "A   " and resid 39   and name HB  ))
   (( segid "A   " and resid 60   and name HA  ))
      3.300     3.300     2.700 {peak   524 spectrum    1 weight  0.10000E+01 volume  0.65706E-03 ppm1      1.179 ppm2      3.998 CV     1}
 ASSI {  525}
   (( segid "A   " and resid 39   and name HB  ))
   (( segid "A   " and resid 39   and name HG12))
      3.400     1.500     1.500 {peak   525 spectrum    1 weight  0.10000E+01 volume  0.57047E-03 ppm1      1.175 ppm2      0.461 CV     1}
 ASSI {  526}
   (( segid "A   " and resid 39   and name HB  ))
   (  segid "A   " and resid 39   and name HD1%)
      2.400     0.700     0.700 {peak   526 spectrum    1 weight  0.10000E+01 volume  0.49203E-02 ppm1      1.173 ppm2      0.155 CV     1}
 ASSI {  527}
   (( segid "A   " and resid 39   and name HB  ))
   (  segid "A   " and resid 39   and name HG2%)
      2.300     0.600     0.600 {peak   527 spectrum    1 weight  0.10000E+01 volume  0.68252E-02 ppm1      1.175 ppm2      0.055 CV     1}
 ASSI {  528}
   (( segid "A   " and resid 39   and name HB  ))
   (  segid "A   " and resid 30   and name HG2%)
      2.400     2.400     3.600 {peak   528 spectrum    1 weight  0.10000E+01 volume  0.46096E-02 ppm1      1.176 ppm2      0.753 CV     1}
 ASSI {  529}
   (( segid "A   " and resid 40   and name HB2 ))
   (  segid "A   " and resid 60   and name HB% )
      2.600     0.900     0.900 {peak   529 spectrum    1 weight  0.10000E+01 volume  0.27556E-02 ppm1      3.346 ppm2      1.155 CV     1}
 ASSI {  530}
   (( segid "A   " and resid 40   and name HB2 ))
   (( segid "A   " and resid 40   and name HB1 ))
      2.700     0.900     0.900 {peak   530 spectrum    1 weight  0.10000E+01 volume  0.22361E-02 ppm1      3.346 ppm2      4.063 CV     1}
 ASSI {  531}
   (( segid "A   " and resid 40   and name HB2 ))
   (( segid "A   " and resid 40   and name HA  ))
      2.300     0.700     0.700 {peak   531 spectrum    1 weight  0.10000E+01 volume  0.55009E-02 ppm1      3.343 ppm2      4.519 CV     1}
 ASSI {  533}
   (( segid "A   " and resid 40   and name HB2 ))
   (( segid "A   " and resid 28   and name HN  ))
      3.700     1.700     1.700 {peak   533 spectrum    1 weight  0.10000E+01 volume  0.37743E-03 ppm1      3.339 ppm2      9.218 CV     1}
 ASSI {  536}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 42   and name HA  ))
      2.600     2.600     3.400 {peak   536 spectrum    1 weight  0.10000E+01 volume  0.28014E-02 ppm1      5.399 ppm2      5.133 CV     1}
 ASSI {  537}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 54   and name HA  ))
      2.900     1.000     1.000 {peak   537 spectrum    1 weight  0.10000E+01 volume  0.16044E-02 ppm1      5.401 ppm2      4.443 CV     1}
 ASSI {  538}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 41   and name HB2 ))
      2.100     0.600     0.600 {peak   538 spectrum    1 weight  0.10000E+01 volume  0.95251E-02 ppm1      5.402 ppm2      1.839 CV     1}
 ASSI {  539}
   (( segid "A   " and resid 41   and name HA  ))
   (  segid "A   " and resid 42   and name HB% )
      3.000     1.100     1.100 {peak   539 spectrum    1 weight  0.10000E+01 volume  0.12275E-02 ppm1      5.403 ppm2      1.297 CV     1}
 ASSI {  540}
   (( segid "A   " and resid 41   and name HA  ))
   (  segid "A   " and resid 55   and name HD1%)
      3.400     1.400     1.400 {peak   540 spectrum    1 weight  0.10000E+01 volume  0.58066E-03 ppm1      5.401 ppm2      0.685 CV     1}
 ASSI {  541}
   (( segid "A   " and resid 41   and name HA  ))
   (  segid "A   " and resid 54   and name HG2%)
      3.300     1.300     1.300 {peak   541 spectrum    1 weight  0.10000E+01 volume  0.75383E-03 ppm1      5.409 ppm2      0.195 CV     1}
 ASSI {  543}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 41   and name HG2 ))
      2.200     0.600     0.600 {peak   543 spectrum    1 weight  0.10000E+01 volume  0.70799E-02 ppm1      5.402 ppm2      2.038 CV     1}
 ASSI {  544}
   (( segid "A   " and resid 41   and name HG2 ))
   (  segid "A   " and resid 39   and name HD1%)
      4.500     2.500     1.500 {peak   544 spectrum    1 weight  0.10000E+01 volume  0.10849E-03 ppm1      2.038 ppm2      0.164 CV     1}
 ASSI {  545}
   (( segid "A   " and resid 72   and name HG1 ))
   (( segid "A   " and resid 72   and name HA  ))
      4.200     2.200     1.800 {peak   545 spectrum    1 weight  0.10000E+01 volume  0.17317E-03 ppm1      2.036 ppm2      4.985 CV     1}
 ASSI {  547}
   (( segid "A   " and resid 41   and name HG2 ))
   (( segid "A   " and resid 42   and name HN  ))
      3.300     3.300     2.700 {peak   547 spectrum    1 weight  0.10000E+01 volume  0.69271E-03 ppm1      2.046 ppm2      9.351 CV     1}
 ASSI {  548}
   (( segid "A   " and resid 41   and name HG2 ))
   (( segid "A   " and resid 55   and name HN  ))
      2.800     2.800     3.200 {peak   548 spectrum    1 weight  0.10000E+01 volume  0.17623E-02 ppm1      2.054 ppm2      8.731 CV     1}
 ASSI {  549}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 41   and name HB1 ))
      3.800     1.800     1.800 {peak   549 spectrum    1 weight  0.10000E+01 volume  0.29237E-03 ppm1      5.109 ppm2      1.866 CV     1}
 ASSI {  550}
   (( segid "A   " and resid 42   and name HA  ))
   (  segid "A   " and resid 42   and name HB% )
      2.100     0.500     0.500 {peak   550 spectrum    1 weight  0.10000E+01 volume  0.11766E-01 ppm1      5.109 ppm2      1.308 CV     1}
 ASSI {  551}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 43   and name HN  ))
      2.100     0.600     0.600 {peak   551 spectrum    1 weight  0.10000E+01 volume  0.99324E-02 ppm1      5.110 ppm2      8.528 CV     1}
 ASSI {  552}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 42   and name HN  ))
      3.600     1.600     1.600 {peak   552 spectrum    1 weight  0.10000E+01 volume  0.42378E-03 ppm1      5.110 ppm2      9.344 CV     1}
 ASSI {  553}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 24   and name HN  ))
      3.100     1.200     1.200 {peak   553 spectrum    1 weight  0.10000E+01 volume  0.10696E-02 ppm1      5.111 ppm2      9.087 CV     1}
 ASSI {  556}
   (  segid "A   " and resid 42   and name HB% )
   (  segid "A   " and resid 55   and name HD1%)
      2.400     0.700     0.700 {peak   556 spectrum    1 weight  0.10000E+01 volume  0.50527E-02 ppm1      1.323 ppm2      0.669 CV     1}
 ASSI {  557}
   (  segid "A   " and resid 42   and name HB% )
   (( segid "A   " and resid 53   and name HB2 ))
      3.200     1.300     1.300 {peak   557 spectrum    1 weight  0.10000E+01 volume  0.81495E-03 ppm1      1.323 ppm2      0.987 CV     1}
 ASSI {  558}
   (  segid "A   " and resid 42   and name HB% )
   (( segid "A   " and resid 24   and name HA  ))
      2.800     1.000     1.000 {peak   558 spectrum    1 weight  0.10000E+01 volume  0.19253E-02 ppm1      1.324 ppm2      4.883 CV     1}
 ASSI {  561}
   (  segid "A   " and resid 42   and name HB% )
   (( segid "A   " and resid 43   and name HN  ))
      2.600     0.800     0.800 {peak   561 spectrum    1 weight  0.10000E+01 volume  0.29644E-02 ppm1      1.323 ppm2      8.539 CV     1}
 ASSI {  562}
   (  segid "A   " and resid 42   and name HB% )
   (( segid "A   " and resid 23   and name HN  ))
      4.000     2.000     2.000 {peak   562 spectrum    1 weight  0.10000E+01 volume  0.20272E-03 ppm1      1.329 ppm2      7.595 CV     1}
 ASSI {  564}
   (  segid "A   " and resid 42   and name HB% )
   (( segid "A   " and resid 24   and name HN  ))
      4.400     2.400     1.600 {peak   564 spectrum    1 weight  0.10000E+01 volume  0.13040E-03 ppm1      1.323 ppm2      9.122 CV     1}
 ASSI {  565}
   (( segid "A   " and resid 43   and name HA  ))
   (  segid "A   " and resid 43   and name HD1%)
      2.300     0.700     0.700 {peak   565 spectrum    1 weight  0.10000E+01 volume  0.56028E-02 ppm1      4.807 ppm2      0.753 CV     1}
 ASSI {  567}
   (( segid "A   " and resid 43   and name HB  ))
   (( segid "A   " and resid 43   and name HG11))
      2.300     0.600     0.600 {peak   567 spectrum    1 weight  0.10000E+01 volume  0.68252E-02 ppm1      1.776 ppm2      1.489 CV     1}
 ASSI {  568}
   (( segid "A   " and resid 43   and name HB  ))
   (( segid "A   " and resid 43   and name HG12))
      3.000     1.100     1.100 {peak   568 spectrum    1 weight  0.10000E+01 volume  0.13091E-02 ppm1      1.773 ppm2      1.214 CV     1}
 ASSI {  569}
   (( segid "A   " and resid 71   and name HB  ))
   (  segid "A   " and resid 17   and name HG2%)
      2.200     2.200     3.800 {peak   569 spectrum    1 weight  0.10000E+01 volume  0.70290E-02 ppm1      1.772 ppm2      0.811 CV     1}
 ASSI {  570}
   (( segid "A   " and resid 71   and name HB  ))
   (  segid "A   " and resid 17   and name HG1%)
      2.200     0.600     0.600 {peak   570 spectrum    1 weight  0.10000E+01 volume  0.89645E-02 ppm1      1.774 ppm2      0.636 CV     1}
 ASSI {  571}
   (( segid "A   " and resid 43   and name HB  ))
   (( segid "A   " and resid 43   and name HA  ))
      3.300     1.300     1.300 {peak   571 spectrum    1 weight  0.10000E+01 volume  0.73346E-03 ppm1      1.773 ppm2      4.801 CV     1}
 ASSI {  572}
   (( segid "A   " and resid 43   and name HB  ))
   (( segid "A   " and resid 43   and name HN  ))
      2.600     0.800     0.800 {peak   572 spectrum    1 weight  0.10000E+01 volume  0.30815E-02 ppm1      1.768 ppm2      8.551 CV     1}
 ASSI {  574}
   (( segid "A   " and resid 43   and name HB  ))
   (( segid "A   " and resid 23   and name HN  ))
      3.100     1.200     1.200 {peak   574 spectrum    1 weight  0.10000E+01 volume  0.97283E-03 ppm1      1.779 ppm2      7.588 CV     1}
 ASSI {  576}
   (( segid "A   " and resid 44   and name HA  ))
   (( segid "A   " and resid 22   and name HN  ))
      2.500     0.800     0.800 {peak   576 spectrum    1 weight  0.10000E+01 volume  0.34177E-02 ppm1      5.631 ppm2      9.248 CV     1}
 ASSI {  577}
   (( segid "A   " and resid 111  and name HA  ))
   (( segid "A   " and resid 50   and name HN  ))
      2.800     1.000     1.000 {peak   577 spectrum    1 weight  0.10000E+01 volume  0.20017E-02 ppm1      5.631 ppm2      8.501 CV     1}
 ASSI {  579}
   (( segid "A   " and resid 44   and name HA  ))
   (( segid "A   " and resid 20   and name HA  ))
      3.900     1.900     1.900 {peak   579 spectrum    1 weight  0.10000E+01 volume  0.24397E-03 ppm1      5.633 ppm2      5.085 CV     1}
 ASSI {  580}
   (( segid "A   " and resid 111  and name HA  ))
   (( segid "A   " and resid 112  and name HD2 ))
      2.300     0.600     0.600 {peak   580 spectrum    1 weight  0.10000E+01 volume  0.67234E-02 ppm1      5.634 ppm2      3.606 CV     1}
 ASSI {  581}
   (( segid "A   " and resid 111  and name HA  ))
   (( segid "A   " and resid 112  and name HD1 ))
      2.100     0.500     0.500 {peak   581 spectrum    1 weight  0.10000E+01 volume  0.11308E-01 ppm1      5.633 ppm2      4.135 CV     1}
 ASSI {  583}
   (( segid "A   " and resid 111  and name HA  ))
   (  segid "A   " and resid 111  and name HG2%)
      2.400     0.700     0.700 {peak   583 spectrum    1 weight  0.10000E+01 volume  0.47013E-02 ppm1      5.631 ppm2      1.348 CV     1}
 ASSI {  584}
   (( segid "A   " and resid 44   and name HA  ))
   (( segid "A   " and resid 22   and name HB1 ))
      3.200     1.300     1.300 {peak   584 spectrum    1 weight  0.10000E+01 volume  0.75893E-03 ppm1      5.630 ppm2      1.667 CV     1}
 ASSI {  585}
   (( segid "A   " and resid 44   and name HA  ))
   (( segid "A   " and resid 44   and name HB  ))
      2.200     0.600     0.600 {peak   585 spectrum    1 weight  0.10000E+01 volume  0.71818E-02 ppm1      5.631 ppm2      1.959 CV     1}
 ASSI {  586}
   (( segid "A   " and resid 44   and name HA  ))
   (  segid "A   " and resid 22   and name HD2%)
      2.400     2.400     3.600 {peak   586 spectrum    1 weight  0.10000E+01 volume  0.47165E-02 ppm1      5.631 ppm2      0.800 CV     1}
 ASSI {  588}
   (( segid "A   " and resid 44   and name HB  ))
   (  segid "A   " and resid 19   and name HG1%)
      2.100     0.600     0.600 {peak   588 spectrum    1 weight  0.10000E+01 volume  0.10034E-01 ppm1      1.966 ppm2      0.647 CV     1}
 ASSI {  591}
   (( segid "A   " and resid 44   and name HB  ))
   (( segid "A   " and resid 45   and name HN  ))
      2.500     0.800     0.800 {peak   591 spectrum    1 weight  0.10000E+01 volume  0.35349E-02 ppm1      1.971 ppm2      8.880 CV     1}
 ASSI {  592}
   (( segid "A   " and resid 44   and name HB  ))
   (( segid "A   " and resid 22   and name HN  ))
      2.500     2.500     3.500 {peak   592 spectrum    1 weight  0.10000E+01 volume  0.36214E-02 ppm1      1.970 ppm2      9.244 CV     1}
 ASSI {  593}
   (  segid "A   " and resid 44   and name HG2%)
   (( segid "A   " and resid 44   and name HA  ))
      2.600     0.900     0.900 {peak   593 spectrum    1 weight  0.10000E+01 volume  0.26333E-02 ppm1      0.728 ppm2      5.621 CV     1}
 ASSI {  594}
   (  segid "A   " and resid 44   and name HG2%)
   (( segid "A   " and resid 45   and name HA2 ))
      2.800     2.800     3.200 {peak   594 spectrum    1 weight  0.10000E+01 volume  0.18184E-02 ppm1      0.725 ppm2      5.070 CV     1}
 ASSI {  596}
   (  segid "A   " and resid 44   and name HG2%)
   (( segid "A   " and resid 44   and name HN  ))
      2.200     2.200     3.800 {peak   596 spectrum    1 weight  0.10000E+01 volume  0.70290E-02 ppm1      0.729 ppm2      8.950 CV     1}
 ASSI {  597}
   (  segid "A   " and resid 44   and name HG2%)
   (( segid "A   " and resid 44   and name HB  ))
      2.800     1.000     1.000 {peak   597 spectrum    1 weight  0.10000E+01 volume  0.17674E-02 ppm1      0.727 ppm2      1.961 CV     1}
 ASSI {  600}
   (( segid "A   " and resid 45   and name HA2 ))
   (( segid "A   " and resid 50   and name HA  ))
      2.700     0.900     0.900 {peak   600 spectrum    1 weight  0.10000E+01 volume  0.22004E-02 ppm1      5.061 ppm2      5.635 CV     1}
 ASSI {  601}
   (( segid "A   " and resid 45   and name HA2 ))
   (( segid "A   " and resid 45   and name HA1 ))
      2.500     0.800     0.800 {peak   601 spectrum    1 weight  0.10000E+01 volume  0.38456E-02 ppm1      5.057 ppm2      4.212 CV     1}
 ASSI {  604}
   (( segid "A   " and resid 45   and name HA2 ))
   (  segid "A   " and resid 19   and name HG1%)
      4.900     3.000     1.100 {peak   604 spectrum    1 weight  0.10000E+01 volume  0.62140E-04 ppm1      5.056 ppm2      0.671 CV     1}
 ASSI {  606}
   (  segid "A   " and resid 48   and name HG2%)
   (( segid "A   " and resid 48   and name HB  ))
      2.300     0.700     0.700 {peak   606 spectrum    1 weight  0.10000E+01 volume  0.56537E-02 ppm1      1.144 ppm2      4.388 CV     1}
 ASSI {  607}
   (  segid "A   " and resid 48   and name HG2%)
   (( segid "A   " and resid 48   and name HA  ))
      2.400     0.700     0.700 {peak   607 spectrum    1 weight  0.10000E+01 volume  0.45638E-02 ppm1      1.144 ppm2      4.597 CV     1}
 ASSI {  608}
   (  segid "A   " and resid 48   and name HG2%)
   (( segid "A   " and resid 49   and name HN  ))
      2.800     2.800     3.200 {peak   608 spectrum    1 weight  0.10000E+01 volume  0.18285E-02 ppm1      1.146 ppm2      7.765 CV     1}
 ASSI {  609}
   (  segid "A   " and resid 48   and name HG2%)
   (( segid "A   " and resid 48   and name HN  ))
      2.900     1.000     1.000 {peak   609 spectrum    1 weight  0.10000E+01 volume  0.15943E-02 ppm1      1.146 ppm2      9.500 CV     1}
 ASSI {  610}
   (  segid "A   " and resid 48   and name HG2%)
   (( segid "A   " and resid 4    and name HB1 ))
      2.800     0.900     0.900 {peak   610 spectrum    1 weight  0.10000E+01 volume  0.20629E-02 ppm1      1.146 ppm2      2.376 CV     1}
 ASSI {  611}
   (  segid "A   " and resid 48   and name HG2%)
   (( segid "A   " and resid 47   and name HG1 ))
      3.000     3.000     3.000 {peak   611 spectrum    1 weight  0.10000E+01 volume  0.13345E-02 ppm1      1.144 ppm2      2.151 CV     1}
 ASSI {  612}
   (  segid "A   " and resid 48   and name HG2%)
   (( segid "A   " and resid 4    and name HG2 ))
      2.600     0.900     0.900 {peak   612 spectrum    1 weight  0.10000E+01 volume  0.27861E-02 ppm1      1.146 ppm2      1.536 CV     1}
 OR {  612}
   (  segid "A   " and resid 48   and name HG2%)
   (( segid "A   " and resid 4    and name HG1 ))
 ASSI {  613}
   (( segid "A   " and resid 49   and name HA2 ))
   (( segid "A   " and resid 49   and name HA1 ))
      2.500     0.800     0.800 {peak   613 spectrum    1 weight  0.10000E+01 volume  0.34381E-02 ppm1      4.275 ppm2      3.881 CV     1}
 ASSI {  614}
   (( segid "A   " and resid 49   and name HA2 ))
   (( segid "A   " and resid 48   and name HA  ))
      4.300     2.300     1.700 {peak   614 spectrum    1 weight  0.10000E+01 volume  0.14058E-03 ppm1      4.279 ppm2      4.640 CV     1}
 ASSI {  616}
   (( segid "A   " and resid 49   and name HA2 ))
   (( segid "A   " and resid 49   and name HN  ))
      4.000     2.000     2.000 {peak   616 spectrum    1 weight  0.10000E+01 volume  0.22462E-03 ppm1      4.280 ppm2      7.724 CV     1}
 ASSI {  618}
   (( segid "A   " and resid 50   and name HA  ))
   (( segid "A   " and resid 45   and name HA1 ))
      3.200     1.200     1.200 {peak   618 spectrum    1 weight  0.10000E+01 volume  0.90664E-03 ppm1      5.633 ppm2      4.212 CV     1}
 ASSI {  619}
   (( segid "A   " and resid 50   and name HA  ))
   (  segid "A   " and resid 5    and name HG1%)
      2.500     0.800     0.800 {peak   619 spectrum    1 weight  0.10000E+01 volume  0.40340E-02 ppm1      5.632 ppm2      0.554 CV     1}
 ASSI {  620}
   (( segid "A   " and resid 50   and name HA  ))
   (  segid "A   " and resid 5    and name HG2%)
      2.700     0.900     0.900 {peak   620 spectrum    1 weight  0.10000E+01 volume  0.22920E-02 ppm1      5.631 ppm2      0.784 CV     1}
 ASSI {  621}
   (( segid "A   " and resid 50   and name HA  ))
   (  segid "A   " and resid 107  and name HG2%)
      3.200     1.200     1.200 {peak   621 spectrum    1 weight  0.10000E+01 volume  0.90664E-03 ppm1      5.633 ppm2      1.144 CV     1}
 ASSI {  622}
   (( segid "A   " and resid 50   and name HA  ))
   (( segid "A   " and resid 50   and name HG1 ))
      2.300     0.700     0.700 {peak   622 spectrum    1 weight  0.10000E+01 volume  0.59084E-02 ppm1      5.629 ppm2      1.519 CV     1}
 OR {  622}
   (( segid "A   " and resid 50   and name HA  ))
   (( segid "A   " and resid 50   and name HG2 ))
 ASSI {  623}
   (( segid "A   " and resid 50   and name HA  ))
   (( segid "A   " and resid 51   and name HB  ))
      3.500     1.500     1.500 {peak   623 spectrum    1 weight  0.10000E+01 volume  0.47624E-03 ppm1      5.629 ppm2      1.911 CV     1}
 ASSI {  625}
   (( segid "A   " and resid 50   and name HA  ))
   (( segid "A   " and resid 45   and name HN  ))
      4.300     2.300     1.700 {peak   625 spectrum    1 weight  0.10000E+01 volume  0.13650E-03 ppm1      5.629 ppm2      8.927 CV     1}
 ASSI {  627}
   (( segid "A   " and resid 51   and name HB  ))
   (  segid "A   " and resid 51   and name HG1%)
      2.200     0.600     0.600 {peak   627 spectrum    1 weight  0.10000E+01 volume  0.73346E-02 ppm1      1.908 ppm2      0.588 CV     1}
 ASSI {  628}
   (( segid "A   " and resid 51   and name HB  ))
   (  segid "A   " and resid 51   and name HG2%)
      2.400     0.700     0.700 {peak   628 spectrum    1 weight  0.10000E+01 volume  0.42327E-02 ppm1      1.908 ppm2      1.047 CV     1}
 ASSI {  629}
   (( segid "A   " and resid 51   and name HB  ))
   (( segid "A   " and resid 112  and name HD1 ))
      3.200     1.300     1.300 {peak   629 spectrum    1 weight  0.10000E+01 volume  0.86080E-03 ppm1      1.904 ppm2      4.119 CV     1}
 ASSI {  630}
   (( segid "A   " and resid 51   and name HB  ))
   (( segid "A   " and resid 112  and name HD2 ))
      3.900     1.900     1.900 {peak   630 spectrum    1 weight  0.10000E+01 volume  0.23990E-03 ppm1      1.904 ppm2      3.603 CV     1}
 ASSI {  631}
   (( segid "A   " and resid 51   and name HB  ))
   (( segid "A   " and resid 51   and name HA  ))
      2.700     0.900     0.900 {peak   631 spectrum    1 weight  0.10000E+01 volume  0.22309E-02 ppm1      1.908 ppm2      4.626 CV     1}
 ASSI {  632}
   (( segid "A   " and resid 51   and name HB  ))
   (( segid "A   " and resid 52   and name HN  ))
      2.700     2.700     3.300 {peak   632 spectrum    1 weight  0.10000E+01 volume  0.24245E-02 ppm1      1.908 ppm2      8.439 CV     1}
 ASSI {  635}
   (  segid "A   " and resid 51   and name HG2%)
   (( segid "A   " and resid 85   and name HN  ))
      3.100     1.200     1.200 {peak   635 spectrum    1 weight  0.10000E+01 volume  0.94743E-03 ppm1      1.043 ppm2      8.941 CV     1}
 ASSI {  637}
   (  segid "A   " and resid 51   and name HG2%)
   (( segid "A   " and resid 51   and name HA  ))
      2.100     0.600     0.600 {peak   637 spectrum    1 weight  0.10000E+01 volume  0.10187E-01 ppm1      1.041 ppm2      4.658 CV     1}
 ASSI {  638}
   (  segid "A   " and resid 51   and name HG2%)
   (( segid "A   " and resid 45   and name HA2 ))
      4.500     2.500     1.500 {peak   638 spectrum    1 weight  0.10000E+01 volume  0.10747E-03 ppm1      1.044 ppm2      5.027 CV     1}
 ASSI {  639}
   (  segid "A   " and resid 51   and name HG2%)
   (( segid "A   " and resid 112  and name HD1 ))
      3.500     1.600     1.600 {peak   639 spectrum    1 weight  0.10000E+01 volume  0.45587E-03 ppm1      1.045 ppm2      4.134 CV     1}
 ASSI {  641}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 52   and name HN  ))
      2.200     0.600     0.600 {peak   641 spectrum    1 weight  0.10000E+01 volume  0.84552E-02 ppm1      4.732 ppm2      8.427 CV     1}
 ASSI {  642}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 53   and name HN  ))
      2.200     0.600     0.600 {peak   642 spectrum    1 weight  0.10000E+01 volume  0.90154E-02 ppm1      4.731 ppm2      9.144 CV     1}
 ASSI {  643}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 52   and name HB1 ))
      1.800     1.800     4.200 {peak   643 spectrum    1 weight  0.10000E+01 volume  0.25315E-01 ppm1      4.731 ppm2      1.790 CV     1}
 ASSI {  644}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 43   and name HG11))
      1.900     1.900     4.100 {peak   644 spectrum    1 weight  0.10000E+01 volume  0.20068E-01 ppm1      4.734 ppm2      1.477 CV     1}
 ASSI {  646}
   (( segid "A   " and resid 53   and name HA  ))
   (  segid "A   " and resid 53   and name HD2%)
      2.400     0.700     0.700 {peak   646 spectrum    1 weight  0.10000E+01 volume  0.41971E-02 ppm1      5.084 ppm2      0.473 CV     1}
 ASSI {  647}
   (( segid "A   " and resid 53   and name HA  ))
   (( segid "A   " and resid 53   and name HB1 ))
      3.100     1.200     1.200 {peak   647 spectrum    1 weight  0.10000E+01 volume  0.10696E-02 ppm1      5.082 ppm2      1.568 CV     1}
 ASSI {  649}
   (  segid "A   " and resid 53   and name HD1%)
   (( segid "A   " and resid 53   and name HB2 ))
      2.600     0.900     0.900 {peak   649 spectrum    1 weight  0.10000E+01 volume  0.27861E-02 ppm1      0.454 ppm2      0.971 CV     1}
 ASSI {  650}
   (  segid "A   " and resid 53   and name HD1%)
   (( segid "A   " and resid 53   and name HG  ))
      2.300     0.600     0.600 {peak   650 spectrum    1 weight  0.10000E+01 volume  0.65706E-02 ppm1      0.453 ppm2      1.153 CV     1}
 ASSI {  651}
   (  segid "A   " and resid 53   and name HD1%)
   (( segid "A   " and resid 53   and name HB1 ))
      3.000     1.100     1.100 {peak   651 spectrum    1 weight  0.10000E+01 volume  0.12988E-02 ppm1      0.453 ppm2      1.565 CV     1}
 ASSI {  652}
   (  segid "A   " and resid 53   and name HD1%)
   (( segid "A   " and resid 54   and name HA  ))
      3.500     1.500     1.500 {peak   652 spectrum    1 weight  0.10000E+01 volume  0.47319E-03 ppm1      0.454 ppm2      4.508 CV     1}
 ASSI {  653}
   (  segid "A   " and resid 53   and name HD1%)
   (( segid "A   " and resid 53   and name HA  ))
      2.800     1.000     1.000 {peak   653 spectrum    1 weight  0.10000E+01 volume  0.19762E-02 ppm1      0.454 ppm2      5.076 CV     1}
 ASSI {  654}
   (  segid "A   " and resid 53   and name HD1%)
   (( segid "A   " and resid 86   and name HA  ))
      3.600     1.600     1.600 {peak   654 spectrum    1 weight  0.10000E+01 volume  0.42480E-03 ppm1      0.454 ppm2      5.293 CV     1}
 ASSI {  655}
   (  segid "A   " and resid 53   and name HD1%)
   (( segid "A   " and resid 87   and name HN  ))
      3.600     1.600     1.600 {peak   655 spectrum    1 weight  0.10000E+01 volume  0.43345E-03 ppm1      0.452 ppm2      8.436 CV     1}
 ASSI {  656}
   (  segid "A   " and resid 53   and name HD1%)
   (( segid "A   " and resid 54   and name HN  ))
      2.700     0.900     0.900 {peak   656 spectrum    1 weight  0.10000E+01 volume  0.22615E-02 ppm1      0.453 ppm2      8.712 CV     1}
 ASSI {  657}
   (  segid "A   " and resid 53   and name HD2%)
   (( segid "A   " and resid 53   and name HB1 ))
      3.100     1.200     1.200 {peak   657 spectrum    1 weight  0.10000E+01 volume  0.10747E-02 ppm1      0.491 ppm2      1.577 CV     1}
 ASSI {  659}
   (  segid "A   " and resid 53   and name HD2%)
   (( segid "A   " and resid 54   and name HA  ))
      4.800     2.800     1.200 {peak   659 spectrum    1 weight  0.10000E+01 volume  0.76402E-04 ppm1      0.488 ppm2      4.475 CV     1}
 ASSI {  661}
   (  segid "A   " and resid 53   and name HD2%)
   (( segid "A   " and resid 53   and name HN  ))
      3.900     1.900     1.900 {peak   661 spectrum    1 weight  0.10000E+01 volume  0.27097E-03 ppm1      0.491 ppm2      9.142 CV     1}
 ASSI {  662}
   (  segid "A   " and resid 53   and name HD2%)
   (( segid "A   " and resid 54   and name HN  ))
      3.800     1.800     1.800 {peak   662 spectrum    1 weight  0.10000E+01 volume  0.31682E-03 ppm1      0.489 ppm2      8.741 CV     1}
 ASSI {  663}
   (( segid "A   " and resid 54   and name HB  ))
   (  segid "A   " and resid 54   and name HG2%)
      2.200     0.600     0.600 {peak   663 spectrum    1 weight  0.10000E+01 volume  0.72837E-02 ppm1      3.815 ppm2      0.208 CV     1}
 ASSI {  664}
   (( segid "A   " and resid 54   and name HB  ))
   (  segid "A   " and resid 53   and name HD2%)
      3.100     3.100     2.900 {peak   664 spectrum    1 weight  0.10000E+01 volume  0.98816E-03 ppm1      3.815 ppm2      0.460 CV     1}
 ASSI {  665}
   (( segid "A   " and resid 54   and name HB  ))
   (( segid "A   " and resid 86   and name HB1 ))
      3.700     1.700     1.700 {peak   665 spectrum    1 weight  0.10000E+01 volume  0.35960E-03 ppm1      3.815 ppm2      0.925 CV     1}
 ASSI {  666}
   (( segid "A   " and resid 54   and name HB  ))
   (( segid "A   " and resid 54   and name HA  ))
      2.500     0.800     0.800 {peak   666 spectrum    1 weight  0.10000E+01 volume  0.35349E-02 ppm1      3.816 ppm2      4.467 CV     1}
 ASSI {  667}
   (( segid "A   " and resid 54   and name HB  ))
   (( segid "A   " and resid 53   and name HA  ))
      3.400     3.400     2.600 {peak   667 spectrum    1 weight  0.10000E+01 volume  0.59084E-03 ppm1      3.815 ppm2      5.091 CV     1}
 ASSI {  668}
   (( segid "A   " and resid 54   and name HB  ))
   (( segid "A   " and resid 86   and name HA  ))
      3.000     1.100     1.100 {peak   668 spectrum    1 weight  0.10000E+01 volume  0.12275E-02 ppm1      3.815 ppm2      5.301 CV     1}
 ASSI {  669}
   (( segid "A   " and resid 54   and name HB  ))
   (( segid "A   " and resid 75   and name HZ2 ))
      4.300     2.300     1.700 {peak   669 spectrum    1 weight  0.10000E+01 volume  0.14262E-03 ppm1      3.810 ppm2      6.879 CV     1}
 ASSI {  671}
   (( segid "A   " and resid 54   and name HB  ))
   (( segid "A   " and resid 54   and name HN  ))
      2.500     0.800     0.800 {peak   671 spectrum    1 weight  0.10000E+01 volume  0.38099E-02 ppm1      3.816 ppm2      8.716 CV     1}
 ASSI {  674}
   (( segid "A   " and resid 54   and name HB  ))
   (( segid "A   " and resid 41   and name HG1 ))
      4.500     2.600     1.500 {peak   674 spectrum    1 weight  0.10000E+01 volume  0.10187E-03 ppm1      3.814 ppm2      1.900 CV     1}
 ASSI {  676}
   (  segid "A   " and resid 54   and name HG2%)
   (( segid "A   " and resid 41   and name HG1 ))
      3.300     1.300     1.300 {peak   676 spectrum    1 weight  0.10000E+01 volume  0.71818E-03 ppm1      0.205 ppm2      1.927 CV     1}
 ASSI {  681}
   (  segid "A   " and resid 54   and name HG2%)
   (( segid "A   " and resid 54   and name HN  ))
      2.800     1.000     1.000 {peak   681 spectrum    1 weight  0.10000E+01 volume  0.17063E-02 ppm1      0.205 ppm2      8.731 CV     1}
 ASSI {  683}
   (  segid "A   " and resid 55   and name HD1%)
   (( segid "A   " and resid 55   and name HB2 ))
      3.300     1.300     1.300 {peak   683 spectrum    1 weight  0.10000E+01 volume  0.72328E-03 ppm1      0.688 ppm2      1.942 CV     1}
 ASSI {  684}
   (  segid "A   " and resid 55   and name HD1%)
   (( segid "A   " and resid 55   and name HG  ))
      3.200     1.300     1.300 {peak   684 spectrum    1 weight  0.10000E+01 volume  0.83024E-03 ppm1      0.688 ppm2      1.162 CV     1}
 ASSI {  685}
   (  segid "A   " and resid 55   and name HD1%)
   (( segid "A   " and resid 55   and name HB1 ))
      2.800     1.000     1.000 {peak   685 spectrum    1 weight  0.10000E+01 volume  0.19304E-02 ppm1      0.688 ppm2      0.942 CV     1}
 ASSI {  686}
   (  segid "A   " and resid 55   and name HD1%)
   (( segid "A   " and resid 60   and name HA  ))
      2.800     1.000     1.000 {peak   686 spectrum    1 weight  0.10000E+01 volume  0.20119E-02 ppm1      0.685 ppm2      4.005 CV     1}
 ASSI {  687}
   (  segid "A   " and resid 55   and name HD1%)
   (( segid "A   " and resid 54   and name HA  ))
      2.700     0.900     0.900 {peak   687 spectrum    1 weight  0.10000E+01 volume  0.21902E-02 ppm1      0.688 ppm2      4.493 CV     1}
 ASSI {  689}
   (  segid "A   " and resid 55   and name HD1%)
   (( segid "A   " and resid 40   and name HN  ))
      2.900     1.100     1.100 {peak   689 spectrum    1 weight  0.10000E+01 volume  0.14313E-02 ppm1      0.689 ppm2      8.693 CV     1}
 ASSI {  690}
   (  segid "A   " and resid 55   and name HD1%)
   (( segid "A   " and resid 61   and name HN  ))
      3.400     1.400     1.400 {peak   690 spectrum    1 weight  0.10000E+01 volume  0.58066E-03 ppm1      0.687 ppm2      9.127 CV     1}
 ASSI {  692}
   (  segid "A   " and resid 55   and name HD2%)
   (  segid "A   " and resid 93   and name HD1%)
      3.100     1.200     1.200 {peak   692 spectrum    1 weight  0.10000E+01 volume  0.11104E-02 ppm1      0.632 ppm2      0.265 CV     1}
 ASSI {  693}
   (  segid "A   " and resid 55   and name HD2%)
   (( segid "A   " and resid 55   and name HB1 ))
      2.900     1.100     1.100 {peak   693 spectrum    1 weight  0.10000E+01 volume  0.14924E-02 ppm1      0.631 ppm2      0.957 CV     1}
 ASSI {  694}
   (  segid "A   " and resid 55   and name HD2%)
   (( segid "A   " and resid 59   and name HB1 ))
      2.900     1.100     1.100 {peak   694 spectrum    1 weight  0.10000E+01 volume  0.13905E-02 ppm1      0.632 ppm2      2.968 CV     1}
 ASSI {  695}
   (  segid "A   " and resid 55   and name HD2%)
   (( segid "A   " and resid 59   and name HB2 ))
      3.100     1.200     1.200 {peak   695 spectrum    1 weight  0.10000E+01 volume  0.94743E-03 ppm1      0.633 ppm2      2.772 CV     1}
 ASSI {  696}
   (  segid "A   " and resid 55   and name HD2%)
   (( segid "A   " and resid 40   and name HN  ))
      2.600     2.600     3.400 {peak   696 spectrum    1 weight  0.10000E+01 volume  0.29389E-02 ppm1      0.631 ppm2      8.670 CV     1}
 ASSI {  697}
   (  segid "A   " and resid 55   and name HD2%)
   (( segid "A   " and resid 55   and name HA  ))
      2.700     0.900     0.900 {peak   697 spectrum    1 weight  0.10000E+01 volume  0.20730E-02 ppm1      0.629 ppm2      4.544 CV     1}
 ASSI {  698}
   (  segid "A   " and resid 55   and name HD2%)
   (( segid "A   " and resid 55   and name HG  ))
      3.800     1.800     1.800 {peak   698 spectrum    1 weight  0.10000E+01 volume  0.30714E-03 ppm1      0.626 ppm2      1.144 CV     1}
 ASSI {  699}
   (( segid "A   " and resid 55   and name HG  ))
   (( segid "A   " and resid 54   and name HA  ))
      3.400     1.400     1.400 {peak   699 spectrum    1 weight  0.10000E+01 volume  0.57556E-03 ppm1      1.175 ppm2      4.491 CV     1}
 ASSI {  701}
   (( segid "A   " and resid 55   and name HG  ))
   (( segid "A   " and resid 54   and name HN  ))
      2.900     2.900     3.100 {peak   701 spectrum    1 weight  0.10000E+01 volume  0.14873E-02 ppm1      1.173 ppm2      8.727 CV     1}
 ASSI {  702}
   (( segid "A   " and resid 53   and name HG  ))
   (  segid "A   " and resid 53   and name HD2%)
      2.400     0.700     0.700 {peak   702 spectrum    1 weight  0.10000E+01 volume  0.44670E-02 ppm1      1.173 ppm2      0.491 CV     1}
 ASSI {  703}
   (( segid "A   " and resid 53   and name HG  ))
   (  segid "A   " and resid 55   and name HD2%)
      2.500     2.500     3.500 {peak   703 spectrum    1 weight  0.10000E+01 volume  0.33566E-02 ppm1      1.174 ppm2      0.661 CV     1}
 ASSI {  704}
   (( segid "A   " and resid 55   and name HG  ))
   (( segid "A   " and resid 55   and name HB2 ))
      3.300     1.400     1.400 {peak   704 spectrum    1 weight  0.10000E+01 volume  0.65197E-03 ppm1      1.174 ppm2      1.944 CV     1}
 ASSI {  705}
   (( segid "A   " and resid 55   and name HG  ))
   (( segid "A   " and resid 61   and name HN  ))
      5.300     3.500     0.700 {peak   705 spectrum    1 weight  0.10000E+01 volume  0.42072E-04 ppm1      1.180 ppm2      9.162 CV     1}
 ASSI {  706}
   (( segid "A   " and resid 56   and name HA  ))
   (  segid "A   " and resid 39   and name HG2%)
      2.500     0.800     0.800 {peak   706 spectrum    1 weight  0.10000E+01 volume  0.33464E-02 ppm1      5.038 ppm2      0.025 CV     1}
 ASSI {  707}
   (( segid "A   " and resid 56   and name HA  ))
   (( segid "A   " and resid 39   and name HB  ))
      3.200     1.300     1.300 {peak   707 spectrum    1 weight  0.10000E+01 volume  0.79459E-03 ppm1      5.042 ppm2      1.179 CV     1}
 ASSI {  708}
   (( segid "A   " and resid 56   and name HA  ))
   (( segid "A   " and resid 56   and name HB2 ))
      2.400     0.700     0.700 {peak   708 spectrum    1 weight  0.10000E+01 volume  0.46962E-02 ppm1      5.035 ppm2      3.486 CV     1}
 ASSI {  710}
   (( segid "A   " and resid 56   and name HA  ))
   (( segid "A   " and resid 56   and name HE3 ))
      2.800     1.000     1.000 {peak   710 spectrum    1 weight  0.10000E+01 volume  0.19661E-02 ppm1      5.039 ppm2      7.482 CV     1}
 ASSI {  711}
   (( segid "A   " and resid 56   and name HA  ))
   (( segid "A   " and resid 56   and name HN  ))
      3.000     1.100     1.100 {peak   711 spectrum    1 weight  0.10000E+01 volume  0.13243E-02 ppm1      5.037 ppm2      8.602 CV     1}
 ASSI {  714}
   (( segid "A   " and resid 56   and name HB1 ))
   (( segid "A   " and resid 56   and name HA  ))
      3.100     1.200     1.200 {peak   714 spectrum    1 weight  0.10000E+01 volume  0.10900E-02 ppm1      3.523 ppm2      5.041 CV     1}
 ASSI {  715}
   (( segid "A   " and resid 56   and name HB1 ))
   (( segid "A   " and resid 88   and name HA1 ))
      3.200     1.200     1.200 {peak   715 spectrum    1 weight  0.10000E+01 volume  0.90664E-03 ppm1      3.526 ppm2      5.225 CV     1}
 ASSI {  716}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 88   and name HA1 ))
      3.000     1.100     1.100 {peak   716 spectrum    1 weight  0.10000E+01 volume  0.12988E-02 ppm1      3.456 ppm2      5.208 CV     1}
 ASSI {  717}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 88   and name HA2 ))
      5.800     4.200     0.200 {peak   717 spectrum    1 weight  0.10000E+01 volume  0.23735E-04 ppm1      3.453 ppm2      4.411 CV     1}
 ASSI {  718}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 56   and name HD1 ))
      3.700     1.700     1.700 {peak   718 spectrum    1 weight  0.10000E+01 volume  0.34075E-03 ppm1      3.453 ppm2      6.905 CV     1}
 ASSI {  720}
   (( segid "A   " and resid 56   and name HB1 ))
   (( segid "A   " and resid 56   and name HE3 ))
      3.000     1.100     1.100 {peak   720 spectrum    1 weight  0.10000E+01 volume  0.12377E-02 ppm1      3.524 ppm2      7.487 CV     1}
 ASSI {  721}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 56   and name HE3 ))
      3.200     1.300     1.300 {peak   721 spectrum    1 weight  0.10000E+01 volume  0.78440E-03 ppm1      3.466 ppm2      7.484 CV     1}
 ASSI {  722}
   (( segid "A   " and resid 56   and name HB1 ))
   (( segid "A   " and resid 56   and name HN  ))
      3.100     1.200     1.200 {peak   722 spectrum    1 weight  0.10000E+01 volume  0.10595E-02 ppm1      3.526 ppm2      8.597 CV     1}
 ASSI {  724}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 57   and name HN  ))
      4.600     2.600     1.400 {peak   724 spectrum    1 weight  0.10000E+01 volume  0.97791E-04 ppm1      3.446 ppm2      9.249 CV     1}
 ASSI {  725}
   (( segid "A   " and resid 56   and name HB1 ))
   (( segid "A   " and resid 57   and name HN  ))
      3.800     1.800     1.800 {peak   725 spectrum    1 weight  0.10000E+01 volume  0.29796E-03 ppm1      3.539 ppm2      9.277 CV     1}
 ASSI {  726}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 57   and name HA1 ))
      3.200     3.200     2.800 {peak   726 spectrum    1 weight  0.10000E+01 volume  0.83024E-03 ppm1      3.465 ppm2      3.848 CV     1}
 ASSI {  729}
   (( segid "A   " and resid 57   and name HA1 ))
   (  segid "A   " and resid 60   and name HB% )
      3.400     1.500     1.500 {peak   729 spectrum    1 weight  0.10000E+01 volume  0.56028E-03 ppm1      3.911 ppm2      1.129 CV     1}
 ASSI {  730}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 59   and name HN  ))
      3.300     1.400     1.400 {peak   730 spectrum    1 weight  0.10000E+01 volume  0.64178E-03 ppm1      4.104 ppm2      7.333 CV     1}
 ASSI {  731}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 60   and name HN  ))
      4.100     2.100     1.900 {peak   731 spectrum    1 weight  0.10000E+01 volume  0.17929E-03 ppm1      4.102 ppm2      7.799 CV     1}
 ASSI {  732}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 58   and name HB1 ))
      2.100     0.600     0.600 {peak   732 spectrum    1 weight  0.10000E+01 volume  0.98308E-02 ppm1      4.104 ppm2      1.744 CV     1}
 ASSI {  733}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 58   and name HG2 ))
      3.400     1.400     1.400 {peak   733 spectrum    1 weight  0.10000E+01 volume  0.60103E-03 ppm1      4.104 ppm2      1.238 CV     1}
 ASSI {  734}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 58   and name HG1 ))
      4.000     2.000     2.000 {peak   734 spectrum    1 weight  0.10000E+01 volume  0.22411E-03 ppm1      4.102 ppm2      0.875 CV     1}
 ASSI {  735}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 58   and name HE1 ))
      3.600     1.600     1.600 {peak   735 spectrum    1 weight  0.10000E+01 volume  0.41308E-03 ppm1      4.096 ppm2      2.870 CV     1}
 OR {  735}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 58   and name HE2 ))
 ASSI {  736}
   (( segid "A   " and resid 59   and name HB1 ))
   (( segid "A   " and resid 59   and name HN  ))
      3.700     1.700     1.700 {peak   736 spectrum    1 weight  0.10000E+01 volume  0.37743E-03 ppm1      2.968 ppm2      7.354 CV     1}
 ASSI {  739}
   (( segid "A   " and resid 59   and name HB2 ))
   (( segid "A   " and resid 59   and name HN  ))
      3.500     1.500     1.500 {peak   739 spectrum    1 weight  0.10000E+01 volume  0.51444E-03 ppm1      2.793 ppm2      7.354 CV     1}
 ASSI {  740}
   (( segid "A   " and resid 59   and name HB2 ))
   (( segid "A   " and resid 60   and name HN  ))
      3.800     1.800     1.800 {peak   740 spectrum    1 weight  0.10000E+01 volume  0.31783E-03 ppm1      2.798 ppm2      7.812 CV     1}
 ASSI {  741}
   (( segid "A   " and resid 59   and name HB1 ))
   (( segid "A   " and resid 55   and name HA  ))
      3.100     1.200     1.200 {peak   741 spectrum    1 weight  0.10000E+01 volume  0.10340E-02 ppm1      2.964 ppm2      4.575 CV     1}
 ASSI {  742}
   (( segid "A   " and resid 59   and name HB2 ))
   (( segid "A   " and resid 55   and name HA  ))
      3.200     1.300     1.300 {peak   742 spectrum    1 weight  0.10000E+01 volume  0.83024E-03 ppm1      2.792 ppm2      4.578 CV     1}
 ASSI {  743}
   (( segid "A   " and resid 59   and name HB1 ))
   (( segid "A   " and resid 60   and name HA  ))
      4.300     2.300     1.700 {peak   743 spectrum    1 weight  0.10000E+01 volume  0.13753E-03 ppm1      2.959 ppm2      4.007 CV     1}
 ASSI {  744}
   (( segid "A   " and resid 59   and name HB1 ))
   (( segid "A   " and resid 55   and name HB1 ))
      3.100     1.200     1.200 {peak   744 spectrum    1 weight  0.10000E+01 volume  0.10034E-02 ppm1      2.963 ppm2      0.968 CV     1}
 ASSI {  745}
   (( segid "A   " and resid 59   and name HB2 ))
   (( segid "A   " and resid 55   and name HB1 ))
      3.000     1.100     1.100 {peak   745 spectrum    1 weight  0.10000E+01 volume  0.11511E-02 ppm1      2.803 ppm2      0.963 CV     1}
 ASSI {  747}
   (( segid "A   " and resid 59   and name HB1 ))
   (( segid "A   " and resid 55   and name HG  ))
      4.000     2.000     2.000 {peak   747 spectrum    1 weight  0.10000E+01 volume  0.22462E-03 ppm1      2.960 ppm2      1.159 CV     1}
 ASSI {  748}
   (( segid "A   " and resid 59   and name HB1 ))
   (  segid "A   " and resid 93   and name HD1%)
      3.500     1.500     1.500 {peak   748 spectrum    1 weight  0.10000E+01 volume  0.47828E-03 ppm1      2.966 ppm2      0.266 CV     1}
 ASSI {  752}
   (  segid "A   " and resid 55   and name HD2%)
   (( segid "A   " and resid 55   and name HB2 ))
      4.200     2.200     1.800 {peak   752 spectrum    1 weight  0.10000E+01 volume  0.17267E-03 ppm1      0.634 ppm2      1.943 CV     1}
 ASSI {  753}
   (  segid "A   " and resid 21   and name HG2%)
   (( segid "A   " and resid 66   and name HA2 ))
      3.200     1.300     1.300 {peak   753 spectrum    1 weight  0.10000E+01 volume  0.77930E-03 ppm1      0.798 ppm2      4.476 CV     1}
 ASSI {  754}
   (( segid "A   " and resid 17   and name HA  ))
   (( segid "A   " and resid 17   and name HB  ))
      2.200     0.600     0.600 {peak   754 spectrum    1 weight  0.10000E+01 volume  0.83533E-02 ppm1      4.975 ppm2      2.154 CV     1}
 ASSI {  757}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 53   and name HN  ))
      3.600     1.600     1.600 {peak   757 spectrum    1 weight  0.10000E+01 volume  0.44110E-03 ppm1      4.804 ppm2      9.159 CV     1}
 ASSI {  758}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 24   and name HA  ))
      2.000     0.500     0.500 {peak   758 spectrum    1 weight  0.10000E+01 volume  0.13599E-01 ppm1      5.108 ppm2      4.888 CV     1}
 ASSI {  761}
   (  segid "A   " and resid 55   and name HD1%)
   (( segid "A   " and resid 59   and name HB2 ))
      3.700     1.700     1.700 {peak   761 spectrum    1 weight  0.10000E+01 volume  0.34534E-03 ppm1      0.680 ppm2      2.817 CV     1}
 ASSI {  763}
   (( segid "A   " and resid 56   and name HA  ))
   (( segid "A   " and resid 57   and name HA1 ))
      2.700     2.700     3.300 {peak   763 spectrum    1 weight  0.10000E+01 volume  0.24754E-02 ppm1      5.033 ppm2      3.898 CV     1}
 ASSI {  766}
   (( segid "A   " and resid 60   and name HA  ))
   (( segid "A   " and resid 55   and name HB2 ))
      2.800     1.000     1.000 {peak   766 spectrum    1 weight  0.10000E+01 volume  0.17776E-02 ppm1      3.980 ppm2      1.934 CV     1}
 ASSI {  767}
   (( segid "A   " and resid 60   and name HA  ))
   (  segid "A   " and resid 60   and name HB% )
      2.100     0.500     0.500 {peak   767 spectrum    1 weight  0.10000E+01 volume  0.11562E-01 ppm1      3.982 ppm2      1.190 CV     1}
 ASSI {  768}
   (( segid "A   " and resid 60   and name HA  ))
   (( segid "A   " and resid 55   and name HB1 ))
      2.800     1.000     1.000 {peak   768 spectrum    1 weight  0.10000E+01 volume  0.17521E-02 ppm1      3.978 ppm2      0.974 CV     1}
 ASSI {  769}
   (( segid "A   " and resid 60   and name HA  ))
   (( segid "A   " and resid 40   and name HB2 ))
      3.600     1.700     1.700 {peak   769 spectrum    1 weight  0.10000E+01 volume  0.38507E-03 ppm1      3.978 ppm2      3.335 CV     1}
 ASSI {  770}
   (( segid "A   " and resid 60   and name HA  ))
   (( segid "A   " and resid 60   and name HN  ))
      2.900     1.000     1.000 {peak   770 spectrum    1 weight  0.10000E+01 volume  0.15943E-02 ppm1      3.967 ppm2      7.785 CV     1}
 ASSI {  771}
   (( segid "A   " and resid 60   and name HA  ))
   (( segid "A   " and resid 40   and name HN  ))
      2.800     1.000     1.000 {peak   771 spectrum    1 weight  0.10000E+01 volume  0.17929E-02 ppm1      3.980 ppm2      8.695 CV     1}
 ASSI {  772}
   (( segid "A   " and resid 60   and name HA  ))
   (( segid "A   " and resid 61   and name HN  ))
      2.400     0.700     0.700 {peak   772 spectrum    1 weight  0.10000E+01 volume  0.44466E-02 ppm1      3.980 ppm2      9.128 CV     1}
 ASSI {  774}
   (  segid "A   " and resid 60   and name HB% )
   (  segid "A   " and resid 39   and name HG2%)
      3.100     1.200     1.200 {peak   774 spectrum    1 weight  0.10000E+01 volume  0.10034E-02 ppm1      1.181 ppm2      0.029 CV     1}
 ASSI {  775}
   (( segid "A   " and resid 62   and name HA  ))
   (( segid "A   " and resid 62   and name HB2 ))
      1.900     0.500     0.500 {peak   775 spectrum    1 weight  0.10000E+01 volume  0.16910E-01 ppm1      4.260 ppm2      3.762 CV     1}
 ASSI {  776}
   (( segid "A   " and resid 62   and name HA  ))
   (  segid "A   " and resid 63   and name HG2%)
      2.600     2.600     3.400 {peak   776 spectrum    1 weight  0.10000E+01 volume  0.29135E-02 ppm1      4.268 ppm2      0.658 CV     1}
 ASSI {  777}
   (( segid "A   " and resid 62   and name HA  ))
   (( segid "A   " and resid 63   and name HN  ))
      2.900     1.100     1.100 {peak   777 spectrum    1 weight  0.10000E+01 volume  0.14007E-02 ppm1      4.260 ppm2      7.042 CV     1}
 ASSI {  778}
   (( segid "A   " and resid 62   and name HA  ))
   (( segid "A   " and resid 62   and name HN  ))
      2.700     0.900     0.900 {peak   778 spectrum    1 weight  0.10000E+01 volume  0.21036E-02 ppm1      4.262 ppm2      7.651 CV     1}
 ASSI {  779}
   (( segid "A   " and resid 62   and name HB2 ))
   (( segid "A   " and resid 62   and name HB1 ))
      2.700     0.900     0.900 {peak   779 spectrum    1 weight  0.10000E+01 volume  0.25009E-02 ppm1      3.752 ppm2      4.044 CV     1}
 ASSI {  782}
   (( segid "A   " and resid 62   and name HB2 ))
   (  segid "A   " and resid 55   and name HD1%)
      4.400     2.400     1.600 {peak   782 spectrum    1 weight  0.10000E+01 volume  0.13040E-03 ppm1      3.742 ppm2      0.681 CV     1}
 ASSI {  784}
   (( segid "A   " and resid 17   and name HA  ))
   (( segid "A   " and resid 18   and name HN  ))
      1.900     0.500     0.500 {peak   784 spectrum    1 weight  0.10000E+01 volume  0.18998E-01 ppm1      4.971 ppm2      8.340 CV     1}
 ASSI {  785}
   (( segid "A   " and resid 63   and name HB  ))
   (( segid "A   " and resid 21   and name HB  ))
      4.900     3.000     1.100 {peak   785 spectrum    1 weight  0.10000E+01 volume  0.63668E-04 ppm1      1.761 ppm2      2.406 CV     1}
 ASSI {  788}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "A   " and resid 64   and name HA  ))
      2.400     0.700     0.700 {peak   788 spectrum    1 weight  0.10000E+01 volume  0.43040E-02 ppm1      1.738 ppm2      4.522 CV     1}
 ASSI {  789}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "A   " and resid 65   and name HN  ))
      2.700     0.900     0.900 {peak   789 spectrum    1 weight  0.10000E+01 volume  0.23125E-02 ppm1      1.739 ppm2      8.561 CV     1}
 ASSI {  790}
   (( segid "A   " and resid 65   and name HA  ))
   (  segid "A   " and resid 21   and name HG1%)
      2.100     0.500     0.500 {peak   790 spectrum    1 weight  0.10000E+01 volume  0.10646E-01 ppm1      3.446 ppm2      0.594 CV     1}
 ASSI {  791}
   (( segid "A   " and resid 65   and name HA  ))
   (  segid "A   " and resid 21   and name HG2%)
      2.700     0.900     0.900 {peak   791 spectrum    1 weight  0.10000E+01 volume  0.22615E-02 ppm1      3.445 ppm2      0.779 CV     1}
 ASSI {  792}
   (( segid "A   " and resid 65   and name HA  ))
   (  segid "A   " and resid 24   and name HB% )
      3.100     1.200     1.200 {peak   792 spectrum    1 weight  0.10000E+01 volume  0.10747E-02 ppm1      3.449 ppm2      1.264 CV     1}
 ASSI {  793}
   (( segid "A   " and resid 65   and name HA  ))
   (( segid "A   " and resid 65   and name HB1 ))
      2.200     0.600     0.600 {peak   793 spectrum    1 weight  0.10000E+01 volume  0.78440E-02 ppm1      3.446 ppm2      1.916 CV     1}
 ASSI {  794}
   (( segid "A   " and resid 65   and name HA  ))
   (( segid "A   " and resid 21   and name HB  ))
      3.000     1.100     1.100 {peak   794 spectrum    1 weight  0.10000E+01 volume  0.13396E-02 ppm1      3.445 ppm2      2.424 CV     1}
 ASSI {  795}
   (( segid "A   " and resid 65   and name HA  ))
   (( segid "A   " and resid 65   and name HG2 ))
      3.600     1.600     1.600 {peak   795 spectrum    1 weight  0.10000E+01 volume  0.40748E-03 ppm1      3.446 ppm2      2.153 CV     1}
 ASSI {  796}
   (( segid "A   " and resid 65   and name HA  ))
   (( segid "A   " and resid 66   and name HA1 ))
      2.600     2.600     3.400 {peak   796 spectrum    1 weight  0.10000E+01 volume  0.28422E-02 ppm1      3.446 ppm2      3.670 CV     1}
 ASSI {  797}
   (( segid "A   " and resid 65   and name HA  ))
   (( segid "A   " and resid 23   and name HA  ))
      3.000     3.000     3.000 {peak   797 spectrum    1 weight  0.10000E+01 volume  0.11970E-02 ppm1      3.447 ppm2      4.518 CV     1}
 ASSI {  798}
   (( segid "A   " and resid 65   and name HA  ))
   (( segid "A   " and resid 65   and name HN  ))
      2.400     0.700     0.700 {peak   798 spectrum    1 weight  0.10000E+01 volume  0.42581E-02 ppm1      3.446 ppm2      8.559 CV     1}
 ASSI {  800}
   (( segid "A   " and resid 65   and name HA  ))
   (( segid "A   " and resid 22   and name HN  ))
      3.400     3.400     2.600 {peak   800 spectrum    1 weight  0.10000E+01 volume  0.60613E-03 ppm1      3.444 ppm2      9.248 CV     1}
 ASSI {  801}
   (( segid "A   " and resid 66   and name HA1 ))
   (( segid "A   " and resid 66   and name HA2 ))
      2.100     0.600     0.600 {peak   801 spectrum    1 weight  0.10000E+01 volume  0.10492E-01 ppm1      3.686 ppm2      4.481 CV     1}
 ASSI {  804}
   (( segid "A   " and resid 68   and name HA  ))
   (  segid "A   " and resid 68   and name HG2%)
      2.800     1.000     1.000 {peak   804 spectrum    1 weight  0.10000E+01 volume  0.18490E-02 ppm1      4.680 ppm2     -0.055 CV     1}
 ASSI {  806}
   (  segid "A   " and resid 68   and name HG1%)
   (( segid "A   " and resid 68   and name HA  ))
      2.400     0.700     0.700 {peak   806 spectrum    1 weight  0.10000E+01 volume  0.42225E-02 ppm1      0.663 ppm2      4.679 CV     1}
 ASSI {  807}
   (  segid "A   " and resid 68   and name HG1%)
   (( segid "A   " and resid 101  and name HB2 ))
      4.900     3.000     1.100 {peak   807 spectrum    1 weight  0.10000E+01 volume  0.62140E-04 ppm1      0.665 ppm2      2.982 CV     1}
 OR {  807}
   (  segid "A   " and resid 68   and name HG1%)
   (( segid "A   " and resid 101  and name HB1 ))
 ASSI {  808}
   (  segid "A   " and resid 68   and name HG1%)
   (  segid "A   " and resid 68   and name HG2%)
      2.600     0.900     0.900 {peak   808 spectrum    1 weight  0.10000E+01 volume  0.27199E-02 ppm1      0.664 ppm2     -0.067 CV     1}
 ASSI {  809}
   (  segid "A   " and resid 68   and name HG1%)
   (  segid "A   " and resid 101  and name HD% )
      3.700     1.800     1.800 {peak   809 spectrum    1 weight  0.10000E+01 volume  0.32241E-03 ppm1      0.670 ppm2      7.417 CV     1}
 ASSI {  811}
   (( segid "A   " and resid 70   and name HA  ))
   (  segid "A   " and resid 71   and name HG2%)
      3.400     3.400     2.600 {peak   811 spectrum    1 weight  0.10000E+01 volume  0.63159E-03 ppm1      4.860 ppm2      0.610 CV     1}
 ASSI {  812}
   (( segid "A   " and resid 70   and name HA  ))
   (  segid "A   " and resid 96   and name HB% )
      3.300     1.300     1.300 {peak   812 spectrum    1 weight  0.10000E+01 volume  0.73346E-03 ppm1      4.863 ppm2      1.113 CV     1}
 ASSI {  813}
   (( segid "A   " and resid 70   and name HA  ))
   (( segid "A   " and resid 70   and name HG2 ))
      2.800     1.000     1.000 {peak   813 spectrum    1 weight  0.10000E+01 volume  0.17776E-02 ppm1      4.860 ppm2      1.364 CV     1}
 OR {  813}
   (( segid "A   " and resid 70   and name HA  ))
   (( segid "A   " and resid 70   and name HG1 ))
 ASSI {  814}
   (( segid "A   " and resid 70   and name HA  ))
   (( segid "A   " and resid 70   and name HB2 ))
      1.700     1.700     4.300 {peak   814 spectrum    1 weight  0.10000E+01 volume  0.43651E-01 ppm1      4.859 ppm2      1.541 CV     1}
 ASSI {  815}
   (( segid "A   " and resid 92   and name HA  ))
   (( segid "A   " and resid 92   and name HB1 ))
      2.200     0.600     0.600 {peak   815 spectrum    1 weight  0.10000E+01 volume  0.75383E-02 ppm1      4.867 ppm2      1.798 CV     1}
 ASSI {  816}
   (( segid "A   " and resid 70   and name HA  ))
   (  segid "A   " and resid 18   and name HG2%)
      2.700     0.900     0.900 {peak   816 spectrum    1 weight  0.10000E+01 volume  0.20730E-02 ppm1      4.856 ppm2      0.774 CV     1}
 ASSI {  819}
   (( segid "A   " and resid 92   and name HA  ))
   (( segid "A   " and resid 93   and name HN  ))
      1.800     0.400     0.400 {peak   819 spectrum    1 weight  0.10000E+01 volume  0.25874E-01 ppm1      4.870 ppm2      8.386 CV     1}
 ASSI {  820}
   (( segid "A   " and resid 70   and name HA  ))
   (( segid "A   " and resid 71   and name HN  ))
      2.000     0.500     0.500 {peak   820 spectrum    1 weight  0.10000E+01 volume  0.12224E-01 ppm1      4.858 ppm2      9.069 CV     1}
 ASSI {  822}
   (( segid "A   " and resid 72   and name HA  ))
   (( segid "A   " and resid 72   and name HB2 ))
      1.700     1.700     4.300 {peak   822 spectrum    1 weight  0.10000E+01 volume  0.39118E-01 ppm1      4.994 ppm2      2.002 CV     1}
 ASSI {  823}
   (( segid "A   " and resid 72   and name HA  ))
   (( segid "A   " and resid 16   and name HA  ))
      2.400     0.700     0.700 {peak   823 spectrum    1 weight  0.10000E+01 volume  0.46809E-02 ppm1      4.992 ppm2      5.976 CV     1}
 ASSI {  826}
   (( segid "A   " and resid 72   and name HG1 ))
   (( segid "A   " and resid 72   and name HN  ))
      3.400     1.400     1.400 {peak   826 spectrum    1 weight  0.10000E+01 volume  0.58575E-03 ppm1      2.037 ppm2      9.184 CV     1}
 ASSI {  827}
   (( segid "A   " and resid 73   and name HB2 ))
   (( segid "A   " and resid 92   and name HN  ))
      3.800     1.800     1.800 {peak   827 spectrum    1 weight  0.10000E+01 volume  0.30612E-03 ppm1      3.784 ppm2      9.141 CV     1}
 ASSI {  829}
   (( segid "A   " and resid 73   and name HB2 ))
   (( segid "A   " and resid 73   and name HD21))
      4.100     2.100     1.900 {peak   829 spectrum    1 weight  0.10000E+01 volume  0.18030E-03 ppm1      3.766 ppm2      6.941 CV     1}
 ASSI {  830}
   (( segid "A   " and resid 73   and name HB2 ))
   (( segid "A   " and resid 73   and name HD22))
      3.700     1.700     1.700 {peak   830 spectrum    1 weight  0.10000E+01 volume  0.34891E-03 ppm1      3.769 ppm2      7.244 CV     1}
 ASSI {  832}
   (( segid "A   " and resid 73   and name HB2 ))
   (( segid "A   " and resid 73   and name HA  ))
      3.000     1.100     1.100 {peak   832 spectrum    1 weight  0.10000E+01 volume  0.13549E-02 ppm1      3.777 ppm2      4.390 CV     1}
 ASSI {  833}
   (( segid "A   " and resid 73   and name HB2 ))
   (( segid "A   " and resid 73   and name HB1 ))
      2.000     0.500     0.500 {peak   833 spectrum    1 weight  0.10000E+01 volume  0.14466E-01 ppm1      3.780 ppm2      2.859 CV     1}
 ASSI {  834}
   (( segid "A   " and resid 73   and name HB2 ))
   (( segid "A   " and resid 72   and name HB2 ))
      3.800     1.800     1.800 {peak   834 spectrum    1 weight  0.10000E+01 volume  0.31325E-03 ppm1      3.782 ppm2      1.981 CV     1}
 ASSI {  835}
   (( segid "A   " and resid 73   and name HB2 ))
   (  segid "A   " and resid 91   and name HG2%)
      4.100     2.100     1.900 {peak   835 spectrum    1 weight  0.10000E+01 volume  0.19203E-03 ppm1      3.776 ppm2      1.128 CV     1}
 ASSI {  836}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 75   and name HN  ))
      2.600     0.800     0.800 {peak   836 spectrum    1 weight  0.10000E+01 volume  0.30509E-02 ppm1      4.882 ppm2      7.939 CV     1}
 ASSI {  838}
   (  segid "A   " and resid 78   and name HB% )
   (( segid "A   " and resid 77   and name HA  ))
      2.000     2.000     4.000 {peak   838 spectrum    1 weight  0.10000E+01 volume  0.13243E-01 ppm1      1.278 ppm2      4.875 CV     1}
 ASSI {  840}
   (  segid "A   " and resid 74   and name HB% )
   (( segid "A   " and resid 86   and name HN  ))
      3.400     1.400     1.400 {peak   840 spectrum    1 weight  0.10000E+01 volume  0.58575E-03 ppm1      1.281 ppm2      8.205 CV     1}
 ASSI {  842}
   (  segid "A   " and resid 74   and name HB% )
   (( segid "A   " and resid 74   and name HN  ))
      2.400     0.700     0.700 {peak   842 spectrum    1 weight  0.10000E+01 volume  0.48693E-02 ppm1      1.279 ppm2      8.967 CV     1}
 ASSI {  843}
   (( segid "A   " and resid 75   and name HA  ))
   (  segid "A   " and resid 15   and name HG1%)
      3.600     1.600     1.600 {peak   843 spectrum    1 weight  0.10000E+01 volume  0.43702E-03 ppm1      5.489 ppm2      0.839 CV     1}
 ASSI {  844}
   (( segid "A   " and resid 75   and name HA  ))
   (  segid "A   " and resid 76   and name HG2%)
      3.000     1.100     1.100 {peak   844 spectrum    1 weight  0.10000E+01 volume  0.12836E-02 ppm1      5.489 ppm2      1.137 CV     1}
 ASSI {  845}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 15   and name HB  ))
      4.500     2.500     1.500 {peak   845 spectrum    1 weight  0.10000E+01 volume  0.10747E-03 ppm1      5.486 ppm2      1.779 CV     1}
 ASSI {  846}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 12   and name HB1 ))
      3.400     1.500     1.500 {peak   846 spectrum    1 weight  0.10000E+01 volume  0.53991E-03 ppm1      5.488 ppm2      2.027 CV     1}
 ASSI {  847}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 75   and name HB1 ))
      2.300     0.600     0.600 {peak   847 spectrum    1 weight  0.10000E+01 volume  0.68252E-02 ppm1      5.489 ppm2      3.330 CV     1}
 ASSI {  848}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 75   and name HB2 ))
      2.300     0.700     0.700 {peak   848 spectrum    1 weight  0.10000E+01 volume  0.61631E-02 ppm1      5.489 ppm2      3.739 CV     1}
 ASSI {  850}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 75   and name HE3 ))
      3.500     1.500     1.500 {peak   850 spectrum    1 weight  0.10000E+01 volume  0.47216E-03 ppm1      5.484 ppm2      7.346 CV     1}
 ASSI {  851}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 75   and name HN  ))
      2.800     1.000     1.000 {peak   851 spectrum    1 weight  0.10000E+01 volume  0.17267E-02 ppm1      5.489 ppm2      7.932 CV     1}
 ASSI {  854}
   (( segid "A   " and resid 75   and name HB2 ))
   (( segid "A   " and resid 13   and name HB2 ))
      5.500     3.700     0.500 {peak   854 spectrum    1 weight  0.10000E+01 volume  0.33668E-04 ppm1      3.755 ppm2      2.045 CV     1}
 OR {  854}
   (( segid "A   " and resid 75   and name HB2 ))
   (( segid "A   " and resid 13   and name HB1 ))
 ASSI {  855}
   (( segid "A   " and resid 75   and name HB2 ))
   (( segid "A   " and resid 75   and name HB1 ))
      2.400     0.700     0.700 {peak   855 spectrum    1 weight  0.10000E+01 volume  0.45434E-02 ppm1      3.741 ppm2      3.332 CV     1}
 ASSI {  856}
   (( segid "A   " and resid 75   and name HB2 ))
   (( segid "A   " and resid 13   and name HA  ))
      3.100     1.200     1.200 {peak   856 spectrum    1 weight  0.10000E+01 volume  0.11104E-02 ppm1      3.743 ppm2      4.493 CV     1}
 ASSI {  859}
   (( segid "A   " and resid 75   and name HB2 ))
   (( segid "A   " and resid 75   and name HE3 ))
      3.600     1.600     1.600 {peak   859 spectrum    1 weight  0.10000E+01 volume  0.43345E-03 ppm1      3.748 ppm2      7.373 CV     1}
 ASSI {  860}
   (( segid "A   " and resid 75   and name HB2 ))
   (( segid "A   " and resid 14   and name HN  ))
      3.800     1.900     1.900 {peak   860 spectrum    1 weight  0.10000E+01 volume  0.27505E-03 ppm1      3.739 ppm2      7.904 CV     1}
 ASSI {  862}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 76   and name HB  ))
      2.500     0.800     0.800 {peak   862 spectrum    1 weight  0.10000E+01 volume  0.33566E-02 ppm1      5.818 ppm2      4.378 CV     1}
 ASSI {  863}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 85   and name HA  ))
      3.100     1.200     1.200 {peak   863 spectrum    1 weight  0.10000E+01 volume  0.99324E-03 ppm1      5.818 ppm2      4.561 CV     1}
 ASSI {  864}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 84   and name HG2 ))
      3.500     3.500     2.500 {peak   864 spectrum    1 weight  0.10000E+01 volume  0.48439E-03 ppm1      5.818 ppm2      2.093 CV     1}
 OR {  864}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 84   and name HG1 ))
 ASSI {  865}
   (( segid "A   " and resid 76   and name HA  ))
   (  segid "A   " and resid 77   and name HG2%)
      3.200     1.300     1.300 {peak   865 spectrum    1 weight  0.10000E+01 volume  0.75893E-03 ppm1      5.818 ppm2      1.484 CV     1}
 ASSI {  866}
   (( segid "A   " and resid 76   and name HA  ))
   (  segid "A   " and resid 76   and name HG2%)
      2.200     0.600     0.600 {peak   866 spectrum    1 weight  0.10000E+01 volume  0.86589E-02 ppm1      5.818 ppm2      1.133 CV     1}
 ASSI {  867}
   (( segid "A   " and resid 76   and name HA  ))
   (  segid "A   " and resid 83   and name HG1%)
      2.500     2.500     3.500 {peak   867 spectrum    1 weight  0.10000E+01 volume  0.39271E-02 ppm1      5.819 ppm2      0.676 CV     1}
 OR {  867}
   (( segid "A   " and resid 76   and name HA  ))
   (  segid "A   " and resid 83   and name HG2%)
 ASSI {  868}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 84   and name HB1 ))
      4.800     2.900     1.200 {peak   868 spectrum    1 weight  0.10000E+01 volume  0.73855E-04 ppm1      5.815 ppm2      1.821 CV     1}
 ASSI {  869}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 77   and name HA  ))
      3.800     1.800     1.800 {peak   869 spectrum    1 weight  0.10000E+01 volume  0.28116E-03 ppm1      5.817 ppm2      4.896 CV     1}
 ASSI {  870}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 86   and name HD22))
      3.300     1.400     1.400 {peak   870 spectrum    1 weight  0.10000E+01 volume  0.64687E-03 ppm1      5.816 ppm2      6.733 CV     1}
 ASSI {  871}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 86   and name HN  ))
      3.300     1.300     1.300 {peak   871 spectrum    1 weight  0.10000E+01 volume  0.74364E-03 ppm1      5.821 ppm2      8.193 CV     1}
 ASSI {  872}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 77   and name HN  ))
      2.200     0.600     0.600 {peak   872 spectrum    1 weight  0.10000E+01 volume  0.69271E-02 ppm1      5.818 ppm2      8.768 CV     1}
 ASSI {  873}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 76   and name HN  ))
      3.000     1.100     1.100 {peak   873 spectrum    1 weight  0.10000E+01 volume  0.11868E-02 ppm1      5.821 ppm2      9.046 CV     1}
 ASSI {  874}
   (  segid "A   " and resid 76   and name HG2%)
   (  segid "A   " and resid 8    and name HD1%)
      2.100     0.600     0.600 {peak   874 spectrum    1 weight  0.10000E+01 volume  0.98308E-02 ppm1      1.126 ppm2      0.657 CV     1}
 ASSI {  876}
   (  segid "A   " and resid 91   and name HG2%)
   (( segid "A   " and resid 91   and name HA  ))
      2.100     0.500     0.500 {peak   876 spectrum    1 weight  0.10000E+01 volume  0.10900E-01 ppm1      1.124 ppm2      4.903 CV     1}
 ASSI {  879}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 78   and name HN  ))
      2.100     0.500     0.500 {peak   879 spectrum    1 weight  0.10000E+01 volume  0.10646E-01 ppm1      4.854 ppm2      8.517 CV     1}
 ASSI {  881}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 77   and name HB  ))
      2.900     1.100     1.100 {peak   881 spectrum    1 weight  0.10000E+01 volume  0.13599E-02 ppm1      4.855 ppm2      4.561 CV     1}
 ASSI {  882}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 10   and name HB2 ))
      3.700     1.700     1.700 {peak   882 spectrum    1 weight  0.10000E+01 volume  0.32853E-03 ppm1      4.852 ppm2      1.942 CV     1}
 ASSI {  883}
   (( segid "A   " and resid 77   and name HA  ))
   (  segid "A   " and resid 77   and name HG2%)
      2.300     0.700     0.700 {peak   883 spectrum    1 weight  0.10000E+01 volume  0.56537E-02 ppm1      4.855 ppm2      1.462 CV     1}
 ASSI {  886}
   (  segid "A   " and resid 77   and name HG2%)
   (( segid "A   " and resid 78   and name HN  ))
      4.600     2.600     1.400 {peak   886 spectrum    1 weight  0.10000E+01 volume  0.97791E-04 ppm1      1.455 ppm2      8.510 CV     1}
 ASSI {  887}
   (( segid "A   " and resid 90   and name HG2 ))
   (( segid "A   " and resid 73   and name HD21))
      2.600     0.900     0.900 {peak   887 spectrum    1 weight  0.10000E+01 volume  0.27403E-02 ppm1      1.457 ppm2      6.942 CV     1}
 ASSI {  891}
   (  segid "A   " and resid 77   and name HG2%)
   (( segid "A   " and resid 77   and name HB  ))
      2.400     0.700     0.700 {peak   891 spectrum    1 weight  0.10000E+01 volume  0.46554E-02 ppm1      1.457 ppm2      4.549 CV     1}
 ASSI {  892}
   (  segid "A   " and resid 77   and name HG2%)
   (( segid "A   " and resid 79   and name HB2 ))
      2.700     2.700     3.300 {peak   892 spectrum    1 weight  0.10000E+01 volume  0.20730E-02 ppm1      1.459 ppm2      2.988 CV     1}
 ASSI {  893}
   (( segid "A   " and resid 78   and name HA  ))
   (( segid "A   " and resid 79   and name HN  ))
      2.100     0.600     0.600 {peak   893 spectrum    1 weight  0.10000E+01 volume  0.90664E-02 ppm1      5.323 ppm2      8.776 CV     1}
 ASSI {  894}
   (( segid "A   " and resid 78   and name HA  ))
   (( segid "A   " and resid 82   and name HN  ))
      3.500     1.600     1.600 {peak   894 spectrum    1 weight  0.10000E+01 volume  0.45383E-03 ppm1      5.316 ppm2      7.902 CV     1}
 ASSI {  895}
   (( segid "A   " and resid 78   and name HA  ))
   (( segid "A   " and resid 82   and name HA  ))
      3.700     1.700     1.700 {peak   895 spectrum    1 weight  0.10000E+01 volume  0.34941E-03 ppm1      5.325 ppm2      4.793 CV     1}
 ASSI {  896}
   (( segid "A   " and resid 78   and name HA  ))
   (( segid "A   " and resid 83   and name HA  ))
      2.600     0.800     0.800 {peak   896 spectrum    1 weight  0.10000E+01 volume  0.31528E-02 ppm1      5.323 ppm2      4.225 CV     1}
 ASSI {  897}
   (( segid "A   " and resid 78   and name HA  ))
   (( segid "A   " and resid 82   and name HB2 ))
      3.600     3.600     2.400 {peak   897 spectrum    1 weight  0.10000E+01 volume  0.44466E-03 ppm1      5.320 ppm2      2.134 CV     1}
 ASSI {  898}
   (( segid "A   " and resid 78   and name HA  ))
   (  segid "A   " and resid 77   and name HG2%)
      2.200     2.200     3.800 {peak   898 spectrum    1 weight  0.10000E+01 volume  0.72837E-02 ppm1      5.327 ppm2      1.505 CV     1}
 ASSI {  899}
   (( segid "A   " and resid 78   and name HA  ))
   (  segid "A   " and resid 78   and name HB% )
      2.000     0.500     0.500 {peak   899 spectrum    1 weight  0.10000E+01 volume  0.12428E-01 ppm1      5.324 ppm2      1.238 CV     1}
 ASSI {  900}
   (( segid "A   " and resid 78   and name HA  ))
   (  segid "A   " and resid 83   and name HG2%)
      3.100     1.200     1.200 {peak   900 spectrum    1 weight  0.10000E+01 volume  0.10391E-02 ppm1      5.323 ppm2      0.701 CV     1}
 OR {  900}
   (( segid "A   " and resid 78   and name HA  ))
   (  segid "A   " and resid 83   and name HG1%)
 ASSI {  901}
   (( segid "A   " and resid 78   and name HA  ))
   (( segid "A   " and resid 79   and name HB1 ))
      4.000     2.000     2.000 {peak   901 spectrum    1 weight  0.10000E+01 volume  0.23430E-03 ppm1      5.324 ppm2      2.734 CV     1}
 ASSI {  902}
   (( segid "A   " and resid 78   and name HA  ))
   (( segid "A   " and resid 79   and name HB2 ))
      4.600     2.700     1.400 {peak   902 spectrum    1 weight  0.10000E+01 volume  0.90664E-04 ppm1      5.315 ppm2      2.985 CV     1}
 ASSI {  903}
   (( segid "A   " and resid 79   and name HA  ))
   (  segid "A   " and resid 79   and name HD% )
      2.400     0.700     0.700 {peak   903 spectrum    1 weight  0.10000E+01 volume  0.43040E-02 ppm1      4.719 ppm2      7.162 CV     1}
 ASSI {  904}
   (( segid "A   " and resid 79   and name HA  ))
   (( segid "A   " and resid 79   and name HB2 ))
      2.800     1.000     1.000 {peak   904 spectrum    1 weight  0.10000E+01 volume  0.17317E-02 ppm1      4.719 ppm2      2.982 CV     1}
 ASSI {  906}
   (( segid "A   " and resid 79   and name HB1 ))
   (( segid "A   " and resid 79   and name HB2 ))
      2.900     1.100     1.100 {peak   906 spectrum    1 weight  0.10000E+01 volume  0.14975E-02 ppm1      2.716 ppm2      3.002 CV     1}
 ASSI {  907}
   (( segid "A   " and resid 79   and name HB1 ))
   (( segid "A   " and resid 79   and name HA  ))
      3.100     1.200     1.200 {peak   907 spectrum    1 weight  0.10000E+01 volume  0.10951E-02 ppm1      2.717 ppm2      4.712 CV     1}
 ASSI {  908}
   (( segid "A   " and resid 79   and name HB1 ))
   (  segid "A   " and resid 79   and name HD% )
      2.500     0.800     0.800 {peak   908 spectrum    1 weight  0.10000E+01 volume  0.33005E-02 ppm1      2.722 ppm2      7.174 CV     1}
 ASSI {  910}
   (( segid "A   " and resid 80   and name HA  ))
   (  segid "A   " and resid 79   and name HD% )
      3.700     1.700     1.700 {peak   910 spectrum    1 weight  0.10000E+01 volume  0.33566E-03 ppm1      3.582 ppm2      7.170 CV     1}
 ASSI {  911}
   (( segid "A   " and resid 80   and name HA  ))
   (( segid "A   " and resid 80   and name HB1 ))
      2.300     0.700     0.700 {peak   911 spectrum    1 weight  0.10000E+01 volume  0.58066E-02 ppm1      3.577 ppm2      1.725 CV     1}
 ASSI {  912}
   (( segid "A   " and resid 80   and name HA  ))
   (( segid "A   " and resid 80   and name HB2 ))
      2.300     2.300     3.700 {peak   912 spectrum    1 weight  0.10000E+01 volume  0.65197E-02 ppm1      3.578 ppm2      1.358 CV     1}
 ASSI {  913}
   (( segid "A   " and resid 80   and name HA  ))
   (( segid "A   " and resid 80   and name HG2 ))
      2.300     0.700     0.700 {peak   913 spectrum    1 weight  0.10000E+01 volume  0.55518E-02 ppm1      3.579 ppm2      0.708 CV     1}
 ASSI {  914}
   (( segid "A   " and resid 80   and name HA  ))
   (( segid "A   " and resid 80   and name HG1 ))
      2.700     2.700     3.300 {peak   914 spectrum    1 weight  0.10000E+01 volume  0.20935E-02 ppm1      3.576 ppm2      0.403 CV     1}
 ASSI {  915}
   (( segid "A   " and resid 80   and name HD1 ))
   (( segid "A   " and resid 80   and name HA  ))
      2.900     1.100     1.100 {peak   915 spectrum    1 weight  0.10000E+01 volume  0.14211E-02 ppm1      1.385 ppm2      3.591 CV     1}
 OR {  915}
   (( segid "A   " and resid 80   and name HD2 ))
   (( segid "A   " and resid 80   and name HA  ))
 ASSI {  916}
   (( segid "A   " and resid 65   and name HA  ))
   (( segid "A   " and resid 64   and name HB1 ))
      3.900     1.900     1.900 {peak   916 spectrum    1 weight  0.10000E+01 volume  0.26996E-03 ppm1      3.442 ppm2      1.529 CV     1}
 ASSI {  917}
   (( segid "A   " and resid 17   and name HA  ))
   (( segid "A   " and resid 17   and name HN  ))
      2.500     0.800     0.800 {peak   917 spectrum    1 weight  0.10000E+01 volume  0.35247E-02 ppm1      4.974 ppm2      8.698 CV     1}
 ASSI {  918}
   (( segid "A   " and resid 63   and name HB  ))
   (( segid "A   " and resid 63   and name HG12))
      2.400     0.700     0.700 {peak   918 spectrum    1 weight  0.10000E+01 volume  0.42530E-02 ppm1      1.767 ppm2      1.111 CV     1}
 ASSI {  919}
   (( segid "A   " and resid 81   and name HA2 ))
   (( segid "A   " and resid 81   and name HA1 ))
      2.200     0.600     0.600 {peak   919 spectrum    1 weight  0.10000E+01 volume  0.81495E-02 ppm1      4.182 ppm2      3.602 CV     1}
 ASSI {  920}
   (( segid "A   " and resid 81   and name HA2 ))
   (  segid "A   " and resid 78   and name HB% )
      4.300     2.300     1.700 {peak   920 spectrum    1 weight  0.10000E+01 volume  0.13956E-03 ppm1      4.188 ppm2      1.247 CV     1}
 ASSI {  921}
   (( segid "A   " and resid 81   and name HA2 ))
   (( segid "A   " and resid 82   and name HN  ))
      3.200     1.300     1.300 {peak   921 spectrum    1 weight  0.10000E+01 volume  0.78440E-03 ppm1      4.185 ppm2      7.879 CV     1}
 ASSI {  922}
   (( segid "A   " and resid 83   and name HA  ))
   (  segid "A   " and resid 83   and name HG1%)
      2.200     0.600     0.600 {peak   922 spectrum    1 weight  0.10000E+01 volume  0.82005E-02 ppm1      4.221 ppm2      0.697 CV     1}
 OR {  922}
   (( segid "A   " and resid 83   and name HA  ))
   (  segid "A   " and resid 83   and name HG2%)
 ASSI {  923}
   (( segid "A   " and resid 83   and name HA  ))
   (  segid "A   " and resid 78   and name HB% )
      3.100     1.200     1.200 {peak   923 spectrum    1 weight  0.10000E+01 volume  0.10136E-02 ppm1      4.221 ppm2      1.229 CV     1}
 ASSI {  928}
   (( segid "A   " and resid 85   and name HB2 ))
   (  segid "A   " and resid 85   and name HD2%)
      2.400     0.700     0.700 {peak   928 spectrum    1 weight  0.10000E+01 volume  0.45484E-02 ppm1      1.128 ppm2      0.589 CV     1}
 ASSI {  929}
   (( segid "A   " and resid 85   and name HB2 ))
   (( segid "A   " and resid 85   and name HB1 ))
      2.100     0.600     0.600 {peak   929 spectrum    1 weight  0.10000E+01 volume  0.92193E-02 ppm1      1.132 ppm2      1.570 CV     1}
 ASSI {  930}
   (( segid "A   " and resid 85   and name HB2 ))
   (( segid "A   " and resid 85   and name HA  ))
      3.100     1.200     1.200 {peak   930 spectrum    1 weight  0.10000E+01 volume  0.10136E-02 ppm1      1.129 ppm2      4.546 CV     1}
 ASSI {  931}
   (( segid "A   " and resid 85   and name HB2 ))
   (( segid "A   " and resid 53   and name HA  ))
      3.200     1.300     1.300 {peak   931 spectrum    1 weight  0.10000E+01 volume  0.85061E-03 ppm1      1.118 ppm2      5.086 CV     1}
 ASSI {  932}
   (( segid "A   " and resid 85   and name HB2 ))
   (( segid "A   " and resid 84   and name HA  ))
      3.800     1.800     1.800 {peak   932 spectrum    1 weight  0.10000E+01 volume  0.28778E-03 ppm1      1.135 ppm2      4.803 CV     1}
 ASSI {  934}
   (( segid "A   " and resid 53   and name HB1 ))
   (( segid "A   " and resid 53   and name HN  ))
      2.900     1.000     1.000 {peak   934 spectrum    1 weight  0.10000E+01 volume  0.15382E-02 ppm1      1.576 ppm2      9.139 CV     1}
 ASSI {  935}
   (  segid "A   " and resid 85   and name HD1%)
   (( segid "A   " and resid 86   and name HN  ))
      3.500     1.600     1.600 {peak   935 spectrum    1 weight  0.10000E+01 volume  0.45943E-03 ppm1      0.622 ppm2      8.205 CV     1}
 ASSI {  936}
   (  segid "A   " and resid 85   and name HD1%)
   (( segid "A   " and resid 85   and name HN  ))
      3.300     1.400     1.400 {peak   936 spectrum    1 weight  0.10000E+01 volume  0.63668E-03 ppm1      0.624 ppm2      8.974 CV     1}
 ASSI {  938}
   (  segid "A   " and resid 85   and name HD2%)
   (( segid "A   " and resid 85   and name HG  ))
      2.800     1.000     1.000 {peak   938 spectrum    1 weight  0.10000E+01 volume  0.17471E-02 ppm1      0.550 ppm2      1.323 CV     1}
 ASSI {  939}
   (  segid "A   " and resid 85   and name HD2%)
   (( segid "A   " and resid 85   and name HB1 ))
      2.500     0.800     0.800 {peak   939 spectrum    1 weight  0.10000E+01 volume  0.36469E-02 ppm1      0.550 ppm2      1.550 CV     1}
 ASSI {  940}
   (  segid "A   " and resid 85   and name HD2%)
   (( segid "A   " and resid 17   and name HB  ))
      3.900     1.900     1.900 {peak   940 spectrum    1 weight  0.10000E+01 volume  0.25467E-03 ppm1      0.548 ppm2      2.119 CV     1}
 ASSI {  941}
   (  segid "A   " and resid 85   and name HD2%)
   (( segid "A   " and resid 85   and name HA  ))
      4.200     2.200     1.800 {peak   941 spectrum    1 weight  0.10000E+01 volume  0.15790E-03 ppm1      0.549 ppm2      4.567 CV     1}
 ASSI {  943}
   (  segid "A   " and resid 85   and name HD2%)
   (( segid "A   " and resid 74   and name HN  ))
      3.800     1.800     1.800 {peak   943 spectrum    1 weight  0.10000E+01 volume  0.29492E-03 ppm1      0.548 ppm2      8.936 CV     1}
 ASSI {  944}
   (( segid "A   " and resid 86   and name HA  ))
   (( segid "A   " and resid 86   and name HB1 ))
      2.500     0.800     0.800 {peak   944 spectrum    1 weight  0.10000E+01 volume  0.36011E-02 ppm1      5.301 ppm2      0.930 CV     1}
 ASSI {  945}
   (( segid "A   " and resid 86   and name HA  ))
   (( segid "A   " and resid 86   and name HB2 ))
      2.400     0.700     0.700 {peak   945 spectrum    1 weight  0.10000E+01 volume  0.46554E-02 ppm1      5.302 ppm2      0.456 CV     1}
 ASSI {  949}
   (( segid "A   " and resid 86   and name HA  ))
   (( segid "A   " and resid 87   and name HN  ))
      2.300     0.700     0.700 {peak   949 spectrum    1 weight  0.10000E+01 volume  0.61631E-02 ppm1      5.301 ppm2      8.429 CV     1}
 ASSI {  951}
   (( segid "A   " and resid 86   and name HB2 ))
   (( segid "A   " and resid 86   and name HN  ))
      3.500     1.600     1.600 {peak   951 spectrum    1 weight  0.10000E+01 volume  0.46147E-03 ppm1      0.442 ppm2      8.204 CV     1}
 ASSI {  955}
   (( segid "A   " and resid 86   and name HB2 ))
   (( segid "A   " and resid 85   and name HA  ))
      4.700     2.700     1.300 {peak   955 spectrum    1 weight  0.10000E+01 volume  0.88117E-04 ppm1      0.439 ppm2      4.565 CV     1}
 ASSI {  956}
   (( segid "A   " and resid 86   and name HB2 ))
   (( segid "A   " and resid 86   and name HB1 ))
      2.500     0.800     0.800 {peak   956 spectrum    1 weight  0.10000E+01 volume  0.34840E-02 ppm1      0.445 ppm2      0.912 CV     1}
 ASSI {  958}
   (( segid "A   " and resid 86   and name HB2 ))
   (( segid "A   " and resid 75   and name HN  ))
      4.800     2.800     1.200 {peak   958 spectrum    1 weight  0.10000E+01 volume  0.76911E-04 ppm1      0.443 ppm2      7.938 CV     1}
 ASSI {  959}
   (( segid "A   " and resid 86   and name HB2 ))
   (( segid "A   " and resid 56   and name HE1 ))
      4.000     2.000     2.000 {peak   959 spectrum    1 weight  0.10000E+01 volume  0.22157E-03 ppm1      0.449 ppm2     10.128 CV     1}
 ASSI {  964}
   (( segid "A   " and resid 86   and name HB1 ))
   (( segid "A   " and resid 75   and name HZ2 ))
      3.300     1.300     1.300 {peak   964 spectrum    1 weight  0.10000E+01 volume  0.71309E-03 ppm1      0.906 ppm2      6.911 CV     1}
 ASSI {  965}
   (( segid "A   " and resid 86   and name HB1 ))
   (( segid "A   " and resid 86   and name HN  ))
      3.500     1.500     1.500 {peak   965 spectrum    1 weight  0.10000E+01 volume  0.52463E-03 ppm1      0.903 ppm2      8.211 CV     1}
 ASSI {  966}
   (( segid "A   " and resid 86   and name HB1 ))
   (( segid "A   " and resid 87   and name HN  ))
      3.700     1.800     1.800 {peak   966 spectrum    1 weight  0.10000E+01 volume  0.32191E-03 ppm1      0.903 ppm2      8.433 CV     1}
 ASSI {  968}
   (( segid "A   " and resid 87   and name HA  ))
   (( segid "A   " and resid 75   and name HZ2 ))
      2.900     2.900     3.100 {peak   968 spectrum    1 weight  0.10000E+01 volume  0.14517E-02 ppm1      4.884 ppm2      6.838 CV     1}
 ASSI {  969}
   (( segid "A   " and resid 87   and name HA  ))
   (( segid "A   " and resid 86   and name HD21))
      4.100     2.100     1.900 {peak   969 spectrum    1 weight  0.10000E+01 volume  0.18642E-03 ppm1      4.897 ppm2      5.762 CV     1}
 ASSI {  970}
   (( segid "A   " and resid 87   and name HA  ))
   (( segid "A   " and resid 88   and name HA1 ))
      2.700     2.700     3.300 {peak   970 spectrum    1 weight  0.10000E+01 volume  0.24092E-02 ppm1      4.886 ppm2      5.247 CV     1}
 ASSI {  971}
   (( segid "A   " and resid 87   and name HA  ))
   (( segid "A   " and resid 55   and name HA  ))
      3.700     1.700     1.700 {peak   971 spectrum    1 weight  0.10000E+01 volume  0.36673E-03 ppm1      4.889 ppm2      4.526 CV     1}
 ASSI {  973}
   (( segid "A   " and resid 87   and name HA  ))
   (  segid "A   " and resid 87   and name HB% )
      1.900     0.500     0.500 {peak   973 spectrum    1 weight  0.10000E+01 volume  0.17165E-01 ppm1      4.888 ppm2      0.972 CV     1}
 ASSI {  974}
   (( segid "A   " and resid 87   and name HA  ))
   (  segid "A   " and resid 91   and name HG2%)
      2.200     0.600     0.600 {peak   974 spectrum    1 weight  0.10000E+01 volume  0.84552E-02 ppm1      4.887 ppm2      1.110 CV     1}
 ASSI {  975}
   (  segid "A   " and resid 87   and name HB% )
   (( segid "A   " and resid 59   and name HD2 ))
      3.800     1.800     1.800 {peak   975 spectrum    1 weight  0.10000E+01 volume  0.30153E-03 ppm1      0.960 ppm2      6.865 CV     1}
 ASSI {  978}
   (  segid "A   " and resid 87   and name HB% )
   (( segid "A   " and resid 55   and name HA  ))
      2.900     1.100     1.100 {peak   978 spectrum    1 weight  0.10000E+01 volume  0.14669E-02 ppm1      0.959 ppm2      4.529 CV     1}
 ASSI {  979}
   (  segid "A   " and resid 87   and name HB% )
   (( segid "A   " and resid 91   and name HB  ))
      3.800     1.800     1.800 {peak   979 spectrum    1 weight  0.10000E+01 volume  0.28319E-03 ppm1      0.962 ppm2      4.166 CV     1}
 ASSI {  980}
   (  segid "A   " and resid 87   and name HB% )
   (  segid "A   " and resid 93   and name HD1%)
      2.800     1.000     1.000 {peak   980 spectrum    1 weight  0.10000E+01 volume  0.17521E-02 ppm1      0.961 ppm2      0.267 CV     1}
 ASSI {  981}
   (  segid "A   " and resid 87   and name HB% )
   (( segid "A   " and resid 92   and name HN  ))
      3.700     1.700     1.700 {peak   981 spectrum    1 weight  0.10000E+01 volume  0.35654E-03 ppm1      0.965 ppm2      9.174 CV     1}
 ASSI {  982}
   (( segid "A   " and resid 88   and name HA1 ))
   (  segid "A   " and resid 87   and name HB% )
      4.700     2.700     1.300 {peak   982 spectrum    1 weight  0.10000E+01 volume  0.87607E-04 ppm1      5.205 ppm2      0.975 CV     1}
 ASSI {  984}
   (( segid "A   " and resid 88   and name HA1 ))
   (( segid "A   " and resid 88   and name HA2 ))
      2.400     0.700     0.700 {peak   984 spectrum    1 weight  0.10000E+01 volume  0.44110E-02 ppm1      5.223 ppm2      4.391 CV     1}
 ASSI {  985}
   (( segid "A   " and resid 88   and name HA1 ))
   (( segid "A   " and resid 75   and name HZ2 ))
      2.600     2.600     3.400 {peak   985 spectrum    1 weight  0.10000E+01 volume  0.25977E-02 ppm1      5.223 ppm2      6.860 CV     1}
 ASSI {  987}
   (( segid "A   " and resid 91   and name HA  ))
   (( segid "A   " and resid 91   and name HB  ))
      3.600     1.600     1.600 {peak   987 spectrum    1 weight  0.10000E+01 volume  0.43753E-03 ppm1      4.962 ppm2      4.172 CV     1}
 ASSI {  989}
   (( segid "A   " and resid 91   and name HA  ))
   (( segid "A   " and resid 92   and name HN  ))
      2.300     0.700     0.700 {peak   989 spectrum    1 weight  0.10000E+01 volume  0.57047E-02 ppm1      4.960 ppm2      9.155 CV     1}
 ASSI {  990}
   (( segid "A   " and resid 91   and name HA  ))
   (( segid "A   " and resid 73   and name HB2 ))
      3.200     1.300     1.300 {peak   990 spectrum    1 weight  0.10000E+01 volume  0.77930E-03 ppm1      4.958 ppm2      3.776 CV     1}
 ASSI {  991}
   (( segid "A   " and resid 91   and name HA  ))
   (( segid "A   " and resid 73   and name HB1 ))
      2.900     2.900     3.100 {peak   991 spectrum    1 weight  0.10000E+01 volume  0.16197E-02 ppm1      4.961 ppm2      2.857 CV     1}
 ASSI {  993}
   (( segid "A   " and resid 91   and name HA  ))
   (( segid "A   " and resid 92   and name HB2 ))
      2.800     2.800     3.200 {peak   993 spectrum    1 weight  0.10000E+01 volume  0.16707E-02 ppm1      4.961 ppm2      1.821 CV     1}
 ASSI {  994}
   (( segid "A   " and resid 91   and name HB  ))
   (  segid "A   " and resid 91   and name HG2%)
      2.700     0.900     0.900 {peak   994 spectrum    1 weight  0.10000E+01 volume  0.21698E-02 ppm1      4.162 ppm2      1.123 CV     1}
 ASSI {  996}
   (( segid "A   " and resid 91   and name HB  ))
   (( segid "A   " and resid 87   and name HA  ))
      2.400     0.700     0.700 {peak   996 spectrum    1 weight  0.10000E+01 volume  0.43040E-02 ppm1      4.165 ppm2      4.899 CV     1}
 ASSI {  998}
   (( segid "A   " and resid 91   and name HB  ))
   (( segid "A   " and resid 92   and name HN  ))
      3.400     1.500     1.500 {peak   998 spectrum    1 weight  0.10000E+01 volume  0.53991E-03 ppm1      4.168 ppm2      9.126 CV     1}
 ASSI {  999}
   (  segid "A   " and resid 91   and name HG2%)
   (( segid "A   " and resid 88   and name HN  ))
      3.200     1.300     1.300 {peak   999 spectrum    1 weight  0.10000E+01 volume  0.79459E-03 ppm1      1.127 ppm2      8.249 CV     1}
 ASSI { 1001}
   (( segid "A   " and resid 93   and name HA  ))
   (( segid "A   " and resid 93   and name HN  ))
      2.300     0.700     0.700 {peak  1001 spectrum    1 weight  0.10000E+01 volume  0.61122E-02 ppm1      4.791 ppm2      8.399 CV     1}
 ASSI { 1003}
   (( segid "A   " and resid 93   and name HA  ))
   (  segid "A   " and resid 94   and name HB% )
      2.600     2.600     3.400 {peak  1003 spectrum    1 weight  0.10000E+01 volume  0.29287E-02 ppm1      4.798 ppm2      1.412 CV     1}
 ASSI { 1004}
   (( segid "A   " and resid 93   and name HA  ))
   (( segid "A   " and resid 93   and name HG12))
      2.600     0.800     0.800 {peak  1004 spectrum    1 weight  0.10000E+01 volume  0.30612E-02 ppm1      4.792 ppm2      1.112 CV     1}
 ASSI { 1005}
   (( segid "A   " and resid 93   and name HA  ))
   (  segid "A   " and resid 93   and name HG2%)
      2.100     0.500     0.500 {peak  1005 spectrum    1 weight  0.10000E+01 volume  0.11308E-01 ppm1      4.792 ppm2      0.589 CV     1}
 ASSI { 1007}
   (( segid "A   " and resid 93   and name HB  ))
   (( segid "A   " and resid 94   and name HN  ))
      3.800     1.800     1.800 {peak  1007 spectrum    1 weight  0.10000E+01 volume  0.28880E-03 ppm1      1.622 ppm2      8.649 CV     1}
 ASSI { 1008}
   (( segid "A   " and resid 93   and name HB  ))
   (( segid "A   " and resid 93   and name HA  ))
      2.700     0.900     0.900 {peak  1008 spectrum    1 weight  0.10000E+01 volume  0.23990E-02 ppm1      1.623 ppm2      4.807 CV     1}
 ASSI { 1009}
   (( segid "A   " and resid 93   and name HB  ))
   (( segid "A   " and resid 93   and name HG12))
      2.800     1.000     1.000 {peak  1009 spectrum    1 weight  0.10000E+01 volume  0.17471E-02 ppm1      1.626 ppm2      1.096 CV     1}
 ASSI { 1010}
   (( segid "A   " and resid 93   and name HB  ))
   (  segid "A   " and resid 93   and name HG2%)
      2.200     0.600     0.600 {peak  1010 spectrum    1 weight  0.10000E+01 volume  0.87607E-02 ppm1      1.624 ppm2      0.558 CV     1}
 ASSI { 1011}
   (( segid "A   " and resid 93   and name HB  ))
   (  segid "A   " and resid 93   and name HD1%)
      2.700     0.900     0.900 {peak  1011 spectrum    1 weight  0.10000E+01 volume  0.21189E-02 ppm1      1.626 ppm2      0.273 CV     1}
 ASSI { 1012}
   (( segid "A   " and resid 93   and name HB  ))
   (  segid "A   " and resid 94   and name HB% )
      3.100     3.100     2.900 {peak  1012 spectrum    1 weight  0.10000E+01 volume  0.99832E-03 ppm1      1.621 ppm2      1.331 CV     1}
 ASSI { 1013}
   (( segid "A   " and resid 94   and name HA  ))
   (  segid "A   " and resid 93   and name HG2%)
      3.300     1.300     1.300 {peak  1013 spectrum    1 weight  0.10000E+01 volume  0.73855E-03 ppm1      4.758 ppm2      0.543 CV     1}
 ASSI { 1014}
   (( segid "A   " and resid 94   and name HA  ))
   (  segid "A   " and resid 94   and name HB% )
      1.700     0.400     0.500 {peak  1014 spectrum    1 weight  0.10000E+01 volume  0.33566E-01 ppm1      4.760 ppm2      1.378 CV     1}
 ASSI { 1015}
   (( segid "A   " and resid 94   and name HA  ))
   (( segid "A   " and resid 69   and name HB  ))
      2.900     2.900     3.100 {peak  1015 spectrum    1 weight  0.10000E+01 volume  0.15331E-02 ppm1      4.765 ppm2      1.758 CV     1}
 ASSI { 1016}
   (( segid "A   " and resid 94   and name HA  ))
   (( segid "A   " and resid 95   and name HB1 ))
      3.600     1.600     1.600 {peak  1016 spectrum    1 weight  0.10000E+01 volume  0.40849E-03 ppm1      4.763 ppm2      1.984 CV     1}
 ASSI { 1017}
   (( segid "A   " and resid 94   and name HA  ))
   (( segid "A   " and resid 95   and name HG2 ))
      3.900     1.900     1.900 {peak  1017 spectrum    1 weight  0.10000E+01 volume  0.24194E-03 ppm1      4.758 ppm2      2.325 CV     1}
 ASSI { 1018}
   (( segid "A   " and resid 94   and name HA  ))
   (( segid "A   " and resid 95   and name HN  ))
      2.000     0.500     0.500 {peak  1018 spectrum    1 weight  0.10000E+01 volume  0.12377E-01 ppm1      4.759 ppm2      8.591 CV     1}
 ASSI { 1020}
   (  segid "A   " and resid 94   and name HB% )
   (( segid "A   " and resid 95   and name HG2 ))
      3.600     1.600     1.600 {peak  1020 spectrum    1 weight  0.10000E+01 volume  0.43193E-03 ppm1      1.372 ppm2      2.263 CV     1}
 ASSI { 1021}
   (  segid "A   " and resid 94   and name HB% )
   (( segid "A   " and resid 95   and name HN  ))
      2.200     0.600     0.600 {peak  1021 spectrum    1 weight  0.10000E+01 volume  0.71818E-02 ppm1      1.377 ppm2      8.624 CV     1}
 ASSI { 1022}
   (  segid "A   " and resid 94   and name HB% )
   (( segid "A   " and resid 70   and name HN  ))
      4.200     2.300     1.800 {peak  1022 spectrum    1 weight  0.10000E+01 volume  0.15230E-03 ppm1      1.377 ppm2      9.015 CV     1}
 ASSI { 1023}
   (( segid "A   " and resid 96   and name HA  ))
   (  segid "A   " and resid 96   and name HB% )
      2.000     0.500     0.500 {peak  1023 spectrum    1 weight  0.10000E+01 volume  0.13549E-01 ppm1      4.628 ppm2      1.140 CV     1}
 ASSI { 1024}
   (( segid "A   " and resid 96   and name HA  ))
   (( segid "A   " and resid 96   and name HN  ))
      3.000     1.100     1.100 {peak  1024 spectrum    1 weight  0.10000E+01 volume  0.12886E-02 ppm1      4.618 ppm2      8.458 CV     1}
 ASSI { 1026}
   (  segid "A   " and resid 96   and name HB% )
   (  segid "A   " and resid 68   and name HG2%)
      2.500     0.800     0.800 {peak  1026 spectrum    1 weight  0.10000E+01 volume  0.40952E-02 ppm1      1.144 ppm2     -0.065 CV     1}
 ASSI { 1029}
   (  segid "A   " and resid 96   and name HB% )
   (( segid "A   " and resid 70   and name HN  ))
      3.400     1.400     1.400 {peak  1029 spectrum    1 weight  0.10000E+01 volume  0.58575E-03 ppm1      1.140 ppm2      9.018 CV     1}
 ASSI { 1030}
   (( segid "A   " and resid 99   and name HB2 ))
   (( segid "A   " and resid 99   and name HA  ))
      3.400     1.400     1.400 {peak  1030 spectrum    1 weight  0.10000E+01 volume  0.58066E-03 ppm1      2.589 ppm2      4.473 CV     1}
 ASSI { 1031}
   (( segid "A   " and resid 99   and name HB2 ))
   (( segid "A   " and resid 99   and name HN  ))
      4.300     2.300     1.700 {peak  1031 spectrum    1 weight  0.10000E+01 volume  0.14822E-03 ppm1      2.595 ppm2      8.136 CV     1}
 ASSI { 1032}
   (( segid "A   " and resid 100  and name HA1 ))
   (( segid "A   " and resid 100  and name HA2 ))
      2.400     0.700     0.700 {peak  1032 spectrum    1 weight  0.10000E+01 volume  0.51953E-02 ppm1      3.780 ppm2      4.020 CV     1}
 ASSI { 1033}
   (( segid "A   " and resid 100  and name HA1 ))
   (( segid "A   " and resid 101  and name HN  ))
      4.100     2.100     1.900 {peak  1033 spectrum    1 weight  0.10000E+01 volume  0.18642E-03 ppm1      3.788 ppm2      7.993 CV     1}
 ASSI { 1034}
   (( segid "A   " and resid 105  and name HB1 ))
   (( segid "A   " and resid 105  and name HA  ))
      2.000     2.000     4.000 {peak  1034 spectrum    1 weight  0.10000E+01 volume  0.12836E-01 ppm1      3.909 ppm2      4.249 CV     1}
 ASSI { 1036}
   (( segid "A   " and resid 104  and name HB1 ))
   (( segid "A   " and resid 104  and name HN  ))
      3.100     1.200     1.200 {peak  1036 spectrum    1 weight  0.10000E+01 volume  0.99832E-03 ppm1      3.911 ppm2      9.104 CV     1}
 OR { 1036}
   (( segid "A   " and resid 104  and name HB2 ))
   (( segid "A   " and resid 104  and name HN  ))
 ASSI { 1037}
   (( segid "A   " and resid 105  and name HA  ))
   (( segid "A   " and resid 105  and name HN  ))
      3.300     1.300     1.300 {peak  1037 spectrum    1 weight  0.10000E+01 volume  0.72837E-03 ppm1      4.238 ppm2      7.895 CV     1}
 ASSI { 1038}
   (( segid "A   " and resid 105  and name HA  ))
   (( segid "A   " and resid 105  and name HB2 ))
      1.700     1.700     4.300 {peak  1038 spectrum    1 weight  0.10000E+01 volume  0.42581E-01 ppm1      4.238 ppm2      3.943 CV     1}
 ASSI { 1039}
   (( segid "A   " and resid 107  and name HB  ))
   (( segid "A   " and resid 107  and name HN  ))
      2.400     0.700     0.700 {peak  1039 spectrum    1 weight  0.10000E+01 volume  0.48897E-02 ppm1      1.890 ppm2      7.112 CV     1}
 ASSI { 1040}
   (( segid "A   " and resid 107  and name HB  ))
   (( segid "A   " and resid 107  and name HA  ))
      3.700     1.700     1.700 {peak  1040 spectrum    1 weight  0.10000E+01 volume  0.37081E-03 ppm1      1.893 ppm2      4.419 CV     1}
 ASSI { 1041}
   (( segid "A   " and resid 107  and name HB  ))
   (( segid "A   " and resid 104  and name HB2 ))
      3.200     1.200     1.200 {peak  1041 spectrum    1 weight  0.10000E+01 volume  0.90154E-03 ppm1      1.884 ppm2      3.885 CV     1}
 OR { 1041}
   (( segid "A   " and resid 107  and name HB  ))
   (( segid "A   " and resid 104  and name HB1 ))
 ASSI { 1042}
   (( segid "A   " and resid 107  and name HB  ))
   (( segid "A   " and resid 107  and name HG11))
      2.900     1.000     1.000 {peak  1042 spectrum    1 weight  0.10000E+01 volume  0.15586E-02 ppm1      1.881 ppm2      1.512 CV     1}
 ASSI { 1043}
   (( segid "A   " and resid 107  and name HB  ))
   (  segid "A   " and resid 107  and name HG2%)
      2.400     0.700     0.700 {peak  1043 spectrum    1 weight  0.10000E+01 volume  0.50935E-02 ppm1      1.893 ppm2      1.144 CV     1}
 ASSI { 1044}
   (( segid "A   " and resid 108  and name HD2 ))
   (( segid "A   " and resid 108  and name HB2 ))
      3.200     1.300     1.300 {peak  1044 spectrum    1 weight  0.10000E+01 volume  0.86080E-03 ppm1      3.837 ppm2      2.373 CV     1}
 ASSI { 1045}
   (( segid "A   " and resid 108  and name HD2 ))
   (( segid "A   " and resid 108  and name HG2 ))
      2.800     1.000     1.000 {peak  1045 spectrum    1 weight  0.10000E+01 volume  0.19100E-02 ppm1      3.841 ppm2      1.960 CV     1}
 ASSI { 1047}
   (( segid "A   " and resid 108  and name HD2 ))
   (( segid "A   " and resid 107  and name HA  ))
      2.800     1.000     1.000 {peak  1047 spectrum    1 weight  0.10000E+01 volume  0.18591E-02 ppm1      3.843 ppm2      4.390 CV     1}
 ASSI { 1048}
   (( segid "A   " and resid 108  and name HD2 ))
   (( segid "A   " and resid 49   and name HN  ))
      3.700     1.700     1.700 {peak  1048 spectrum    1 weight  0.10000E+01 volume  0.32700E-03 ppm1      3.844 ppm2      7.712 CV     1}
 ASSI { 1049}
   (( segid "A   " and resid 109  and name HA  ))
   (( segid "A   " and resid 50   and name HD1 ))
      3.100     3.100     2.900 {peak  1049 spectrum    1 weight  0.10000E+01 volume  0.99832E-03 ppm1      3.940 ppm2      3.237 CV     1}
 ASSI { 1051}
   (( segid "A   " and resid 109  and name HA  ))
   (( segid "A   " and resid 109  and name HB2 ))
      2.100     0.600     0.600 {peak  1051 spectrum    1 weight  0.10000E+01 volume  0.10034E-01 ppm1      3.939 ppm2      2.133 CV     1}
 ASSI { 1052}
   (( segid "A   " and resid 109  and name HA  ))
   (( segid "A   " and resid 109  and name HB1 ))
      2.600     0.800     0.800 {peak  1052 spectrum    1 weight  0.10000E+01 volume  0.28524E-02 ppm1      3.940 ppm2      1.885 CV     1}
 ASSI { 1053}
   (( segid "A   " and resid 109  and name HA  ))
   (( segid "A   " and resid 50   and name HG2 ))
      2.700     0.900     0.900 {peak  1053 spectrum    1 weight  0.10000E+01 volume  0.22870E-02 ppm1      3.938 ppm2      1.529 CV     1}
 OR { 1053}
   (( segid "A   " and resid 109  and name HA  ))
   (( segid "A   " and resid 50   and name HG1 ))
 ASSI { 1054}
   (( segid "A   " and resid 109  and name HA  ))
   (( segid "A   " and resid 108  and name HA  ))
      3.500     1.500     1.500 {peak  1054 spectrum    1 weight  0.10000E+01 volume  0.50935E-03 ppm1      3.940 ppm2      4.509 CV     1}
 ASSI { 1055}
   (( segid "A   " and resid 109  and name HA  ))
   (( segid "A   " and resid 50   and name HE  ))
      3.300     1.400     1.400 {peak  1055 spectrum    1 weight  0.10000E+01 volume  0.66215E-03 ppm1      3.938 ppm2      6.446 CV     1}
 ASSI { 1057}
   (( segid "A   " and resid 110  and name HB1 ))
   (( segid "A   " and resid 108  and name HB1 ))
      3.700     1.700     1.700 {peak  1057 spectrum    1 weight  0.10000E+01 volume  0.34840E-03 ppm1      2.754 ppm2      1.982 CV     1}
 OR { 1057}
   (( segid "A   " and resid 110  and name HB2 ))
   (( segid "A   " and resid 108  and name HB1 ))
 ASSI { 1058}
   (( segid "A   " and resid 110  and name HB1 ))
   (( segid "A   " and resid 109  and name HA  ))
      3.700     1.700     1.700 {peak  1058 spectrum    1 weight  0.10000E+01 volume  0.34788E-03 ppm1      2.757 ppm2      3.915 CV     1}
 OR { 1058}
   (( segid "A   " and resid 110  and name HB2 ))
   (( segid "A   " and resid 109  and name HA  ))
 ASSI { 1059}
   (( segid "A   " and resid 110  and name HB2 ))
   (( segid "A   " and resid 110  and name HA  ))
      2.400     0.700     0.700 {peak  1059 spectrum    1 weight  0.10000E+01 volume  0.46606E-02 ppm1      2.755 ppm2      4.653 CV     1}
 OR { 1059}
   (( segid "A   " and resid 110  and name HB1 ))
   (( segid "A   " and resid 110  and name HA  ))
 ASSI { 1060}
   (( segid "A   " and resid 110  and name HB1 ))
   (( segid "A   " and resid 49   and name HA2 ))
      3.200     1.300     1.300 {peak  1060 spectrum    1 weight  0.10000E+01 volume  0.76911E-03 ppm1      2.754 ppm2      4.289 CV     1}
 OR { 1060}
   (( segid "A   " and resid 110  and name HB2 ))
   (( segid "A   " and resid 49   and name HA2 ))
 ASSI { 1061}
   (( segid "A   " and resid 110  and name HB1 ))
   (( segid "A   " and resid 108  and name HB2 ))
      3.400     1.500     1.500 {peak  1061 spectrum    1 weight  0.10000E+01 volume  0.53991E-03 ppm1      2.755 ppm2      2.392 CV     1}
 OR { 1061}
   (( segid "A   " and resid 110  and name HB2 ))
   (( segid "A   " and resid 108  and name HB2 ))
 ASSI { 1063}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 7    and name HD22))
      3.000     1.100     1.100 {peak  1063 spectrum    1 weight  0.10000E+01 volume  0.13345E-02 ppm1      2.752 ppm2      7.945 CV     1}
 ASSI { 1064}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 4    and name HN  ))
      3.700     1.700     1.700 {peak  1064 spectrum    1 weight  0.10000E+01 volume  0.32751E-03 ppm1      2.768 ppm2      8.680 CV     1}
 ASSI { 1065}
   (( segid "A   " and resid 107  and name HB  ))
   (  segid "A   " and resid 107  and name HD1%)
      2.200     0.600     0.600 {peak  1065 spectrum    1 weight  0.10000E+01 volume  0.85061E-02 ppm1      1.880 ppm2      0.718 CV     1}
 ASSI { 1067}
   (( segid "A   " and resid 111  and name HB  ))
   (( segid "A   " and resid 111  and name HN  ))
      3.300     1.400     1.400 {peak  1067 spectrum    1 weight  0.10000E+01 volume  0.66215E-03 ppm1      4.191 ppm2      7.936 CV     1}
 ASSI { 1068}
   (( segid "A   " and resid 111  and name HB  ))
   (( segid "A   " and resid 111  and name HA  ))
      2.700     0.900     0.900 {peak  1068 spectrum    1 weight  0.10000E+01 volume  0.20781E-02 ppm1      4.190 ppm2      5.635 CV     1}
 ASSI { 1069}
   (( segid "A   " and resid 111  and name HB  ))
   (( segid "A   " and resid 112  and name HD2 ))
      3.100     1.200     1.200 {peak  1069 spectrum    1 weight  0.10000E+01 volume  0.10187E-02 ppm1      4.189 ppm2      3.608 CV     1}
 ASSI { 1070}
   (( segid "A   " and resid 111  and name HB  ))
   (  segid "A   " and resid 111  and name HG2%)
      2.400     0.700     0.700 {peak  1070 spectrum    1 weight  0.10000E+01 volume  0.45841E-02 ppm1      4.190 ppm2      1.343 CV     1}
 ASSI { 1071}
   (( segid "A   " and resid 112  and name HD2 ))
   (( segid "A   " and resid 112  and name HD1 ))
      2.300     0.700     0.700 {peak  1071 spectrum    1 weight  0.10000E+01 volume  0.55518E-02 ppm1      3.608 ppm2      4.124 CV     1}
 ASSI { 1072}
   (( segid "A   " and resid 112  and name HD2 ))
   (( segid "A   " and resid 112  and name HB2 ))
      5.200     3.400     0.800 {peak  1072 spectrum    1 weight  0.10000E+01 volume  0.44975E-04 ppm1      3.611 ppm2      2.363 CV     1}
 ASSI { 1073}
   (( segid "A   " and resid 112  and name HD2 ))
   (  segid "A   " and resid 51   and name HG1%)
      3.000     3.000     3.000 {peak  1073 spectrum    1 weight  0.10000E+01 volume  0.11460E-02 ppm1      3.611 ppm2      0.553 CV     1}
 ASSI { 1074}
   (( segid "A   " and resid 113  and name HB  ))
   (  segid "A   " and resid 113  and name HG2%)
      2.600     0.800     0.800 {peak  1074 spectrum    1 weight  0.10000E+01 volume  0.30866E-02 ppm1      4.315 ppm2      1.300 CV     1}
 ASSI { 1075}
   (( segid "A   " and resid 113  and name HB  ))
   (( segid "A   " and resid 113  and name HA  ))
      2.300     0.700     0.700 {peak  1075 spectrum    1 weight  0.10000E+01 volume  0.58575E-02 ppm1      4.314 ppm2      4.649 CV     1}
 ASSI { 1077}
   (  segid "A   " and resid 32   and name HG2%)
   (( segid "A   " and resid 37   and name HG1 ))
      2.300     0.700     0.700 {peak  1077 spectrum    1 weight  0.10000E+01 volume  0.58066E-02 ppm1      1.299 ppm2      1.682 CV     1}
 ASSI { 1078}
   (  segid "A   " and resid 114  and name HB% )
   (( segid "A   " and resid 114  and name HA  ))
      2.500     0.800     0.800 {peak  1078 spectrum    1 weight  0.10000E+01 volume  0.39321E-02 ppm1      1.213 ppm2      4.278 CV     1}
 ASSI { 1079}
   (  segid "A   " and resid 114  and name HB% )
   (( segid "A   " and resid 10   and name HD2 ))
      3.200     1.300     1.300 {peak  1079 spectrum    1 weight  0.10000E+01 volume  0.85061E-03 ppm1      1.213 ppm2      3.624 CV     1}
 ASSI { 1080}
   (  segid "A   " and resid 114  and name HB% )
   (( segid "A   " and resid 9    and name HG2 ))
      4.300     2.300     1.700 {peak  1080 spectrum    1 weight  0.10000E+01 volume  0.14568E-03 ppm1      1.214 ppm2      1.539 CV     1}
 OR { 1080}
   (  segid "A   " and resid 114  and name HB% )
   (( segid "A   " and resid 9    and name HG1 ))
 ASSI { 1081}
   (  segid "A   " and resid 114  and name HB% )
   (( segid "A   " and resid 10   and name HB1 ))
      2.800     2.800     3.200 {peak  1081 spectrum    1 weight  0.10000E+01 volume  0.18540E-02 ppm1      1.212 ppm2      2.104 CV     1}
 ASSI { 1082}
   (( segid "A   " and resid 86   and name HA  ))
   (( segid "A   " and resid 54   and name HN  ))
      2.900     1.100     1.100 {peak  1082 spectrum    1 weight  0.10000E+01 volume  0.13804E-02 ppm1      5.290 ppm2      8.722 CV     1}
 ASSI { 1084}
   (( segid "A   " and resid 42   and name HA  ))
   (  segid "A   " and resid 63   and name HD1%)
      6.000     4.800     0.000 {peak  1084 spectrum    1 weight  0.10000E+01 volume  0.16146E-04 ppm1      5.097 ppm2      0.572 CV     1}
 ASSI { 1085}
   (  segid "A   " and resid 113  and name HG2%)
   (( segid "A   " and resid 82   and name HB1 ))
      2.400     2.400     3.600 {peak  1085 spectrum    1 weight  0.10000E+01 volume  0.49610E-02 ppm1      1.301 ppm2      2.134 CV     1}
 ASSI { 1088}
   (( segid "A   " and resid 102  and name HA  ))
   (( segid "A   " and resid 103  and name HN  ))
      2.200     0.600     0.600 {peak  1088 spectrum    1 weight  0.10000E+01 volume  0.69780E-02 ppm1      4.222 ppm2      8.372 CV     1}
 ASSI { 1089}
   (( segid "A   " and resid 102  and name HA  ))
   (( segid "A   " and resid 102  and name HG2 ))
      4.000     2.000     2.000 {peak  1089 spectrum    1 weight  0.10000E+01 volume  0.23022E-03 ppm1      4.222 ppm2      3.251 CV     1}
 OR { 1089}
   (( segid "A   " and resid 102  and name HA  ))
   (( segid "A   " and resid 102  and name HG1 ))
 ASSI { 1090}
   (( segid "A   " and resid 102  and name HA  ))
   (( segid "A   " and resid 102  and name HB1 ))
      2.100     0.600     0.600 {peak  1090 spectrum    1 weight  0.10000E+01 volume  0.96267E-02 ppm1      4.222 ppm2      2.015 CV     1}
 ASSI { 1091}
   (( segid "A   " and resid 102  and name HA  ))
   (( segid "A   " and resid 102  and name HB2 ))
      2.400     0.700     0.700 {peak  1091 spectrum    1 weight  0.10000E+01 volume  0.51444E-02 ppm1      4.221 ppm2      1.668 CV     1}
 ASSI { 1092}
   (( segid "A   " and resid 102  and name HA  ))
   (( segid "A   " and resid 103  and name HB2 ))
      2.900     2.900     3.100 {peak  1092 spectrum    1 weight  0.10000E+01 volume  0.14160E-02 ppm1      4.221 ppm2      2.322 CV     1}
 ASSI { 1093}
   (( segid "A   " and resid 102  and name HG1 ))
   (( segid "A   " and resid 102  and name HB2 ))
      3.600     1.700     1.700 {peak  1093 spectrum    1 weight  0.10000E+01 volume  0.38099E-03 ppm1      3.211 ppm2      1.634 CV     1}
 OR { 1093}
   (( segid "A   " and resid 102  and name HG2 ))
   (( segid "A   " and resid 102  and name HB2 ))
 ASSI { 1094}
   (( segid "A   " and resid 102  and name HD2 ))
   (( segid "A   " and resid 102  and name HD1 ))
      2.700     0.900     0.900 {peak  1094 spectrum    1 weight  0.10000E+01 volume  0.21342E-02 ppm1      1.783 ppm2      3.200 CV     1}
 ASSI { 1095}
   (( segid "A   " and resid 102  and name HD2 ))
   (  segid "A   " and resid 101  and name HD% )
      4.300     2.300     1.700 {peak  1095 spectrum    1 weight  0.10000E+01 volume  0.14160E-03 ppm1      1.782 ppm2      7.428 CV     1}
 ASSI { 1100}
   (  segid "A   " and resid 68   and name HG2%)
   (  segid "A   " and resid 21   and name HG2%)
      3.200     3.200     2.800 {peak  1100 spectrum    1 weight  0.10000E+01 volume  0.88626E-03 ppm1     -0.075 ppm2      0.794 CV     1}
 ASSI { 1101}
   (( segid "A   " and resid 87   and name HA  ))
   (  segid "A   " and resid 55   and name HD2%)
      3.500     3.500     2.500 {peak  1101 spectrum    1 weight  0.10000E+01 volume  0.46809E-03 ppm1      4.887 ppm2      0.659 CV     1}
 ASSI { 1102}
   (( segid "A   " and resid 87   and name HA  ))
   (  segid "A   " and resid 53   and name HD2%)
      3.300     1.300     1.300 {peak  1102 spectrum    1 weight  0.10000E+01 volume  0.72837E-03 ppm1      4.888 ppm2      0.548 CV     1}
 ASSI { 1104}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 8    and name HG  ))
      3.000     1.200     1.200 {peak  1104 spectrum    1 weight  0.10000E+01 volume  0.11460E-02 ppm1      1.176 ppm2      2.150 CV     1}
 ASSI { 1105}
   (( segid "A   " and resid 10   and name HD2 ))
   (( segid "A   " and resid 10   and name HB2 ))
      3.000     1.200     1.200 {peak  1105 spectrum    1 weight  0.10000E+01 volume  0.11359E-02 ppm1      3.602 ppm2      1.925 CV     1}
 ASSI { 1106}
   (( segid "A   " and resid 12   and name HG1 ))
   (( segid "A   " and resid 9    and name HG1 ))
      3.800     1.800     1.800 {peak  1106 spectrum    1 weight  0.10000E+01 volume  0.28370E-03 ppm1      2.602 ppm2      1.563 CV     1}
 OR { 1106}
   (( segid "A   " and resid 12   and name HG1 ))
   (( segid "A   " and resid 9    and name HG2 ))
 OR { 1106}
   (( segid "A   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 9    and name HG1 ))
 ASSI { 1107}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 72   and name HG2 ))
      2.800     2.800     3.200 {peak  1107 spectrum    1 weight  0.10000E+01 volume  0.17267E-02 ppm1      5.981 ppm2      2.126 CV     1}
 ASSI { 1108}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 17   and name HA  ))
      2.500     2.500     3.500 {peak  1108 spectrum    1 weight  0.10000E+01 volume  0.38507E-02 ppm1      5.977 ppm2      4.960 CV     1}
 ASSI { 1109}
   (( segid "A   " and resid 19   and name HA  ))
   (  segid "A   " and resid 17   and name HG2%)
      2.600     2.600     3.400 {peak  1109 spectrum    1 weight  0.10000E+01 volume  0.26588E-02 ppm1      5.119 ppm2      0.683 CV     1}
 ASSI { 1110}
   (( segid "A   " and resid 19   and name HA  ))
   (  segid "A   " and resid 44   and name HG1%)
      2.200     2.200     3.800 {peak  1110 spectrum    1 weight  0.10000E+01 volume  0.89136E-02 ppm1      5.118 ppm2      0.589 CV     1}
 ASSI { 1111}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 8    and name HB2 ))
      2.500     0.800     0.800 {peak  1111 spectrum    1 weight  0.10000E+01 volume  0.33057E-02 ppm1      1.187 ppm2      1.806 CV     1}
 ASSI { 1113}
   (  segid "A   " and resid 74   and name HB% )
   (  segid "A   " and resid 85   and name HD2%)
      3.100     1.200     1.200 {peak  1113 spectrum    1 weight  0.10000E+01 volume  0.97791E-03 ppm1      1.279 ppm2      0.566 CV     1}
 ASSI { 1114}
   (  segid "A   " and resid 74   and name HB% )
   (( segid "A   " and resid 71   and name HG11))
      1.800     1.800     4.200 {peak  1114 spectrum    1 weight  0.10000E+01 volume  0.22615E-01 ppm1      1.278 ppm2      0.706 CV     1}
 ASSI { 1115}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 13   and name HB1 ))
      3.300     3.300     2.700 {peak  1115 spectrum    1 weight  0.10000E+01 volume  0.66725E-03 ppm1      5.487 ppm2      2.091 CV     1}
 OR { 1115}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 13   and name HB2 ))
 ASSI { 1116}
   (( segid "A   " and resid 78   and name HA  ))
   (( segid "A   " and resid 10   and name HB1 ))
      2.900     2.900     3.100 {peak  1116 spectrum    1 weight  0.10000E+01 volume  0.14466E-02 ppm1      5.320 ppm2      2.079 CV     1}
 ASSI { 1117}
   (  segid "A   " and resid 85   and name HD2%)
   (( segid "A   " and resid 87   and name HA  ))
      3.400     1.500     1.500 {peak  1117 spectrum    1 weight  0.10000E+01 volume  0.54500E-03 ppm1      0.628 ppm2      4.903 CV     1}
 ASSI { 1118}
   (  segid "A   " and resid 8    and name HD1%)
   (( segid "A   " and resid 83   and name HN  ))
      3.200     3.200     2.800 {peak  1118 spectrum    1 weight  0.10000E+01 volume  0.89136E-03 ppm1      0.694 ppm2      8.019 CV     1}
 ASSI { 1119}
   (( segid "A   " and resid 21   and name HB  ))
   (( segid "A   " and resid 23   and name HN  ))
      3.300     1.400     1.400 {peak  1119 spectrum    1 weight  0.10000E+01 volume  0.66215E-03 ppm1      2.409 ppm2      7.542 CV     1}
 ASSI { 1121}
   (( segid "A   " and resid 55   and name HG  ))
   (( segid "A   " and resid 55   and name HA  ))
      3.700     1.700     1.700 {peak  1121 spectrum    1 weight  0.10000E+01 volume  0.37233E-03 ppm1      1.174 ppm2      4.556 CV     1}
 ASSI { 1122}
   (( segid "A   " and resid 65   and name HA  ))
   (( segid "A   " and resid 67   and name HG2 ))
      2.700     2.700     3.300 {peak  1122 spectrum    1 weight  0.10000E+01 volume  0.20985E-02 ppm1      3.443 ppm2      2.343 CV     1}
 OR { 1122}
   (( segid "A   " and resid 65   and name HA  ))
   (( segid "A   " and resid 67   and name HG1 ))
 ASSI { 1124}
   (  segid "A   " and resid 30   and name HG2%)
   (( segid "A   " and resid 29   and name HA  ))
      3.400     1.500     1.500 {peak  1124 spectrum    1 weight  0.10000E+01 volume  0.55009E-03 ppm1      0.771 ppm2      5.288 CV     1}
 ASSI { 1125}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 16   and name HB1 ))
      2.500     2.500     3.500 {peak  1125 spectrum    1 weight  0.10000E+01 volume  0.38099E-02 ppm1      4.827 ppm2      2.983 CV     1}
 ASSI { 1126}
   (( segid "A   " and resid 10   and name HA  ))
   (  segid "A   " and resid 8    and name HD2%)
      2.600     2.600     3.400 {peak  1126 spectrum    1 weight  0.10000E+01 volume  0.31070E-02 ppm1      4.023 ppm2      0.783 CV     1}
 ASSI { 1127}
   (( segid "A   " and resid 75   and name HA  ))
   (  segid "A   " and resid 15   and name HG2%)
      3.500     1.500     1.500 {peak  1127 spectrum    1 weight  0.10000E+01 volume  0.51953E-03 ppm1      5.491 ppm2      0.742 CV     1}
 ASSI { 1128}
   (  segid "A   " and resid 44   and name HG2%)
   (( segid "A   " and resid 20   and name HN  ))
      6.000     4.600     0.000 {peak  1128 spectrum    1 weight  0.10000E+01 volume  0.17674E-04 ppm1      0.725 ppm2      9.291 CV     1}
 ASSI { 1129}
   (  segid "A   " and resid 15   and name HG1%)
   (( segid "A   " and resid 76   and name HN  ))
      3.700     1.700     1.700 {peak  1129 spectrum    1 weight  0.10000E+01 volume  0.36927E-03 ppm1      0.861 ppm2      9.085 CV     1}
 ASSI { 1130}
   (( segid "A   " and resid 45   and name HA2 ))
   (  segid "A   " and resid 51   and name HG1%)
      3.500     1.500     1.500 {peak  1130 spectrum    1 weight  0.10000E+01 volume  0.49916E-03 ppm1      5.057 ppm2      0.618 CV     1}
 ASSI { 1131}
   (  segid "A   " and resid 27   and name HB% )
   (( segid "A   " and resid 61   and name HA2 ))
      2.500     0.800     0.800 {peak  1131 spectrum    1 weight  0.10000E+01 volume  0.36214E-02 ppm1      1.111 ppm2      4.010 CV     1}
 ASSI { 1132}
   (( segid "A   " and resid 9    and name HA  ))
   (  segid "A   " and resid 114  and name HB% )
      6.000     6.000     0.000 {peak  1132 spectrum    1 weight  0.10000E+01 volume  0.79459E-05 ppm1      4.803 ppm2      1.199 CV     1}
 ASSI { 1133}
   (( segid "A   " and resid 44   and name HA  ))
   (( segid "A   " and resid 22   and name HB2 ))
      3.700     1.700     1.700 {peak  1133 spectrum    1 weight  0.10000E+01 volume  0.36266E-03 ppm1      5.627 ppm2      1.569 CV     1}
 ASSI { 1134}
   (  segid "A   " and resid 15   and name HG2%)
   (( segid "A   " and resid 86   and name HN  ))
      3.500     1.500     1.500 {peak  1134 spectrum    1 weight  0.10000E+01 volume  0.52972E-03 ppm1      0.730 ppm2      8.240 CV     1}
 ASSI { 1135}
   (( segid "A   " and resid 73   and name HB2 ))
   (( segid "A   " and resid 72   and name HB1 ))
      5.300     3.500     0.700 {peak  1135 spectrum    1 weight  0.10000E+01 volume  0.40595E-04 ppm1      3.782 ppm2      1.898 CV     1}
 ASSI { 1136}
   (  segid "A   " and resid 44   and name HG1%)
   (( segid "A   " and resid 20   and name HA  ))
      3.300     3.300     2.700 {peak  1136 spectrum    1 weight  0.10000E+01 volume  0.75383E-03 ppm1      0.645 ppm2      5.125 CV     1}
 ASSI { 1137}
   (( segid "A   " and resid 25   and name HA  ))
   (( segid "A   " and resid 26   and name HA  ))
      1.900     1.900     4.100 {peak  1137 spectrum    1 weight  0.10000E+01 volume  0.18387E-01 ppm1      4.797 ppm2      4.362 CV     1}
 ASSI { 1138}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 2    and name HB1 ))
      4.100     2.100     1.900 {peak  1138 spectrum    1 weight  0.10000E+01 volume  0.18082E-03 ppm1      4.819 ppm2      1.987 CV     1}
 ASSI { 1139}
   (  segid "A   " and resid 69   and name HG2%)
   (( segid "A   " and resid 95   and name HA  ))
      3.200     1.300     1.300 {peak  1139 spectrum    1 weight  0.10000E+01 volume  0.82514E-03 ppm1      0.582 ppm2      4.335 CV     1}
 ASSI { 1140}
   (  segid "A   " and resid 21   and name HG1%)
   (( segid "A   " and resid 22   and name HA  ))
      4.000     2.000     2.000 {peak  1140 spectrum    1 weight  0.10000E+01 volume  0.21342E-03 ppm1      0.583 ppm2      4.417 CV     1}
 ASSI { 1141}
   (  segid "A   " and resid 19   and name HG1%)
   (( segid "A   " and resid 20   and name HA  ))
      3.200     1.300     1.300 {peak  1141 spectrum    1 weight  0.10000E+01 volume  0.82005E-03 ppm1      0.613 ppm2      5.072 CV     1}
 ASSI { 1142}
   (( segid "A   " and resid 44   and name HB  ))
   (  segid "A   " and resid 69   and name HG2%)
      2.200     2.200     3.800 {peak  1142 spectrum    1 weight  0.10000E+01 volume  0.69780E-02 ppm1      1.968 ppm2      0.560 CV     1}
 ASSI {    7}
   (( segid "A   " and resid 56   and name HH2 ))
   (  segid "A   " and resid 32   and name HG2%)
      3.200     1.300     1.300 {peak     7 spectrum    1 weight  0.10000E+01 volume  0.85314E-03 ppm1      6.867 ppm2      1.258 CV     1}
 ASSI {    9}
   (  segid "A   " and resid 79   and name HD% )
   (( segid "A   " and resid 79   and name HB2 ))
      2.600     0.800     0.800 {peak     9 spectrum    1 weight  0.10000E+01 volume  0.32904E-02 ppm1      7.172 ppm2      2.944 CV     1}
 ASSI {   10}
   (  segid "A   " and resid 79   and name HD% )
   (( segid "A   " and resid 80   and name HB2 ))
      2.600     0.800     0.800 {peak    10 spectrum    1 weight  0.10000E+01 volume  0.32904E-02 ppm1      7.174 ppm2      1.378 CV     1}
 ASSI {    1}
   (  segid "A   " and resid 32   and name HG2%)
   (( segid "A   " and resid 37   and name HB2 ))
      2.500     2.500     3.500 {peak     1 spectrum    1 weight  0.10000E+01 volume  0.36314E-02 ppm1      1.262 ppm2      1.786 CV     1}
 ASSI {    3}
   (  segid "A   " and resid 39   and name HG2%)
   (( segid "A   " and resid 56   and name HH2 ))
      4.600     2.700     1.400 {peak     3 spectrum    1 weight  0.10000E+01 volume  0.88061E-04 ppm1      0.022 ppm2      6.884 CV     1}
 ASSI {    5}
   (  segid "A   " and resid 39   and name HD1%)
   (( segid "A   " and resid 30   and name HB  ))
      2.800     2.800     3.200 {peak     5 spectrum    1 weight  0.10000E+01 volume  0.19791E-02 ppm1      0.145 ppm2      1.783 CV     1}
 ASSI {    6}
   (  segid "A   " and resid 30   and name HD1%)
   (( segid "A   " and resid 30   and name HB  ))
      2.800     1.000     1.000 {peak     6 spectrum    1 weight  0.10000E+01 volume  0.19428E-02 ppm1      0.665 ppm2      1.771 CV     1}
 ASSI {    7}
   (  segid "A   " and resid 77   and name HG2%)
   (( segid "A   " and resid 75   and name HE3 ))
      3.600     3.600     2.400 {peak     7 spectrum    1 weight  0.10000E+01 volume  0.41034E-03 ppm1      1.453 ppm2      7.434 CV     1}
 ASSI {    9}
   (  segid "A   " and resid 30   and name HG2%)
   (( segid "A   " and resid 56   and name HE3 ))
      4.300     2.300     1.700 {peak     9 spectrum    1 weight  0.10000E+01 volume  0.14508E-03 ppm1      0.772 ppm2      7.461 CV     1}
 ASSI {   10}
   (  segid "A   " and resid 32   and name HG2%)
   (( segid "A   " and resid 56   and name HZ3 ))
      4.000     2.000     2.000 {peak    10 spectrum    1 weight  0.10000E+01 volume  0.21970E-03 ppm1      1.260 ppm2      6.605 CV     1}
 ASSI {   11}
   (  segid "A   " and resid 30   and name HD1%)
   (( segid "A   " and resid 30   and name HA  ))
      3.900     1.900     1.900 {peak    11 spectrum    1 weight  0.10000E+01 volume  0.26691E-03 ppm1      0.666 ppm2      4.733 CV     1}
 ASSI {   12}
   (  segid "A   " and resid 30   and name HD1%)
   (  segid "A   " and resid 32   and name HG2%)
      2.900     1.000     1.000 {peak    12 spectrum    1 weight  0.10000E+01 volume  0.15270E-02 ppm1      0.666 ppm2      1.286 CV     1}
 ASSI {   13}
   (  segid "A   " and resid 32   and name HG2%)
   (( segid "A   " and resid 35   and name HN  ))
      3.300     1.400     1.400 {peak    13 spectrum    1 weight  0.10000E+01 volume  0.69359E-03 ppm1      1.266 ppm2      7.416 CV     1}
 ASSI {   14}
   (  segid "A   " and resid 32   and name HG2%)
   (( segid "A   " and resid 32   and name HA  ))
      1.900     0.500     0.500 {peak    14 spectrum    1 weight  0.10000E+01 volume  0.18520E-01 ppm1      1.262 ppm2      5.027 CV     1}
 ASSI {   15}
   (  segid "A   " and resid 39   and name HD1%)
   (( segid "A   " and resid 28   and name HD1 ))
      4.000     2.000     2.000 {peak    15 spectrum    1 weight  0.10000E+01 volume  0.21062E-03 ppm1      0.147 ppm2      3.094 CV     1}
 OR {   15}
   (  segid "A   " and resid 39   and name HD1%)
   (( segid "A   " and resid 28   and name HD2 ))
 ASSI {   16}
   (( segid "A   " and resid 80   and name HE1 ))
   (  segid "A   " and resid 79   and name HD% )
      2.500     0.800     0.800 {peak    16 spectrum    1 weight  0.10000E+01 volume  0.36495E-02 ppm1      2.809 ppm2      7.203 CV     1}
 OR {   16}
   (( segid "A   " and resid 80   and name HE2 ))
   (  segid "A   " and resid 79   and name HD% )
 ASSI {   17}
   (  segid "A   " and resid 54   and name HG2%)
   (( segid "A   " and resid 53   and name HA  ))
      4.000     2.000     2.000 {peak    17 spectrum    1 weight  0.10000E+01 volume  0.21970E-03 ppm1      0.203 ppm2      5.064 CV     1}
 ASSI {   19}
   (  segid "A   " and resid 54   and name HG2%)
   (( segid "A   " and resid 52   and name HB1 ))
      2.900     2.900     3.100 {peak    19 spectrum    1 weight  0.10000E+01 volume  0.15197E-02 ppm1      0.202 ppm2      1.891 CV     1}
 ASSI {   20}
   (  segid "A   " and resid 54   and name HG2%)
   (( segid "A   " and resid 52   and name HB2 ))
      3.200     3.200     2.800 {peak    20 spectrum    1 weight  0.10000E+01 volume  0.78256E-03 ppm1      0.201 ppm2      1.662 CV     1}
 ASSI {   21}
   (  segid "A   " and resid 30   and name HD1%)
   (  segid "A   " and resid 30   and name HG2%)
      2.400     0.700     0.700 {peak    21 spectrum    1 weight  0.10000E+01 volume  0.45210E-02 ppm1      0.663 ppm2      0.758 CV     1}
 ASSI {   22}
   (  segid "A   " and resid 30   and name HD1%)
   (  segid "A   " and resid 39   and name HD1%)
      2.900     1.000     1.000 {peak    22 spectrum    1 weight  0.10000E+01 volume  0.15161E-02 ppm1      0.667 ppm2      0.115 CV     1}
 ASSI {   25}
   (  segid "A   " and resid 30   and name HG2%)
   (( segid "A   " and resid 28   and name HD2 ))
      3.300     1.400     1.400 {peak    25 spectrum    1 weight  0.10000E+01 volume  0.66273E-03 ppm1      0.775 ppm2      3.103 CV     1}
 OR {   25}
   (  segid "A   " and resid 30   and name HG2%)
   (( segid "A   " and resid 28   and name HD1 ))
 ASSI {   26}
   (  segid "A   " and resid 30   and name HG2%)
   (( segid "A   " and resid 29   and name HG2 ))
      3.700     1.800     1.800 {peak    26 spectrum    1 weight  0.10000E+01 volume  0.31774E-03 ppm1      0.776 ppm2      2.312 CV     1}
 ASSI {   28}
   (  segid "A   " and resid 30   and name HG2%)
   (  segid "A   " and resid 32   and name HG2%)
      2.800     2.800     3.200 {peak    28 spectrum    1 weight  0.10000E+01 volume  0.19791E-02 ppm1      0.774 ppm2      1.313 CV     1}
 ASSI {   29}
   (  segid "A   " and resid 30   and name HG2%)
   (( segid "A   " and resid 39   and name HG12))
      3.700     1.700     1.700 {peak    29 spectrum    1 weight  0.10000E+01 volume  0.32682E-03 ppm1      0.770 ppm2      0.429 CV     1}
 ASSI {   32}
   (  segid "A   " and resid 30   and name HG2%)
   (( segid "A   " and resid 37   and name HG1 ))
      3.600     1.600     1.600 {peak    32 spectrum    1 weight  0.10000E+01 volume  0.43576E-03 ppm1      0.774 ppm2      1.661 CV     1}
 ASSI {   33}
   (  segid "A   " and resid 32   and name HG2%)
   (( segid "A   " and resid 34   and name HB2 ))
      3.200     1.300     1.300 {peak    33 spectrum    1 weight  0.10000E+01 volume  0.82795E-03 ppm1      1.260 ppm2      2.422 CV     1}
 ASSI {   34}
   (  segid "A   " and resid 32   and name HG2%)
   (( segid "A   " and resid 35   and name HA2 ))
      3.300     3.300     2.700 {peak    34 spectrum    1 weight  0.10000E+01 volume  0.70993E-03 ppm1      1.261 ppm2      3.861 CV     1}
 ASSI {   35}
   (  segid "A   " and resid 32   and name HG2%)
   (( segid "A   " and resid 33   and name HA  ))
      3.200     3.200     2.800 {peak    35 spectrum    1 weight  0.10000E+01 volume  0.75896E-03 ppm1      1.262 ppm2      4.149 CV     1}
 ASSI {   39}
   (  segid "A   " and resid 39   and name HD1%)
   (  segid "A   " and resid 54   and name HG2%)
      2.400     0.700     0.700 {peak    39 spectrum    1 weight  0.10000E+01 volume  0.48115E-02 ppm1      0.148 ppm2      0.188 CV     1}
 ASSI {   40}
   (  segid "A   " and resid 39   and name HG2%)
   (  segid "A   " and resid 39   and name HD1%)
      2.500     0.800     0.800 {peak    40 spectrum    1 weight  0.10000E+01 volume  0.33953E-02 ppm1      0.023 ppm2      0.147 CV     1}
 ASSI {   42}
   (  segid "A   " and resid 39   and name HG2%)
   (  segid "A   " and resid 30   and name HD1%)
      2.700     0.900     0.900 {peak    42 spectrum    1 weight  0.10000E+01 volume  0.23422E-02 ppm1      0.023 ppm2      0.705 CV     1}
 ASSI {   44}
   (  segid "A   " and resid 39   and name HG2%)
   (( segid "A   " and resid 37   and name HB2 ))
      3.000     1.100     1.100 {peak    44 spectrum    1 weight  0.10000E+01 volume  0.11402E-02 ppm1      0.023 ppm2      1.762 CV     1}
 ASSI {   45}
   (  segid "A   " and resid 39   and name HG2%)
   (( segid "A   " and resid 37   and name HB1 ))
      3.800     1.800     1.800 {peak    45 spectrum    1 weight  0.10000E+01 volume  0.28869E-03 ppm1      0.023 ppm2      2.048 CV     1}
 ASSI {   49}
   (  segid "A   " and resid 39   and name HG2%)
   (( segid "A   " and resid 38   and name HB  ))
      3.600     1.600     1.600 {peak    49 spectrum    1 weight  0.10000E+01 volume  0.41761E-03 ppm1      0.026 ppm2      3.930 CV     1}
 ASSI {   50}
   (  segid "A   " and resid 39   and name HG2%)
   (( segid "A   " and resid 37   and name HG1 ))
      4.400     2.500     1.600 {peak    50 spectrum    1 weight  0.10000E+01 volume  0.11311E-03 ppm1      0.023 ppm2      1.678 CV     1}
 ASSI {   54}
   (  segid "A   " and resid 54   and name HG2%)
   (( segid "A   " and resid 56   and name HE3 ))
      4.100     2.100     1.900 {peak    54 spectrum    1 weight  0.10000E+01 volume  0.18883E-03 ppm1      0.202 ppm2      7.523 CV     1}
 ASSI {   56}
   (  segid "A   " and resid 54   and name HG2%)
   (( segid "A   " and resid 54   and name HA  ))
      2.400     0.700     0.700 {peak    56 spectrum    1 weight  0.10000E+01 volume  0.50295E-02 ppm1      0.203 ppm2      4.471 CV     1}
 ASSI {   58}
   (  segid "A   " and resid 54   and name HG2%)
   (( segid "A   " and resid 55   and name HG  ))
      3.200     3.200     2.800 {peak    58 spectrum    1 weight  0.10000E+01 volume  0.88424E-03 ppm1      0.203 ppm2      1.180 CV     1}
 ASSI {   59}
   (  segid "A   " and resid 54   and name HG2%)
   (  segid "A   " and resid 30   and name HG2%)
      3.400     1.400     1.400 {peak    59 spectrum    1 weight  0.10000E+01 volume  0.56286E-03 ppm1      0.203 ppm2      0.745 CV     1}
 ASSI {   61}
   (  segid "A   " and resid 54   and name HG2%)
   (  segid "A   " and resid 39   and name HG2%)
      6.000     6.000     0.000 {peak    61 spectrum    1 weight  0.10000E+01 volume  0.67907E-05 ppm1      0.203 ppm2      0.065 CV     1}
 ASSI {   63}
   (  segid "A   " and resid 77   and name HG2%)
   (( segid "A   " and resid 75   and name HB2 ))
      3.800     1.800     1.800 {peak    63 spectrum    1 weight  0.10000E+01 volume  0.30322E-03 ppm1      1.455 ppm2      3.789 CV     1}
 ASSI {   66}
   (  segid "A   " and resid 78   and name HB% )
   (( segid "A   " and resid 10   and name HB1 ))
      2.400     0.700     0.700 {peak    66 spectrum    1 weight  0.10000E+01 volume  0.46300E-02 ppm1      1.232 ppm2      2.089 CV     1}
 ASSI {   67}
   (  segid "A   " and resid 78   and name HB% )
   (( segid "A   " and resid 10   and name HG2 ))
      2.800     1.000     1.000 {peak    67 spectrum    1 weight  0.10000E+01 volume  0.19246E-02 ppm1      1.235 ppm2      1.808 CV     1}
 ASSI {   68}
   (( segid "A   " and resid 80   and name HE1 ))
   (( segid "A   " and resid 80   and name HG2 ))
      2.300     0.600     0.600 {peak    68 spectrum    1 weight  0.10000E+01 volume  0.63185E-02 ppm1      2.803 ppm2      0.726 CV     1}
 OR {   68}
   (( segid "A   " and resid 80   and name HE2 ))
   (( segid "A   " and resid 80   and name HG2 ))
 ASSI {   69}
   (( segid "A   " and resid 80   and name HE1 ))
   (( segid "A   " and resid 80   and name HG1 ))
      2.500     0.800     0.800 {peak    69 spectrum    1 weight  0.10000E+01 volume  0.33953E-02 ppm1      2.800 ppm2      0.432 CV     1}
 OR {   69}
   (( segid "A   " and resid 80   and name HE2 ))
   (( segid "A   " and resid 80   and name HG1 ))
 ASSI {   71}
   (( segid "A   " and resid 86   and name HB2 ))
   (( segid "A   " and resid 56   and name HD1 ))
      2.700     0.900     0.900 {peak    71 spectrum    1 weight  0.10000E+01 volume  0.23604E-02 ppm1      0.452 ppm2      6.918 CV     1}
 ASSI {   72}
   (( segid "A   " and resid 86   and name HB1 ))
   (( segid "A   " and resid 56   and name HD1 ))
      3.300     1.300     1.300 {peak    72 spectrum    1 weight  0.10000E+01 volume  0.70449E-03 ppm1      0.908 ppm2      6.907 CV     1}


! 4+31+14 NOEs = 49 NOEs
!
! 15N NOESY
!
assign ( resid 2  and segid B and name H7#)
       ( resid 75  and segid A and name HE1)
        6.0 6.0 0.0
!
assign ( resid 2  and segid B and name H1')
       ( resid 75  and segid A and name HE1)
        6.0 6.0 0.0
!
assign ( resid 3  and segid B and name H4')
       ( resid 37  and segid A and name HE)
        6.0 6.0 0.0
!
assign ( resid 3  and segid B and name H7#)
       ( resid 56  and segid A and name HE1)
        6.0 6.0 0.0
!
! 13C NOESY filtered arom
!
assign ( resid 2  and segid B and name H1')
       ( resid 75  and segid A and name HH2)
        6.0 6.0 0.0
!
assign ( resid 2  and segid B and name H1')
       ( resid 75  and segid A and name HZ2)
        6.0 6.0 0.0
!
assign ( resid 2  and segid B and name H2'')
       ( resid 75  and segid A and name HH2)
        6.0 6.0 0.0
!
assign ( resid 2  and segid B and name H2'')
       ( resid 75  and segid A and name HZ2)
        6.0 6.0 0.0
!
assign ( resid 2  and segid B and name H3')
       ( resid 75  and segid A and name HH2)
        6.0 6.0 0.0
!
assign ( resid 2  and segid B and name H3')
       ( resid 75  and segid A and name HZ2)
        6.0 6.0 0.0
!
assign ( resid 2  and segid B and name H4')
       ( resid 56  and segid A and name HH2)
        6.0 6.0 0.0
!
assign ( resid 2  and segid B and name H4')
       ( resid 75  and segid A and name HH2)
        6.0 6.0 0.0
!
assign ( resid 2  and segid B and name H4')
       ( resid 75  and segid A and name HZ2)
        6.0 6.0 0.0
!
assign ( resid 2  and segid B and name H6)
       ( resid 75  and segid A and name HH2)
        6.0 6.0 0.0
!
assign ( resid 2  and segid B and name H6)
       ( resid 75  and segid A and name HZ2)
        6.0 6.0 0.0
!
assign ( resid 2  and segid B and name H7#)
       ( resid 75  and segid A and name HH2)
        6.0 6.0 0.0
!
assign ( resid 2  and segid B and name H7#)
       ( resid 75  and segid A and name HZ2)
        6.0 6.0 0.0
!
assign ( resid 3  and segid B and name H1')
       ( resid 56  and segid A and name HH2)
        6.0 6.0 0.0
!
assign ( resid 3  and segid B and name H1')
       ( resid 56  and segid A and name HZ2)
        6.0 6.0 0.0
!
assign ( resid 3  and segid B and name H2')
       ( resid 56  and segid A and name HH2)
        6.0 6.0 0.0
!
assign ( resid 3  and segid B and name H2')
       ( resid 56  and segid A and name HZ2)
        6.0 6.0 0.0
!
assign ( resid 3  and segid B and name H2'')
       ( resid 56  and segid A and name HH2)
        6.0 6.0 0.0
!
assign ( resid 3  and segid B and name H3')
       ( resid 56  and segid A and name HH2)
        6.0 6.0 0.0
!
assign ( resid 3  and segid B and name H3')
       ( resid 56  and segid A and name HZ2)
        6.0 6.0 0.0
!
assign ( resid 3  and segid B and name H4')
       ( resid 56  and segid A and name HH2)
        6.0 6.0 0.0
!
assign ( resid 3  and segid B and name H4')
       ( resid 56  and segid A and name HZ2)
        6.0 6.0 0.0
!
assign ( resid 3  and segid B and name H6)
       ( resid 56  and segid A and name HH2)
        6.0 6.0 0.0
!
assign ( resid 3  and segid B and name H7#)
       ( resid 56  and segid A and name HH2)
        6.0 6.0 0.0
!
assign ( resid 3  and segid B and name H7#)
       ( resid 56  and segid A and name HZ2)
        6.0 6.0 0.0
!
assign ( resid 5  and segid B and name H1')
       ( resid 79  and segid A and name HD#)
        6.0 6.0 0.0
!
assign ( resid 5  and segid B and name H1')
       ( resid 79  and segid A and name HE#)
        6.0 6.0 0.0
!
assign ( resid 5  and segid B and name H2')
       ( resid 79  and segid A and name HE#)
        6.0 6.0 0.0
!
assign ( resid 5  and segid B and name H2'')
       ( resid 79  and segid A and name HE#)
        6.0 6.0 0.0
!
assign ( resid 5  and segid B and name H7#)
       ( resid 79  and segid A and name HD1#)
        6.0 6.0 0.0
!
assign ( resid 5  and segid B and name H7#)
       ( resid 79  and segid A and name HE#)
        6.0 6.0 0.0
!
! 13C NOESY filtered aliphat
!
assign ( resid 3  and segid B and name H1')
       ( resid 32  and segid A and name HG2#)
        6.0 6.0 0.0
!
assign ( resid 3  and segid B and name H6)
       ( resid 30  and segid A and name HD1#)
        6.0 6.0 0.0
!
assign ( resid 3  and segid B and name H6)
       ( resid 32  and segid A and name HG2#)
        6.0 6.0 0.0
!
assign ( resid 4  and segid B and name H1')
       ( resid 30  and segid A and name HD1#)
        6.0 6.0 0.0
!
assign ( resid 4  and segid B and name H1')
       ( resid 30  and segid A and name HG2#)
        6.0 6.0 0.0
!
assign ( resid 4  and segid B and name H1')
       ( resid 39  and segid A and name HD1#)
        6.0 6.0 0.0
!
assign ( resid 4  and segid B and name H1')
       ( resid 39  and segid A and name HG2#)
        6.0 6.0 0.0
!
assign ( resid 4  and segid B and name H2')
       ( resid 30  and segid A and name HD1#)
        6.0 6.0 0.0
!
assign ( resid 4  and segid B and name H4')
       ( resid 30  and segid A and name HD1#)
        6.0 6.0 0.0
!
assign ( resid 4  and segid B and name H4')
       ( resid 30  and segid A and name HG2#)
        6.0 6.0 0.0
!
assign ( resid 4  and segid B and name H6)
       ( resid 30  and segid A and name HD1#)
        6.0 6.0 0.0
!
assign ( resid 4  and segid B and name H6)
       ( resid 39  and segid A and name HD1#)
        6.0 6.0 0.0
!
assign ( resid 4  and segid B and name H7#)
       ( resid 54  and segid A and name HG2#)
        6.0 6.0 0.0
!
assign ( resid 4  and segid B and name H7#)
       ( resid 77  and segid A and name HG2#)
        6.0 6.0 0.0
!
!ambig.tbl
!
! HADDOCK AIR restraints for ssoSSB
!
!
assign ( resid 28  and segid A and (name HE* or name HH*))
       (
        ( resid 1  and segid B and (name O* or name N*))
     or
        ( resid 2  and segid B and (name O* or name N*))
     or
        ( resid 3  and segid B and (name O* or name N*))
     or
        ( resid 4  and segid B and (name O* or name N*))
     or
        ( resid 5  and segid B and (name O* or name N*))
     or
        ( resid 6  and segid B and (name O* or name N*))
       )  2.0 2.0 0.0
!
assign ( resid 37  and segid A and (name HE* or name HH*))
       (
        ( resid 1  and segid B and (name O* or name N*))
     or
        ( resid 2  and segid B and (name O* or name N*))
     or
        ( resid 3  and segid B and (name O* or name N*))
     or
        ( resid 4  and segid B and (name O* or name N*))
     or
        ( resid 5  and segid B and (name O* or name N*))
     or
        ( resid 6  and segid B and (name O* or name N*))
       )  2.0 2.0 0.0
!
assign ( resid 54  and segid A and name HG*)
       (
        ( resid 1  and segid B and (name O* or name N*))
     or
        ( resid 2  and segid B and (name O* or name N*))
     or
        ( resid 3  and segid B and (name O* or name N*))
     or
        ( resid 4  and segid B and (name O* or name N*))
     or
        ( resid 5  and segid B and (name O* or name N*))
     or
        ( resid 6  and segid B and (name O* or name N*))
       )  2.0 2.0 0.0
!
assign ( resid 84  and segid A and name HZ*)
       (
        ( resid 1  and segid B and (name O* or name N*))
     or
        ( resid 2  and segid B and (name O* or name N*))
     or
        ( resid 3  and segid B and (name O* or name N*))
     or
        ( resid 4  and segid B and (name O* or name N*))
     or
        ( resid 5  and segid B and (name O* or name N*))
     or
        ( resid 6  and segid B and (name O* or name N*))
       )  2.0 2.0 0.0
!
assign ( resid 86  and segid A and name HD*)
       (
        ( resid 1  and segid B and (name O* or name N*))
     or
        ( resid 2  and segid B and (name O* or name N*))
     or
        ( resid 3  and segid B and (name O* or name N*))
     or
        ( resid 4  and segid B and (name O* or name N*))
     or
        ( resid 5  and segid B and (name O* or name N*))
     or
        ( resid 6  and segid B and (name O* or name N*))
       )  2.0 2.0 0.0
!
assign ( resid 90  and segid A and name HZ*)
       (
        ( resid 1  and segid B and (name O* or name N*))
     or
        ( resid 2  and segid B and (name O* or name N*))
     or
        ( resid 3  and segid B and (name O* or name N*))
     or
        ( resid 4  and segid B and (name O* or name N*))
     or
        ( resid 5  and segid B and (name O* or name N*))
     or
        ( resid 6  and segid B and (name O* or name N*))
       )  2.0 2.0 0.0
!
! HADDOCK AIR restraints for ssDNA
!
!
assign ( resid 1  and segid B)
       (
        ( resid 28  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 56  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 79  and segid A)
     or
        ( resid 84  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 90  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 2  and segid B)
       (
        ( resid 28  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 56  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 79  and segid A)
     or
        ( resid 84  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 90  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 3  and segid B)
       (
        ( resid 28  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 56  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 79  and segid A)
     or
        ( resid 84  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 90  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 4  and segid B)
        (
        ( resid 28  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 56  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 79  and segid A)
     or
        ( resid 84  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 90  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 5  and segid B)
       (
        ( resid 28  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 56  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 79  and segid A)
     or
        ( resid 84  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 90  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 6  and segid B)
       (
        ( resid 28  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 56  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 79  and segid A)
     or
        ( resid 84  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 90  and segid A)
       )  2.0 2.0 0.0
!
!
! base stacking between THY2/W75, THY3/W56 and THY5/Y79
!
!
assign ( resid 2  and segid B and name N1)
       (
        ( resid 75  and segid A and name CD2)
     or
        ( resid 75  and segid A and name CE2)
     or
        ( resid 75  and segid A and name CE3)
     or
        ( resid 75  and segid A and name CZ2)
     or
        ( resid 75  and segid A and name CZ3) 
     or
        ( resid 75  and segid A and name CH2)
       )  2.0 2.0 0.0
!
assign ( resid 2  and segid B and name C2)
       (
        ( resid 75  and segid A and name CD2)
     or
        ( resid 75  and segid A and name CE2)
     or
        ( resid 75  and segid A and name CE3)
     or
        ( resid 75  and segid A and name CZ2)
     or
        ( resid 75  and segid A and name CZ3) 
     or
        ( resid 75  and segid A and name CH2)
       )  2.0 2.0 0.0
!
assign ( resid 2  and segid B and name N3)
       (
        ( resid 75  and segid A and name CD2)
     or
        ( resid 75  and segid A and name CE2)
     or
        ( resid 75  and segid A and name CE3)
     or
        ( resid 75  and segid A and name CZ2)
     or
        ( resid 75  and segid A and name CZ3) 
     or
        ( resid 75  and segid A and name CH2)
       )  2.0 2.0 0.0
!
assign ( resid 2  and segid B and name C4)
       (
        ( resid 75  and segid A and name CD2)
     or
        ( resid 75  and segid A and name CE2)
     or
        ( resid 75  and segid A and name CE3)
     or
        ( resid 75  and segid A and name CZ2)
     or
        ( resid 75  and segid A and name CZ3) 
     or
        ( resid 75  and segid A and name CH2)
       )  2.0 2.0 0.0
!
assign ( resid 2  and segid B and name C5)
       (
        ( resid 75  and segid A and name CD2)
     or
        ( resid 75  and segid A and name CE2)
     or
        ( resid 75  and segid A and name CE3)
     or
        ( resid 75  and segid A and name CZ2)
     or
        ( resid 75  and segid A and name CZ3) 
     or
        ( resid 75  and segid A and name CH2)
       )  2.0 2.0 0.0
!
assign ( resid 2  and segid B and name C6)
       (
        ( resid 75  and segid A and name CD2)
     or
        ( resid 75  and segid A and name CE2)
     or
        ( resid 75  and segid A and name CE3)
     or
        ( resid 75  and segid A and name CZ2)
     or
        ( resid 75  and segid A and name CZ3) 
     or
        ( resid 75  and segid A and name CH2)
       )  2.0 2.0 0.0
!
assign ( resid 3  and segid B and name N1)
       (
        ( resid 56  and segid A and name CD2)
     or
        ( resid 56  and segid A and name CE2)
     or
        ( resid 56  and segid A and name CE3)
     or
        ( resid 56  and segid A and name CZ2)
     or
        ( resid 56  and segid A and name CZ3) 
     or
        ( resid 56  and segid A and name CH2)
       )  2.0 2.0 0.0
!
assign ( resid 3  and segid B and name C2)
       (
        ( resid 56  and segid A and name CD2)
     or
        ( resid 56  and segid A and name CE2)
     or
        ( resid 56  and segid A and name CE3)
     or
        ( resid 56  and segid A and name CZ2)
     or
        ( resid 56  and segid A and name CZ3) 
     or
        ( resid 56  and segid A and name CH2)
       )  2.0 2.0 0.0
!
assign ( resid 3  and segid B and name N3)
       (
        ( resid 56  and segid A and name CD2)
     or
        ( resid 56  and segid A and name CE2)
     or
        ( resid 56  and segid A and name CE3)
     or
        ( resid 56  and segid A and name CZ2)
     or
        ( resid 56  and segid A and name CZ3) 
     or
        ( resid 56  and segid A and name CH2)
       )  2.0 2.0 0.0
!
assign ( resid 3  and segid B and name C4)
       (
        ( resid 56  and segid A and name CD2)
     or
        ( resid 56  and segid A and name CE2)
     or
        ( resid 56  and segid A and name CE3)
     or
        ( resid 56  and segid A and name CZ2)
     or
        ( resid 56  and segid A and name CZ3) 
     or
        ( resid 56  and segid A and name CH2)
       )  2.0 2.0 0.0
!
assign ( resid 3  and segid B and name C5)
       (
        ( resid 56  and segid A and name CD2)
     or
        ( resid 56  and segid A and name CE2)
     or
        ( resid 56  and segid A and name CE3)
     or
        ( resid 56  and segid A and name CZ2)
     or
        ( resid 56  and segid A and name CZ3) 
     or
        ( resid 56  and segid A and name CH2)
       )  2.0 2.0 0.0
!
assign ( resid 3  and segid B and name C6)
       (
        ( resid 56  and segid A and name CD2)
     or
        ( resid 56  and segid A and name CE2)
     or
        ( resid 56  and segid A and name CE3)
     or
        ( resid 56  and segid A and name CZ2)
     or
        ( resid 56  and segid A and name CZ3) 
     or
        ( resid 56  and segid A and name CH2)
       )  2.0 2.0 0.0
!
assign ( resid 5  and segid B and name N1)
       (
        ( resid 79  and segid A and name CG)
     or
        ( resid 79  and segid A and name CD1) 
     or
        ( resid 79  and segid A and name CD2)
     or
        ( resid 79  and segid A and name CE1)
     or
        ( resid 79  and segid A and name CE2)
     or
        ( resid 79  and segid A and name CZ)
       )  2.0 2.0 0.0
!
assign ( resid 5  and segid B and name C2)
       (
        ( resid 79  and segid A and name CG)
     or
        ( resid 79  and segid A and name CD1) 
     or
        ( resid 79  and segid A and name CD2)
     or
        ( resid 79  and segid A and name CE1)
     or
        ( resid 79  and segid A and name CE2)
     or
        ( resid 79  and segid A and name CZ)
       )  2.0 2.0 0.0
!
assign ( resid 5  and segid B and name N3)
       (
        ( resid 79  and segid A and name CG)
     or
        ( resid 79  and segid A and name CD1) 
     or
        ( resid 79  and segid A and name CD2)
     or
        ( resid 79  and segid A and name CE1)
     or
        ( resid 79  and segid A and name CE2)
     or
        ( resid 79  and segid A and name CZ)
       )  2.0 2.0 0.0
!
assign ( resid 5  and segid B and name C4)
       (
        ( resid 79  and segid A and name CG)
     or
        ( resid 79  and segid A and name CD1) 
     or
        ( resid 79  and segid A and name CD2)
     or
        ( resid 79  and segid A and name CE1)
     or
        ( resid 79  and segid A and name CE2)
     or
        ( resid 79  and segid A and name CZ)
       )  2.0 2.0 0.0
!
assign ( resid 5  and segid B and name C5)
       (
        ( resid 79  and segid A and name CG)
     or
        ( resid 79  and segid A and name CD1) 
     or
        ( resid 79  and segid A and name CD2)
     or
        ( resid 79  and segid A and name CE1)
     or
        ( resid 79  and segid A and name CE2)
     or
        ( resid 79  and segid A and name CZ)
       )  2.0 2.0 0.0
!
assign ( resid 5  and segid B and name C6)
       (
        ( resid 79  and segid A and name CG)
     or
        ( resid 79  and segid A and name CD1) 
     or
        ( resid 79  and segid A and name CD2)
     or
        ( resid 79  and segid A and name CE1)
     or
        ( resid 79  and segid A and name CE2)
     or
        ( resid 79  and segid A and name CZ)
       )  2.0 2.0 0.0
!
assign ( resid 75  and segid A and name CD2)
       (
        ( resid 2  and segid B and name N1)
     or
        ( resid 2  and segid B and name C2) 
     or
        ( resid 2  and segid B and name N3)
     or
        ( resid 2  and segid B and name C4)
     or
        ( resid 2  and segid B and name C5)
     or
        ( resid 2  and segid B and name C6)
       )  2.0 2.0 0.0
!
assign ( resid 75  and segid A and name CE2)
       (
        ( resid 2  and segid B and name N1)
     or
        ( resid 2  and segid B and name C2) 
     or
        ( resid 2  and segid B and name N3)
     or
        ( resid 2  and segid B and name C4)
     or
        ( resid 2  and segid B and name C5)
     or
        ( resid 2  and segid B and name C6)
       )  2.0 2.0 0.0
!
assign ( resid 75  and segid A and name CE3)
       (
        ( resid 2  and segid B and name N1)
     or
        ( resid 2  and segid B and name C2) 
     or
        ( resid 2  and segid B and name N3)
     or
        ( resid 2  and segid B and name C4)
     or
        ( resid 2  and segid B and name C5)
     or
        ( resid 2  and segid B and name C6)
       )  2.0 2.0 0.0
!
assign ( resid 75  and segid A and name CZ2)
       (
        ( resid 2  and segid B and name N1)
     or
        ( resid 2  and segid B and name C2) 
     or
        ( resid 2  and segid B and name N3)
     or
        ( resid 2  and segid B and name C4)
     or
        ( resid 2  and segid B and name C5)
     or
        ( resid 2  and segid B and name C6)
       )  2.0 2.0 0.0
!
assign ( resid 75  and segid A and name CZ3)
       (
        ( resid 2  and segid B and name N1)
     or
        ( resid 2  and segid B and name C2) 
     or
        ( resid 2  and segid B and name N3)
     or
        ( resid 2  and segid B and name C4)
     or
        ( resid 2  and segid B and name C5)
     or
        ( resid 2  and segid B and name C6)
       )  2.0 2.0 0.0
!
assign ( resid 75  and segid A and name CH2)
       (
        ( resid 2  and segid B and name N1)
     or
        ( resid 2  and segid B and name C2) 
     or
        ( resid 2  and segid B and name N3)
     or
        ( resid 2  and segid B and name C4)
     or
        ( resid 2  and segid B and name C5)
     or
        ( resid 2  and segid B and name C6)
       )  2.0 2.0 0.0
!
assign ( resid 56  and segid A and name CD2)
       (
        ( resid 3  and segid B and name N1)
     or
        ( resid 3  and segid B and name C2) 
     or
        ( resid 3  and segid B and name N3)
     or
        ( resid 3  and segid B and name C4)
     or
        ( resid 3  and segid B and name C5)
     or
        ( resid 3  and segid B and name C6)
       )  2.0 2.0 0.0
!
assign ( resid 56  and segid A and name CE2)
       (
        ( resid 3  and segid B and name N1)
     or
        ( resid 3  and segid B and name C2) 
     or
        ( resid 3  and segid B and name N3)
     or
        ( resid 3  and segid B and name C4)
     or
        ( resid 3  and segid B and name C5)
     or
        ( resid 3  and segid B and name C6)
       )  2.0 2.0 0.0
!
assign ( resid 56  and segid A and name CE3)
       (
        ( resid 3  and segid B and name N1)
     or
        ( resid 3  and segid B and name C2) 
     or
        ( resid 3  and segid B and name N3)
     or
        ( resid 3  and segid B and name C4)
     or
        ( resid 3  and segid B and name C5)
     or
        ( resid 3  and segid B and name C6)
       )  2.0 2.0 0.0
!
assign ( resid 56  and segid A and name CZ2)
       (
        ( resid 3  and segid B and name N1)
     or
        ( resid 3  and segid B and name C2) 
     or
        ( resid 3  and segid B and name N3)
     or
        ( resid 3  and segid B and name C4)
     or
        ( resid 3  and segid B and name C5)
     or
        ( resid 3  and segid B and name C6)
       )  2.0 2.0 0.0
!
assign ( resid 56  and segid A and name CZ3)
       (
        ( resid 3  and segid B and name N1)
     or
        ( resid 3  and segid B and name C2) 
     or
        ( resid 3  and segid B and name N3)
     or
        ( resid 3  and segid B and name C4)
     or
        ( resid 3  and segid B and name C5)
     or
        ( resid 3  and segid B and name C6)
       )  2.0 2.0 0.0
!
assign ( resid 56  and segid A and name CH2)
       (
        ( resid 3  and segid B and name N1)
     or
        ( resid 3  and segid B and name C2) 
     or
        ( resid 3  and segid B and name N3)
     or
        ( resid 3  and segid B and name C4)
     or
        ( resid 3  and segid B and name C5)
     or
        ( resid 3  and segid B and name C6)
       )  2.0 2.0 0.0
!
assign ( resid 79  and segid A and name CG)
       (
        ( resid 5  and segid B and name N1)
     or
        ( resid 5  and segid B and name C2) 
     or
        ( resid 5  and segid B and name N3)
     or
        ( resid 5  and segid B and name C4)
     or
        ( resid 5  and segid B and name C5)
     or
        ( resid 5  and segid B and name C6)
       )  2.0 2.0 0.0
!
assign ( resid 79  and segid A and name CD1)
       (
        ( resid 5  and segid B and name N1)
     or
        ( resid 5  and segid B and name C2) 
     or
        ( resid 5  and segid B and name N3)
     or
        ( resid 5  and segid B and name C4)
     or
        ( resid 5  and segid B and name C5)
     or
        ( resid 5  and segid B and name C6)
       )  2.0 2.0 0.0
!
assign ( resid 79  and segid A and name CD2)
       (
        ( resid 5  and segid B and name N1)
     or
        ( resid 5  and segid B and name C2) 
     or
        ( resid 5  and segid B and name N3)
     or
        ( resid 5  and segid B and name C4)
     or
        ( resid 5  and segid B and name C5)
     or
        ( resid 5  and segid B and name C6)
       )  2.0 2.0 0.0
!
assign ( resid 79  and segid A and name CE1)
       (
        ( resid 5  and segid B and name N1)
     or
        ( resid 5  and segid B and name C2) 
     or
        ( resid 5  and segid B and name N3)
     or
        ( resid 5  and segid B and name C4)
     or
        ( resid 5  and segid B and name C5)
     or
        ( resid 5  and segid B and name C6)
       )  2.0 2.0 0.0
!
assign ( resid 79  and segid A and name CE2)
       (
        ( resid 5  and segid B and name N1)
     or
        ( resid 5  and segid B and name C2) 
     or
        ( resid 5  and segid B and name N3)
     or
        ( resid 5  and segid B and name C4)
     or
        ( resid 5  and segid B and name C5)
     or
        ( resid 5  and segid B and name C6)
       )  2.0 2.0 0.0
!
assign ( resid 79  and segid A and name CZ)
       (
        ( resid 5  and segid B and name N1)
     or
        ( resid 5  and segid B and name C2) 
     or
        ( resid 5  and segid B and name N3)
     or
        ( resid 5  and segid B and name C4)
     or
        ( resid 5  and segid B and name C5)
     or
        ( resid 5  and segid B and name C6)
       )  2.0 2.0 0.0
!





  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H5'   DT   1           H5'       DT   1 -11.185   6.350   9.013
    2   H5''   DT   1          H5''       DT   1 -11.664   5.681   7.442
    3    H4'   DT   1           H4'       DT   1 -13.176   5.741   9.746
    4    H3'   DT   1           H3'       DT   1 -13.850   5.175   6.880
    5    H2'   DT   1           H2'       DT   1 -16.190   5.243   7.404
    6   H2''   DT   1          H2''       DT   1 -15.904   5.107   9.133
    7    H1'   DT   1           H1'       DT   1 -16.075   7.450   9.102
    8    H3    DT   1           H3        DT   1 -17.868   9.785   5.757
    9    H71   DT   1           H71       DT   1 -13.448   8.986   3.645
   10    H72   DT   1           H72       DT   1 -13.630   7.216   3.701
   11    H73   DT   1           H73       DT   1 -14.746   8.195   2.719
   12    H6    DT   1           H6        DT   1 -13.983   7.036   6.074
   13   HO5'   DT   1          HO5'       DT   1 -12.694   8.141   7.745
   14    H5'   DT   2           H5'       DT   2 -14.301  -0.173   7.454
   15   H5''   DT   2          H5''       DT   2 -12.953  -0.628   8.518
   16    H4'   DT   2           H4'       DT   2 -12.813   0.389   5.678
   17    H3'   DT   2           H3'       DT   2 -12.288  -2.307   6.894
   18    H2'   DT   2           H2'       DT   2 -10.511  -2.629   5.323
   19   H2''   DT   2          H2''       DT   2 -11.067  -1.326   4.285
   20    H1'   DT   2           H1'       DT   2  -9.520  -0.001   5.473
   21    H3    DT   2           H3        DT   2  -8.130  -1.183  10.124
   22    H71   DT   2           H71       DT   2  -8.173  -5.302   7.426
   23    H72   DT   2           H72       DT   2  -6.489  -4.798   7.701
   24    H73   DT   2           H73       DT   2  -7.221  -4.611   6.090
   25    H6    DT   2           H6        DT   2  -8.727  -2.772   5.679
   26    H5'   DT   3           H5'       DT   3 -16.010  -4.253   2.317
   27   H5''   DT   3          H5''       DT   3 -14.311  -4.725   2.531
   28    H4'   DT   3           H4'       DT   3 -15.460  -2.499   1.065
   29    H3'   DT   3           H3'       DT   3 -12.987  -4.094   0.933
   30    H2'   DT   3           H2'       DT   3 -11.598  -2.232   0.758
   31   H2''   DT   3          H2''       DT   3 -12.646  -1.556  -0.483
   32    H1'   DT   3           H1'       DT   3 -13.875  -0.268   1.005
   33    H3    DT   3           H3        DT   3 -11.932   2.318   4.218
   34    H71   DT   3           H71       DT   3  -7.874   0.254   3.114
   35    H72   DT   3           H72       DT   3  -8.374  -1.213   2.239
   36    H73   DT   3           H73       DT   3  -8.474  -1.159   4.015
   37    H6    DT   3           H6        DT   3 -10.667  -1.561   1.757
   38    H5'   DT   4           H5'       DT   4 -14.933  -2.795  -2.843
   39   H5''   DT   4          H5''       DT   4 -14.354  -3.156  -4.483
   40    H4'   DT   4           H4'       DT   4 -13.834  -0.868  -3.235
   41    H3'   DT   4           H3'       DT   4 -12.446  -2.296  -5.383
   42    H2'   DT   4           H2'       DT   4 -10.282  -1.766  -4.707
   43   H2''   DT   4          H2''       DT   4 -10.742  -0.071  -4.591
   44    H1'   DT   4           H1'       DT   4 -11.157  -0.139  -2.333
   45    H3    DT   4           H3        DT   4  -6.644  -1.598  -2.044
   46    H71   DT   4           H71       DT   4  -8.682  -4.353   1.233
   47    H72   DT   4           H72       DT   4 -10.259  -4.714   0.491
   48    H73   DT   4           H73       DT   4  -8.783  -5.492  -0.130
   49    H6    DT   4           H6        DT   4 -11.036  -3.173  -1.055
   50    H5'   DT   5           H5'       DT   5 -13.315  -1.412  -8.831
   51   H5''   DT   5          H5''       DT   5 -12.992  -2.826  -7.807
   52    H4'   DT   5           H4'       DT   5 -11.649  -1.881 -10.264
   53    H3'   DT   5           H3'       DT   5 -13.037  -4.126  -9.797
   54    H2'   DT   5           H2'       DT   5 -11.682  -5.086  -8.084
   55   H2''   DT   5          H2''       DT   5 -10.921  -5.794  -9.501
   56    H1'   DT   5           H1'       DT   5  -9.138  -4.228  -9.515
   57    H3    DT   5           H3        DT   5  -6.427  -4.775  -6.021
   58    H71   DT   5           H71       DT   5  -9.747  -4.253  -2.938
   59    H72   DT   5           H72       DT   5 -11.006  -5.201  -3.763
   60    H73   DT   5           H73       DT   5 -11.030  -3.424  -3.850
   61    H6    DT   5           H6        DT   5 -11.122  -4.052  -6.386
   62    H5'   DT   6           H5'       DT   6 -10.367  -5.701 -13.953
   63   H5''   DT   6          H5''       DT   6  -9.880  -7.313 -13.389
   64    H4'   DT   6           H4'       DT   6  -9.462  -4.792 -11.793
   65    H3'   DT   6           H3'       DT   6  -7.733  -5.885 -13.967
   66   HO3'   DT   6          HO3'       DT   6  -8.850  -3.615 -13.244
   67    H2'   DT   6           H2'       DT   6  -5.761  -5.635 -12.616
   68   H2''   DT   6          H2''       DT   6  -6.579  -4.604 -11.449
   69    H1'   DT   6           H1'       DT   6  -6.813  -6.657 -10.288
   70    H3    DT   6           H3        DT   6  -4.167  -9.910 -12.163
   71    H71   DT   6           H71       DT   6  -8.551 -10.241 -14.871
   72    H72   DT   6           H72       DT   6  -9.175 -10.917 -13.348
   73    H73   DT   6           H73       DT   6  -7.830 -11.719 -14.193
   74    H6    DT   6           H6        DT   6  -8.647  -8.383 -12.753
   75    H1   MET   1           H        MET   1  11.530  -2.564  14.915
   76    H1   MET   1           HT1      MET   1  11.134  -1.477  13.680
   77    H2   MET   1           H2       MET   1  11.696  -3.025  13.296
   78    HA   MET   1           HA       MET   1   9.743  -4.034  14.224
   79    HB2  MET   1           HB2      MET   1   8.987  -1.173  14.831
   80    HB3  MET   1           HB3      MET   1   7.852  -2.514  14.893
   81    HG2  MET   1           HG2      MET   1   9.980  -3.362  16.442
   82    HG3  MET   1           HG3      MET   1   9.812  -1.652  16.833
   83    HE1  MET   1           HE1      MET   1   9.493  -3.406  19.204
   84    HE2  MET   1           HE2      MET   1   9.077  -4.834  18.255
   85    HE3  MET   1           HE3      MET   1   7.960  -4.233  19.480
   86    H    GLU   2           H        GLU   2  10.879  -2.583  11.749
   87    HA   GLU   2           HA       GLU   2   8.359  -2.553  10.226
   88    HB2  GLU   2           HB2      GLU   2   9.797  -1.130   8.582
   89    HB3  GLU   2           HB3      GLU   2   9.100  -0.368  10.004
   90    HG2  GLU   2           HG2      GLU   2  11.692  -1.441  10.618
   91    HG3  GLU   2           HG3      GLU   2  11.777  -0.382   9.212
   92    H    GLU   3           H        GLU   3   8.154  -3.988   8.633
   93    HA   GLU   3           HA       GLU   3  10.457  -5.675   8.005
   94    HB2  GLU   3           HB2      GLU   3   8.941  -7.319   7.284
   95    HB3  GLU   3           HB3      GLU   3   8.191  -6.611   8.707
   96    HG2  GLU   3           HG2      GLU   3   7.016  -5.079   6.925
   97    HG3  GLU   3           HG3      GLU   3   7.399  -6.422   5.848
   98    H    LYS   4           H        LYS   4  10.451  -6.552   5.667
   99    HA   LYS   4           HA       LYS   4  10.491  -4.164   3.884
  100    HB2  LYS   4           HB2      LYS   4  11.767  -5.867   2.406
  101    HB3  LYS   4           HB3      LYS   4  12.576  -5.137   3.786
  102    HG2  LYS   4           HG2      LYS   4  11.176  -7.703   4.237
  103    HG3  LYS   4           HG3      LYS   4  12.660  -7.741   3.285
  104    HD2  LYS   4           HD2      LYS   4  12.767  -6.150   5.766
  105    HD3  LYS   4           HD3      LYS   4  12.590  -7.892   5.982
  106    HE2  LYS   4           HE2      LYS   4  14.524  -7.825   4.098
  107    HE3  LYS   4           HE3      LYS   4  14.867  -6.326   4.959
  108    HZ1  LYS   4           HZ1      LYS   4  14.648  -9.019   6.193
  109    HZ2  LYS   4           HZ2      LYS   4  14.980  -7.581   7.021
  110    HZ3  LYS   4           HZ3      LYS   4  16.089  -8.183   5.895
  111    H    VAL   5           H        VAL   5  10.085  -4.777   1.511
  112    HA   VAL   5           HA       VAL   5   7.367  -5.633   1.308
  113    HB   VAL   5           HB       VAL   5   9.360  -5.025  -0.884
  114   HG11  VAL   5          HG11      VAL   5   7.562  -6.309  -1.797
  115   HG12  VAL   5          HG12      VAL   5   7.311  -4.619  -2.246
  116   HG13  VAL   5          HG13      VAL   5   6.366  -5.335  -0.941
  117   HG21  VAL   5          HG21      VAL   5   7.264  -3.267   0.388
  118   HG22  VAL   5          HG22      VAL   5   8.299  -2.827  -0.971
  119   HG23  VAL   5          HG23      VAL   5   9.008  -3.129   0.616
  120    H    GLY   6           H        GLY   6  10.496  -7.057   0.531
  121    HA2  GLY   6           HA2      GLY   6   9.376  -9.330  -0.823
  122    HA3  GLY   6           HA3      GLY   6  11.052  -9.125  -0.340
  123    H    ASN   7           H        ASN   7   9.165  -8.536   2.321
  124    HA   ASN   7           HA       ASN   7   9.207 -11.356   3.159
  125    HB2  ASN   7           HB2      ASN   7  11.041  -9.712   4.067
  126    HB3  ASN   7           HB3      ASN   7   9.745  -9.173   5.129
  127   HD21  ASN   7          HD21      ASN   7  10.250  -9.977   7.037
  128   HD22  ASN   7          HD22      ASN   7  10.607 -11.602   7.370
  129    H    LEU   8           H        LEU   8   7.270  -8.801   2.531
  130    HA   LEU   8           HA       LEU   8   5.555  -8.881   4.844
  131    HB2  LEU   8           HB2      LEU   8   4.439  -7.143   3.902
  132    HB3  LEU   8           HB3      LEU   8   5.936  -7.002   3.004
  133    HG   LEU   8           HG       LEU   8   4.543  -8.681   1.386
  134   HD11  LEU   8          HD11      LEU   8   2.405  -8.765   2.051
  135   HD12  LEU   8          HD12      LEU   8   2.302  -7.091   1.400
  136   HD13  LEU   8          HD13      LEU   8   2.618  -7.362   3.134
  137   HD21  LEU   8          HD21      LEU   8   5.696  -6.783   0.559
  138   HD22  LEU   8          HD22      LEU   8   4.628  -5.679   1.428
  139   HD23  LEU   8          HD23      LEU   8   4.008  -6.619   0.071
  140    H    LYS   9           H        LYS   9   3.360  -9.686   4.854
  141    HA   LYS   9           HA       LYS   9   2.639 -11.560   2.803
  142    HB2  LYS   9           HB2      LYS   9   2.110 -13.142   4.307
  143    HB3  LYS   9           HB3      LYS   9   3.685 -12.652   4.689
  144    HG2  LYS   9           HG2      LYS   9   3.039 -12.203   6.802
  145    HG3  LYS   9           HG3      LYS   9   1.763 -11.187   6.178
  146    HD2  LYS   9           HD2      LYS   9   0.431 -12.722   7.200
  147    HD3  LYS   9           HD3      LYS   9   0.680 -13.592   5.685
  148    HE2  LYS   9           HE2      LYS   9   1.483 -15.270   6.909
  149    HE3  LYS   9           HE3      LYS   9   2.890 -14.256   7.220
  150    HZ1  LYS   9           HZ1      LYS   9   1.790 -13.405   9.199
  151    HZ2  LYS   9           HZ2      LYS   9   1.941 -15.088   9.272
  152    HZ3  LYS   9           HZ3      LYS   9   0.446 -14.389   8.901
  153    HA   PRO  10           HA       PRO  10  -1.292  -9.578   3.159
  154    HB2  PRO  10           HB2      PRO  10  -2.950 -11.440   2.154
  155    HB3  PRO  10           HB3      PRO  10  -1.791 -10.576   1.172
  156    HG2  PRO  10           HG2      PRO  10  -1.625 -13.330   2.305
  157    HG3  PRO  10           HG3      PRO  10  -1.124 -12.767   0.699
  158    HD2  PRO  10           HD2      PRO  10   0.685 -13.107   2.769
  159    HD3  PRO  10           HD3      PRO  10   0.885 -12.010   1.439
  160    H    ASN  11           H        ASN  11  -3.445  -9.766   4.087
  161    HA   ASN  11           HA       ASN  11  -4.976 -10.309   5.713
  162    HB2  ASN  11           HB2      ASN  11  -3.560 -12.854   5.317
  163    HB3  ASN  11           HB3      ASN  11  -4.310 -12.682   6.901
  164   HD21  ASN  11          HD21      ASN  11  -4.892 -12.621   3.440
  165   HD22  ASN  11          HD22      ASN  11  -6.597 -13.004   3.535
  166    H    MET  12           H        MET  12  -2.359  -8.930   6.304
  167    HA   MET  12           HA       MET  12  -2.179  -9.495   9.137
  168    HB2  MET  12           HB2      MET  12  -0.346  -8.004   7.258
  169    HB3  MET  12           HB3      MET  12  -0.130  -8.133   8.951
  170    HG2  MET  12           HG2      MET  12  -0.387 -10.739   8.293
  171    HG3  MET  12           HG3      MET  12   0.378 -10.045   6.874
  172    HE1  MET  12           HE1      MET  12   2.809  -9.229   6.714
  173    HE2  MET  12           HE2      MET  12   3.789  -8.798   8.135
  174    HE3  MET  12           HE3      MET  12   2.328  -7.885   7.760
  175    H    GLU  13           H        GLU  13  -3.061  -8.136  10.549
  176    HA   GLU  13           HA       GLU  13  -4.281  -5.692   9.600
  177    HB2  GLU  13           HB2      GLU  13  -4.263  -6.308  12.499
  178    HB3  GLU  13           HB3      GLU  13  -5.580  -5.760  11.473
  179    HG2  GLU  13           HG2      GLU  13  -5.316  -8.200  10.473
  180    HG3  GLU  13           HG3      GLU  13  -4.660  -8.509  12.080
  181    H    SER  14           H        SER  14  -1.255  -6.190  10.026
  182    HA   SER  14           HA       SER  14  -0.690  -3.511  10.916
  183    HB2  SER  14           HB2      SER  14   1.065  -4.480  12.591
  184    HB3  SER  14           HB3      SER  14  -0.617  -4.342  13.097
  185    HG   SER  14           HG       SER  14   0.650  -6.680  12.110
  186    H    VAL  15           H        VAL  15   0.690  -2.821   9.423
  187    HA   VAL  15           HA       VAL  15   2.961  -4.523   8.699
  188    HB   VAL  15           HB       VAL  15   1.813  -3.011   6.437
  189   HG11  VAL  15          HG11      VAL  15   2.525  -5.003   5.203
  190   HG12  VAL  15          HG12      VAL  15   2.943  -5.792   6.723
  191   HG13  VAL  15          HG13      VAL  15   3.825  -4.356   6.204
  192   HG21  VAL  15          HG21      VAL  15  -0.070  -4.214   6.058
  193   HG22  VAL  15          HG22      VAL  15  -0.061  -4.330   7.818
  194   HG23  VAL  15          HG23      VAL  15   0.563  -5.661   6.843
  195    H    ASN  16           H        ASN  16   4.660  -3.374   9.276
  196    HA   ASN  16           HA       ASN  16   4.711  -0.475   8.800
  197    HB2  ASN  16           HB2      ASN  16   5.389  -1.990  11.031
  198    HB3  ASN  16           HB3      ASN  16   6.885  -1.383  10.351
  199   HD21  ASN  16          HD21      ASN  16   6.468   1.016   9.527
  200   HD22  ASN  16          HD22      ASN  16   5.830   2.042  10.784
  201    H    VAL  17           H        VAL  17   6.033   0.317   7.244
  202    HA   VAL  17           HA       VAL  17   8.456  -1.084   6.532
  203    HB   VAL  17           HB       VAL  17   7.085  -2.467   5.291
  204   HG11  VAL  17          HG11      VAL  17   5.112  -0.792   5.565
  205   HG12  VAL  17          HG12      VAL  17   5.116  -1.939   4.204
  206   HG13  VAL  17          HG13      VAL  17   5.598  -0.264   3.938
  207   HG21  VAL  17          HG21      VAL  17   8.917  -1.746   3.906
  208   HG22  VAL  17          HG22      VAL  17   8.055  -0.275   3.459
  209   HG23  VAL  17          HG23      VAL  17   7.485  -1.839   2.879
  210    H    THR  18           H        THR  18   9.794   0.067   5.093
  211    HA   THR  18           HA       THR  18   9.039   2.874   4.639
  212    HB   THR  18           HB       THR  18  11.921   2.261   4.643
  213    HG1  THR  18           HG1      THR  18  11.907   2.295   7.019
  214   HG21  THR  18          HG21      THR  18  10.102   4.459   5.305
  215   HG22  THR  18          HG22      THR  18  11.759   4.505   4.669
  216   HG23  THR  18          HG23      THR  18  11.470   4.306   6.408
  217    H    VAL  19           H        VAL  19   9.167   3.564   2.507
  218    HA   VAL  19           HA       VAL  19  10.689   2.134   0.600
  219    HB   VAL  19           HB       VAL  19   8.808   1.722  -0.949
  220   HG11  VAL  19          HG11      VAL  19   9.545  -0.126   0.270
  221   HG12  VAL  19          HG12      VAL  19   7.744  -0.048   0.183
  222   HG13  VAL  19          HG13      VAL  19   8.638   0.443   1.730
  223   HG21  VAL  19          HG21      VAL  19   7.145   3.241  -0.310
  224   HG22  VAL  19          HG22      VAL  19   7.202   2.733   1.377
  225   HG23  VAL  19          HG23      VAL  19   6.498   1.668   0.163
  226    H    ARG  20           H        ARG  20  10.015   3.099  -1.685
  227    HA   ARG  20           HA       ARG  20   9.801   5.963  -1.363
  228    HB2  ARG  20           HB2      ARG  20  12.013   4.975  -2.127
  229    HB3  ARG  20           HB3      ARG  20  11.239   4.592  -3.630
  230    HG2  ARG  20           HG2      ARG  20  11.924   6.660  -4.281
  231    HG3  ARG  20           HG3      ARG  20  10.661   7.290  -3.221
  232    HD2  ARG  20           HD2      ARG  20  12.222   7.420  -1.381
  233    HD3  ARG  20           HD3      ARG  20  13.483   6.675  -2.358
  234    HE   ARG  20           HE       ARG  20  12.355   9.357  -2.826
  235   HH11  ARG  20          HH11      ARG  20  14.953   7.043  -3.084
  236   HH12  ARG  20          HH12      ARG  20  16.069   8.180  -3.761
  237   HH21  ARG  20          HH21      ARG  20  13.821  10.858  -3.718
  238   HH22  ARG  20          HH22      ARG  20  15.426  10.348  -4.121
  239    H    VAL  21           H        VAL  21   8.674   7.166  -3.021
  240    HA   VAL  21           HA       VAL  21   6.349   5.723  -3.987
  241    HB   VAL  21           HB       VAL  21   7.224   8.583  -4.720
  242   HG11  VAL  21          HG11      VAL  21   4.830   8.921  -5.056
  243   HG12  VAL  21          HG12      VAL  21   4.561   7.208  -4.736
  244   HG13  VAL  21          HG13      VAL  21   5.492   7.705  -6.148
  245   HG21  VAL  21          HG21      VAL  21   5.866   9.330  -2.863
  246   HG22  VAL  21          HG22      VAL  21   7.199   8.319  -2.303
  247   HG23  VAL  21          HG23      VAL  21   5.568   7.654  -2.401
  248    H    LEU  22           H        LEU  22   6.100   4.800  -5.894
  249    HA   LEU  22           HA       LEU  22   8.098   5.179  -7.991
  250    HB2  LEU  22           HB2      LEU  22   6.118   2.919  -7.753
  251    HB3  LEU  22           HB3      LEU  22   7.519   3.010  -8.760
  252    HG   LEU  22           HG       LEU  22   7.494   2.694  -5.790
  253   HD11  LEU  22          HD11      LEU  22   8.653   0.877  -7.884
  254   HD12  LEU  22          HD12      LEU  22   7.021   0.698  -7.241
  255   HD13  LEU  22          HD13      LEU  22   8.412   0.546  -6.168
  256   HD21  LEU  22          HD21      LEU  22   9.932   2.834  -7.551
  257   HD22  LEU  22          HD22      LEU  22   9.852   2.761  -5.791
  258   HD23  LEU  22          HD23      LEU  22   9.316   4.209  -6.630
  259    H    GLU  23           H        GLU  23   4.811   5.508  -7.139
  260    HA   GLU  23           HA       GLU  23   4.251   7.054  -9.542
  261    HB2  GLU  23           HB2      GLU  23   3.913   4.498 -10.056
  262    HB3  GLU  23           HB3      GLU  23   2.413   4.721  -9.165
  263    HG2  GLU  23           HG2      GLU  23   1.516   5.342 -11.097
  264    HG3  GLU  23           HG3      GLU  23   2.424   6.841 -10.921
  265    H    ALA  24           H        ALA  24   1.931   7.857  -9.515
  266    HA   ALA  24           HA       ALA  24   0.489   7.680  -7.046
  267    HB1  ALA  24           HB1      ALA  24   1.891  10.277  -7.692
  268    HB2  ALA  24           HB2      ALA  24   2.276   9.193  -6.354
  269    HB3  ALA  24           HB3      ALA  24   0.724  10.030  -6.393
  270    H    SER  25           H        SER  25  -1.601   7.962  -7.468
  271    HA   SER  25           HA       SER  25  -2.332   9.438  -9.921
  272    HB2  SER  25           HB2      SER  25  -2.848   6.811  -9.421
  273    HB3  SER  25           HB3      SER  25  -4.316   7.562  -8.794
  274    HG   SER  25           HG       SER  25  -3.973   6.980 -11.222
  275    H    GLU  26           H        GLU  26  -4.258  10.722  -9.864
  276    HA   GLU  26           HA       GLU  26  -4.563  12.213  -7.499
  277    HB2  GLU  26           HB2      GLU  26  -6.498  12.150  -9.813
  278    HB3  GLU  26           HB3      GLU  26  -6.210  13.454  -8.686
  279    HG2  GLU  26           HG2      GLU  26  -4.125  12.451 -10.585
  280    HG3  GLU  26           HG3      GLU  26  -5.234  13.768 -10.965
  281    H    ALA  27           H        ALA  27  -6.416  12.479  -6.212
  282    HA   ALA  27           HA       ALA  27  -7.473   9.968  -5.398
  283    HB1  ALA  27           HB1      ALA  27  -8.338  11.223  -3.516
  284    HB2  ALA  27           HB2      ALA  27  -7.952  12.735  -4.340
  285    HB3  ALA  27           HB3      ALA  27  -6.636  11.633  -3.856
  286    H    ARG  28           H        ARG  28  -9.327   9.047  -5.774
  287    HA   ARG  28           HA       ARG  28 -11.505  10.567  -7.044
  288    HB2  ARG  28           HB2      ARG  28 -10.721   9.499  -8.918
  289    HB3  ARG  28           HB3      ARG  28 -10.022   8.175  -8.005
  290    HG2  ARG  28           HG2      ARG  28 -12.763   7.857  -7.693
  291    HG3  ARG  28           HG3      ARG  28 -12.558   8.345  -9.376
  292    HD2  ARG  28           HD2      ARG  28 -11.069   6.533  -9.799
  293    HD3  ARG  28           HD3      ARG  28 -10.956   6.145  -8.083
  294    HE   ARG  28           HE       ARG  28 -13.604   5.959  -9.255
  295   HH11  ARG  28          HH11      ARG  28 -10.682   4.270  -8.350
  296   HH12  ARG  28          HH12      ARG  28 -11.450   2.719  -8.289
  297   HH21  ARG  28          HH21      ARG  28 -14.610   3.917  -9.175
  298   HH22  ARG  28          HH22      ARG  28 -13.676   2.518  -8.758
  299    H    GLN  29           H        GLN  29 -13.613   9.551  -6.867
  300    HA   GLN  29           HA       GLN  29 -14.040   8.337  -4.278
  301    HB2  GLN  29           HB2      GLN  29 -15.884   9.459  -6.382
  302    HB3  GLN  29           HB3      GLN  29 -16.478   8.650  -4.940
  303    HG2  GLN  29           HG2      GLN  29 -15.338  10.301  -3.558
  304    HG3  GLN  29           HG3      GLN  29 -14.780  11.127  -5.009
  305   HE21  GLN  29          HE21      GLN  29 -17.528  10.380  -3.011
  306   HE22  GLN  29          HE22      GLN  29 -18.593  11.565  -3.679
  307    H    ILE  30           H        ILE  30 -14.885   6.327  -3.905
  308    HA   ILE  30           HA       ILE  30 -15.398   4.635  -6.259
  309    HB   ILE  30           HB       ILE  30 -14.430   2.742  -5.182
  310   HG12  ILE  30          HG12      ILE  30 -13.805   4.377  -2.741
  311   HG13  ILE  30          HG13      ILE  30 -15.328   3.509  -2.909
  312   HG21  ILE  30          HG21      ILE  30 -12.732   5.205  -4.985
  313   HG22  ILE  30          HG22      ILE  30 -12.668   3.901  -6.175
  314   HG23  ILE  30          HG23      ILE  30 -12.090   3.621  -4.525
  315   HD11  ILE  30          HD11      ILE  30 -14.188   1.412  -3.016
  316   HD12  ILE  30          HD12      ILE  30 -13.577   2.301  -1.620
  317   HD13  ILE  30          HD13      ILE  30 -12.619   2.213  -3.099
  318    H    GLN  31           H        GLN  31 -16.875   2.819  -5.771
  319    HA   GLN  31           HA       GLN  31 -18.888   3.587  -3.777
  320    HB2  GLN  31           HB2      GLN  31 -19.155   2.292  -6.482
  321    HB3  GLN  31           HB3      GLN  31 -20.440   2.199  -5.286
  322    HG2  GLN  31           HG2      GLN  31 -20.607   4.623  -5.252
  323    HG3  GLN  31           HG3      GLN  31 -19.282   4.740  -6.409
  324   HE21  GLN  31          HE21      GLN  31 -19.634   4.180  -8.554
  325   HE22  GLN  31          HE22      GLN  31 -21.221   4.001  -9.213
  326    H    THR  32           H        THR  32 -18.794   2.324  -2.046
  327    HA   THR  32           HA       THR  32 -18.092  -0.517  -2.392
  328    HB   THR  32           HB       THR  32 -17.460  -0.558  -0.042
  329    HG1  THR  32           HG1      THR  32 -17.517   1.351   1.178
  330   HG21  THR  32          HG21      THR  32 -16.226   1.609  -1.720
  331   HG22  THR  32          HG22      THR  32 -15.665  -0.045  -1.484
  332   HG23  THR  32          HG23      THR  32 -15.550   1.126  -0.163
  333    H    LYS  33           H        LYS  33 -18.970  -1.659  -0.184
  334    HA   LYS  33           HA       LYS  33 -21.826  -1.692  -0.569
  335    HB2  LYS  33           HB2      LYS  33 -21.781  -3.637   0.929
  336    HB3  LYS  33           HB3      LYS  33 -20.594  -3.792  -0.359
  337    HG2  LYS  33           HG2      LYS  33 -18.801  -3.296   1.108
  338    HG3  LYS  33           HG3      LYS  33 -19.905  -2.791   2.388
  339    HD2  LYS  33           HD2      LYS  33 -20.793  -5.143   2.407
  340    HD3  LYS  33           HD3      LYS  33 -19.469  -5.575   1.322
  341    HE2  LYS  33           HE2      LYS  33 -17.850  -4.833   2.987
  342    HE3  LYS  33           HE3      LYS  33 -19.161  -4.358   4.065
  343    HZ1  LYS  33           HZ1      LYS  33 -18.532  -7.115   3.159
  344    HZ2  LYS  33           HZ2      LYS  33 -19.877  -6.697   4.096
  345    HZ3  LYS  33           HZ3      LYS  33 -18.317  -6.490   4.717
  346    H    ASN  34           H        ASN  34 -19.720   0.025   1.346
  347    HA   ASN  34           HA       ASN  34 -21.694   0.363   3.506
  348    HB2  ASN  34           HB2      ASN  34 -18.724   0.946   3.481
  349    HB3  ASN  34           HB3      ASN  34 -19.805   1.325   4.819
  350   HD21  ASN  34          HD21      ASN  34 -20.715  -0.365   6.016
  351   HD22  ASN  34          HD22      ASN  34 -20.019  -1.946   6.018
  352    H    GLY  35           H        GLY  35 -21.033   1.707   0.682
  353    HA2  GLY  35           HA2      GLY  35 -22.293   3.827   0.313
  354    HA3  GLY  35           HA3      GLY  35 -21.409   4.465   1.690
  355    H    VAL  36           H        VAL  36 -20.534   6.180   0.478
  356    HA   VAL  36           HA       VAL  36 -18.568   5.317  -1.528
  357    HB   VAL  36           HB       VAL  36 -20.276   6.643  -2.581
  358   HG11  VAL  36          HG11      VAL  36 -20.725   8.953  -1.985
  359   HG12  VAL  36          HG12      VAL  36 -19.550   8.868  -0.672
  360   HG13  VAL  36          HG13      VAL  36 -21.025   7.904  -0.598
  361   HG21  VAL  36          HG21      VAL  36 -17.734   8.234  -2.300
  362   HG22  VAL  36          HG22      VAL  36 -18.908   8.365  -3.610
  363   HG23  VAL  36          HG23      VAL  36 -17.992   6.873  -3.392
  364    H    ARG  37           H        ARG  37 -16.555   5.935  -1.433
  365    HA   ARG  37           HA       ARG  37 -15.561   7.715   0.672
  366    HB2  ARG  37           HB2      ARG  37 -13.745   6.138   0.923
  367    HB3  ARG  37           HB3      ARG  37 -15.225   5.789   1.745
  368    HG2  ARG  37           HG2      ARG  37 -14.885   4.585  -0.936
  369    HG3  ARG  37           HG3      ARG  37 -13.945   3.899   0.387
  370    HD2  ARG  37           HD2      ARG  37 -16.860   4.442   0.694
  371    HD3  ARG  37           HD3      ARG  37 -16.289   2.967  -0.077
  372    HE   ARG  37           HE       ARG  37 -14.954   2.735   2.119
  373   HH11  ARG  37          HH11      ARG  37 -18.161   4.079   1.850
  374   HH12  ARG  37          HH12      ARG  37 -18.628   3.616   3.452
  375   HH21  ARG  37          HH21      ARG  37 -15.561   2.130   4.234
  376   HH22  ARG  37          HH22      ARG  37 -17.153   2.506   4.804
  377    H    THR  38           H        THR  38 -13.166   8.100   0.349
  378    HA   THR  38           HA       THR  38 -12.772   8.575  -2.538
  379    HB   THR  38           HB       THR  38 -11.380  10.594  -1.598
  380    HG1  THR  38           HG1      THR  38 -11.964  11.303   0.342
  381   HG21  THR  38          HG21      THR  38 -14.386  10.668  -1.765
  382   HG22  THR  38          HG22      THR  38 -13.269  10.823  -3.122
  383   HG23  THR  38          HG23      THR  38 -13.315  12.064  -1.870
  384    H    ILE  39           H        ILE  39 -11.252   7.214  -3.108
  385    HA   ILE  39           HA       ILE  39  -8.841   7.131  -1.436
  386    HB   ILE  39           HB       ILE  39  -8.620   4.740  -2.022
  387   HG12  ILE  39          HG12      ILE  39 -11.468   4.534  -2.683
  388   HG13  ILE  39          HG13      ILE  39 -10.489   5.298  -3.938
  389   HG21  ILE  39          HG21      ILE  39  -9.547   4.430  -0.037
  390   HG22  ILE  39          HG22      ILE  39 -11.147   4.482  -0.774
  391   HG23  ILE  39          HG23      ILE  39 -10.399   5.963  -0.193
  392   HD11  ILE  39          HD11      ILE  39  -8.937   3.205  -3.428
  393   HD12  ILE  39          HD12      ILE  39 -10.295   3.113  -4.546
  394   HD13  ILE  39          HD13      ILE  39 -10.472   2.525  -2.893
  395    H    SER  40           H        SER  40  -7.018   6.073  -2.652
  396    HA   SER  40           HA       SER  40  -7.074   6.443  -5.519
  397    HB2  SER  40           HB2      SER  40  -6.484   8.680  -4.473
  398    HB3  SER  40           HB3      SER  40  -5.004   7.904  -3.879
  399    HG   SER  40           HG       SER  40  -5.332   8.998  -6.200
  400    H    GLU  41           H        GLU  41  -4.916   5.822  -6.449
  401    HA   GLU  41           HA       GLU  41  -3.685   3.764  -4.788
  402    HB2  GLU  41           HB2      GLU  41  -5.344   3.165  -6.749
  403    HB3  GLU  41           HB3      GLU  41  -3.937   3.483  -7.745
  404    HG2  GLU  41           HG2      GLU  41  -3.371   1.722  -5.497
  405    HG3  GLU  41           HG3      GLU  41  -4.606   1.085  -6.581
  406    H    ALA  42           H        ALA  42  -1.500   3.661  -4.811
  407    HA   ALA  42           HA       ALA  42   0.022   5.210  -6.786
  408    HB1  ALA  42           HB1      ALA  42  -0.409   6.724  -4.906
  409    HB2  ALA  42           HB2      ALA  42   1.304   6.337  -5.063
  410    HB3  ALA  42           HB3      ALA  42   0.336   5.563  -3.807
  411    H    ILE  43           H        ILE  43   1.849   4.155  -7.376
  412    HA   ILE  43           HA       ILE  43   2.440   1.630  -6.112
  413    HB   ILE  43           HB       ILE  43   3.873   2.921  -8.433
  414   HG12  ILE  43          HG12      ILE  43   1.549   2.704  -9.033
  415   HG13  ILE  43          HG13      ILE  43   2.440   1.415  -9.834
  416   HG21  ILE  43          HG21      ILE  43   4.697   0.737  -8.928
  417   HG22  ILE  43          HG22      ILE  43   3.684   0.012  -7.679
  418   HG23  ILE  43          HG23      ILE  43   5.027   1.061  -7.225
  419   HD11  ILE  43          HD11      ILE  43   1.715  -0.110  -7.990
  420   HD12  ILE  43          HD12      ILE  43   0.410   0.507  -9.007
  421   HD13  ILE  43          HD13      ILE  43   0.686   1.202  -7.408
  422    H    VAL  44           H        VAL  44   3.933   1.275  -4.686
  423    HA   VAL  44           HA       VAL  44   6.309   2.985  -4.349
  424    HB   VAL  44           HB       VAL  44   6.064   1.791  -1.808
  425   HG11  VAL  44          HG11      VAL  44   4.995   4.320  -3.002
  426   HG12  VAL  44          HG12      VAL  44   5.573   4.041  -1.352
  427   HG13  VAL  44          HG13      VAL  44   3.883   3.659  -1.788
  428   HG21  VAL  44          HG21      VAL  44   4.070   0.654  -2.903
  429   HG22  VAL  44          HG22      VAL  44   3.311   2.255  -2.915
  430   HG23  VAL  44          HG23      VAL  44   3.758   1.494  -1.377
  431    H    GLY  45           H        GLY  45   7.943   1.841  -3.241
  432    HA2  GLY  45           HA2      GLY  45   8.004  -0.822  -2.592
  433    HA3  GLY  45           HA3      GLY  45   8.530  -0.780  -4.267
  434    H    ASP  46           H        ASP  46  10.242  -1.801  -2.500
  435    HA   ASP  46           HA       ASP  46  12.284   0.303  -2.235
  436    HB2  ASP  46           HB2      ASP  46  13.123  -0.888  -0.214
  437    HB3  ASP  46           HB3      ASP  46  11.508  -0.224  -0.003
  438    H    GLU  47           H        GLU  47  14.369  -1.326  -1.435
  439    HA   GLU  47           HA       GLU  47  15.127  -2.506  -3.914
  440    HB2  GLU  47           HB2      GLU  47  17.219  -3.145  -2.617
  441    HB3  GLU  47           HB3      GLU  47  16.864  -1.428  -2.738
  442    HG2  GLU  47           HG2      GLU  47  16.701  -1.207  -0.532
  443    HG3  GLU  47           HG3      GLU  47  15.673  -2.632  -0.384
  444    H    THR  48           H        THR  48  13.171  -3.693  -1.558
  445    HA   THR  48           HA       THR  48  14.161  -6.448  -1.833
  446    HB   THR  48           HB       THR  48  13.038  -6.996   0.126
  447    HG1  THR  48           HG1      THR  48  11.144  -5.465  -0.770
  448   HG21  THR  48          HG21      THR  48  14.891  -5.211   0.334
  449   HG22  THR  48          HG22      THR  48  13.873  -5.537   1.736
  450   HG23  THR  48          HG23      THR  48  13.569  -4.115   0.738
  451    H    GLY  49           H        GLY  49  12.098  -4.492  -3.471
  452    HA2  GLY  49           HA2      GLY  49  10.952  -6.108  -5.172
  453    HA3  GLY  49           HA3      GLY  49   9.980  -6.484  -3.761
  454    H    ARG  50           H        ARG  50   8.085  -5.732  -4.640
  455    HA   ARG  50           HA       ARG  50   7.667  -2.908  -4.483
  456    HB2  ARG  50           HB2      ARG  50   8.424  -3.067  -6.780
  457    HB3  ARG  50           HB3      ARG  50   7.311  -4.396  -7.086
  458    HG2  ARG  50           HG2      ARG  50   5.549  -2.602  -6.281
  459    HG3  ARG  50           HG3      ARG  50   6.796  -1.502  -6.860
  460    HD2  ARG  50           HD2      ARG  50   5.870  -3.814  -8.526
  461    HD3  ARG  50           HD3      ARG  50   4.962  -2.308  -8.492
  462    HE   ARG  50           HE       ARG  50   7.796  -2.134  -9.111
  463   HH11  ARG  50          HH11      ARG  50   4.510  -2.135 -10.263
  464   HH12  ARG  50          HH12      ARG  50   4.910  -1.440 -11.798
  465   HH21  ARG  50          HH21      ARG  50   8.336  -1.215 -11.124
  466   HH22  ARG  50          HH22      ARG  50   7.089  -0.918 -12.288
  467    H    VAL  51           H        VAL  51   5.585  -2.434  -4.106
  468    HA   VAL  51           HA       VAL  51   3.511  -4.438  -4.330
  469    HB   VAL  51           HB       VAL  51   4.354  -4.944  -2.138
  470   HG11  VAL  51          HG11      VAL  51   4.059  -2.008  -1.504
  471   HG12  VAL  51          HG12      VAL  51   5.579  -2.880  -1.701
  472   HG13  VAL  51          HG13      VAL  51   4.507  -3.270  -0.357
  473   HG21  VAL  51          HG21      VAL  51   1.875  -3.263  -1.988
  474   HG22  VAL  51          HG22      VAL  51   2.392  -4.410  -0.752
  475   HG23  VAL  51          HG23      VAL  51   1.960  -4.981  -2.364
  476    H    LYS  52           H        LYS  52   1.581  -3.554  -4.822
  477    HA   LYS  52           HA       LYS  52   1.356  -0.795  -5.372
  478    HB2  LYS  52           HB2      LYS  52  -1.027  -2.596  -5.102
  479    HB3  LYS  52           HB3      LYS  52  -0.762  -1.285  -6.242
  480    HG2  LYS  52           HG2      LYS  52   1.253  -3.230  -6.689
  481    HG3  LYS  52           HG3      LYS  52  -0.295  -4.070  -6.580
  482    HD2  LYS  52           HD2      LYS  52  -1.224  -2.772  -8.334
  483    HD3  LYS  52           HD3      LYS  52   0.128  -1.639  -8.304
  484    HE2  LYS  52           HE2      LYS  52   0.330  -3.121 -10.210
  485    HE3  LYS  52           HE3      LYS  52   1.630  -3.443  -9.061
  486    HZ1  LYS  52           HZ1      LYS  52   0.379  -5.346  -8.242
  487    HZ2  LYS  52           HZ2      LYS  52   0.659  -5.490  -9.904
  488    HZ3  LYS  52           HZ3      LYS  52  -0.869  -5.033  -9.341
  489    H    LEU  53           H        LEU  53   0.667   0.880  -4.155
  490    HA   LEU  53           HA       LEU  53  -0.329   0.330  -1.454
  491    HB2  LEU  53           HB2      LEU  53   1.745   1.777  -1.975
  492    HB3  LEU  53           HB3      LEU  53   0.602   3.004  -2.467
  493    HG   LEU  53           HG       LEU  53   1.583   3.139  -0.105
  494   HD11  LEU  53          HD11      LEU  53  -0.293   4.509  -0.811
  495   HD12  LEU  53          HD12      LEU  53  -0.502   3.968   0.854
  496   HD13  LEU  53          HD13      LEU  53  -1.413   3.194  -0.444
  497   HD21  LEU  53          HD21      LEU  53   0.493   1.842   1.610
  498   HD22  LEU  53          HD22      LEU  53   1.280   0.770   0.452
  499   HD23  LEU  53          HD23      LEU  53  -0.469   0.998   0.401
  500    H    THR  54           H        THR  54  -2.194   1.101  -0.735
  501    HA   THR  54           HA       THR  54  -3.967   2.565  -2.539
  502    HB   THR  54           HB       THR  54  -5.175   0.609  -0.626
  503    HG1  THR  54           HG1      THR  54  -3.973  -0.002  -3.142
  504   HG21  THR  54          HG21      THR  54  -6.081   2.429  -2.514
  505   HG22  THR  54          HG22      THR  54  -7.037   1.166  -1.743
  506   HG23  THR  54          HG23      THR  54  -6.270   0.866  -3.300
  507    H    LEU  55           H        LEU  55  -4.151   4.463  -1.631
  508    HA   LEU  55           HA       LEU  55  -4.111   4.896   1.204
  509    HB2  LEU  55           HB2      LEU  55  -4.920   6.909  -0.818
  510    HB3  LEU  55           HB3      LEU  55  -3.999   7.136   0.641
  511    HG   LEU  55           HG       LEU  55  -2.568   5.397  -1.110
  512   HD11  LEU  55          HD11      LEU  55  -2.140   7.476  -2.697
  513   HD12  LEU  55          HD12      LEU  55  -3.832   7.741  -2.297
  514   HD13  LEU  55          HD13      LEU  55  -3.341   6.230  -3.047
  515   HD21  LEU  55          HD21      LEU  55  -1.600   6.725   0.710
  516   HD22  LEU  55          HD22      LEU  55  -1.962   8.194  -0.201
  517   HD23  LEU  55          HD23      LEU  55  -0.812   7.020  -0.841
  518    H    TRP  56           H        TRP  56  -5.865   5.858   2.403
  519    HA   TRP  56           HA       TRP  56  -8.477   5.471   1.136
  520    HB2  TRP  56           HB2      TRP  56  -7.424   4.287   3.658
  521    HB3  TRP  56           HB3      TRP  56  -9.157   4.568   3.490
  522    HD1  TRP  56           HD1      TRP  56  -6.320   2.399   2.109
  523    HE1  TRP  56           HE1      TRP  56  -7.304   0.534   0.659
  524    HE3  TRP  56           HE3      TRP  56 -11.186   3.948   2.062
  525    HZ2  TRP  56           HZ2      TRP  56  -9.962  -0.229  -0.320
  526    HZ3  TRP  56           HZ3      TRP  56 -12.840   2.616   0.864
  527    HH2  TRP  56           HH2      TRP  56 -12.229   0.601  -0.309
  528    H    GLY  57           H        GLY  57  -9.740   7.086   1.192
  529    HA2  GLY  57           HA2      GLY  57 -10.944   8.891   1.806
  530    HA3  GLY  57           HA3      GLY  57 -10.394   8.673   3.437
  531    H    LYS  58           H        LYS  58  -8.662  10.002   4.189
  532    HA   LYS  58           HA       LYS  58  -8.181  12.333   2.546
  533    HB2  LYS  58           HB2      LYS  58  -6.718  12.930   4.675
  534    HB3  LYS  58           HB3      LYS  58  -8.467  13.095   4.672
  535    HG2  LYS  58           HG2      LYS  58  -7.944  12.054   6.700
  536    HG3  LYS  58           HG3      LYS  58  -8.536  10.757   5.661
  537    HD2  LYS  58           HD2      LYS  58  -5.885  10.706   5.096
  538    HD3  LYS  58           HD3      LYS  58  -5.859  11.205   6.789
  539    HE2  LYS  58           HE2      LYS  58  -7.474   8.866   5.828
  540    HE3  LYS  58           HE3      LYS  58  -5.779   8.712   6.291
  541    HZ1  LYS  58           HZ1      LYS  58  -7.203   8.182   8.151
  542    HZ2  LYS  58           HZ2      LYS  58  -8.004   9.667   8.023
  543    HZ3  LYS  58           HZ3      LYS  58  -6.377   9.621   8.483
  544    H    HIS  59           H        HIS  59  -6.427   9.452   3.318
  545    HA   HIS  59           HA       HIS  59  -3.821  10.400   2.702
  546    HB2  HIS  59           HB2      HIS  59  -5.096   7.691   2.957
  547    HB3  HIS  59           HB3      HIS  59  -3.481   7.849   2.280
  548    HD2  HIS  59           HD2      HIS  59  -4.787   6.934   5.561
  549    HE1  HIS  59           HE1      HIS  59  -1.409   9.362   6.443
  550    HE2  HIS  59           HE2      HIS  59  -3.083   7.702   7.327
  551    H    ALA  60           H        ALA  60  -6.564   9.457   0.871
  552    HA   ALA  60           HA       ALA  60  -5.460   8.582  -1.508
  553    HB1  ALA  60           HB1      ALA  60  -7.573   8.568  -2.227
  554    HB2  ALA  60           HB2      ALA  60  -7.796  10.283  -1.873
  555    HB3  ALA  60           HB3      ALA  60  -7.988   9.087  -0.590
  556    H    GLY  61           H        GLY  61  -4.231   9.509  -3.003
  557    HA2  GLY  61           HA2      GLY  61  -3.134  11.100  -4.217
  558    HA3  GLY  61           HA3      GLY  61  -4.577  12.032  -4.057
  559    H    SER  62           H        SER  62  -3.407  11.365  -1.004
  560    HA   SER  62           HA       SER  62  -2.567  14.114  -0.681
  561    HB2  SER  62           HB2      SER  62  -3.939  13.323   1.077
  562    HB3  SER  62           HB3      SER  62  -3.001  11.824   1.237
  563    HG   SER  62           HG       SER  62  -1.558  12.846   2.411
  564    H    ILE  63           H        ILE  63  -1.062  11.091  -1.215
  565    HA   ILE  63           HA       ILE  63   1.420  11.693   0.079
  566    HB   ILE  63           HB       ILE  63   2.297   9.758  -1.354
  567   HG12  ILE  63          HG12      ILE  63  -0.235   8.561  -1.828
  568   HG13  ILE  63          HG13      ILE  63  -0.280  10.160  -2.558
  569   HG21  ILE  63          HG21      ILE  63   1.237   8.112   0.086
  570   HG22  ILE  63          HG22      ILE  63  -0.071   9.232   0.466
  571   HG23  ILE  63          HG23      ILE  63   1.571   9.578   1.008
  572   HD11  ILE  63          HD11      ILE  63   0.476   8.571  -4.180
  573   HD12  ILE  63          HD12      ILE  63   1.736   7.995  -3.089
  574   HD13  ILE  63          HD13      ILE  63   1.818   9.630  -3.747
  575    H    LYS  64           H        LYS  64   3.495  11.510  -1.282
  576    HA   LYS  64           HA       LYS  64   3.315  13.538  -3.388
  577    HB2  LYS  64           HB2      LYS  64   5.249  12.923  -1.258
  578    HB3  LYS  64           HB3      LYS  64   5.969  13.313  -2.814
  579    HG2  LYS  64           HG2      LYS  64   4.563  15.392  -2.833
  580    HG3  LYS  64           HG3      LYS  64   4.132  15.022  -1.162
  581    HD2  LYS  64           HD2      LYS  64   6.770  14.830  -0.926
  582    HD3  LYS  64           HD3      LYS  64   6.721  15.927  -2.308
  583    HE2  LYS  64           HE2      LYS  64   5.494  17.549  -1.090
  584    HE3  LYS  64           HE3      LYS  64   5.164  16.415   0.220
  585    HZ1  LYS  64           HZ1      LYS  64   6.900  17.984   0.819
  586    HZ2  LYS  64           HZ2      LYS  64   7.839  17.489  -0.498
  587    HZ3  LYS  64           HZ3      LYS  64   7.516  16.409   0.764
  588    H    GLU  65           H        GLU  65   5.532  13.257  -4.757
  589    HA   GLU  65           HA       GLU  65   5.212  10.772  -6.203
  590    HB2  GLU  65           HB2      GLU  65   6.047  13.469  -6.821
  591    HB3  GLU  65           HB3      GLU  65   7.276  12.323  -7.334
  592    HG2  GLU  65           HG2      GLU  65   5.836  11.248  -8.823
  593    HG3  GLU  65           HG3      GLU  65   4.417  11.912  -8.003
  594    H    GLY  66           H        GLY  66   7.677  10.244  -7.207
  595    HA2  GLY  66           HA2      GLY  66   8.830   8.542  -5.453
  596    HA3  GLY  66           HA3      GLY  66   9.747   9.354  -6.700
  597    H    GLN  67           H        GLN  67   8.760   9.415  -3.356
  598    HA   GLN  67           HA       GLN  67  11.160  10.905  -2.603
  599    HB2  GLN  67           HB2      GLN  67   9.892  12.261  -1.020
  600    HB3  GLN  67           HB3      GLN  67   9.289  12.540  -2.648
  601    HG2  GLN  67           HG2      GLN  67   7.272  12.222  -1.805
  602    HG3  GLN  67           HG3      GLN  67   7.685  10.510  -1.776
  603   HE21  GLN  67          HE21      GLN  67   8.445   9.602   0.171
  604   HE22  GLN  67          HE22      GLN  67   8.066  10.321   1.696
  605    H    VAL  68           H        VAL  68  11.613  10.550  -0.179
  606    HA   VAL  68           HA       VAL  68  11.224   7.775   0.354
  607    HB   VAL  68           HB       VAL  68  12.574   9.719   2.200
  608   HG11  VAL  68          HG11      VAL  68  12.621   6.829   1.652
  609   HG12  VAL  68          HG12      VAL  68  12.363   7.647   3.187
  610   HG13  VAL  68          HG13      VAL  68  13.981   7.575   2.487
  611   HG21  VAL  68          HG21      VAL  68  14.648   9.278   1.045
  612   HG22  VAL  68          HG22      VAL  68  13.472  10.077  -0.016
  613   HG23  VAL  68          HG23      VAL  68  13.740   8.307  -0.138
  614    H    VAL  69           H        VAL  69   9.468   7.086   1.340
  615    HA   VAL  69           HA       VAL  69   8.249   8.779   3.421
  616    HB   VAL  69           HB       VAL  69   6.322   6.898   2.661
  617   HG11  VAL  69          HG11      VAL  69   5.017   8.798   2.032
  618   HG12  VAL  69          HG12      VAL  69   6.465   9.786   1.823
  619   HG13  VAL  69          HG13      VAL  69   6.000   9.230   3.432
  620   HG21  VAL  69          HG21      VAL  69   8.037   7.485   0.424
  621   HG22  VAL  69          HG22      VAL  69   6.400   8.068   0.126
  622   HG23  VAL  69          HG23      VAL  69   6.673   6.372   0.529
  623    H    LYS  70           H        LYS  70   6.737   7.274   4.831
  624    HA   LYS  70           HA       LYS  70   8.071   4.741   5.406
  625    HB2  LYS  70           HB2      LYS  70   9.033   6.614   6.838
  626    HB3  LYS  70           HB3      LYS  70   7.452   6.717   7.599
  627    HG2  LYS  70           HG2      LYS  70   8.092   4.021   7.708
  628    HG3  LYS  70           HG3      LYS  70   9.607   4.854   8.064
  629    HD2  LYS  70           HD2      LYS  70   8.319   6.238   9.733
  630    HD3  LYS  70           HD3      LYS  70   6.966   5.131   9.487
  631    HE2  LYS  70           HE2      LYS  70   8.408   3.255  10.165
  632    HE3  LYS  70           HE3      LYS  70   9.723   4.392  10.462
  633    HZ1  LYS  70           HZ1      LYS  70   8.572   3.822  12.505
  634    HZ2  LYS  70           HZ2      LYS  70   7.105   4.371  11.867
  635    HZ3  LYS  70           HZ3      LYS  70   8.364   5.464  12.151
  636    H    ILE  71           H        ILE  71   6.449   3.357   5.117
  637    HA   ILE  71           HA       ILE  71   3.722   4.048   5.687
  638    HB   ILE  71           HB       ILE  71   4.896   1.350   5.013
  639   HG12  ILE  71          HG12      ILE  71   5.209   3.290   3.356
  640   HG13  ILE  71          HG13      ILE  71   4.486   1.801   2.743
  641   HG21  ILE  71          HG21      ILE  71   2.091   2.373   5.246
  642   HG22  ILE  71          HG22      ILE  71   2.801   0.906   5.923
  643   HG23  ILE  71          HG23      ILE  71   2.474   1.012   4.193
  644   HD11  ILE  71          HD11      ILE  71   3.444   3.984   1.996
  645   HD12  ILE  71          HD12      ILE  71   2.873   4.179   3.654
  646   HD13  ILE  71          HD13      ILE  71   2.330   2.806   2.690
  647    H    GLU  72           H        GLU  72   2.394   3.253   7.376
  648    HA   GLU  72           HA       GLU  72   3.858   2.065   9.568
  649    HB2  GLU  72           HB2      GLU  72   2.698   4.497   9.576
  650    HB3  GLU  72           HB3      GLU  72   1.375   3.552  10.152
  651    HG2  GLU  72           HG2      GLU  72   3.844   2.878  11.481
  652    HG3  GLU  72           HG3      GLU  72   3.475   4.595  11.631
  653    H    ASN  73           H        ASN  73   2.048   1.336  11.119
  654    HA   ASN  73           HA       ASN  73   1.052  -1.096  10.331
  655    HB2  ASN  73           HB2      ASN  73   1.120   0.345  12.630
  656    HB3  ASN  73           HB3      ASN  73  -0.562   0.373  12.209
  657   HD21  ASN  73          HD21      ASN  73  -1.743  -1.333  12.930
  658   HD22  ASN  73          HD22      ASN  73  -1.123  -2.860  13.427
  659    H    ALA  74           H        ALA  74  -0.080  -1.236   8.494
  660    HA   ALA  74           HA       ALA  74  -2.733   0.050   8.484
  661    HB1  ALA  74           HB1      ALA  74  -1.524   1.017   6.701
  662    HB2  ALA  74           HB2      ALA  74  -2.565  -0.205   5.969
  663    HB3  ALA  74           HB3      ALA  74  -0.851  -0.539   6.216
  664    H    TRP  75           H        TRP  75  -1.872  -2.178   6.042
  665    HA   TRP  75           HA       TRP  75  -2.397  -4.660   7.160
  666    HB2  TRP  75           HB2      TRP  75  -4.745  -5.024   6.399
  667    HB3  TRP  75           HB3      TRP  75  -4.590  -3.938   7.771
  668    HD1  TRP  75           HD1      TRP  75  -5.301  -3.810   3.971
  669    HE1  TRP  75           HE1      TRP  75  -6.700  -1.731   3.520
  670    HE3  TRP  75           HE3      TRP  75  -5.215  -1.684   8.587
  671    HZ2  TRP  75           HZ2      TRP  75  -7.655   0.490   4.875
  672    HZ3  TRP  75           HZ3      TRP  75  -6.401   0.448   8.932
  673    HH2  TRP  75           HH2      TRP  75  -7.609   1.528   7.082
  674    H    THR  76           H        THR  76  -3.217  -6.222   5.523
  675    HA   THR  76           HA       THR  76  -2.452  -5.453   2.811
  676    HB   THR  76           HB       THR  76  -1.360  -7.785   2.663
  677    HG1  THR  76           HG1      THR  76  -0.369  -8.297   4.787
  678   HG21  THR  76          HG21      THR  76   0.814  -6.878   3.598
  679   HG22  THR  76          HG22      THR  76  -0.104  -5.443   4.071
  680   HG23  THR  76          HG23      THR  76   0.011  -5.894   2.368
  681    H    THR  77           H        THR  77  -3.710  -6.301   1.304
  682    HA   THR  77           HA       THR  77  -5.497  -8.511   2.046
  683    HB   THR  77           HB       THR  77  -7.417  -7.463   1.225
  684    HG1  THR  77           HG1      THR  77  -6.310  -6.723  -0.740
  685   HG21  THR  77          HG21      THR  77  -7.319  -5.012   2.099
  686   HG22  THR  77          HG22      THR  77  -5.686  -5.425   2.620
  687   HG23  THR  77          HG23      THR  77  -7.065  -6.323   3.249
  688    H    ALA  78           H        ALA  78  -5.535 -10.109   0.547
  689    HA   ALA  78           HA       ALA  78  -3.824  -9.775  -1.764
  690    HB1  ALA  78           HB1      ALA  78  -3.624 -11.776  -0.381
  691    HB2  ALA  78           HB2      ALA  78  -4.047 -12.178  -2.046
  692    HB3  ALA  78           HB3      ALA  78  -5.282 -12.222  -0.787
  693    H    PHE  79           H        PHE  79  -4.731  -8.765  -3.467
  694    HA   PHE  79           HA       PHE  79  -7.423  -9.465  -4.261
  695    HB2  PHE  79           HB2      PHE  79  -6.419  -7.043  -4.054
  696    HB3  PHE  79           HB3      PHE  79  -5.759  -7.410  -5.662
  697    HD1  PHE  79           HD1      PHE  79  -8.850  -7.272  -3.692
  698    HD2  PHE  79           HD2      PHE  79  -7.121  -7.348  -7.556
  699    HE1  PHE  79           HE1      PHE  79 -11.028  -6.851  -4.669
  700    HE2  PHE  79           HE2      PHE  79  -9.300  -6.897  -8.544
  701    HZ   PHE  79           HZ       PHE  79 -11.284  -6.647  -7.107
  702    H    LYS  80           H        LYS  80  -7.731 -10.918  -5.776
  703    HA   LYS  80           HA       LYS  80  -7.486 -12.268  -7.572
  704    HB2  LYS  80           HB2      LYS  80  -5.489 -10.201  -8.492
  705    HB3  LYS  80           HB3      LYS  80  -6.232 -11.437  -9.502
  706    HG2  LYS  80           HG2      LYS  80  -7.762  -9.309  -8.036
  707    HG3  LYS  80           HG3      LYS  80  -7.237  -9.167  -9.710
  708    HD2  LYS  80           HD2      LYS  80  -8.580 -11.120 -10.300
  709    HD3  LYS  80           HD3      LYS  80  -9.074 -11.295  -8.612
  710    HE2  LYS  80           HE2      LYS  80 -10.007  -8.972  -8.747
  711    HE3  LYS  80           HE3      LYS  80  -9.696  -9.017 -10.480
  712    HZ1  LYS  80           HZ1      LYS  80 -11.979  -9.601  -9.994
  713    HZ2  LYS  80           HZ2      LYS  80 -11.479 -10.872  -8.996
  714    HZ3  LYS  80           HZ3      LYS  80 -11.168 -10.928 -10.658
  715    H    GLY  81           H        GLY  81  -5.507 -12.354  -5.192
  716    HA2  GLY  81           HA2      GLY  81  -4.240 -14.344  -4.765
  717    HA3  GLY  81           HA3      GLY  81  -3.800 -14.389  -6.464
  718    H    GLN  82           H        GLN  82  -3.390 -11.283  -5.975
  719    HA   GLN  82           HA       GLN  82  -0.605 -11.624  -5.099
  720    HB2  GLN  82           HB2      GLN  82  -1.013  -8.987  -6.029
  721    HB3  GLN  82           HB3      GLN  82  -0.058 -10.259  -6.779
  722    HG2  GLN  82           HG2      GLN  82  -1.516 -10.487  -8.438
  723    HG3  GLN  82           HG3      GLN  82  -2.886 -10.545  -7.332
  724   HE21  GLN  82          HE21      GLN  82  -2.447  -8.001  -6.128
  725   HE22  GLN  82          HE22      GLN  82  -2.844  -6.797  -7.300
  726    H    VAL  83           H        VAL  83   0.227 -10.426  -3.402
  727    HA   VAL  83           HA       VAL  83  -1.677  -9.515  -1.487
  728    HB   VAL  83           HB       VAL  83   1.280  -8.939  -1.337
  729   HG11  VAL  83          HG11      VAL  83   0.493  -9.648   1.142
  730   HG12  VAL  83          HG12      VAL  83  -0.988  -8.920   0.518
  731   HG13  VAL  83          HG13      VAL  83   0.510  -7.992   0.539
  732   HG21  VAL  83          HG21      VAL  83   1.045 -11.291  -1.946
  733   HG22  VAL  83          HG22      VAL  83  -0.075 -11.529  -0.606
  734   HG23  VAL  83          HG23      VAL  83   1.609 -11.116  -0.285
  735    H    GLN  84           H        GLN  84  -1.835  -7.358  -0.594
  736    HA   GLN  84           HA       GLN  84  -0.752  -5.201  -2.230
  737    HB2  GLN  84           HB2      GLN  84  -3.168  -6.051  -2.954
  738    HB3  GLN  84           HB3      GLN  84  -3.666  -5.026  -1.618
  739    HG2  GLN  84           HG2      GLN  84  -2.636  -3.109  -2.640
  740    HG3  GLN  84           HG3      GLN  84  -1.972  -4.114  -3.928
  741   HE21  GLN  84          HE21      GLN  84  -4.817  -2.620  -2.623
  742   HE22  GLN  84          HE22      GLN  84  -5.829  -2.848  -4.033
  743    H    LEU  85           H        LEU  85  -0.866  -3.138  -1.199
  744    HA   LEU  85           HA       LEU  85  -1.252  -3.328   1.718
  745    HB2  LEU  85           HB2      LEU  85   1.075  -2.924   0.390
  746    HB3  LEU  85           HB3      LEU  85   0.570  -1.273   0.669
  747    HG   LEU  85           HG       LEU  85   0.327  -2.812   3.097
  748   HD11  LEU  85          HD11      LEU  85   2.729  -3.197   3.459
  749   HD12  LEU  85          HD12      LEU  85   3.037  -2.776   1.774
  750   HD13  LEU  85          HD13      LEU  85   2.082  -4.206   2.165
  751   HD21  LEU  85          HD21      LEU  85   1.833  -1.004   3.902
  752   HD22  LEU  85          HD22      LEU  85   0.401  -0.414   3.057
  753   HD23  LEU  85          HD23      LEU  85   1.962  -0.433   2.237
  754    H    ASN  86           H        ASN  86  -2.088  -1.492   2.795
  755    HA   ASN  86           HA       ASN  86  -3.151   0.658   1.067
  756    HB2  ASN  86           HB2      ASN  86  -4.762  -0.668   3.249
  757    HB3  ASN  86           HB3      ASN  86  -5.309   0.560   2.134
  758   HD21  ASN  86          HD21      ASN  86  -4.152  -2.691   2.388
  759   HD22  ASN  86          HD22      ASN  86  -4.926  -3.293   0.963
  760    H    ALA  87           H        ALA  87  -4.078   2.464   2.463
  761    HA   ALA  87           HA       ALA  87  -2.754   2.531   5.077
  762    HB1  ALA  87           HB1      ALA  87  -2.653   4.831   3.142
  763    HB2  ALA  87           HB2      ALA  87  -1.335   3.684   3.380
  764    HB3  ALA  87           HB3      ALA  87  -1.858   4.716   4.711
  765    H    GLY  88           H        GLY  88  -4.244   2.895   6.538
  766    HA2  GLY  88           HA2      GLY  88  -6.463   4.703   5.874
  767    HA3  GLY  88           HA3      GLY  88  -6.620   3.334   6.870
  768    H    SER  89           H        SER  89  -7.071   3.886   8.861
  769    HA   SER  89           HA       SER  89  -6.238   6.432   9.859
  770    HB2  SER  89           HB2      SER  89  -7.859   4.234  11.152
  771    HB3  SER  89           HB3      SER  89  -7.546   5.802  11.896
  772    HG   SER  89           HG       SER  89  -9.502   5.242  10.309
  773    H    LYS  90           H        LYS  90  -5.616   3.062  11.129
  774    HA   LYS  90           HA       LYS  90  -3.857   4.090  13.134
  775    HB2  LYS  90           HB2      LYS  90  -3.178   1.828  13.629
  776    HB3  LYS  90           HB3      LYS  90  -4.911   1.857  13.436
  777    HG2  LYS  90           HG2      LYS  90  -3.364   1.169  11.034
  778    HG3  LYS  90           HG3      LYS  90  -3.309   0.018  12.361
  779    HD2  LYS  90           HD2      LYS  90  -5.992   0.775  12.144
  780    HD3  LYS  90           HD3      LYS  90  -5.424   0.534  10.492
  781    HE2  LYS  90           HE2      LYS  90  -5.054  -1.688  10.791
  782    HE3  LYS  90           HE3      LYS  90  -4.633  -1.497  12.492
  783    HZ1  LYS  90           HZ1      LYS  90  -6.955  -1.224  13.019
  784    HZ2  LYS  90           HZ2      LYS  90  -6.729  -2.677  12.183
  785    HZ3  LYS  90           HZ3      LYS  90  -7.382  -1.336  11.385
  786    H    THR  91           H        THR  91  -3.542   4.035   9.932
  787    HA   THR  91           HA       THR  91  -0.666   3.510   9.865
  788    HB   THR  91           HB       THR  91  -2.310   4.416   7.507
  789    HG1  THR  91           HG1      THR  91  -2.313   1.836   8.691
  790   HG21  THR  91          HG21      THR  91   0.017   2.512   7.795
  791   HG22  THR  91          HG22      THR  91   0.100   4.180   7.226
  792   HG23  THR  91          HG23      THR  91  -0.759   2.967   6.278
  793    H    LYS  92           H        LYS  92   0.744   5.195   9.870
  794    HA   LYS  92           HA       LYS  92  -0.282   7.890   9.263
  795    HB2  LYS  92           HB2      LYS  92   1.068   6.894  11.627
  796    HB3  LYS  92           HB3      LYS  92   1.985   8.193  10.878
  797    HG2  LYS  92           HG2      LYS  92   0.561   9.177  12.487
  798    HG3  LYS  92           HG3      LYS  92  -0.104   9.568  10.901
  799    HD2  LYS  92           HD2      LYS  92  -1.721   7.726  11.149
  800    HD3  LYS  92           HD3      LYS  92  -1.073   7.391  12.757
  801    HE2  LYS  92           HE2      LYS  92  -1.685   9.668  13.455
  802    HE3  LYS  92           HE3      LYS  92  -2.370   9.961  11.857
  803    HZ1  LYS  92           HZ1      LYS  92  -4.088   9.376  13.432
  804    HZ2  LYS  92           HZ2      LYS  92  -3.306   7.924  13.805
  805    HZ3  LYS  92           HZ3      LYS  92  -3.949   8.163  12.259
  806    H    ILE  93           H        ILE  93   0.540   8.463   7.323
  807    HA   ILE  93           HA       ILE  93   3.159   7.391   6.570
  808    HB   ILE  93           HB       ILE  93   1.456   9.080   4.767
  809   HG12  ILE  93          HG12      ILE  93   1.171   6.086   5.149
  810   HG13  ILE  93          HG13      ILE  93   0.017   7.286   5.716
  811   HG21  ILE  93          HG21      ILE  93   3.743   8.555   4.081
  812   HG22  ILE  93          HG22      ILE  93   2.558   7.783   3.021
  813   HG23  ILE  93          HG23      ILE  93   3.397   6.830   4.246
  814   HD11  ILE  93          HD11      ILE  93   0.697   6.575   2.883
  815   HD12  ILE  93          HD12      ILE  93  -0.223   8.014   3.322
  816   HD13  ILE  93          HD13      ILE  93  -0.849   6.413   3.717
  817    H    ALA  94           H        ALA  94   4.924   8.626   6.111
  818    HA   ALA  94           HA       ALA  94   4.868  11.523   5.911
  819    HB1  ALA  94           HB1      ALA  94   6.188  11.962   7.857
  820    HB2  ALA  94           HB2      ALA  94   5.970  10.290   8.446
  821    HB3  ALA  94           HB3      ALA  94   4.577  11.380   8.337
  822    H    GLU  95           H        GLU  95   6.809  12.462   5.280
  823    HA   GLU  95           HA       GLU  95   8.554  10.826   3.806
  824    HB2  GLU  95           HB2      GLU  95   9.261  13.633   4.651
  825    HB3  GLU  95           HB3      GLU  95   9.516  12.701   3.343
  826    HG2  GLU  95           HG2      GLU  95   8.072  13.783   2.325
  827    HG3  GLU  95           HG3      GLU  95   6.960  12.736   3.028
  828    H    ALA  96           H        ALA  96  10.433   9.995   4.227
  829    HA   ALA  96           HA       ALA  96  11.609  10.405   6.915
  830    HB1  ALA  96           HB1      ALA  96  12.063   8.112   7.203
  831    HB2  ALA  96           HB2      ALA  96  11.706   7.756   5.506
  832    HB3  ALA  96           HB3      ALA  96  10.396   8.182   6.620
  833    H    SER  97           H        SER  97  13.788  10.670   7.002
  834    HA   SER  97           HA       SER  97  15.219  10.615   4.429
  835    HB2  SER  97           HB2      SER  97  16.808  12.207   5.592
  836    HB3  SER  97           HB3      SER  97  15.224  12.819   5.239
  837    HG   SER  97           HG       SER  97  15.399  11.597   7.685
  838    H    GLU  98           H        GLU  98  16.789   9.172   4.176
  839    HA   GLU  98           HA       GLU  98  18.107   8.084   6.571
  840    HB2  GLU  98           HB2      GLU  98  17.133   6.537   4.161
  841    HB3  GLU  98           HB3      GLU  98  18.145   5.855   5.402
  842    HG2  GLU  98           HG2      GLU  98  15.727   7.102   6.396
  843    HG3  GLU  98           HG3      GLU  98  15.514   5.654   5.413
  844    H    ASP  99           H        ASP  99  19.819   6.326   4.988
  845    HA   ASP  99           HA       ASP  99  21.788   8.196   4.220
  846    HB2  ASP  99           HB2      ASP  99  21.651   5.202   4.408
  847    HB3  ASP  99           HB3      ASP  99  23.014   5.980   3.609
  848    H    GLY 100           H        GLY 100  19.203   7.809   2.611
  849    HA2  GLY 100           HA2      GLY 100  19.021   8.383   0.315
  850    HA3  GLY 100           HA3      GLY 100  20.581   7.639   0.000
  851    H    PHE 101           H        PHE 101  17.175   7.003   0.614
  852    HA   PHE 101           HA       PHE 101  17.217   4.216   0.315
  853    HB2  PHE 101           HB2      PHE 101  15.276   6.177   0.752
  854    HB3  PHE 101           HB3      PHE 101  14.801   5.416  -0.762
  855    HD1  PHE 101           HD2      PHE 101  15.917   4.491   2.680
  856    HD2  PHE 101           HD1      PHE 101  13.470   3.548  -0.670
  857    HE1  PHE 101           HE2      PHE 101  14.953   2.611   3.922
  858    HE2  PHE 101           HE1      PHE 101  12.477   1.700   0.535
  859    HZ   PHE 101           HZ       PHE 101  13.231   1.198   2.876
  860    HA   PRO 102           HA       PRO 102  18.102   3.382  -3.932
  861    HB2  PRO 102           HB2      PRO 102  15.701   1.614  -3.834
  862    HB3  PRO 102           HB3      PRO 102  17.348   1.247  -4.368
  863    HG2  PRO 102           HG2      PRO 102  16.497   0.380  -2.016
  864    HG3  PRO 102           HG3      PRO 102  18.152   0.992  -2.212
  865    HD2  PRO 102           HD2      PRO 102  15.792   2.296  -0.939
  866    HD3  PRO 102           HD3      PRO 102  17.518   2.381  -0.498
  867    H    GLU 103           H        GLU 103  17.494   4.110  -5.920
  868    HA   GLU 103           HA       GLU 103  15.284   5.916  -6.063
  869    HB2  GLU 103           HB2      GLU 103  17.625   5.893  -7.313
  870    HB3  GLU 103           HB3      GLU 103  16.707   5.006  -8.521
  871    HG2  GLU 103           HG2      GLU 103  15.227   6.819  -8.862
  872    HG3  GLU 103           HG3      GLU 103  15.832   7.669  -7.441
  873    H    SER 104           H        SER 104  13.630   5.835  -7.762
  874    HA   SER 104           HA       SER 104  12.171   3.424  -7.673
  875    HB2  SER 104           HB2      SER 104  11.709   5.591  -9.716
  876    HB3  SER 104           HB3      SER 104  10.523   4.537  -8.947
  877    HG   SER 104           HG       SER 104  12.020   6.589  -7.678
  878    H    SER 105           H        SER 105  14.517   4.665  -9.909
  879    HA   SER 105           HA       SER 105  13.834   2.814 -12.017
  880    HB2  SER 105           HB2      SER 105  15.387   5.185 -11.798
  881    HB3  SER 105           HB3      SER 105  16.455   3.903 -12.368
  882    HG   SER 105           HG       SER 105  15.331   3.742 -14.176
  883    H    GLN 106           H        GLN 106  15.370   2.498  -9.110
  884    HA   GLN 106           HA       GLN 106  16.948   0.207 -10.082
  885    HB2  GLN 106           HB2      GLN 106  17.619   1.889  -7.676
  886    HB3  GLN 106           HB3      GLN 106  18.588   0.629  -8.366
  887    HG2  GLN 106           HG2      GLN 106  18.621   2.123 -10.479
  888    HG3  GLN 106           HG3      GLN 106  18.044   3.384  -9.390
  889   HE21  GLN 106          HE21      GLN 106  20.421   0.782  -8.998
  890   HE22  GLN 106          HE22      GLN 106  21.733   1.813  -8.552
  891    H    ILE 107           H        ILE 107  14.186   0.846  -8.715
  892    HA   ILE 107           HA       ILE 107  14.402  -0.936  -6.412
  893    HB   ILE 107           HB       ILE 107  12.360   1.026  -7.354
  894   HG12  ILE 107          HG12      ILE 107  13.188   0.410  -4.531
  895   HG13  ILE 107          HG13      ILE 107  14.226   1.363  -5.587
  896   HG21  ILE 107          HG21      ILE 107  10.677   0.142  -5.818
  897   HG22  ILE 107          HG22      ILE 107  11.721  -1.244  -5.456
  898   HG23  ILE 107          HG23      ILE 107  11.057  -1.025  -7.084
  899   HD11  ILE 107          HD11      ILE 107  11.415   2.196  -5.397
  900   HD12  ILE 107          HD12      ILE 107  12.896   3.153  -5.518
  901   HD13  ILE 107          HD13      ILE 107  12.425   2.422  -3.967
  902    HA   PRO 108           HA       PRO 108  13.253  -4.463  -8.943
  903    HB2  PRO 108           HB2      PRO 108  12.412  -5.482  -6.271
  904    HB3  PRO 108           HB3      PRO 108  13.434  -6.247  -7.496
  905    HG2  PRO 108           HG2      PRO 108  14.530  -5.217  -5.319
  906    HG3  PRO 108           HG3      PRO 108  15.313  -5.033  -6.902
  907    HD2  PRO 108           HD2      PRO 108  13.766  -3.032  -5.320
  908    HD3  PRO 108           HD3      PRO 108  15.204  -2.805  -6.337
  909    H    GLU 109           H        GLU 109  11.309  -5.754  -9.319
  910    HA   GLU 109           HA       GLU 109   8.851  -4.321  -8.541
  911    HB2  GLU 109           HB2      GLU 109   7.947  -5.135 -10.781
  912    HB3  GLU 109           HB3      GLU 109   9.148  -3.852 -10.842
  913    HG2  GLU 109           HG2      GLU 109  10.847  -5.358 -11.527
  914    HG3  GLU 109           HG3      GLU 109   9.826  -6.757 -11.199
  915    H    ASN 110           H        ASN 110  10.424  -6.928  -7.756
  916    HA   ASN 110           HA       ASN 110   8.871  -9.161  -8.296
  917    HB2  ASN 110           HB2      ASN 110  11.130  -8.787  -6.911
  918    HB3  ASN 110           HB3      ASN 110  10.010  -8.913  -5.558
  919   HD21  ASN 110          HD21      ASN 110  11.893 -10.599  -7.745
  920   HD22  ASN 110          HD22      ASN 110  11.253 -12.180  -7.476
  921    H    THR 111           H        THR 111   6.859  -9.697  -7.806
  922    HA   THR 111           HA       THR 111   5.361  -8.099  -5.901
  923    HB   THR 111           HB       THR 111   3.740 -10.185  -6.946
  924    HG1  THR 111           HG1      THR 111   5.504  -9.005  -8.836
  925   HG21  THR 111          HG21      THR 111   3.053  -7.869  -6.372
  926   HG22  THR 111          HG22      THR 111   2.531  -8.358  -7.985
  927   HG23  THR 111          HG23      THR 111   3.921  -7.291  -7.793
  928    HA   PRO 112           HA       PRO 112   6.248 -11.156  -2.701
  929    HB2  PRO 112           HB2      PRO 112   4.144  -9.590  -1.309
  930    HB3  PRO 112           HB3      PRO 112   5.767 -10.039  -0.763
  931    HG2  PRO 112           HG2      PRO 112   5.269  -7.548  -1.511
  932    HG3  PRO 112           HG3      PRO 112   6.798  -8.339  -1.950
  933    HD2  PRO 112           HD2      PRO 112   4.388  -7.837  -3.643
  934    HD3  PRO 112           HD3      PRO 112   6.111  -7.705  -4.057
  935    H    THR 113           H        THR 113   5.282 -13.062  -2.206
  936    HA   THR 113           HA       THR 113   2.395 -13.346  -2.277
  937    HB   THR 113           HB       THR 113   3.583 -15.495  -3.839
  938    HG1  THR 113           HG1      THR 113   3.738 -14.032  -5.745
  939   HG21  THR 113          HG21      THR 113   1.174 -15.090  -3.625
  940   HG22  THR 113          HG22      THR 113   1.690 -15.014  -5.310
  941   HG23  THR 113          HG23      THR 113   1.366 -13.527  -4.419
  942    H    ALA 114           H        ALA 114   1.805 -14.622  -0.651
  943    HA   ALA 114           HA       ALA 114   3.675 -15.946   0.998
  944    HB1  ALA 114           HB1      ALA 114   1.734 -16.787   2.213
  945    HB2  ALA 114           HB2      ALA 114   0.678 -16.278   0.895
  946    HB3  ALA 114           HB3      ALA 114   1.552 -15.073   1.841
  947    H    ARG 115           H        ARG 115   3.543 -18.280   1.585
  948    HA   ARG 115           HA       ARG 115   3.687 -19.873  -0.835
  949    HB2  ARG 115           HB2      ARG 115   4.540 -21.647   0.739
  950    HB3  ARG 115           HB3      ARG 115   5.506 -20.180   0.673
  951    HG2  ARG 115           HG2      ARG 115   4.352 -19.408   2.741
  952    HG3  ARG 115           HG3      ARG 115   3.572 -20.988   2.831
  953    HD2  ARG 115           HD2      ARG 115   5.592 -20.811   4.251
  954    HD3  ARG 115           HD3      ARG 115   5.701 -22.084   3.038
  955    HE   ARG 115           HE       ARG 115   6.954 -19.451   2.624
  956   HH11  ARG 115          HH11      ARG 115   7.132 -22.931   2.745
  957   HH12  ARG 115          HH12      ARG 115   8.744 -22.998   2.120
  958   HH21  ARG 115          HH21      ARG 115   9.077 -19.532   1.797
  959   HH22  ARG 115          HH22      ARG 115   9.851 -21.067   1.581
  960    H    ARG 116           H        ARG 116   2.398 -21.583  -1.352
  961    HA   ARG 116           HA       ARG 116   0.008 -21.966   0.328
  962    HB2  ARG 116           HB2      ARG 116   0.391 -22.070  -2.654
  963    HB3  ARG 116           HB3      ARG 116  -0.994 -22.828  -1.882
  964    HG2  ARG 116           HG2      ARG 116  -1.579 -20.631  -0.892
  965    HG3  ARG 116           HG3      ARG 116  -0.263 -19.910  -1.821
  966    HD2  ARG 116           HD2      ARG 116  -2.011 -21.548  -3.462
  967    HD3  ARG 116           HD3      ARG 116  -2.880 -20.243  -2.656
  968    HE   ARG 116           HE       ARG 116  -1.009 -19.997  -4.801
  969   HH11  ARG 116          HH11      ARG 116  -2.324 -18.378  -2.009
  970   HH12  ARG 116          HH12      ARG 116  -1.982 -16.789  -2.608
  971   HH21  ARG 116          HH21      ARG 116  -0.553 -17.909  -5.598
  972   HH22  ARG 116          HH22      ARG 116  -0.975 -16.523  -4.649
  973    H    ARG 117           H        ARG 117  -0.808 -24.069   0.614
  974    HA   ARG 117           HA       ARG 117   1.223 -26.107   0.675
  975    HB2  ARG 117           HB2      ARG 117  -1.696 -26.469   1.334
  976    HB3  ARG 117           HB3      ARG 117  -0.331 -27.407   1.922
  977    HG2  ARG 117           HG2      ARG 117   0.452 -25.499   3.207
  978    HG3  ARG 117           HG3      ARG 117  -0.880 -24.522   2.586
  979    HD2  ARG 117           HD2      ARG 117  -1.541 -27.094   3.916
  980    HD3  ARG 117           HD3      ARG 117  -1.010 -25.754   4.932
  981    HE   ARG 117           HE       ARG 117  -2.976 -24.786   3.213
  982   HH11  ARG 117          HH11      ARG 117  -2.683 -27.068   5.832
  983   HH12  ARG 117          HH12      ARG 117  -4.319 -26.864   6.363
  984   HH21  ARG 117          HH21      ARG 117  -5.130 -24.511   3.906
  985   HH22  ARG 117          HH22      ARG 117  -5.710 -25.410   5.268
  Start of MODEL    2
    1    H5'   DT   1           H5'       DT   1 -14.325   6.214   8.891
    2   H5''   DT   1          H5''       DT   1 -16.075   6.082   8.631
    3    H4'   DT   1           H4'       DT   1 -15.733   4.061   7.312
    4    H3'   DT   1           H3'       DT   1 -13.357   3.591   8.438
    5    H2'   DT   1           H2'       DT   1 -12.139   5.482   7.626
    6   H2''   DT   1          H2''       DT   1 -11.800   4.328   6.344
    7    H1'   DT   1           H1'       DT   1 -13.417   5.249   4.881
    8    H3    DT   1           H3        DT   1 -12.903   9.547   3.670
    9    H71   DT   1           H71       DT   1 -12.092   9.817   8.758
   10    H72   DT   1           H72       DT   1 -10.526   9.085   8.336
   11    H73   DT   1           H73       DT   1 -10.979  10.667   7.660
   12    H6    DT   1           H6        DT   1 -12.267   7.175   7.759
   13   HO5'   DT   1          HO5'       DT   1 -15.127   3.734   9.497
   14    H5'   DT   2           H5'       DT   2 -14.289  -1.083   6.519
   15   H5''   DT   2          H5''       DT   2 -13.032  -1.564   7.677
   16    H4'   DT   2           H4'       DT   2 -12.760  -0.506   4.887
   17    H3'   DT   2           H3'       DT   2 -11.840  -2.986   6.294
   18    H2'   DT   2           H2'       DT   2  -9.869  -3.031   4.927
   19   H2''   DT   2          H2''       DT   2 -10.514  -1.849   3.798
   20    H1'   DT   2           H1'       DT   2  -9.289  -0.343   5.179
   21    H3    DT   2           H3        DT   2  -8.634  -0.843  10.014
   22    H71   DT   2           H71       DT   2  -6.460  -4.654   8.496
   23    H72   DT   2           H72       DT   2  -6.938  -4.780   6.787
   24    H73   DT   2           H73       DT   2  -8.040  -5.349   8.065
   25    H6    DT   2           H6        DT   2  -8.496  -3.176   5.867
   26    H5'   DT   3           H5'       DT   3 -15.462  -4.776   1.887
   27   H5''   DT   3          H5''       DT   3 -13.858  -5.132   2.559
   28    H4'   DT   3           H4'       DT   3 -14.557  -3.398   0.449
   29    H3'   DT   3           H3'       DT   3 -12.193  -4.673   1.375
   30    H2'   DT   3           H2'       DT   3 -11.253  -2.728   2.366
   31   H2''   DT   3          H2''       DT   3 -10.849  -2.366   0.693
   32    H1'   DT   3           H1'       DT   3 -12.946  -1.152   0.355
   33    H3    DT   3           H3        DT   3 -13.814   2.464   3.146
   34    H71   DT   3           H71       DT   3  -9.736   1.177   5.273
   35    H72   DT   3           H72       DT   3  -9.167   2.236   3.961
   36    H73   DT   3           H73       DT   3  -8.860   0.486   3.885
   37    H6    DT   3           H6        DT   3 -10.363  -0.770   2.580
   38    H5'   DT   4           H5'       DT   4 -14.763  -2.686  -3.562
   39   H5''   DT   4          H5''       DT   4 -13.678  -3.302  -4.826
   40    H4'   DT   4           H4'       DT   4 -13.575  -0.835  -3.500
   41    H3'   DT   4           H3'       DT   4 -12.145  -2.143  -5.687
   42    H2'   DT   4           H2'       DT   4  -9.993  -1.651  -4.957
   43   H2''   DT   4          H2''       DT   4 -10.448   0.040  -4.800
   44    H1'   DT   4           H1'       DT   4 -10.895  -0.082  -2.554
   45    H3    DT   4           H3        DT   4  -6.367  -1.753  -2.454
   46    H71   DT   4           H71       DT   4  -8.228  -5.090   0.204
   47    H72   DT   4           H72       DT   4  -8.870  -3.818   1.269
   48    H73   DT   4           H73       DT   4  -9.970  -4.727   0.205
   49    H6    DT   4           H6        DT   4 -10.791  -2.910  -1.106
   50    H5'   DT   5           H5'       DT   5 -13.317  -1.907  -8.961
   51   H5''   DT   5          H5''       DT   5 -12.670  -3.151  -7.873
   52    H4'   DT   5           H4'       DT   5 -11.542  -2.040 -10.408
   53    H3'   DT   5           H3'       DT   5 -12.764  -4.392 -10.080
   54    H2'   DT   5           H2'       DT   5 -11.414  -5.289  -8.318
   55   H2''   DT   5          H2''       DT   5 -10.574  -5.937  -9.721
   56    H1'   DT   5           H1'       DT   5  -8.880  -4.276  -9.663
   57    H3    DT   5           H3        DT   5  -6.255  -4.851  -6.127
   58    H71   DT   5           H71       DT   5 -10.753  -3.321  -3.976
   59    H72   DT   5           H72       DT   5  -9.620  -4.371  -3.094
   60    H73   DT   5           H73       DT   5 -10.978  -5.087  -3.993
   61    H6    DT   5           H6        DT   5 -10.939  -4.101  -6.571
   62    H5'   DT   6           H5'       DT   6  -9.666  -4.020 -13.353
   63   H5''   DT   6          H5''       DT   6  -8.794  -5.248 -14.293
   64    H4'   DT   6           H4'       DT   6  -8.158  -4.044 -11.740
   65    H3'   DT   6           H3'       DT   6  -6.678  -5.474 -13.896
   66   HO3'   DT   6          HO3'       DT   6  -6.848  -3.058 -12.722
   67    H2'   DT   6           H2'       DT   6  -4.989  -6.227 -12.363
   68   H2''   DT   6          H2''       DT   6  -5.501  -5.109 -11.104
   69    H1'   DT   6           H1'       DT   6  -6.675  -7.034 -10.355
   70    H3    DT   6           H3        DT   6  -5.201 -10.672 -12.855
   71    H71   DT   6           H71       DT   6 -10.197  -9.162 -14.143
   72    H72   DT   6           H72       DT   6  -9.564 -10.793 -14.476
   73    H73   DT   6           H73       DT   6  -9.155  -9.441 -15.559
   74    H6    DT   6           H6        DT   6  -8.845  -7.596 -12.972
   75    H1   MET   1           H        MET   1  11.255  -2.546  15.192
   76    H1   MET   1           HT1      MET   1  10.872  -1.462  13.950
   77    H2   MET   1           H2       MET   1  11.447  -3.008  13.576
   78    HA   MET   1           HA       MET   1   9.486  -4.025  14.474
   79    HB2  MET   1           HB2      MET   1   8.707  -1.167  15.070
   80    HB3  MET   1           HB3      MET   1   7.577  -2.514  15.115
   81    HG2  MET   1           HG2      MET   1   9.687  -3.352  16.696
   82    HG3  MET   1           HG3      MET   1   9.505  -1.643  17.084
   83    HE1  MET   1           HE1      MET   1   9.152  -3.395  19.457
   84    HE2  MET   1           HE2      MET   1   8.773  -4.823  18.493
   85    HE3  MET   1           HE3      MET   1   7.623  -4.241  19.697
   86    H    GLU   2           H        GLU   2  10.652  -2.568  12.017
   87    HA   GLU   2           HA       GLU   2   8.155  -2.550  10.456
   88    HB2  GLU   2           HB2      GLU   2   9.610  -1.121   8.833
   89    HB3  GLU   2           HB3      GLU   2   8.889  -0.362  10.245
   90    HG2  GLU   2           HG2      GLU   2  11.476  -1.423  10.897
   91    HG3  GLU   2           HG3      GLU   2  11.577  -0.363   9.493
   92    H    GLU   3           H        GLU   3   7.980  -3.987   8.861
   93    HA   GLU   3           HA       GLU   3  10.299  -5.662   8.267
   94    HB2  GLU   3           HB2      GLU   3   8.803  -7.314   7.524
   95    HB3  GLU   3           HB3      GLU   3   8.028  -6.609   8.935
   96    HG2  GLU   3           HG2      GLU   3   6.873  -5.083   7.136
   97    HG3  GLU   3           HG3      GLU   3   7.277  -6.424   6.064
   98    H    LYS   4           H        LYS   4  10.334  -6.539   5.929
   99    HA   LYS   4           HA       LYS   4  10.387  -4.152   4.149
  100    HB2  LYS   4           HB2      LYS   4  11.693  -5.849   2.689
  101    HB3  LYS   4           HB3      LYS   4  12.478  -5.115   4.080
  102    HG2  LYS   4           HG2      LYS   4  11.084  -7.688   4.511
  103    HG3  LYS   4           HG3      LYS   4  12.582  -7.718   3.580
  104    HD2  LYS   4           HD2      LYS   4  12.645  -6.127   6.062
  105    HD3  LYS   4           HD3      LYS   4  12.473  -7.870   6.275
  106    HE2  LYS   4           HE2      LYS   4  14.434  -7.793   4.421
  107    HE3  LYS   4           HE3      LYS   4  14.758  -6.293   5.287
  108    HZ1  LYS   4           HZ1      LYS   4  14.533  -8.987   6.518
  109    HZ2  LYS   4           HZ2      LYS   4  14.846  -7.548   7.351
  110    HZ3  LYS   4           HZ3      LYS   4  15.975  -8.145   6.241
  111    H    VAL   5           H        VAL   5  10.020  -4.766   1.767
  112    HA   VAL   5           HA       VAL   5   7.310  -5.636   1.525
  113    HB   VAL   5           HB       VAL   5   9.332  -5.019  -0.638
  114   HG11  VAL   5          HG11      VAL   5   7.562  -6.305  -1.586
  115   HG12  VAL   5          HG12      VAL   5   7.293  -4.615  -2.024
  116   HG13  VAL   5          HG13      VAL   5   6.342  -5.355  -0.736
  117   HG21  VAL   5          HG21      VAL   5   7.213  -3.271   0.611
  118   HG22  VAL   5          HG22      VAL   5   8.255  -2.825  -0.741
  119   HG23  VAL   5          HG23      VAL   5   8.954  -3.122   0.850
  120    H    GLY   6           H        GLY   6  10.456  -7.045   0.794
  121    HA2  GLY   6           HA2      GLY   6   9.367  -9.322  -0.576
  122    HA3  GLY   6           HA3      GLY   6  11.035  -9.111  -0.068
  123    H    ASN   7           H        ASN   7   9.105  -8.530   2.564
  124    HA   ASN   7           HA       ASN   7   9.149 -11.350   3.403
  125    HB2  ASN   7           HB2      ASN   7  10.961  -9.696   4.339
  126    HB3  ASN   7           HB3      ASN   7   9.647  -9.164   5.381
  127   HD21  ASN   7          HD21      ASN   7  10.127  -9.965   7.297
  128   HD22  ASN   7          HD22      ASN   7  10.486 -11.590   7.635
  129    H    LEU   8           H        LEU   8   7.211  -8.801   2.749
  130    HA   LEU   8           HA       LEU   8   5.460  -8.892   5.034
  131    HB2  LEU   8           HB2      LEU   8   4.350  -7.159   4.075
  132    HB3  LEU   8           HB3      LEU   8   5.860  -7.010   3.199
  133    HG   LEU   8           HG       LEU   8   4.499  -8.697   1.561
  134   HD11  LEU   8          HD11      LEU   8   2.350  -8.790   2.188
  135   HD12  LEU   8          HD12      LEU   8   2.251  -7.112   1.545
  136   HD13  LEU   8          HD13      LEU   8   2.543  -7.391   3.280
  137   HD21  LEU   8          HD21      LEU   8   5.656  -6.793   0.751
  138   HD22  LEU   8          HD22      LEU   8   4.571  -5.694   1.604
  139   HD23  LEU   8          HD23      LEU   8   3.974  -6.636   0.238
  140    H    LYS   9           H        LYS   9   3.273  -9.710   5.014
  141    HA   LYS   9           HA       LYS   9   2.588 -11.584   2.950
  142    HB2  LYS   9           HB2      LYS   9   2.044 -13.170   4.446
  143    HB3  LYS   9           HB3      LYS   9   3.611 -12.672   4.853
  144    HG2  LYS   9           HG2      LYS   9   2.931 -12.225   6.953
  145    HG3  LYS   9           HG3      LYS   9   1.660 -11.215   6.311
  146    HD2  LYS   9           HD2      LYS   9   0.320 -12.756   7.313
  147    HD3  LYS   9           HD3      LYS   9   0.596 -13.625   5.803
  148    HE2  LYS   9           HE2      LYS   9   1.388 -15.300   7.038
  149    HE3  LYS   9           HE3      LYS   9   2.786 -14.279   7.369
  150    HZ1  LYS   9           HZ1      LYS   9   1.652 -13.433   9.332
  151    HZ2  LYS   9           HZ2      LYS   9   1.809 -15.115   9.408
  152    HZ3  LYS   9           HZ3      LYS   9   0.317 -14.424   9.015
  153    HA   PRO  10           HA       PRO  10  -1.357  -9.621   3.246
  154    HB2  PRO  10           HB2      PRO  10  -2.991 -11.489   2.217
  155    HB3  PRO  10           HB3      PRO  10  -1.821 -10.622   1.252
  156    HG2  PRO  10           HG2      PRO  10  -1.660 -13.374   2.388
  157    HG3  PRO  10           HG3      PRO  10  -1.137 -12.808   0.790
  158    HD2  PRO  10           HD2      PRO  10   0.640 -13.141   2.887
  159    HD3  PRO  10           HD3      PRO  10   0.857 -12.042   1.560
  160    H    ASN  11           H        ASN  11  -3.529  -9.825   4.139
  161    HA   ASN  11           HA       ASN  11  -5.076 -10.369   5.746
  162    HB2  ASN  11           HB2      ASN  11  -3.642 -12.908   5.371
  163    HB3  ASN  11           HB3      ASN  11  -4.416 -12.739   6.944
  164   HD21  ASN  11          HD21      ASN  11  -4.948 -12.681   3.474
  165   HD22  ASN  11          HD22      ASN  11  -6.650 -13.072   3.544
  166    H    MET  12           H        MET  12  -2.475  -8.978   6.375
  167    HA   MET  12           HA       MET  12  -2.334  -9.542   9.212
  168    HB2  MET  12           HB2      MET  12  -0.480  -8.042   7.359
  169    HB3  MET  12           HB3      MET  12  -0.288  -8.170   9.056
  170    HG2  MET  12           HG2      MET  12  -0.523 -10.777   8.394
  171    HG3  MET  12           HG3      MET  12   0.259 -10.079   6.987
  172    HE1  MET  12           HE1      MET  12   2.606  -9.196   6.843
  173    HE2  MET  12           HE2      MET  12   3.671  -8.896   8.238
  174    HE3  MET  12           HE3      MET  12   2.245  -7.889   7.984
  175    H    GLU  13           H        GLU  13  -3.243  -8.186  10.610
  176    HA   GLU  13           HA       GLU  13  -4.460  -5.748   9.643
  177    HB2  GLU  13           HB2      GLU  13  -4.482  -6.364  12.542
  178    HB3  GLU  13           HB3      GLU  13  -5.786  -5.822  11.496
  179    HG2  GLU  13           HG2      GLU  13  -5.496  -8.261  10.500
  180    HG3  GLU  13           HG3      GLU  13  -4.862  -8.567  12.117
  181    H    SER  14           H        SER  14  -1.438  -6.232  10.114
  182    HA   SER  14           HA       SER  14  -0.900  -3.551  11.012
  183    HB2  SER  14           HB2      SER  14   0.836  -4.511  12.712
  184    HB3  SER  14           HB3      SER  14  -0.855  -4.381  13.194
  185    HG   SER  14           HG       SER  14   0.440  -6.713  12.227
  186    H    VAL  15           H        VAL  15   0.501  -2.855   9.541
  187    HA   VAL  15           HA       VAL  15   2.789  -4.545   8.849
  188    HB   VAL  15           HB       VAL  15   1.668  -3.039   6.571
  189   HG11  VAL  15          HG11      VAL  15   2.408  -5.027   5.347
  190   HG12  VAL  15          HG12      VAL  15   2.806  -5.816   6.874
  191   HG13  VAL  15          HG13      VAL  15   3.690  -4.375   6.368
  192   HG21  VAL  15          HG21      VAL  15  -0.191  -4.276   6.146
  193   HG22  VAL  15          HG22      VAL  15  -0.232  -4.340   7.909
  194   HG23  VAL  15          HG23      VAL  15   0.424  -5.696   6.990
  195    H    ASN  16           H        ASN  16   4.474  -3.389   9.451
  196    HA   ASN  16           HA       ASN  16   4.518  -0.489   8.975
  197    HB2  ASN  16           HB2      ASN  16   5.171  -2.002  11.217
  198    HB3  ASN  16           HB3      ASN  16   6.674  -1.387  10.559
  199   HD21  ASN  16          HD21      ASN  16   6.258   1.011   9.729
  200   HD22  ASN  16          HD22      ASN  16   5.596   2.033  10.976
  201    H    VAL  17           H        VAL  17   5.861   0.310   7.443
  202    HA   VAL  17           HA       VAL  17   8.300  -1.081   6.764
  203    HB   VAL  17           HB       VAL  17   6.954  -2.471   5.503
  204   HG11  VAL  17          HG11      VAL  17   4.971  -0.800   5.746
  205   HG12  VAL  17          HG12      VAL  17   4.997  -1.953   4.391
  206   HG13  VAL  17          HG13      VAL  17   5.477  -0.278   4.123
  207   HG21  VAL  17          HG21      VAL  17   8.804  -1.737   4.146
  208   HG22  VAL  17          HG22      VAL  17   7.937  -0.274   3.683
  209   HG23  VAL  17          HG23      VAL  17   7.389  -1.845   3.099
  210    H    THR  18           H        THR  18   9.655   0.076   5.350
  211    HA   THR  18           HA       THR  18   8.892   2.879   4.880
  212    HB   THR  18           HB       THR  18  11.778   2.280   4.926
  213    HG1  THR  18           HG1      THR  18  11.735   2.304   7.297
  214   HG21  THR  18          HG21      THR  18   9.949   4.474   5.505
  215   HG22  THR  18          HG22      THR  18  11.645   4.519   4.988
  216   HG23  THR  18          HG23      THR  18  11.234   4.322   6.703
  217    H    VAL  19           H        VAL  19   9.044   3.570   2.751
  218    HA   VAL  19           HA       VAL  19  10.605   2.147   0.865
  219    HB   VAL  19           HB       VAL  19   8.750   1.726  -0.711
  220   HG11  VAL  19          HG11      VAL  19   9.476  -0.119   0.526
  221   HG12  VAL  19          HG12      VAL  19   7.674  -0.032   0.387
  222   HG13  VAL  19          HG13      VAL  19   8.528   0.446   1.962
  223   HG21  VAL  19          HG21      VAL  19   7.119   3.316   0.007
  224   HG22  VAL  19          HG22      VAL  19   7.055   2.602   1.618
  225   HG23  VAL  19          HG23      VAL  19   6.426   1.709   0.240
  226    H    ARG  20           H        ARG  20   9.961   3.110  -1.428
  227    HA   ARG  20           HA       ARG  20   9.728   5.974  -1.114
  228    HB2  ARG  20           HB2      ARG  20  11.958   4.991  -1.845
  229    HB3  ARG  20           HB3      ARG  20  11.204   4.609  -3.358
  230    HG2  ARG  20           HG2      ARG  20  11.893   6.678  -3.997
  231    HG3  ARG  20           HG3      ARG  20  10.611   7.304  -2.957
  232    HD2  ARG  20           HD2      ARG  20  12.143   7.441  -1.093
  233    HD3  ARG  20           HD3      ARG  20  13.422   6.701  -2.051
  234    HE   ARG  20           HE       ARG  20  12.289   9.378  -2.537
  235   HH11  ARG  20          HH11      ARG  20  14.901   7.076  -2.756
  236   HH12  ARG  20          HH12      ARG  20  16.021   8.218  -3.415
  237   HH21  ARG  20          HH21      ARG  20  13.761  10.886  -3.407
  238   HH22  ARG  20          HH22      ARG  20  15.375  10.383  -3.786
  239    H    VAL  21           H        VAL  21   8.621   7.169  -2.785
  240    HA   VAL  21           HA       VAL  21   6.316   5.710  -3.783
  241    HB   VAL  21           HB       VAL  21   7.188   8.581  -4.506
  242   HG11  VAL  21          HG11      VAL  21   4.799   8.907  -4.877
  243   HG12  VAL  21          HG12      VAL  21   4.534   7.191  -4.562
  244   HG13  VAL  21          HG13      VAL  21   5.484   7.695  -5.961
  245   HG21  VAL  21          HG21      VAL  21   5.800   9.320  -2.670
  246   HG22  VAL  21          HG22      VAL  21   7.130   8.317  -2.090
  247   HG23  VAL  21          HG23      VAL  21   5.505   7.643  -2.212
  248    H    LEU  22           H        LEU  22   6.107   4.777  -5.691
  249    HA   LEU  22           HA       LEU  22   8.129   5.179  -7.764
  250    HB2  LEU  22           HB2      LEU  22   6.153   2.917  -7.555
  251    HB3  LEU  22           HB3      LEU  22   7.572   3.009  -8.556
  252    HG   LEU  22           HG       LEU  22   7.504   2.693  -5.572
  253   HD11  LEU  22          HD11      LEU  22   8.676   0.882  -7.667
  254   HD12  LEU  22          HD12      LEU  22   7.058   0.689  -6.998
  255   HD13  LEU  22          HD13      LEU  22   8.467   0.551  -5.947
  256   HD21  LEU  22          HD21      LEU  22   9.980   2.809  -7.275
  257   HD22  LEU  22          HD22      LEU  22   9.845   2.803  -5.515
  258   HD23  LEU  22          HD23      LEU  22   9.333   4.217  -6.426
  259    H    GLU  23           H        GLU  23   4.823   5.493  -6.963
  260    HA   GLU  23           HA       GLU  23   4.297   7.037  -9.372
  261    HB2  GLU  23           HB2      GLU  23   3.978   4.480  -9.890
  262    HB3  GLU  23           HB3      GLU  23   2.464   4.694  -9.022
  263    HG2  GLU  23           HG2      GLU  23   1.593   5.312 -10.968
  264    HG3  GLU  23           HG3      GLU  23   2.491   6.815 -10.778
  265    H    ALA  24           H        ALA  24   1.972   7.829  -9.380
  266    HA   ALA  24           HA       ALA  24   0.495   7.645  -6.933
  267    HB1  ALA  24           HB1      ALA  24   1.885  10.254  -7.557
  268    HB2  ALA  24           HB2      ALA  24   2.271   9.168  -6.221
  269    HB3  ALA  24           HB3      ALA  24   0.711   9.990  -6.268
  270    H    SER  25           H        SER  25  -1.590   7.909  -7.393
  271    HA   SER  25           HA       SER  25  -2.291   9.390  -9.849
  272    HB2  SER  25           HB2      SER  25  -2.803   6.761  -9.356
  273    HB3  SER  25           HB3      SER  25  -4.283   7.505  -8.751
  274    HG   SER  25           HG       SER  25  -3.900   6.924 -11.174
  275    H    GLU  26           H        GLU  26  -4.224  10.665  -9.820
  276    HA   GLU  26           HA       GLU  26  -4.571  12.155  -7.460
  277    HB2  GLU  26           HB2      GLU  26  -6.470  12.083  -9.803
  278    HB3  GLU  26           HB3      GLU  26  -6.205  13.389  -8.672
  279    HG2  GLU  26           HG2      GLU  26  -4.088  12.394 -10.540
  280    HG3  GLU  26           HG3      GLU  26  -5.197  13.706 -10.936
  281    H    ALA  27           H        ALA  27  -6.473  12.425  -6.217
  282    HA   ALA  27           HA       ALA  27  -7.540   9.894  -5.439
  283    HB1  ALA  27           HB1      ALA  27  -8.396  11.104  -3.531
  284    HB2  ALA  27           HB2      ALA  27  -8.024  12.639  -4.320
  285    HB3  ALA  27           HB3      ALA  27  -6.699  11.538  -3.861
  286    H    ARG  28           H        ARG  28  -9.371   8.991  -5.903
  287    HA   ARG  28           HA       ARG  28 -11.525  10.537  -7.187
  288    HB2  ARG  28           HB2      ARG  28 -10.550   9.447  -9.019
  289    HB3  ARG  28           HB3      ARG  28 -10.155   8.015  -8.084
  290    HG2  ARG  28           HG2      ARG  28 -12.879   7.988  -8.004
  291    HG3  ARG  28           HG3      ARG  28 -12.569   8.675  -9.599
  292    HD2  ARG  28           HD2      ARG  28 -11.363   6.780 -10.296
  293    HD3  ARG  28           HD3      ARG  28 -11.176   6.190  -8.645
  294    HE   ARG  28           HE       ARG  28 -13.868   6.327  -9.792
  295   HH11  ARG  28          HH11      ARG  28 -11.162   4.401  -8.717
  296   HH12  ARG  28          HH12      ARG  28 -12.077   2.934  -8.637
  297   HH21  ARG  28          HH21      ARG  28 -15.075   4.390  -9.681
  298   HH22  ARG  28          HH22      ARG  28 -14.296   2.927  -9.179
  299    H    GLN  29           H        GLN  29 -13.645   9.486  -7.064
  300    HA   GLN  29           HA       GLN  29 -14.080   8.257  -4.477
  301    HB2  GLN  29           HB2      GLN  29 -15.918   9.400  -6.574
  302    HB3  GLN  29           HB3      GLN  29 -16.515   8.578  -5.141
  303    HG2  GLN  29           HG2      GLN  29 -15.358  10.213  -3.746
  304    HG3  GLN  29           HG3      GLN  29 -14.830  11.065  -5.197
  305   HE21  GLN  29          HE21      GLN  29 -17.540  10.265  -3.162
  306   HE22  GLN  29          HE22      GLN  29 -18.629  11.444  -3.801
  307    H    ILE  30           H        ILE  30 -14.918   6.239  -4.121
  308    HA   ILE  30           HA       ILE  30 -15.460   4.568  -6.484
  309    HB   ILE  30           HB       ILE  30 -14.472   2.667  -5.450
  310   HG12  ILE  30          HG12      ILE  30 -13.803   4.255  -2.988
  311   HG13  ILE  30          HG13      ILE  30 -15.343   3.410  -3.146
  312   HG21  ILE  30          HG21      ILE  30 -12.746   5.114  -5.190
  313   HG22  ILE  30          HG22      ILE  30 -12.757   3.903  -6.476
  314   HG23  ILE  30          HG23      ILE  30 -12.116   3.489  -4.879
  315   HD11  ILE  30          HD11      ILE  30 -14.240   1.298  -3.291
  316   HD12  ILE  30          HD12      ILE  30 -13.551   2.161  -1.915
  317   HD13  ILE  30          HD13      ILE  30 -12.660   2.068  -3.434
  318    H    GLN  31           H        GLN  31 -16.943   2.743  -5.990
  319    HA   GLN  31           HA       GLN  31 -18.919   3.509  -3.952
  320    HB2  GLN  31           HB2      GLN  31 -19.258   2.219  -6.654
  321    HB3  GLN  31           HB3      GLN  31 -20.524   2.171  -5.435
  322    HG2  GLN  31           HG2      GLN  31 -20.640   4.592  -5.422
  323    HG3  GLN  31           HG3      GLN  31 -19.315   4.678  -6.582
  324   HE21  GLN  31          HE21      GLN  31 -19.688   4.129  -8.727
  325   HE22  GLN  31          HE22      GLN  31 -21.281   3.985  -9.381
  326    H    THR  32           H        THR  32 -18.888   2.220  -2.241
  327    HA   THR  32           HA       THR  32 -18.215  -0.625  -2.611
  328    HB   THR  32           HB       THR  32 -17.527  -0.705  -0.295
  329    HG1  THR  32           HG1      THR  32 -17.731   1.015   1.044
  330   HG21  THR  32          HG21      THR  32 -16.345   1.445  -2.013
  331   HG22  THR  32          HG22      THR  32 -15.734  -0.174  -1.687
  332   HG23  THR  32          HG23      THR  32 -15.656   1.071  -0.432
  333    H    LYS  33           H        LYS  33 -19.087  -1.769  -0.394
  334    HA   LYS  33           HA       LYS  33 -21.941  -1.779  -0.765
  335    HB2  LYS  33           HB2      LYS  33 -21.914  -3.707   0.747
  336    HB3  LYS  33           HB3      LYS  33 -20.714  -3.884  -0.525
  337    HG2  LYS  33           HG2      LYS  33 -18.936  -3.378   0.955
  338    HG3  LYS  33           HG3      LYS  33 -20.052  -2.847   2.215
  339    HD2  LYS  33           HD2      LYS  33 -20.953  -5.192   2.263
  340    HD3  LYS  33           HD3      LYS  33 -19.622  -5.650   1.198
  341    HE2  LYS  33           HE2      LYS  33 -18.012  -4.896   2.863
  342    HE3  LYS  33           HE3      LYS  33 -19.327  -4.383   3.920
  343    HZ1  LYS  33           HZ1      LYS  33 -18.718  -7.166   3.082
  344    HZ2  LYS  33           HZ2      LYS  33 -20.069  -6.714   3.994
  345    HZ3  LYS  33           HZ3      LYS  33 -18.515  -6.508   4.628
  346    H    ASN  34           H        ASN  34 -19.831  -0.049   1.138
  347    HA   ASN  34           HA       ASN  34 -21.817   0.305   3.290
  348    HB2  ASN  34           HB2      ASN  34 -18.844   0.866   3.271
  349    HB3  ASN  34           HB3      ASN  34 -19.924   1.291   4.595
  350   HD21  ASN  34          HD21      ASN  34 -20.815  -0.341   5.866
  351   HD22  ASN  34          HD22      ASN  34 -20.160  -1.939   5.889
  352    H    GLY  35           H        GLY  35 -21.142   1.622   0.464
  353    HA2  GLY  35           HA2      GLY  35 -22.390   3.729   0.048
  354    HA3  GLY  35           HA3      GLY  35 -21.541   4.386   1.439
  355    H    VAL  36           H        VAL  36 -20.685   6.097   0.180
  356    HA   VAL  36           HA       VAL  36 -18.679   5.218  -1.777
  357    HB   VAL  36           HB       VAL  36 -20.368   6.564  -2.832
  358   HG11  VAL  36          HG11      VAL  36 -20.786   8.884  -2.239
  359   HG12  VAL  36          HG12      VAL  36 -19.631   8.774  -0.910
  360   HG13  VAL  36          HG13      VAL  36 -21.122   7.833  -0.862
  361   HG21  VAL  36          HG21      VAL  36 -17.813   8.127  -2.537
  362   HG22  VAL  36          HG22      VAL  36 -18.972   8.258  -3.859
  363   HG23  VAL  36          HG23      VAL  36 -18.072   6.759  -3.621
  364    H    ARG  37           H        ARG  37 -16.650   5.813  -1.660
  365    HA   ARG  37           HA       ARG  37 -15.700   7.595   0.465
  366    HB2  ARG  37           HB2      ARG  37 -13.890   6.024   0.778
  367    HB3  ARG  37           HB3      ARG  37 -15.396   5.669   1.549
  368    HG2  ARG  37           HG2      ARG  37 -14.875   4.438  -1.108
  369    HG3  ARG  37           HG3      ARG  37 -14.079   3.763   0.313
  370    HD2  ARG  37           HD2      ARG  37 -16.994   4.344   0.374
  371    HD3  ARG  37           HD3      ARG  37 -16.402   2.878  -0.396
  372    HE   ARG  37           HE       ARG  37 -15.307   2.412   1.824
  373   HH11  ARG  37          HH11      ARG  37 -18.231   4.295   1.554
  374   HH12  ARG  37          HH12      ARG  37 -18.753   3.956   3.169
  375   HH21  ARG  37          HH21      ARG  37 -15.982   1.981   3.969
  376   HH22  ARG  37          HH22      ARG  37 -17.479   2.642   4.539
  377    H    THR  38           H        THR  38 -13.310   8.015   0.180
  378    HA   THR  38           HA       THR  38 -12.861   8.489  -2.699
  379    HB   THR  38           HB       THR  38 -11.495  10.508  -1.741
  380    HG1  THR  38           HG1      THR  38 -12.020  11.137   0.223
  381   HG21  THR  38          HG21      THR  38 -14.506  10.591  -1.901
  382   HG22  THR  38          HG22      THR  38 -13.398  10.710  -3.268
  383   HG23  THR  38          HG23      THR  38 -13.419  11.975  -2.040
  384    H    ILE  39           H        ILE  39 -11.297   7.178  -3.270
  385    HA   ILE  39           HA       ILE  39  -8.930   7.081  -1.536
  386    HB   ILE  39           HB       ILE  39  -8.663   4.712  -2.182
  387   HG12  ILE  39          HG12      ILE  39 -11.514   4.522  -2.875
  388   HG13  ILE  39          HG13      ILE  39 -10.501   5.271  -4.109
  389   HG21  ILE  39          HG21      ILE  39  -9.617   4.309  -0.228
  390   HG22  ILE  39          HG22      ILE  39 -11.218   4.460  -0.952
  391   HG23  ILE  39          HG23      ILE  39 -10.403   5.880  -0.318
  392   HD11  ILE  39          HD11      ILE  39  -8.990   3.158  -3.561
  393   HD12  ILE  39          HD12      ILE  39 -10.317   3.091  -4.716
  394   HD13  ILE  39          HD13      ILE  39 -10.550   2.502  -3.071
  395    H    SER  40           H        SER  40  -7.128   5.932  -2.770
  396    HA   SER  40           HA       SER  40  -7.103   6.385  -5.619
  397    HB2  SER  40           HB2      SER  40  -6.517   8.605  -4.539
  398    HB3  SER  40           HB3      SER  40  -5.050   7.814  -3.935
  399    HG   SER  40           HG       SER  40  -5.546   8.813  -6.370
  400    H    GLU  41           H        GLU  41  -4.930   5.765  -6.524
  401    HA   GLU  41           HA       GLU  41  -3.737   3.698  -4.849
  402    HB2  GLU  41           HB2      GLU  41  -5.351   3.108  -6.839
  403    HB3  GLU  41           HB3      GLU  41  -3.931   3.429  -7.812
  404    HG2  GLU  41           HG2      GLU  41  -3.387   1.670  -5.562
  405    HG3  GLU  41           HG3      GLU  41  -4.620   1.032  -6.645
  406    H    ALA  42           H        ALA  42  -1.568   3.597  -4.809
  407    HA   ALA  42           HA       ALA  42   0.017   5.171  -6.719
  408    HB1  ALA  42           HB1      ALA  42  -0.493   6.652  -4.825
  409    HB2  ALA  42           HB2      ALA  42   1.228   6.286  -4.948
  410    HB3  ALA  42           HB3      ALA  42   0.240   5.482  -3.728
  411    H    ILE  43           H        ILE  43   1.780   4.070  -7.321
  412    HA   ILE  43           HA       ILE  43   2.401   1.563  -6.049
  413    HB   ILE  43           HB       ILE  43   3.822   2.906  -8.355
  414   HG12  ILE  43          HG12      ILE  43   1.522   2.623  -8.987
  415   HG13  ILE  43          HG13      ILE  43   2.445   1.343  -9.764
  416   HG21  ILE  43          HG21      ILE  43   4.706   0.756  -8.890
  417   HG22  ILE  43          HG22      ILE  43   3.742  -0.016  -7.631
  418   HG23  ILE  43          HG23      ILE  43   5.056   1.076  -7.191
  419   HD11  ILE  43          HD11      ILE  43   1.728  -0.173  -7.904
  420   HD12  ILE  43          HD12      ILE  43   0.431   0.393  -8.958
  421   HD13  ILE  43          HD13      ILE  43   0.653   1.118  -7.365
  422    H    VAL  44           H        VAL  44   3.933   1.180  -4.632
  423    HA   VAL  44           HA       VAL  44   6.244   2.948  -4.247
  424    HB   VAL  44           HB       VAL  44   6.038   2.070  -1.658
  425   HG11  VAL  44          HG11      VAL  44   4.849   4.351  -3.157
  426   HG12  VAL  44          HG12      VAL  44   5.240   4.303  -1.433
  427   HG13  VAL  44          HG13      VAL  44   3.638   3.754  -2.008
  428   HG21  VAL  44          HG21      VAL  44   4.179   0.609  -2.486
  429   HG22  VAL  44          HG22      VAL  44   3.257   2.095  -2.763
  430   HG23  VAL  44          HG23      VAL  44   3.775   1.672  -1.130
  431    H    GLY  45           H        GLY  45   7.893   1.843  -3.019
  432    HA2  GLY  45           HA2      GLY  45   7.954  -0.823  -2.367
  433    HA3  GLY  45           HA3      GLY  45   8.509  -0.773  -4.032
  434    H    ASP  46           H        ASP  46  10.196  -1.789  -2.238
  435    HA   ASP  46           HA       ASP  46  12.221   0.327  -1.933
  436    HB2  ASP  46           HB2      ASP  46  13.032  -0.864   0.100
  437    HB3  ASP  46           HB3      ASP  46  11.411  -0.210   0.285
  438    H    GLU  47           H        GLU  47  14.301  -1.291  -1.100
  439    HA   GLU  47           HA       GLU  47  15.109  -2.460  -3.569
  440    HB2  GLU  47           HB2      GLU  47  17.182  -3.090  -2.238
  441    HB3  GLU  47           HB3      GLU  47  16.819  -1.376  -2.361
  442    HG2  GLU  47           HG2      GLU  47  16.617  -1.161  -0.157
  443    HG3  GLU  47           HG3      GLU  47  15.595  -2.592  -0.031
  444    H    THR  48           H        THR  48  13.117  -3.666  -1.257
  445    HA   THR  48           HA       THR  48  14.132  -6.413  -1.514
  446    HB   THR  48           HB       THR  48  12.979  -6.973   0.424
  447    HG1  THR  48           HG1      THR  48  11.110  -5.390  -0.504
  448   HG21  THR  48          HG21      THR  48  14.824  -5.213   0.694
  449   HG22  THR  48          HG22      THR  48  13.744  -5.486   2.060
  450   HG23  THR  48          HG23      THR  48  13.507  -4.083   1.018
  451    H    GLY  49           H        GLY  49  12.085  -4.466  -3.182
  452    HA2  GLY  49           HA2      GLY  49  10.979  -6.084  -4.908
  453    HA3  GLY  49           HA3      GLY  49   9.984  -6.470  -3.514
  454    H    ARG  50           H        ARG  50   8.099  -5.725  -4.410
  455    HA   ARG  50           HA       ARG  50   7.668  -2.903  -4.271
  456    HB2  ARG  50           HB2      ARG  50   8.460  -3.078  -6.558
  457    HB3  ARG  50           HB3      ARG  50   7.345  -4.404  -6.871
  458    HG2  ARG  50           HG2      ARG  50   5.573  -2.609  -6.111
  459    HG3  ARG  50           HG3      ARG  50   6.833  -1.505  -6.658
  460    HD2  ARG  50           HD2      ARG  50   5.974  -3.818  -8.356
  461    HD3  ARG  50           HD3      ARG  50   5.029  -2.333  -8.329
  462    HE   ARG  50           HE       ARG  50   7.868  -2.074  -8.883
  463   HH11  ARG  50          HH11      ARG  50   4.616  -2.195 -10.121
  464   HH12  ARG  50          HH12      ARG  50   5.030  -1.488 -11.646
  465   HH21  ARG  50          HH21      ARG  50   8.428  -1.136 -10.885
  466   HH22  ARG  50          HH22      ARG  50   7.200  -0.886 -12.081
  467    H    VAL  51           H        VAL  51   5.570  -2.437  -3.928
  468    HA   VAL  51           HA       VAL  51   3.514  -4.453  -4.172
  469    HB   VAL  51           HB       VAL  51   4.337  -4.945  -1.969
  470   HG11  VAL  51          HG11      VAL  51   4.009  -2.009  -1.351
  471   HG12  VAL  51          HG12      VAL  51   5.539  -2.871  -1.522
  472   HG13  VAL  51          HG13      VAL  51   4.450  -3.261  -0.191
  473   HG21  VAL  51          HG21      VAL  51   1.841  -3.287  -1.843
  474   HG22  VAL  51          HG22      VAL  51   2.357  -4.434  -0.606
  475   HG23  VAL  51          HG23      VAL  51   1.945  -5.003  -2.224
  476    H    LYS  52           H        LYS  52   1.584  -3.585  -4.712
  477    HA   LYS  52           HA       LYS  52   1.323  -0.834  -5.277
  478    HB2  LYS  52           HB2      LYS  52  -1.057  -2.632  -4.961
  479    HB3  LYS  52           HB3      LYS  52  -0.793  -1.354  -6.138
  480    HG2  LYS  52           HG2      LYS  52   1.189  -3.412  -6.462
  481    HG3  LYS  52           HG3      LYS  52  -0.425  -4.117  -6.477
  482    HD2  LYS  52           HD2      LYS  52  -1.100  -2.745  -8.292
  483    HD3  LYS  52           HD3      LYS  52   0.339  -1.734  -8.152
  484    HE2  LYS  52           HE2      LYS  52   0.543  -3.251 -10.043
  485    HE3  LYS  52           HE3      LYS  52   1.736  -3.650  -8.807
  486    HZ1  LYS  52           HZ1      LYS  52   0.311  -5.449  -8.059
  487    HZ2  LYS  52           HZ2      LYS  52   0.664  -5.631  -9.703
  488    HZ3  LYS  52           HZ3      LYS  52  -0.853  -5.054  -9.222
  489    H    LEU  53           H        LEU  53   0.586   0.849  -4.080
  490    HA   LEU  53           HA       LEU  53  -0.430   0.285  -1.382
  491    HB2  LEU  53           HB2      LEU  53   1.656   1.723  -1.805
  492    HB3  LEU  53           HB3      LEU  53   0.550   2.953  -2.373
  493    HG   LEU  53           HG       LEU  53   1.391   3.138   0.028
  494   HD11  LEU  53          HD11      LEU  53  -0.488   4.448  -0.804
  495   HD12  LEU  53          HD12      LEU  53  -0.739   3.957   0.872
  496   HD13  LEU  53          HD13      LEU  53  -1.588   3.120  -0.428
  497   HD21  LEU  53          HD21      LEU  53   0.266   1.840   1.712
  498   HD22  LEU  53          HD22      LEU  53   1.098   0.761   0.592
  499   HD23  LEU  53          HD23      LEU  53  -0.650   0.973   0.481
  500    H    THR  54           H        THR  54  -2.334   1.038  -0.701
  501    HA   THR  54           HA       THR  54  -4.015   2.558  -2.533
  502    HB   THR  54           HB       THR  54  -5.260   0.502  -0.747
  503    HG1  THR  54           HG1      THR  54  -3.830   0.073  -3.125
  504   HG21  THR  54          HG21      THR  54  -6.179   1.301  -3.462
  505   HG22  THR  54          HG22      THR  54  -6.326   2.464  -2.148
  506   HG23  THR  54          HG23      THR  54  -7.125   0.898  -2.030
  507    H    LEU  55           H        LEU  55  -4.214   4.408  -1.589
  508    HA   LEU  55           HA       LEU  55  -4.259   4.810   1.239
  509    HB2  LEU  55           HB2      LEU  55  -5.043   6.839  -0.773
  510    HB3  LEU  55           HB3      LEU  55  -4.133   7.051   0.691
  511    HG   LEU  55           HG       LEU  55  -2.662   5.341  -1.056
  512   HD11  LEU  55          HD11      LEU  55  -2.277   7.497  -2.611
  513   HD12  LEU  55          HD12      LEU  55  -4.002   7.602  -2.295
  514   HD13  LEU  55          HD13      LEU  55  -3.338   6.149  -3.026
  515   HD21  LEU  55          HD21      LEU  55  -1.761   6.722   0.786
  516   HD22  LEU  55          HD22      LEU  55  -2.087   8.159  -0.187
  517   HD23  LEU  55          HD23      LEU  55  -0.925   6.956  -0.749
  518    H    TRP  56           H        TRP  56  -6.049   5.863   2.366
  519    HA   TRP  56           HA       TRP  56  -8.650   5.410   1.086
  520    HB2  TRP  56           HB2      TRP  56  -7.628   4.362   3.676
  521    HB3  TRP  56           HB3      TRP  56  -9.354   4.603   3.465
  522    HD1  TRP  56           HD1      TRP  56  -6.491   2.314   2.479
  523    HE1  TRP  56           HE1      TRP  56  -7.366   0.363   1.076
  524    HE3  TRP  56           HE3      TRP  56 -11.312   3.944   1.736
  525    HZ2  TRP  56           HZ2      TRP  56  -9.829  -0.405  -0.145
  526    HZ3  TRP  56           HZ3      TRP  56 -12.829   2.536   0.428
  527    HH2  TRP  56           HH2      TRP  56 -12.109   0.416  -0.493
  528    H    GLY  57           H        GLY  57  -9.929   7.023   1.112
  529    HA2  GLY  57           HA2      GLY  57 -11.087   8.888   1.645
  530    HA3  GLY  57           HA3      GLY  57 -10.604   8.654   3.297
  531    H    LYS  58           H        LYS  58  -8.898   9.929   4.128
  532    HA   LYS  58           HA       LYS  58  -8.323  12.279   2.561
  533    HB2  LYS  58           HB2      LYS  58  -6.906  12.801   4.733
  534    HB3  LYS  58           HB3      LYS  58  -8.652  12.974   4.706
  535    HG2  LYS  58           HG2      LYS  58  -8.178  11.874   6.711
  536    HG3  LYS  58           HG3      LYS  58  -8.739  10.601   5.625
  537    HD2  LYS  58           HD2      LYS  58  -6.088  10.556   5.111
  538    HD3  LYS  58           HD3      LYS  58  -6.076  11.053   6.804
  539    HE2  LYS  58           HE2      LYS  58  -7.703   8.723   5.852
  540    HE3  LYS  58           HE3      LYS  58  -5.997   8.555   6.268
  541    HZ1  LYS  58           HZ1      LYS  58  -7.384   8.021   8.160
  542    HZ2  LYS  58           HZ2      LYS  58  -8.163   9.520   8.069
  543    HZ3  LYS  58           HZ3      LYS  58  -6.525   9.442   8.481
  544    H    HIS  59           H        HIS  59  -6.621   9.345   3.302
  545    HA   HIS  59           HA       HIS  59  -4.002  10.313   2.743
  546    HB2  HIS  59           HB2      HIS  59  -5.260   7.595   2.984
  547    HB3  HIS  59           HB3      HIS  59  -3.636   7.764   2.332
  548    HD2  HIS  59           HD2      HIS  59  -4.986   6.848   5.594
  549    HE1  HIS  59           HE1      HIS  59  -1.647   9.304   6.524
  550    HE2  HIS  59           HE2      HIS  59  -3.314   7.625   7.383
  551    H    ALA  60           H        ALA  60  -6.712   9.360   0.871
  552    HA   ALA  60           HA       ALA  60  -5.562   8.478  -1.489
  553    HB1  ALA  60           HB1      ALA  60  -7.640   8.663  -2.420
  554    HB2  ALA  60           HB2      ALA  60  -7.972  10.207  -1.624
  555    HB3  ALA  60           HB3      ALA  60  -8.058   8.706  -0.699
  556    H    GLY  61           H        GLY  61  -4.313   9.410  -2.965
  557    HA2  GLY  61           HA2      GLY  61  -3.205  11.006  -4.161
  558    HA3  GLY  61           HA3      GLY  61  -4.660  11.929  -4.035
  559    H    SER  62           H        SER  62  -3.536  11.275  -0.958
  560    HA   SER  62           HA       SER  62  -2.723  14.032  -0.626
  561    HB2  SER  62           HB2      SER  62  -4.116  13.233   1.112
  562    HB3  SER  62           HB3      SER  62  -3.169  11.742   1.289
  563    HG   SER  62           HG       SER  62  -1.741  12.780   2.472
  564    H    ILE  63           H        ILE  63  -1.186  11.019  -1.130
  565    HA   ILE  63           HA       ILE  63   1.270  11.642   0.200
  566    HB   ILE  63           HB       ILE  63   2.184   9.711  -1.216
  567   HG12  ILE  63          HG12      ILE  63  -0.332   8.494  -1.727
  568   HG13  ILE  63          HG13      ILE  63  -0.377  10.093  -2.460
  569   HG21  ILE  63          HG21      ILE  63   1.124   8.062   0.214
  570   HG22  ILE  63          HG22      ILE  63  -0.212   9.160   0.562
  571   HG23  ILE  63          HG23      ILE  63   1.413   9.537   1.138
  572   HD11  ILE  63          HD11      ILE  63   0.416   8.504  -4.067
  573   HD12  ILE  63          HD12      ILE  63   1.666   7.943  -2.956
  574   HD13  ILE  63          HD13      ILE  63   1.741   9.577  -3.617
  575    H    LYS  64           H        LYS  64   3.369  11.473  -1.127
  576    HA   LYS  64           HA       LYS  64   3.204  13.496  -3.239
  577    HB2  LYS  64           HB2      LYS  64   5.110  12.899  -1.078
  578    HB3  LYS  64           HB3      LYS  64   5.852  13.291  -2.623
  579    HG2  LYS  64           HG2      LYS  64   4.430  15.359  -2.667
  580    HG3  LYS  64           HG3      LYS  64   3.977  14.989  -1.003
  581    HD2  LYS  64           HD2      LYS  64   6.612  14.818  -0.725
  582    HD3  LYS  64           HD3      LYS  64   6.576  15.911  -2.109
  583    HE2  LYS  64           HE2      LYS  64   5.318  17.526  -0.914
  584    HE3  LYS  64           HE3      LYS  64   4.975  16.392   0.392
  585    HZ1  LYS  64           HZ1      LYS  64   6.690  17.976   1.015
  586    HZ2  LYS  64           HZ2      LYS  64   7.654  17.484  -0.284
  587    HZ3  LYS  64           HZ3      LYS  64   7.318  16.405   0.975
  588    H    GLU  65           H        GLU  65   5.446  13.229  -4.572
  589    HA   GLU  65           HA       GLU  65   5.167  10.739  -6.020
  590    HB2  GLU  65           HB2      GLU  65   5.991  13.442  -6.629
  591    HB3  GLU  65           HB3      GLU  65   7.237  12.305  -7.120
  592    HG2  GLU  65           HG2      GLU  65   5.829  11.217  -8.630
  593    HG3  GLU  65           HG3      GLU  65   4.392  11.870  -7.832
  594    H    GLY  66           H        GLY  66   7.652  10.228  -6.984
  595    HA2  GLY  66           HA2      GLY  66   8.790   8.537  -5.209
  596    HA3  GLY  66           HA3      GLY  66   9.720   9.356  -6.443
  597    H    GLN  67           H        GLN  67   8.680   9.413  -3.116
  598    HA   GLN  67           HA       GLN  67  11.057  10.924  -2.326
  599    HB2  GLN  67           HB2      GLN  67   9.753  12.272  -0.766
  600    HB3  GLN  67           HB3      GLN  67   9.174  12.543  -2.403
  601    HG2  GLN  67           HG2      GLN  67   7.147  12.212  -1.592
  602    HG3  GLN  67           HG3      GLN  67   7.572  10.504  -1.554
  603   HE21  GLN  67          HE21      GLN  67   8.307   9.605   0.407
  604   HE22  GLN  67          HE22      GLN  67   7.900  10.323   1.923
  605    H    VAL  68           H        VAL  68  11.478  10.573   0.101
  606    HA   VAL  68           HA       VAL  68  11.098   7.798   0.636
  607    HB   VAL  68           HB       VAL  68  12.403   9.755   2.500
  608   HG11  VAL  68          HG11      VAL  68  12.444   6.866   1.973
  609   HG12  VAL  68          HG12      VAL  68  12.225   7.702   3.508
  610   HG13  VAL  68          HG13      VAL  68  13.828   7.603   2.776
  611   HG21  VAL  68          HG21      VAL  68  14.498   9.325   1.380
  612   HG22  VAL  68          HG22      VAL  68  13.336  10.118   0.303
  613   HG23  VAL  68          HG23      VAL  68  13.616   8.351   0.179
  614    H    VAL  69           H        VAL  69   9.331   7.097   1.594
  615    HA   VAL  69           HA       VAL  69   8.067   8.785   3.656
  616    HB   VAL  69           HB       VAL  69   6.167   6.888   2.868
  617   HG11  VAL  69          HG11      VAL  69   4.857   8.778   2.214
  618   HG12  VAL  69          HG12      VAL  69   6.301   9.775   2.027
  619   HG13  VAL  69          HG13      VAL  69   5.814   9.219   3.629
  620   HG21  VAL  69          HG21      VAL  69   7.885   7.600   0.627
  621   HG22  VAL  69          HG22      VAL  69   6.186   7.971   0.341
  622   HG23  VAL  69          HG23      VAL  69   6.671   6.328   0.763
  623    H    LYS  70           H        LYS  70   6.545   7.271   5.044
  624    HA   LYS  70           HA       LYS  70   7.889   4.748   5.643
  625    HB2  LYS  70           HB2      LYS  70   8.814   6.630   7.087
  626    HB3  LYS  70           HB3      LYS  70   7.220   6.723   7.823
  627    HG2  LYS  70           HG2      LYS  70   7.878   4.031   7.947
  628    HG3  LYS  70           HG3      LYS  70   9.381   4.876   8.325
  629    HD2  LYS  70           HD2      LYS  70   8.056   6.253   9.971
  630    HD3  LYS  70           HD3      LYS  70   6.716   5.136   9.705
  631    HE2  LYS  70           HE2      LYS  70   8.162   3.272  10.410
  632    HE3  LYS  70           HE3      LYS  70   9.463   4.420  10.725
  633    HZ1  LYS  70           HZ1      LYS  70   8.284   3.844  12.750
  634    HZ2  LYS  70           HZ2      LYS  70   6.823   4.381  12.089
  635    HZ3  LYS  70           HZ3      LYS  70   8.069   5.484  12.391
  636    H    ILE  71           H        ILE  71   6.281   3.352   5.331
  637    HA   ILE  71           HA       ILE  71   3.541   4.023   5.857
  638    HB   ILE  71           HB       ILE  71   4.745   1.333   5.206
  639   HG12  ILE  71          HG12      ILE  71   5.069   3.275   3.551
  640   HG13  ILE  71          HG13      ILE  71   4.367   1.777   2.929
  641   HG21  ILE  71          HG21      ILE  71   1.924   2.337   5.357
  642   HG22  ILE  71          HG22      ILE  71   2.631   0.903   6.105
  643   HG23  ILE  71          HG23      ILE  71   2.354   0.945   4.363
  644   HD11  ILE  71          HD11      ILE  71   3.307   3.914   2.138
  645   HD12  ILE  71          HD12      ILE  71   2.753   4.176   3.792
  646   HD13  ILE  71          HD13      ILE  71   2.189   2.772   2.886
  647    H    GLU  72           H        GLU  72   2.194   3.228   7.527
  648    HA   GLU  72           HA       GLU  72   3.632   2.046   9.741
  649    HB2  GLU  72           HB2      GLU  72   2.454   4.470   9.728
  650    HB3  GLU  72           HB3      GLU  72   1.127   3.517  10.285
  651    HG2  GLU  72           HG2      GLU  72   3.580   2.863  11.655
  652    HG3  GLU  72           HG3      GLU  72   3.196   4.578  11.795
  653    H    ASN  73           H        ASN  73   1.803   1.305  11.265
  654    HA   ASN  73           HA       ASN  73   0.837  -1.134  10.467
  655    HB2  ASN  73           HB2      ASN  73   0.856   0.313  12.762
  656    HB3  ASN  73           HB3      ASN  73  -0.818   0.325  12.317
  657   HD21  ASN  73          HD21      ASN  73  -1.997  -1.386  13.020
  658   HD22  ASN  73          HD22      ASN  73  -1.375  -2.907  13.536
  659    H    ALA  74           H        ALA  74  -0.269  -1.289   8.612
  660    HA   ALA  74           HA       ALA  74  -2.935  -0.032   8.554
  661    HB1  ALA  74           HB1      ALA  74  -1.655   0.940   6.801
  662    HB2  ALA  74           HB2      ALA  74  -2.734  -0.240   6.054
  663    HB3  ALA  74           HB3      ALA  74  -1.031  -0.630   6.301
  664    H    TRP  75           H        TRP  75  -2.020  -2.247   6.117
  665    HA   TRP  75           HA       TRP  75  -2.502  -4.743   7.243
  666    HB2  TRP  75           HB2      TRP  75  -4.831  -5.155   6.432
  667    HB3  TRP  75           HB3      TRP  75  -4.726  -4.059   7.803
  668    HD1  TRP  75           HD1      TRP  75  -5.345  -3.956   3.983
  669    HE1  TRP  75           HE1      TRP  75  -6.719  -1.867   3.479
  670    HE3  TRP  75           HE3      TRP  75  -5.388  -1.813   8.604
  671    HZ2  TRP  75           HZ2      TRP  75  -7.655   0.353   4.779
  672    HZ3  TRP  75           HZ3      TRP  75  -6.556   0.341   8.886
  673    HH2  TRP  75           HH2      TRP  75  -7.690   1.404   6.980
  674    H    THR  76           H        THR  76  -3.271  -6.326   5.578
  675    HA   THR  76           HA       THR  76  -2.479  -5.509   2.885
  676    HB   THR  76           HB       THR  76  -1.353  -7.827   2.737
  677    HG1  THR  76           HG1      THR  76  -0.376  -8.281   4.912
  678   HG21  THR  76          HG21      THR  76   0.787  -6.881   3.716
  679   HG22  THR  76          HG22      THR  76  -0.166  -5.467   4.177
  680   HG23  THR  76          HG23      THR  76  -0.010  -5.910   2.474
  681    H    THR  77           H        THR  77  -3.702  -6.354   1.342
  682    HA   THR  77           HA       THR  77  -5.475  -8.582   2.030
  683    HB   THR  77           HB       THR  77  -7.390  -7.562   1.118
  684    HG1  THR  77           HG1      THR  77  -6.621  -6.674  -0.763
  685   HG21  THR  77          HG21      THR  77  -7.700  -6.164   2.846
  686   HG22  THR  77          HG22      THR  77  -6.674  -4.951   2.085
  687   HG23  THR  77          HG23      THR  77  -5.959  -6.169   3.139
  688    H    ALA  78           H        ALA  78  -5.485 -10.175   0.508
  689    HA   ALA  78           HA       ALA  78  -3.745  -9.791  -1.777
  690    HB1  ALA  78           HB1      ALA  78  -3.515 -11.797  -0.405
  691    HB2  ALA  78           HB2      ALA  78  -3.901 -12.192  -2.081
  692    HB3  ALA  78           HB3      ALA  78  -5.154 -12.281  -0.843
  693    H    PHE  79           H        PHE  79  -4.640  -8.804  -3.483
  694    HA   PHE  79           HA       PHE  79  -7.314  -9.516  -4.322
  695    HB2  PHE  79           HB2      PHE  79  -6.327  -7.093  -4.090
  696    HB3  PHE  79           HB3      PHE  79  -5.622  -7.451  -5.682
  697    HD1  PHE  79           HD1      PHE  79  -8.757  -7.278  -3.791
  698    HD2  PHE  79           HD2      PHE  79  -6.943  -7.435  -7.611
  699    HE1  PHE  79           HE1      PHE  79 -10.911  -6.860  -4.822
  700    HE2  PHE  79           HE2      PHE  79  -9.095  -6.994  -8.656
  701    HZ   PHE  79           HZ       PHE  79 -11.111  -6.704  -7.270
  702    H    LYS  80           H        LYS  80  -7.602 -10.945  -5.882
  703    HA   LYS  80           HA       LYS  80  -7.303 -12.298  -7.671
  704    HB2  LYS  80           HB2      LYS  80  -5.258 -10.257  -8.547
  705    HB3  LYS  80           HB3      LYS  80  -6.028 -11.460  -9.571
  706    HG2  LYS  80           HG2      LYS  80  -7.575  -9.344  -8.105
  707    HG3  LYS  80           HG3      LYS  80  -6.921  -9.103  -9.720
  708    HD2  LYS  80           HD2      LYS  80  -8.242 -10.976 -10.551
  709    HD3  LYS  80           HD3      LYS  80  -8.864 -11.272  -8.925
  710    HE2  LYS  80           HE2      LYS  80  -9.941  -9.107  -8.904
  711    HE3  LYS  80           HE3      LYS  80  -9.241  -8.711 -10.470
  712    HZ1  LYS  80           HZ1      LYS  80 -11.534  -9.397 -10.698
  713    HZ2  LYS  80           HZ2      LYS  80 -11.205 -10.875  -9.947
  714    HZ3  LYS  80           HZ3      LYS  80 -10.518 -10.520 -11.450
  715    H    GLY  81           H        GLY  81  -5.376 -12.367  -5.238
  716    HA2  GLY  81           HA2      GLY  81  -4.106 -14.342  -4.769
  717    HA3  GLY  81           HA3      GLY  81  -3.634 -14.402  -6.458
  718    H    GLN  82           H        GLN  82  -3.245 -11.284  -5.967
  719    HA   GLN  82           HA       GLN  82  -0.470 -11.611  -5.060
  720    HB2  GLN  82           HB2      GLN  82  -0.889  -8.972  -5.990
  721    HB3  GLN  82           HB3      GLN  82   0.088 -10.233  -6.727
  722    HG2  GLN  82           HG2      GLN  82  -1.328 -10.435  -8.421
  723    HG3  GLN  82           HG3      GLN  82  -2.707 -10.591  -7.338
  724   HE21  GLN  82          HE21      GLN  82  -2.369  -8.048  -6.062
  725   HE22  GLN  82          HE22      GLN  82  -2.823  -6.837  -7.207
  726    H    VAL  83           H        VAL  83   0.308 -10.483  -3.305
  727    HA   VAL  83           HA       VAL  83  -1.630  -9.550  -1.435
  728    HB   VAL  83           HB       VAL  83   1.327  -8.999  -1.193
  729   HG11  VAL  83          HG11      VAL  83   0.475  -9.720   1.255
  730   HG12  VAL  83          HG12      VAL  83  -0.996  -9.003   0.598
  731   HG13  VAL  83          HG13      VAL  83   0.490  -8.060   0.663
  732   HG21  VAL  83          HG21      VAL  83   1.090 -11.346  -1.834
  733   HG22  VAL  83          HG22      VAL  83  -0.061 -11.589  -0.521
  734   HG23  VAL  83          HG23      VAL  83   1.618 -11.189  -0.159
  735    H    GLN  84           H        GLN  84  -1.774  -7.393  -0.527
  736    HA   GLN  84           HA       GLN  84  -0.638  -5.244  -2.140
  737    HB2  GLN  84           HB2      GLN  84  -3.132  -6.115  -2.772
  738    HB3  GLN  84           HB3      GLN  84  -3.514  -4.897  -1.565
  739    HG2  GLN  84           HG2      GLN  84  -2.410  -3.198  -2.830
  740    HG3  GLN  84           HG3      GLN  84  -1.785  -4.390  -3.969
  741   HE21  GLN  84          HE21      GLN  84  -4.555  -2.584  -2.928
  742   HE22  GLN  84          HE22      GLN  84  -5.567  -2.955  -4.307
  743    H    LEU  85           H        LEU  85  -1.005  -3.103  -1.133
  744    HA   LEU  85           HA       LEU  85  -1.314  -3.322   1.791
  745    HB2  LEU  85           HB2      LEU  85   1.023  -2.870   0.479
  746    HB3  LEU  85           HB3      LEU  85   0.476  -1.232   0.769
  747    HG   LEU  85           HG       LEU  85   0.220  -2.745   3.190
  748   HD11  LEU  85          HD11      LEU  85   2.606  -3.209   3.576
  749   HD12  LEU  85          HD12      LEU  85   2.940  -2.824   1.887
  750   HD13  LEU  85          HD13      LEU  85   1.931  -4.212   2.292
  751   HD21  LEU  85          HD21      LEU  85   1.773  -0.979   3.985
  752   HD22  LEU  85          HD22      LEU  85   0.383  -0.347   3.104
  753   HD23  LEU  85          HD23      LEU  85   1.957  -0.440   2.314
  754    H    ASN  86           H        ASN  86  -2.173  -1.496   2.870
  755    HA   ASN  86           HA       ASN  86  -3.305   0.651   1.163
  756    HB2  ASN  86           HB2      ASN  86  -4.809  -0.774   3.358
  757    HB3  ASN  86           HB3      ASN  86  -5.426   0.491   2.323
  758   HD21  ASN  86          HD21      ASN  86  -4.136  -2.724   2.351
  759   HD22  ASN  86          HD22      ASN  86  -4.965  -3.287   0.949
  760    H    ALA  87           H        ALA  87  -4.191   2.451   2.539
  761    HA   ALA  87           HA       ALA  87  -2.954   2.483   5.191
  762    HB1  ALA  87           HB1      ALA  87  -2.729   4.813   3.295
  763    HB2  ALA  87           HB2      ALA  87  -1.439   3.648   3.590
  764    HB3  ALA  87           HB3      ALA  87  -2.021   4.671   4.902
  765    H    GLY  88           H        GLY  88  -4.510   2.818   6.585
  766    HA2  GLY  88           HA2      GLY  88  -6.686   4.656   5.872
  767    HA3  GLY  88           HA3      GLY  88  -6.882   3.283   6.863
  768    H    SER  89           H        SER  89  -7.316   3.812   8.881
  769    HA   SER  89           HA       SER  89  -6.507   6.368   9.874
  770    HB2  SER  89           HB2      SER  89  -8.082   4.140  11.172
  771    HB3  SER  89           HB3      SER  89  -7.782   5.704  11.927
  772    HG   SER  89           HG       SER  89  -9.796   5.251  10.526
  773    H    LYS  90           H        LYS  90  -5.860   3.018  11.182
  774    HA   LYS  90           HA       LYS  90  -4.097   4.070  13.169
  775    HB2  LYS  90           HB2      LYS  90  -3.424   1.820  13.694
  776    HB3  LYS  90           HB3      LYS  90  -5.155   1.831  13.476
  777    HG2  LYS  90           HG2      LYS  90  -3.565   1.147  11.103
  778    HG3  LYS  90           HG3      LYS  90  -3.520   0.005  12.435
  779    HD2  LYS  90           HD2      LYS  90  -6.212   0.776  12.127
  780    HD3  LYS  90           HD3      LYS  90  -5.584   0.429  10.514
  781    HE2  LYS  90           HE2      LYS  90  -5.399  -1.759  10.926
  782    HE3  LYS  90           HE3      LYS  90  -4.744  -1.494  12.540
  783    HZ1  LYS  90           HZ1      LYS  90  -6.959  -1.141  13.375
  784    HZ2  LYS  90           HZ2      LYS  90  -6.895  -2.629  12.568
  785    HZ3  LYS  90           HZ3      LYS  90  -7.615  -1.296  11.821
  786    H    THR  91           H        THR  91  -3.760   4.048   9.985
  787    HA   THR  91           HA       THR  91  -0.883   3.477   9.945
  788    HB   THR  91           HB       THR  91  -2.511   4.350   7.559
  789    HG1  THR  91           HG1      THR  91  -2.529   1.785   8.782
  790   HG21  THR  91          HG21      THR  91  -0.192   2.444   7.899
  791   HG22  THR  91          HG22      THR  91  -0.103   4.099   7.293
  792   HG23  THR  91          HG23      THR  91  -0.958   2.866   6.368
  793    H    LYS  92           H        LYS  92   0.484   5.196  10.099
  794    HA   LYS  92           HA       LYS  92  -0.530   7.872   9.377
  795    HB2  LYS  92           HB2      LYS  92   0.823   6.905  11.761
  796    HB3  LYS  92           HB3      LYS  92   1.716   8.218  11.008
  797    HG2  LYS  92           HG2      LYS  92   0.255   9.160  12.624
  798    HG3  LYS  92           HG3      LYS  92  -0.381   9.563  11.029
  799    HD2  LYS  92           HD2      LYS  92  -1.999   7.731  11.215
  800    HD3  LYS  92           HD3      LYS  92  -1.362   7.334  12.815
  801    HE2  LYS  92           HE2      LYS  92  -1.986   9.584  13.594
  802    HE3  LYS  92           HE3      LYS  92  -2.665   9.931  12.005
  803    HZ1  LYS  92           HZ1      LYS  92  -4.372   9.271  13.581
  804    HZ2  LYS  92           HZ2      LYS  92  -3.594   7.793  13.846
  805    HZ3  LYS  92           HZ3      LYS  92  -4.251   8.142  12.326
  806    H    ILE  93           H        ILE  93   0.308   8.421   7.432
  807    HA   ILE  93           HA       ILE  93   2.949   7.374   6.724
  808    HB   ILE  93           HB       ILE  93   1.263   9.053   4.895
  809   HG12  ILE  93          HG12      ILE  93   0.988   6.058   5.275
  810   HG13  ILE  93          HG13      ILE  93  -0.182   7.250   5.824
  811   HG21  ILE  93          HG21      ILE  93   3.557   8.545   4.236
  812   HG22  ILE  93          HG22      ILE  93   2.395   7.750   3.167
  813   HG23  ILE  93          HG23      ILE  93   3.230   6.818   4.409
  814   HD11  ILE  93          HD11      ILE  93   0.559   6.578   2.993
  815   HD12  ILE  93          HD12      ILE  93  -0.423   7.972   3.444
  816   HD13  ILE  93          HD13      ILE  93  -0.990   6.340   3.803
  817    H    ALA  94           H        ALA  94   4.713   8.616   6.290
  818    HA   ALA  94           HA       ALA  94   4.642  11.514   6.087
  819    HB1  ALA  94           HB1      ALA  94   5.938  11.957   8.056
  820    HB2  ALA  94           HB2      ALA  94   5.707  10.285   8.641
  821    HB3  ALA  94           HB3      ALA  94   4.318  11.377   8.506
  822    H    GLU  95           H        GLU  95   6.589  12.464   5.490
  823    HA   GLU  95           HA       GLU  95   8.364  10.838   4.037
  824    HB2  GLU  95           HB2      GLU  95   9.042  13.649   4.892
  825    HB3  GLU  95           HB3      GLU  95   9.323  12.718   3.588
  826    HG2  GLU  95           HG2      GLU  95   7.887  13.792   2.547
  827    HG3  GLU  95           HG3      GLU  95   6.771  12.738   3.235
  828    H    ALA  96           H        ALA  96  10.242  10.013   4.488
  829    HA   ALA  96           HA       ALA  96  11.376  10.435   7.191
  830    HB1  ALA  96           HB1      ALA  96  11.819   8.150   7.502
  831    HB2  ALA  96           HB2      ALA  96  11.532   7.785   5.793
  832    HB3  ALA  96           HB3      ALA  96  10.175   8.199   6.855
  833    H    SER  97           H        SER  97  13.552  10.712   7.310
  834    HA   SER  97           HA       SER  97  15.020  10.664   4.758
  835    HB2  SER  97           HB2      SER  97  16.584  12.265   5.944
  836    HB3  SER  97           HB3      SER  97  15.001  12.868   5.568
  837    HG   SER  97           HG       SER  97  15.198  11.641   8.025
  838    H    GLU  98           H        GLU  98  16.602   9.230   4.529
  839    HA   GLU  98           HA       GLU  98  17.890   8.150   6.943
  840    HB2  GLU  98           HB2      GLU  98  16.961   6.596   4.521
  841    HB3  GLU  98           HB3      GLU  98  17.959   5.921   5.777
  842    HG2  GLU  98           HG2      GLU  98  15.519   7.155   6.735
  843    HG3  GLU  98           HG3      GLU  98  15.329   5.705   5.749
  844    H    ASP  99           H        ASP  99  19.634   6.400   5.386
  845    HA   ASP  99           HA       ASP  99  21.605   8.281   4.647
  846    HB2  ASP  99           HB2      ASP  99  21.482   5.286   4.835
  847    HB3  ASP  99           HB3      ASP  99  22.852   6.073   4.055
  848    H    GLY 100           H        GLY 100  19.046   7.879   3.000
  849    HA2  GLY 100           HA2      GLY 100  18.895   8.451   0.702
  850    HA3  GLY 100           HA3      GLY 100  20.464   7.715   0.410
  851    H    PHE 101           H        PHE 101  17.052   7.061   0.975
  852    HA   PHE 101           HA       PHE 101  17.114   4.275   0.677
  853    HB2  PHE 101           HB2      PHE 101  15.156   6.225   1.084
  854    HB3  PHE 101           HB3      PHE 101  14.708   5.460  -0.435
  855    HD1  PHE 101           HD2      PHE 101  15.781   4.542   3.023
  856    HD2  PHE 101           HD1      PHE 101  13.386   3.585  -0.362
  857    HE1  PHE 101           HE2      PHE 101  14.807   2.658   4.252
  858    HE2  PHE 101           HE1      PHE 101  12.386   1.731   0.831
  859    HZ   PHE 101           HZ       PHE 101  13.108   1.236   3.181
  860    HA   PRO 102           HA       PRO 102  18.067   3.443  -3.556
  861    HB2  PRO 102           HB2      PRO 102  15.674   1.662  -3.492
  862    HB3  PRO 102           HB3      PRO 102  17.331   1.304  -4.001
  863    HG2  PRO 102           HG2      PRO 102  16.450   0.433  -1.661
  864    HG3  PRO 102           HG3      PRO 102  18.104   1.054  -1.833
  865    HD2  PRO 102           HD2      PRO 102  15.719   2.346  -0.597
  866    HD3  PRO 102           HD3      PRO 102  17.437   2.441  -0.130
  867    H    GLU 103           H        GLU 103  17.483   4.167  -5.552
  868    HA   GLU 103           HA       GLU 103  15.266   5.961  -5.729
  869    HB2  GLU 103           HB2      GLU 103  17.626   5.951  -6.944
  870    HB3  GLU 103           HB3      GLU 103  16.729   5.058  -8.166
  871    HG2  GLU 103           HG2      GLU 103  15.245   6.862  -8.529
  872    HG3  GLU 103           HG3      GLU 103  15.824   7.717  -7.100
  873    H    SER 104           H        SER 104  13.638   5.870  -7.453
  874    HA   SER 104           HA       SER 104  12.190   3.450  -7.383
  875    HB2  SER 104           HB2      SER 104  11.747   5.614  -9.433
  876    HB3  SER 104           HB3      SER 104  10.555   4.554  -8.682
  877    HG   SER 104           HG       SER 104  12.018   6.622  -7.400
  878    H    SER 105           H        SER 105  14.562   4.704  -9.585
  879    HA   SER 105           HA       SER 105  13.921   2.848 -11.702
  880    HB2  SER 105           HB2      SER 105  15.457   5.228 -11.462
  881    HB3  SER 105           HB3      SER 105  16.540   3.951 -12.015
  882    HG   SER 105           HG       SER 105  15.442   3.782 -13.839
  883    H    GLN 106           H        GLN 106  15.416   2.543  -8.772
  884    HA   GLN 106           HA       GLN 106  17.021   0.259  -9.721
  885    HB2  GLN 106           HB2      GLN 106  17.646   1.946  -7.304
  886    HB3  GLN 106           HB3      GLN 106  18.633   0.691  -7.981
  887    HG2  GLN 106           HG2      GLN 106  18.688   2.184 -10.094
  888    HG3  GLN 106           HG3      GLN 106  18.088   3.442  -9.014
  889   HE21  GLN 106          HE21      GLN 106  20.474   0.854  -8.585
  890   HE22  GLN 106          HE22      GLN 106  21.774   1.893  -8.121
  891    H    ILE 107           H        ILE 107  14.235   0.883  -8.395
  892    HA   ILE 107           HA       ILE 107  14.427  -0.896  -6.088
  893    HB   ILE 107           HB       ILE 107  12.388   1.054  -7.060
  894   HG12  ILE 107          HG12      ILE 107  13.178   0.444  -4.224
  895   HG13  ILE 107          HG13      ILE 107  14.226   1.402  -5.266
  896   HG21  ILE 107          HG21      ILE 107  10.681   0.163  -5.564
  897   HG22  ILE 107          HG22      ILE 107  11.729  -1.209  -5.160
  898   HG23  ILE 107          HG23      ILE 107  11.102  -1.016  -6.805
  899   HD11  ILE 107          HD11      ILE 107  11.431   2.251  -5.184
  900   HD12  ILE 107          HD12      ILE 107  12.925   3.194  -5.155
  901   HD13  ILE 107          HD13      ILE 107  12.330   2.410  -3.672
  902    HA   PRO 108           HA       PRO 108  13.335  -4.431  -8.633
  903    HB2  PRO 108           HB2      PRO 108  12.461  -5.454  -5.974
  904    HB3  PRO 108           HB3      PRO 108  13.504  -6.214  -7.183
  905    HG2  PRO 108           HG2      PRO 108  14.562  -5.176  -4.989
  906    HG3  PRO 108           HG3      PRO 108  15.368  -4.988  -6.561
  907    HD2  PRO 108           HD2      PRO 108  13.787  -2.995  -5.004
  908    HD3  PRO 108           HD3      PRO 108  15.238  -2.760  -6.000
  909    H    GLU 109           H        GLU 109  11.404  -5.732  -9.041
  910    HA   GLU 109           HA       GLU 109   8.928  -4.313  -8.297
  911    HB2  GLU 109           HB2      GLU 109   8.061  -5.132 -10.548
  912    HB3  GLU 109           HB3      GLU 109   9.255  -3.844 -10.592
  913    HG2  GLU 109           HG2      GLU 109  10.973  -5.341 -11.252
  914    HG3  GLU 109           HG3      GLU 109   9.954  -6.745 -10.937
  915    H    ASN 110           H        ASN 110  10.502  -6.912  -7.486
  916    HA   ASN 110           HA       ASN 110   8.970  -9.153  -8.048
  917    HB2  ASN 110           HB2      ASN 110  11.207  -8.765  -6.630
  918    HB3  ASN 110           HB3      ASN 110  10.068  -8.897  -5.294
  919   HD21  ASN 110          HD21      ASN 110  11.992 -10.573  -7.452
  920   HD22  ASN 110          HD22      ASN 110  11.356 -12.158  -7.192
  921    H    THR 111           H        THR 111   6.953  -9.699  -7.589
  922    HA   THR 111           HA       THR 111   5.418  -8.110  -5.706
  923    HB   THR 111           HB       THR 111   3.826 -10.205  -6.773
  924    HG1  THR 111           HG1      THR 111   5.608  -9.014  -8.639
  925   HG21  THR 111          HG21      THR 111   3.117  -7.893  -6.211
  926   HG22  THR 111          HG22      THR 111   2.623  -8.385  -7.830
  927   HG23  THR 111          HG23      THR 111   4.003  -7.310  -7.619
  928    HA   PRO 112           HA       PRO 112   6.276 -11.160  -2.492
  929    HB2  PRO 112           HB2      PRO 112   4.144  -9.605  -1.131
  930    HB3  PRO 112           HB3      PRO 112   5.761 -10.045  -0.561
  931    HG2  PRO 112           HG2      PRO 112   5.260  -7.557  -1.318
  932    HG3  PRO 112           HG3      PRO 112   6.800  -8.339  -1.733
  933    HD2  PRO 112           HD2      PRO 112   4.413  -7.852  -3.461
  934    HD3  PRO 112           HD3      PRO 112   6.140  -7.711  -3.852
  935    H    THR 113           H        THR 113   5.314 -13.071  -2.010
  936    HA   THR 113           HA       THR 113   2.429 -13.371  -2.122
  937    HB   THR 113           HB       THR 113   3.653 -15.514  -3.666
  938    HG1  THR 113           HG1      THR 113   3.829 -14.053  -5.570
  939   HG21  THR 113          HG21      THR 113   1.239 -15.126  -3.491
  940   HG22  THR 113          HG22      THR 113   1.779 -15.040  -5.167
  941   HG23  THR 113          HG23      THR 113   1.433 -13.559  -4.275
  942    H    ALA 114           H        ALA 114   1.823 -14.649  -0.505
  943    HA   ALA 114           HA       ALA 114   3.676 -15.963   1.172
  944    HB1  ALA 114           HB1      ALA 114   1.723 -16.813   2.360
  945    HB2  ALA 114           HB2      ALA 114   0.683 -16.312   1.026
  946    HB3  ALA 114           HB3      ALA 114   1.536 -15.101   1.983
  947    H    ARG 115           H        ARG 115   3.548 -18.297   1.758
  948    HA   ARG 115           HA       ARG 115   3.737 -19.891  -0.659
  949    HB2  ARG 115           HB2      ARG 115   4.576 -21.658   0.928
  950    HB3  ARG 115           HB3      ARG 115   5.535 -20.186   0.876
  951    HG2  ARG 115           HG2      ARG 115   4.347 -19.420   2.927
  952    HG3  ARG 115           HG3      ARG 115   3.574 -21.004   3.006
  953    HD2  ARG 115           HD2      ARG 115   5.572 -20.815   4.456
  954    HD3  ARG 115           HD3      ARG 115   5.706 -22.088   3.245
  955    HE   ARG 115           HE       ARG 115   6.950 -19.449   2.848
  956   HH11  ARG 115          HH11      ARG 115   7.146 -22.927   2.974
  957   HH12  ARG 115          HH12      ARG 115   8.767 -22.986   2.371
  958   HH21  ARG 115          HH21      ARG 115   9.086 -19.519   2.052
  959   HH22  ARG 115          HH22      ARG 115   9.872 -21.048   1.849
  960    H    ARG 116           H        ARG 116   2.465 -21.608  -1.193
  961    HA   ARG 116           HA       ARG 116   0.053 -22.003   0.452
  962    HB2  ARG 116           HB2      ARG 116   0.480 -22.106  -2.525
  963    HB3  ARG 116           HB3      ARG 116  -0.912 -22.872  -1.773
  964    HG2  ARG 116           HG2      ARG 116  -1.523 -20.677  -0.792
  965    HG3  ARG 116           HG3      ARG 116  -0.197 -19.950  -1.703
  966    HD2  ARG 116           HD2      ARG 116  -1.913 -21.598  -3.369
  967    HD3  ARG 116           HD3      ARG 116  -2.801 -20.298  -2.576
  968    HE   ARG 116           HE       ARG 116  -0.899 -20.042  -4.693
  969   HH11  ARG 116          HH11      ARG 116  -2.265 -18.429  -1.922
  970   HH12  ARG 116          HH12      ARG 116  -1.923 -16.839  -2.516
  971   HH21  ARG 116          HH21      ARG 116  -0.444 -17.952  -5.484
  972   HH22  ARG 116          HH22      ARG 116  -0.888 -16.568  -4.542
  973    H    ARG 117           H        ARG 117  -0.756 -24.111   0.727
  974    HA   ARG 117           HA       ARG 117   1.286 -26.137   0.819
  975    HB2  ARG 117           HB2      ARG 117  -1.641 -26.515   1.435
  976    HB3  ARG 117           HB3      ARG 117  -0.279 -27.445   2.043
  977    HG2  ARG 117           HG2      ARG 117   0.474 -25.533   3.338
  978    HG3  ARG 117           HG3      ARG 117  -0.854 -24.563   2.698
  979    HD2  ARG 117           HD2      ARG 117  -1.519 -27.138   4.020
  980    HD3  ARG 117           HD3      ARG 117  -1.011 -25.794   5.042
  981    HE   ARG 117           HE       ARG 117  -2.958 -24.839   3.293
  982   HH11  ARG 117          HH11      ARG 117  -2.691 -27.118   5.918
  983   HH12  ARG 117          HH12      ARG 117  -4.335 -26.922   6.425
  984   HH21  ARG 117          HH21      ARG 117  -5.123 -24.575   3.955
  985   HH22  ARG 117          HH22      ARG 117  -5.717 -25.477   5.308
  Start of MODEL    3
    1    H5'   DT   1           H5'       DT   1 -19.044  -3.949   6.425
    2   H5''   DT   1          H5''       DT   1 -19.099  -4.138   8.189
    3    H4'   DT   1           H4'       DT   1 -16.858  -4.149   8.411
    4    H3'   DT   1           H3'       DT   1 -16.712  -2.182   6.154
    5    H2'   DT   1           H2'       DT   1 -14.491  -2.954   5.623
    6   H2''   DT   1          H2''       DT   1 -14.337  -3.833   7.137
    7    H1'   DT   1           H1'       DT   1 -15.062  -5.645   5.784
    8    H3    DT   1           H3        DT   1 -16.877  -6.213   1.646
    9    H71   DT   1           H71       DT   1 -16.068  -1.580   1.058
   10    H72   DT   1           H72       DT   1 -17.706  -1.451   1.740
   11    H73   DT   1           H73       DT   1 -16.298  -0.948   2.705
   12    H6    DT   1           H6        DT   1 -15.987  -2.453   4.442
   13   HO5'   DT   1          HO5'       DT   1 -17.983  -1.780   7.568
   14    H5'   DT   2           H5'       DT   2 -13.064  -1.827   7.527
   15   H5''   DT   2          H5''       DT   2 -12.800  -0.248   8.299
   16    H4'   DT   2           H4'       DT   2 -12.418   0.017   5.484
   17    H3'   DT   2           H3'       DT   2 -11.005  -2.369   6.646
   18    H2'   DT   2           H2'       DT   2  -9.092  -1.777   5.323
   19   H2''   DT   2          H2''       DT   2 -10.006  -0.634   4.352
   20    H1'   DT   2           H1'       DT   2  -9.194   0.921   5.987
   21    H3    DT   2           H3        DT   2  -7.818   0.341  10.473
   22    H71   DT   2           H71       DT   2  -6.057  -3.680   8.975
   23    H72   DT   2           H72       DT   2  -6.762  -3.897   7.356
   24    H73   DT   2           H73       DT   2  -7.715  -4.303   8.804
   25    H6    DT   2           H6        DT   2  -8.283  -2.227   6.493
   26    H5'   DT   3           H5'       DT   3 -13.540  -5.314   2.023
   27   H5''   DT   3          H5''       DT   3 -11.878  -4.701   2.140
   28    H4'   DT   3           H4'       DT   3 -14.312  -3.447   1.073
   29    H3'   DT   3           H3'       DT   3 -11.766  -3.953   0.079
   30    H2'   DT   3           H2'       DT   3 -10.726  -2.102   1.210
   31   H2''   DT   3          H2''       DT   3 -11.217  -1.345  -0.298
   32    H1'   DT   3           H1'       DT   3 -13.413  -0.715   0.692
   33    H3    DT   3           H3        DT   3 -13.254   2.745   3.540
   34    H71   DT   3           H71       DT   3  -8.923   1.982   4.646
   35    H72   DT   3           H72       DT   3  -8.309   1.435   3.068
   36    H73   DT   3           H73       DT   3  -8.730   0.243   4.320
   37    H6    DT   3           H6        DT   3 -10.136  -0.635   2.300
   38    H5'   DT   4           H5'       DT   4 -14.644  -1.811  -2.719
   39   H5''   DT   4          H5''       DT   4 -14.573  -1.995  -4.483
   40    H4'   DT   4           H4'       DT   4 -13.538   0.094  -3.458
   41    H3'   DT   4           H3'       DT   4 -12.386  -1.591  -5.588
   42    H2'   DT   4           H2'       DT   4 -10.169  -1.037  -5.131
   43   H2''   DT   4          H2''       DT   4 -10.598   0.666  -5.017
   44    H1'   DT   4           H1'       DT   4 -10.844   0.653  -2.744
   45    H3    DT   4           H3        DT   4  -6.360  -1.036  -2.649
   46    H71   DT   4           H71       DT   4  -8.055  -4.240   0.181
   47    H72   DT   4           H72       DT   4  -9.015  -3.058   1.101
   48    H73   DT   4           H73       DT   4  -9.819  -4.154  -0.047
   49    H6    DT   4           H6        DT   4 -10.766  -2.240  -1.280
   50    H5'   DT   5           H5'       DT   5 -13.519  -1.522  -8.484
   51   H5''   DT   5          H5''       DT   5 -12.643  -2.549  -7.329
   52    H4'   DT   5           H4'       DT   5 -11.948  -1.895 -10.182
   53    H3'   DT   5           H3'       DT   5 -13.397  -3.992  -9.434
   54    H2'   DT   5           H2'       DT   5 -11.957  -4.898  -7.752
   55   H2''   DT   5          H2''       DT   5 -11.403  -5.802  -9.155
   56    H1'   DT   5           H1'       DT   5  -9.494  -4.438  -9.468
   57    H3    DT   5           H3        DT   5  -6.546  -4.742  -6.140
   58    H71   DT   5           H71       DT   5  -9.661  -4.040  -2.888
   59    H72   DT   5           H72       DT   5 -11.205  -4.334  -3.722
   60    H73   DT   5           H73       DT   5 -10.526  -2.691  -3.661
   61    H6    DT   5           H6        DT   5 -11.204  -3.754  -6.253
   62    H5'   DT   6           H5'       DT   6 -10.686  -6.188 -13.242
   63   H5''   DT   6          H5''       DT   6 -10.212  -7.726 -12.493
   64    H4'   DT   6           H4'       DT   6  -9.751  -5.138 -11.063
   65    H3'   DT   6           H3'       DT   6  -8.207  -6.039 -13.451
   66   HO3'   DT   6          HO3'       DT   6  -9.373  -3.874 -12.474
   67    H2'   DT   6           H2'       DT   6  -6.111  -5.675 -12.330
   68   H2''   DT   6          H2''       DT   6  -6.861  -4.747 -11.037
   69    H1'   DT   6           H1'       DT   6  -6.791  -6.858  -9.949
   70    H3    DT   6           H3        DT   6  -4.277  -9.983 -12.140
   71    H71   DT   6           H71       DT   6  -9.150 -10.117 -14.264
   72    H72   DT   6           H72       DT   6  -9.041 -11.410 -13.046
   73    H73   DT   6           H73       DT   6  -7.962 -11.427 -14.462
   74    H6    DT   6           H6        DT   6  -8.801  -8.496 -12.385
   75    H1   MET   1           H        MET   1  11.834  -2.090  14.802
   76    H1   MET   1           HT1      MET   1  11.447  -1.057  13.519
   77    H2   MET   1           H2       MET   1  11.944  -2.643  13.207
   78    HA   MET   1           HA       MET   1   9.979  -3.527  14.231
   79    HB2  MET   1           HB2      MET   1   9.341  -0.612  14.701
   80    HB3  MET   1           HB3      MET   1   8.160  -1.905  14.860
   81    HG2  MET   1           HG2      MET   1  10.294  -2.748  16.404
   82    HG3  MET   1           HG3      MET   1  10.197  -1.015  16.707
   83    HE1  MET   1           HE1      MET   1   9.864  -2.623  19.186
   84    HE2  MET   1           HE2      MET   1   9.396  -4.081  18.310
   85    HE3  MET   1           HE3      MET   1   8.313  -3.394  19.521
   86    H    GLU   2           H        GLU   2  11.106  -2.252  11.657
   87    HA   GLU   2           HA       GLU   2   8.551  -2.209  10.192
   88    HB2  GLU   2           HB2      GLU   2   9.999  -0.930   8.441
   89    HB3  GLU   2           HB3      GLU   2   9.365  -0.067   9.837
   90    HG2  GLU   2           HG2      GLU   2  11.931  -1.203  10.448
   91    HG3  GLU   2           HG3      GLU   2  12.020  -0.223   8.986
   92    H    GLU   3           H        GLU   3   8.257  -3.716   8.683
   93    HA   GLU   3           HA       GLU   3  10.480  -5.519   8.095
   94    HB2  GLU   3           HB2      GLU   3   8.889  -7.142   7.498
   95    HB3  GLU   3           HB3      GLU   3   8.199  -6.332   8.897
   96    HG2  GLU   3           HG2      GLU   3   7.038  -4.854   7.062
   97    HG3  GLU   3           HG3      GLU   3   7.345  -6.265   6.050
   98    H    LYS   4           H        LYS   4  10.387  -6.517   5.808
   99    HA   LYS   4           HA       LYS   4  10.467  -4.231   3.902
  100    HB2  LYS   4           HB2      LYS   4  11.646  -6.056   2.487
  101    HB3  LYS   4           HB3      LYS   4  12.514  -5.285   3.806
  102    HG2  LYS   4           HG2      LYS   4  11.034  -7.769   4.426
  103    HG3  LYS   4           HG3      LYS   4  12.491  -7.913   3.444
  104    HD2  LYS   4           HD2      LYS   4  12.716  -6.198   5.833
  105    HD3  LYS   4           HD3      LYS   4  12.481  -7.919   6.146
  106    HE2  LYS   4           HE2      LYS   4  14.370  -8.023   4.219
  107    HE3  LYS   4           HE3      LYS   4  14.789  -6.494   4.990
  108    HZ1  LYS   4           HZ1      LYS   4  14.503  -9.108   6.372
  109    HZ2  LYS   4           HZ2      LYS   4  14.907  -7.643   7.113
  110    HZ3  LYS   4           HZ3      LYS   4  15.966  -8.344   5.997
  111    H    VAL   5           H        VAL   5   9.983  -4.952   1.572
  112    HA   VAL   5           HA       VAL   5   7.232  -5.716   1.477
  113    HB   VAL   5           HB       VAL   5   9.191  -5.299  -0.790
  114   HG11  VAL   5          HG11      VAL   5   7.336  -6.554  -1.607
  115   HG12  VAL   5          HG12      VAL   5   7.113  -4.878  -2.116
  116   HG13  VAL   5          HG13      VAL   5   6.190  -5.518  -0.757
  117   HG21  VAL   5          HG21      VAL   5   7.198  -3.401   0.444
  118   HG22  VAL   5          HG22      VAL   5   8.197  -3.071  -0.972
  119   HG23  VAL   5          HG23      VAL   5   8.952  -3.312   0.605
  120    H    GLY   6           H        GLY   6  10.287  -7.296   0.707
  121    HA2  GLY   6           HA2      GLY   6   9.053  -9.592  -0.498
  122    HA3  GLY   6           HA3      GLY   6  10.747  -9.425  -0.064
  123    H    ASN   7           H        ASN   7   8.947  -8.626   2.602
  124    HA   ASN   7           HA       ASN   7   8.908 -11.398   3.590
  125    HB2  ASN   7           HB2      ASN   7  10.821  -9.778   4.367
  126    HB3  ASN   7           HB3      ASN   7   9.573  -9.135   5.428
  127   HD21  ASN   7          HD21      ASN   7  10.093  -9.857   7.364
  128   HD22  ASN   7          HD22      ASN   7  10.401 -11.472   7.776
  129    H    LEU   8           H        LEU   8   7.051  -8.806   2.871
  130    HA   LEU   8           HA       LEU   8   5.390  -8.703   5.221
  131    HB2  LEU   8           HB2      LEU   8   4.315  -6.976   4.212
  132    HB3  LEU   8           HB3      LEU   8   5.794  -6.938   3.275
  133    HG   LEU   8           HG       LEU   8   4.302  -8.648   1.781
  134   HD11  LEU   8          HD11      LEU   8   2.179  -8.616   2.495
  135   HD12  LEU   8          HD12      LEU   8   2.120  -6.974   1.761
  136   HD13  LEU   8          HD13      LEU   8   2.471  -7.169   3.498
  137   HD21  LEU   8          HD21      LEU   8   5.501  -6.842   0.825
  138   HD22  LEU   8          HD22      LEU   8   4.500  -5.653   1.660
  139   HD23  LEU   8          HD23      LEU   8   3.808  -6.637   0.372
  140    H    LYS   9           H        LYS   9   3.192  -9.455   5.348
  141    HA   LYS   9           HA       LYS   9   2.331 -11.375   3.394
  142    HB2  LYS   9           HB2      LYS   9   1.782 -12.857   4.991
  143    HB3  LYS   9           HB3      LYS   9   3.381 -12.402   5.311
  144    HG2  LYS   9           HG2      LYS   9   2.804 -11.820   7.410
  145    HG3  LYS   9           HG3      LYS   9   1.551 -10.791   6.762
  146    HD2  LYS   9           HD2      LYS   9   0.191 -12.220   7.895
  147    HD3  LYS   9           HD3      LYS   9   0.370 -13.177   6.422
  148    HE2  LYS   9           HE2      LYS   9   1.141 -14.817   7.717
  149    HE3  LYS   9           HE3      LYS   9   2.592 -13.840   7.941
  150    HZ1  LYS   9           HZ1      LYS   9   1.571 -12.846   9.896
  151    HZ2  LYS   9           HZ2      LYS   9   1.663 -14.527  10.056
  152    HZ3  LYS   9           HZ3      LYS   9   0.186 -13.794   9.682
  153    HA   PRO  10           HA       PRO  10  -1.517  -9.231   3.731
  154    HB2  PRO  10           HB2      PRO  10  -3.265 -11.080   2.863
  155    HB3  PRO  10           HB3      PRO  10  -2.098 -10.312   1.811
  156    HG2  PRO  10           HG2      PRO  10  -2.006 -13.007   3.086
  157    HG3  PRO  10           HG3      PRO  10  -1.524 -12.550   1.441
  158    HD2  PRO  10           HD2      PRO  10   0.321 -12.847   3.486
  159    HD3  PRO  10           HD3      PRO  10   0.529 -11.831   2.095
  160    H    ASN  11           H        ASN  11  -3.656  -9.295   4.711
  161    HA   ASN  11           HA       ASN  11  -5.161  -9.688   6.401
  162    HB2  ASN  11           HB2      ASN  11  -3.849 -12.302   6.110
  163    HB3  ASN  11           HB3      ASN  11  -4.553 -12.019   7.700
  164   HD21  ASN  11          HD21      ASN  11  -5.216 -12.118   4.254
  165   HD22  ASN  11          HD22      ASN  11  -6.931 -12.431   4.408
  166    H    MET  12           H        MET  12  -2.482  -8.378   6.860
  167    HA   MET  12           HA       MET  12  -2.254  -8.800   9.714
  168    HB2  MET  12           HB2      MET  12  -0.414  -7.478   7.717
  169    HB3  MET  12           HB3      MET  12  -0.163  -7.527   9.408
  170    HG2  MET  12           HG2      MET  12  -0.530 -10.152   8.898
  171    HG3  MET  12           HG3      MET  12   0.226  -9.563   7.426
  172    HE1  MET  12           HE1      MET  12   2.602  -8.793   7.151
  173    HE2  MET  12           HE2      MET  12   3.728  -8.459   8.488
  174    HE3  MET  12           HE3      MET  12   2.334  -7.411   8.226
  175    H    GLU  13           H        GLU  13  -3.052  -7.335  11.070
  176    HA   GLU  13           HA       GLU  13  -4.205  -4.901  10.019
  177    HB2  GLU  13           HB2      GLU  13  -4.139  -5.364  12.945
  178    HB3  GLU  13           HB3      GLU  13  -5.460  -4.822  11.922
  179    HG2  GLU  13           HG2      GLU  13  -5.308  -7.319  11.048
  180    HG3  GLU  13           HG3      GLU  13  -4.625  -7.567  12.654
  181    H    SER  14           H        SER  14  -1.190  -5.489  10.403
  182    HA   SER  14           HA       SER  14  -0.507  -2.790  11.135
  183    HB2  SER  14           HB2      SER  14   1.253  -3.734  12.820
  184    HB3  SER  14           HB3      SER  14  -0.410  -3.506  13.355
  185    HG   SER  14           HG       SER  14   0.757  -5.938  12.477
  186    H    VAL  15           H        VAL  15   0.822  -2.248   9.532
  187    HA   VAL  15           HA       VAL  15   3.050  -4.053   8.894
  188    HB   VAL  15           HB       VAL  15   1.903  -2.620   6.581
  189   HG11  VAL  15          HG11      VAL  15   2.509  -4.705   5.441
  190   HG12  VAL  15          HG12      VAL  15   2.943  -5.422   6.993
  191   HG13  VAL  15          HG13      VAL  15   3.858  -4.048   6.370
  192   HG21  VAL  15          HG21      VAL  15  -0.014  -3.816   6.281
  193   HG22  VAL  15          HG22      VAL  15  -0.002  -3.750   8.045
  194   HG23  VAL  15          HG23      VAL  15   0.569  -5.196   7.211
  195    H    ASN  16           H        ASN  16   4.803  -2.939   9.370
  196    HA   ASN  16           HA       ASN  16   4.947  -0.073   8.738
  197    HB2  ASN  16           HB2      ASN  16   5.627  -1.494  11.032
  198    HB3  ASN  16           HB3      ASN  16   7.125  -0.976  10.285
  199   HD21  ASN  16          HD21      ASN  16   6.775   1.387   9.344
  200   HD22  ASN  16          HD22      ASN  16   6.206   2.500  10.559
  201    H    VAL  17           H        VAL  17   6.260   0.587   7.117
  202    HA   VAL  17           HA       VAL  17   8.611  -0.942   6.423
  203    HB   VAL  17           HB       VAL  17   7.161  -2.335   5.289
  204   HG11  VAL  17          HG11      VAL  17   5.263  -0.561   5.515
  205   HG12  VAL  17          HG12      VAL  17   5.182  -1.796   4.235
  206   HG13  VAL  17          HG13      VAL  17   5.721  -0.163   3.843
  207   HG21  VAL  17          HG21      VAL  17   8.986  -1.753   3.828
  208   HG22  VAL  17          HG22      VAL  17   8.161  -0.281   3.318
  209   HG23  VAL  17          HG23      VAL  17   7.528  -1.856   2.841
  210    H    THR  18           H        THR  18   9.957   0.083   4.898
  211    HA   THR  18           HA       THR  18   9.290   2.887   4.308
  212    HB   THR  18           HB       THR  18  12.149   2.168   4.280
  213    HG1  THR  18           HG1      THR  18  12.204   2.313   6.644
  214   HG21  THR  18          HG21      THR  18  10.439   4.467   4.788
  215   HG22  THR  18          HG22      THR  18  12.125   4.409   4.240
  216   HG23  THR  18          HG23      THR  18  11.741   4.321   5.970
  217    H    VAL  19           H        VAL  19   9.398   3.458   2.139
  218    HA   VAL  19           HA       VAL  19  10.814   1.874   0.278
  219    HB   VAL  19           HB       VAL  19   8.882   1.451  -1.203
  220   HG11  VAL  19          HG11      VAL  19   9.580  -0.365   0.109
  221   HG12  VAL  19          HG12      VAL  19   7.783  -0.211   0.031
  222   HG13  VAL  19          HG13      VAL  19   8.713   0.322   1.542
  223   HG21  VAL  19          HG21      VAL  19   7.307   3.089  -0.582
  224   HG22  VAL  19          HG22      VAL  19   7.357   2.606   1.111
  225   HG23  VAL  19          HG23      VAL  19   6.596   1.551  -0.079
  226    H    ARG  20           H        ARG  20  10.124   2.741  -2.037
  227    HA   ARG  20           HA       ARG  20  10.017   5.626  -1.868
  228    HB2  ARG  20           HB2      ARG  20  12.173   4.514  -2.627
  229    HB3  ARG  20           HB3      ARG  20  11.348   4.082  -4.087
  230    HG2  ARG  20           HG2      ARG  20  12.093   6.086  -4.865
  231    HG3  ARG  20           HG3      ARG  20  10.880   6.819  -3.812
  232    HD2  ARG  20           HD2      ARG  20  12.488   6.987  -2.017
  233    HD3  ARG  20           HD3      ARG  20  13.697   6.145  -2.981
  234    HE   ARG  20           HE       ARG  20  12.656   8.838  -3.567
  235   HH11  ARG  20          HH11      ARG  20  15.162   6.418  -3.758
  236   HH12  ARG  20          HH12      ARG  20  16.301   7.475  -4.520
  237   HH21  ARG  20          HH21      ARG  20  14.153  10.235  -4.571
  238   HH22  ARG  20          HH22      ARG  20  15.728   9.644  -4.981
  239    H    VAL  21           H        VAL  21   8.894   6.779  -3.560
  240    HA   VAL  21           HA       VAL  21   6.493   5.371  -4.395
  241    HB   VAL  21           HB       VAL  21   7.455   8.158  -5.301
  242   HG11  VAL  21          HG11      VAL  21   5.069   8.568  -5.603
  243   HG12  VAL  21          HG12      VAL  21   4.744   6.886  -5.182
  244   HG13  VAL  21          HG13      VAL  21   5.658   7.268  -6.640
  245   HG21  VAL  21          HG21      VAL  21   6.168   9.051  -3.457
  246   HG22  VAL  21          HG22      VAL  21   7.481   8.025  -2.875
  247   HG23  VAL  21          HG23      VAL  21   5.827   7.413  -2.897
  248    H    LEU  22           H        LEU  22   6.171   4.345  -6.234
  249    HA   LEU  22           HA       LEU  22   8.126   4.555  -8.404
  250    HB2  LEU  22           HB2      LEU  22   6.069   2.391  -7.991
  251    HB3  LEU  22           HB3      LEU  22   7.442   2.368  -9.043
  252    HG   LEU  22           HG       LEU  22   7.487   2.215  -6.058
  253   HD11  LEU  22          HD11      LEU  22   8.494   0.250  -8.102
  254   HD12  LEU  22          HD12      LEU  22   6.902   0.159  -7.349
  255   HD13  LEU  22          HD13      LEU  22   8.354   0.019  -6.359
  256   HD21  LEU  22          HD21      LEU  22   9.888   2.158  -7.871
  257   HD22  LEU  22          HD22      LEU  22   9.841   2.205  -6.109
  258   HD23  LEU  22          HD23      LEU  22   9.341   3.614  -7.035
  259    H    GLU  23           H        GLU  23   4.872   5.052  -7.498
  260    HA   GLU  23           HA       GLU  23   4.313   6.489  -9.967
  261    HB2  GLU  23           HB2      GLU  23   3.869   3.924 -10.335
  262    HB3  GLU  23           HB3      GLU  23   2.402   4.249  -9.423
  263    HG2  GLU  23           HG2      GLU  23   1.481   4.800 -11.366
  264    HG3  GLU  23           HG3      GLU  23   2.446   6.271 -11.290
  265    H    ALA  24           H        ALA  24   2.024   7.378  -9.930
  266    HA   ALA  24           HA       ALA  24   0.637   7.387  -7.424
  267    HB1  ALA  24           HB1      ALA  24   2.103   9.898  -8.239
  268    HB2  ALA  24           HB2      ALA  24   2.505   8.867  -6.866
  269    HB3  ALA  24           HB3      ALA  24   0.976   9.748  -6.891
  270    H    SER  25           H        SER  25  -1.451   7.716  -7.818
  271    HA   SER  25           HA       SER  25  -2.187   9.093 -10.324
  272    HB2  SER  25           HB2      SER  25  -2.786   6.518  -9.673
  273    HB3  SER  25           HB3      SER  25  -4.209   7.356  -9.055
  274    HG   SER  25           HG       SER  25  -3.957   6.633 -11.451
  275    H    GLU  26           H        GLU  26  -4.063  10.451 -10.294
  276    HA   GLU  26           HA       GLU  26  -4.256  12.075  -8.005
  277    HB2  GLU  26           HB2      GLU  26  -6.248  11.962 -10.269
  278    HB3  GLU  26           HB3      GLU  26  -5.886  13.311  -9.220
  279    HG2  GLU  26           HG2      GLU  26  -3.885  12.133 -11.109
  280    HG3  GLU  26           HG3      GLU  26  -4.955  13.468 -11.534
  281    H    ALA  27           H        ALA  27  -6.095  12.503  -6.735
  282    HA   ALA  27           HA       ALA  27  -7.224  10.076  -5.753
  283    HB1  ALA  27           HB1      ALA  27  -7.959  11.464  -3.901
  284    HB2  ALA  27           HB2      ALA  27  -7.506  12.911  -4.804
  285    HB3  ALA  27           HB3      ALA  27  -6.250  11.751  -4.308
  286    H    ARG  28           H        ARG  28  -9.113   9.237  -6.066
  287    HA   ARG  28           HA       ARG  28 -11.265  10.814  -7.311
  288    HB2  ARG  28           HB2      ARG  28 -10.372   9.613  -9.136
  289    HB3  ARG  28           HB3      ARG  28 -10.088   8.175  -8.173
  290    HG2  ARG  28           HG2      ARG  28 -12.769   8.308  -8.017
  291    HG3  ARG  28           HG3      ARG  28 -12.515   9.070  -9.588
  292    HD2  ARG  28           HD2      ARG  28 -11.490   7.158 -10.474
  293    HD3  ARG  28           HD3      ARG  28 -11.199   6.467  -8.880
  294    HE   ARG  28           HE       ARG  28 -13.933   6.763  -9.929
  295   HH11  ARG  28          HH11      ARG  28 -11.373   4.766  -8.639
  296   HH12  ARG  28          HH12      ARG  28 -12.385   3.374  -8.446
  297   HH21  ARG  28          HH21      ARG  28 -15.266   4.929  -9.666
  298   HH22  ARG  28          HH22      ARG  28 -14.591   3.465  -9.030
  299    H    GLN  29           H        GLN  29 -13.411   9.790  -7.080
  300    HA   GLN  29           HA       GLN  29 -13.756   8.685  -4.414
  301    HB2  GLN  29           HB2      GLN  29 -15.640   9.853  -6.452
  302    HB3  GLN  29           HB3      GLN  29 -16.224   9.032  -5.012
  303    HG2  GLN  29           HG2      GLN  29 -14.871  10.639  -3.670
  304    HG3  GLN  29           HG3      GLN  29 -14.577  11.535  -5.159
  305   HE21  GLN  29          HE21      GLN  29 -15.971  12.333  -2.718
  306   HE22  GLN  29          HE22      GLN  29 -17.562  12.799  -3.207
  307    H    ILE  30           H        ILE  30 -14.687   6.723  -3.957
  308    HA   ILE  30           HA       ILE  30 -15.300   4.976  -6.250
  309    HB   ILE  30           HB       ILE  30 -14.486   3.065  -5.044
  310   HG12  ILE  30          HG12      ILE  30 -13.740   4.864  -2.743
  311   HG13  ILE  30          HG13      ILE  30 -15.266   3.987  -2.822
  312   HG21  ILE  30          HG21      ILE  30 -12.552   5.371  -4.978
  313   HG22  ILE  30          HG22      ILE  30 -12.706   4.109  -6.202
  314   HG23  ILE  30          HG23      ILE  30 -12.067   3.712  -4.601
  315   HD11  ILE  30          HD11      ILE  30 -14.210   1.914  -2.637
  316   HD12  ILE  30          HD12      ILE  30 -13.340   2.947  -1.502
  317   HD13  ILE  30          HD13      ILE  30 -12.637   2.575  -3.076
  318    H    GLN  31           H        GLN  31 -16.865   3.222  -5.643
  319    HA   GLN  31           HA       GLN  31 -18.865   4.228  -3.740
  320    HB2  GLN  31           HB2      GLN  31 -19.177   2.858  -6.400
  321    HB3  GLN  31           HB3      GLN  31 -20.471   2.827  -5.210
  322    HG2  GLN  31           HG2      GLN  31 -20.552   5.261  -5.221
  323    HG3  GLN  31           HG3      GLN  31 -19.239   5.303  -6.399
  324   HE21  GLN  31          HE21      GLN  31 -19.644   4.727  -8.524
  325   HE22  GLN  31          HE22      GLN  31 -21.243   4.572  -9.157
  326    H    THR  32           H        THR  32 -18.954   3.041  -1.966
  327    HA   THR  32           HA       THR  32 -18.454   0.142  -2.177
  328    HB   THR  32           HB       THR  32 -17.752   0.140   0.131
  329    HG1  THR  32           HG1      THR  32 -17.909   1.898   1.395
  330   HG21  THR  32          HG21      THR  32 -16.466   1.876  -1.870
  331   HG22  THR  32          HG22      THR  32 -15.827   0.479  -1.007
  332   HG23  THR  32          HG23      THR  32 -15.879   2.061  -0.214
  333    H    LYS  33           H        LYS  33 -19.376  -0.840   0.073
  334    HA   LYS  33           HA       LYS  33 -22.235  -0.630  -0.242
  335    HB2  LYS  33           HB2      LYS  33 -22.365  -2.575   1.169
  336    HB3  LYS  33           HB3      LYS  33 -21.055  -2.822   0.023
  337    HG2  LYS  33           HG2      LYS  33 -19.413  -2.336   1.695
  338    HG3  LYS  33           HG3      LYS  33 -20.660  -1.858   2.846
  339    HD2  LYS  33           HD2      LYS  33 -21.564  -4.233   2.586
  340    HD3  LYS  33           HD3      LYS  33 -20.026  -4.603   1.803
  341    HE2  LYS  33           HE2      LYS  33 -18.908  -3.637   3.864
  342    HE3  LYS  33           HE3      LYS  33 -20.500  -3.667   4.622
  343    HZ1  LYS  33           HZ1      LYS  33 -19.065  -6.022   3.518
  344    HZ2  LYS  33           HZ2      LYS  33 -20.592  -6.053   4.247
  345    HZ3  LYS  33           HZ3      LYS  33 -19.227  -5.646   5.159
  346    H    ASN  34           H        ASN  34 -19.898   0.880   1.611
  347    HA   ASN  34           HA       ASN  34 -21.782   1.451   3.805
  348    HB2  ASN  34           HB2      ASN  34 -18.775   1.773   3.695
  349    HB3  ASN  34           HB3      ASN  34 -19.783   2.260   5.054
  350   HD21  ASN  34          HD21      ASN  34 -20.792   0.663   6.308
  351   HD22  ASN  34          HD22      ASN  34 -20.223  -0.967   6.314
  352    H    GLY  35           H        GLY  35 -21.157   2.702   0.952
  353    HA2  GLY  35           HA2      GLY  35 -22.213   4.927   0.613
  354    HA3  GLY  35           HA3      GLY  35 -21.196   5.494   1.929
  355    H    VAL  36           H        VAL  36 -20.172   7.076   0.690
  356    HA   VAL  36           HA       VAL  36 -18.383   5.988  -1.372
  357    HB   VAL  36           HB       VAL  36 -19.991   7.326  -2.513
  358   HG11  VAL  36          HG11      VAL  36 -20.389   9.686  -1.997
  359   HG12  VAL  36          HG12      VAL  36 -19.289   9.577  -0.622
  360   HG13  VAL  36          HG13      VAL  36 -20.794   8.658  -0.621
  361   HG21  VAL  36          HG21      VAL  36 -17.440   8.905  -2.237
  362   HG22  VAL  36          HG22      VAL  36 -18.584   8.995  -3.577
  363   HG23  VAL  36          HG23      VAL  36 -17.685   7.505  -3.282
  364    H    ARG  37           H        ARG  37 -16.343   6.353  -1.229
  365    HA   ARG  37           HA       ARG  37 -15.230   8.255   0.709
  366    HB2  ARG  37           HB2      ARG  37 -13.483   6.591   0.997
  367    HB3  ARG  37           HB3      ARG  37 -14.946   6.408   1.893
  368    HG2  ARG  37           HG2      ARG  37 -14.628   4.940  -0.693
  369    HG3  ARG  37           HG3      ARG  37 -13.908   4.298   0.780
  370    HD2  ARG  37           HD2      ARG  37 -16.605   5.160   1.263
  371    HD3  ARG  37           HD3      ARG  37 -16.555   4.015  -0.072
  372    HE   ARG  37           HE       ARG  37 -15.373   2.481   1.503
  373   HH11  ARG  37          HH11      ARG  37 -17.376   5.064   2.769
  374   HH12  ARG  37          HH12      ARG  37 -17.775   4.212   4.221
  375   HH21  ARG  37          HH21      ARG  37 -15.922   1.359   3.411
  376   HH22  ARG  37          HH22      ARG  37 -16.950   2.110   4.587
  377    H    THR  38           H        THR  38 -12.847   8.639   0.303
  378    HA   THR  38           HA       THR  38 -12.531   8.912  -2.618
  379    HB   THR  38           HB       THR  38 -11.050  10.933  -1.878
  380    HG1  THR  38           HG1      THR  38 -11.444  11.748   0.061
  381   HG21  THR  38          HG21      THR  38 -14.058  11.111  -1.856
  382   HG22  THR  38          HG22      THR  38 -13.025  11.151  -3.286
  383   HG23  THR  38          HG23      THR  38 -12.950  12.459  -2.108
  384    H    ILE  39           H        ILE  39 -11.005   7.623  -3.251
  385    HA   ILE  39           HA       ILE  39  -8.576   7.479  -1.611
  386    HB   ILE  39           HB       ILE  39  -8.422   5.076  -2.185
  387   HG12  ILE  39          HG12      ILE  39 -11.316   4.991  -2.736
  388   HG13  ILE  39          HG13      ILE  39 -10.310   5.602  -4.050
  389   HG21  ILE  39          HG21      ILE  39  -9.306   4.747  -0.181
  390   HG22  ILE  39          HG22      ILE  39 -10.931   4.978  -0.824
  391   HG23  ILE  39          HG23      ILE  39 -10.002   6.361  -0.267
  392   HD11  ILE  39          HD11      ILE  39  -8.906   3.430  -3.377
  393   HD12  ILE  39          HD12      ILE  39 -10.228   3.397  -4.541
  394   HD13  ILE  39          HD13      ILE  39 -10.511   2.909  -2.868
  395    H    SER  40           H        SER  40  -6.901   6.175  -2.891
  396    HA   SER  40           HA       SER  40  -6.992   6.532  -5.752
  397    HB2  SER  40           HB2      SER  40  -6.269   8.770  -4.810
  398    HB3  SER  40           HB3      SER  40  -4.824   7.943  -4.201
  399    HG   SER  40           HG       SER  40  -5.286   8.873  -6.648
  400    H    GLU  41           H        GLU  41  -4.892   5.790  -6.727
  401    HA   GLU  41           HA       GLU  41  -3.715   3.730  -5.032
  402    HB2  GLU  41           HB2      GLU  41  -5.377   3.097  -6.957
  403    HB3  GLU  41           HB3      GLU  41  -3.999   3.411  -7.995
  404    HG2  GLU  41           HG2      GLU  41  -3.076   1.735  -5.931
  405    HG3  GLU  41           HG3      GLU  41  -4.632   1.086  -6.450
  406    H    ALA  42           H        ALA  42  -1.548   3.473  -5.104
  407    HA   ALA  42           HA       ALA  42   0.073   4.962  -7.035
  408    HB1  ALA  42           HB1      ALA  42  -0.353   6.520  -5.178
  409    HB2  ALA  42           HB2      ALA  42   1.350   6.080  -5.307
  410    HB3  ALA  42           HB3      ALA  42   0.343   5.351  -4.054
  411    H    ILE  43           H        ILE  43   1.845   3.819  -7.570
  412    HA   ILE  43           HA       ILE  43   2.326   1.298  -6.235
  413    HB   ILE  43           HB       ILE  43   3.734   2.458  -8.645
  414   HG12  ILE  43          HG12      ILE  43   1.399   2.327  -9.180
  415   HG13  ILE  43          HG13      ILE  43   2.193   0.954  -9.944
  416   HG21  ILE  43          HG21      ILE  43   4.424   0.224  -9.142
  417   HG22  ILE  43          HG22      ILE  43   3.473  -0.423  -7.806
  418   HG23  ILE  43          HG23      ILE  43   4.884   0.581  -7.477
  419   HD11  ILE  43          HD11      ILE  43   1.441  -0.442  -8.013
  420   HD12  ILE  43          HD12      ILE  43   0.142   0.201  -9.020
  421   HD13  ILE  43          HD13      ILE  43   0.502   0.948  -7.464
  422    H    VAL  44           H        VAL  44   3.878   0.933  -4.824
  423    HA   VAL  44           HA       VAL  44   6.295   2.577  -4.621
  424    HB   VAL  44           HB       VAL  44   6.121   1.558  -2.017
  425   HG11  VAL  44          HG11      VAL  44   5.188   4.024  -3.364
  426   HG12  VAL  44          HG12      VAL  44   5.714   3.846  -1.683
  427   HG13  VAL  44          HG13      VAL  44   4.008   3.542  -2.134
  428   HG21  VAL  44          HG21      VAL  44   4.042   0.399  -2.841
  429   HG22  VAL  44          HG22      VAL  44   3.353   2.020  -3.073
  430   HG23  VAL  44          HG23      VAL  44   3.807   1.475  -1.451
  431    H    GLY  45           H        GLY  45   7.942   1.499  -3.471
  432    HA2  GLY  45           HA2      GLY  45   7.930  -1.130  -2.680
  433    HA3  GLY  45           HA3      GLY  45   8.420  -1.195  -4.365
  434    H    ASP  46           H        ASP  46  10.134  -2.185  -2.583
  435    HA   ASP  46           HA       ASP  46  12.254  -0.146  -2.472
  436    HB2  ASP  46           HB2      ASP  46  13.097  -1.261  -0.408
  437    HB3  ASP  46           HB3      ASP  46  11.512  -0.527  -0.198
  438    H    GLU  47           H        GLU  47  14.298  -1.810  -1.625
  439    HA   GLU  47           HA       GLU  47  14.958  -3.141  -4.058
  440    HB2  GLU  47           HB2      GLU  47  17.053  -3.788  -2.772
  441    HB3  GLU  47           HB3      GLU  47  16.758  -2.069  -2.977
  442    HG2  GLU  47           HG2      GLU  47  16.652  -1.726  -0.782
  443    HG3  GLU  47           HG3      GLU  47  15.578  -3.103  -0.538
  444    H    THR  48           H        THR  48  13.010  -4.132  -1.611
  445    HA   THR  48           HA       THR  48  13.899  -6.931  -1.751
  446    HB   THR  48           HB       THR  48  12.802  -7.336   0.257
  447    HG1  THR  48           HG1      THR  48  10.975  -5.694  -0.689
  448   HG21  THR  48          HG21      THR  48  14.730  -5.657   0.369
  449   HG22  THR  48          HG22      THR  48  13.681  -5.787   1.781
  450   HG23  THR  48          HG23      THR  48  13.483  -4.442   0.656
  451    H    GLY  49           H        GLY  49  11.871  -4.991  -3.448
  452    HA2  GLY  49           HA2      GLY  49  10.630  -6.648  -5.037
  453    HA3  GLY  49           HA3      GLY  49   9.677  -6.914  -3.588
  454    H    ARG  50           H        ARG  50   7.793  -6.145  -4.472
  455    HA   ARG  50           HA       ARG  50   7.484  -3.302  -4.472
  456    HB2  ARG  50           HB2      ARG  50   8.173  -3.649  -6.775
  457    HB3  ARG  50           HB3      ARG  50   6.983  -4.932  -6.965
  458    HG2  ARG  50           HG2      ARG  50   5.339  -3.004  -6.232
  459    HG3  ARG  50           HG3      ARG  50   6.626  -2.004  -6.901
  460    HD2  ARG  50           HD2      ARG  50   5.554  -4.353  -8.420
  461    HD3  ARG  50           HD3      ARG  50   4.702  -2.813  -8.436
  462    HE   ARG  50           HE       ARG  50   7.519  -2.764  -9.135
  463   HH11  ARG  50          HH11      ARG  50   4.209  -2.733 -10.216
  464   HH12  ARG  50          HH12      ARG  50   4.594  -2.136 -11.795
  465   HH21  ARG  50          HH21      ARG  50   8.039  -1.978 -11.210
  466   HH22  ARG  50          HH22      ARG  50   6.774  -1.707 -12.361
  467    H    VAL  51           H        VAL  51   5.430  -2.724  -4.086
  468    HA   VAL  51           HA       VAL  51   3.278  -4.650  -4.129
  469    HB   VAL  51           HB       VAL  51   4.175  -5.062  -1.939
  470   HG11  VAL  51          HG11      VAL  51   3.997  -2.085  -1.472
  471   HG12  VAL  51          HG12      VAL  51   5.481  -3.023  -1.647
  472   HG13  VAL  51          HG13      VAL  51   4.427  -3.291  -0.259
  473   HG21  VAL  51          HG21      VAL  51   1.759  -3.292  -1.818
  474   HG22  VAL  51          HG22      VAL  51   2.269  -4.396  -0.539
  475   HG23  VAL  51          HG23      VAL  51   1.777  -5.028  -2.111
  476    H    LYS  52           H        LYS  52   1.395  -3.714  -4.683
  477    HA   LYS  52           HA       LYS  52   1.238  -0.980  -5.345
  478    HB2  LYS  52           HB2      LYS  52  -1.201  -2.678  -4.919
  479    HB3  LYS  52           HB3      LYS  52  -0.928  -1.428  -6.125
  480    HG2  LYS  52           HG2      LYS  52   1.012  -3.447  -6.560
  481    HG3  LYS  52           HG3      LYS  52  -0.540  -4.250  -6.341
  482    HD2  LYS  52           HD2      LYS  52  -1.518  -3.041  -8.134
  483    HD3  LYS  52           HD3      LYS  52  -0.153  -1.927  -8.217
  484    HE2  LYS  52           HE2      LYS  52  -0.009  -3.500 -10.044
  485    HE3  LYS  52           HE3      LYS  52   1.301  -3.815  -8.904
  486    HZ1  LYS  52           HZ1      LYS  52   0.014  -5.647  -7.988
  487    HZ2  LYS  52           HZ2      LYS  52   0.245  -5.862  -9.650
  488    HZ3  LYS  52           HZ3      LYS  52  -1.252  -5.336  -9.066
  489    H    LEU  53           H        LEU  53   0.664   0.768  -4.184
  490    HA   LEU  53           HA       LEU  53  -0.285   0.381  -1.437
  491    HB2  LEU  53           HB2      LEU  53   1.818   1.726  -2.058
  492    HB3  LEU  53           HB3      LEU  53   0.714   2.960  -2.616
  493    HG   LEU  53           HG       LEU  53   1.719   3.224  -0.283
  494   HD11  LEU  53          HD11      LEU  53  -0.119   4.599  -1.030
  495   HD12  LEU  53          HD12      LEU  53  -0.351   4.139   0.657
  496   HD13  LEU  53          HD13      LEU  53  -1.274   3.331  -0.611
  497   HD21  LEU  53          HD21      LEU  53   0.631   2.071   1.533
  498   HD22  LEU  53          HD22      LEU  53   1.380   0.906   0.442
  499   HD23  LEU  53          HD23      LEU  53  -0.366   1.162   0.399
  500    H    THR  54           H        THR  54  -2.101   1.258  -0.704
  501    HA   THR  54           HA       THR  54  -3.847   2.709  -2.544
  502    HB   THR  54           HB       THR  54  -5.077   0.884  -0.510
  503    HG1  THR  54           HG1      THR  54  -3.943   0.163  -3.019
  504   HG21  THR  54          HG21      THR  54  -6.069   1.476  -3.258
  505   HG22  THR  54          HG22      THR  54  -6.118   2.748  -2.045
  506   HG23  THR  54          HG23      THR  54  -6.978   1.237  -1.766
  507    H    LEU  55           H        LEU  55  -4.202   4.608  -1.762
  508    HA   LEU  55           HA       LEU  55  -3.959   5.206   1.051
  509    HB2  LEU  55           HB2      LEU  55  -4.721   7.140  -1.068
  510    HB3  LEU  55           HB3      LEU  55  -3.766   7.409   0.363
  511    HG   LEU  55           HG       LEU  55  -2.418   5.514  -1.303
  512   HD11  LEU  55          HD11      LEU  55  -1.957   7.505  -3.013
  513   HD12  LEU  55          HD12      LEU  55  -3.649   7.793  -2.635
  514   HD13  LEU  55          HD13      LEU  55  -3.158   6.242  -3.289
  515   HD21  LEU  55          HD21      LEU  55  -1.411   6.963   0.425
  516   HD22  LEU  55          HD22      LEU  55  -1.701   8.352  -0.627
  517   HD23  LEU  55          HD23      LEU  55  -0.607   7.070  -1.142
  518    H    TRP  56           H        TRP  56  -5.665   6.261   2.255
  519    HA   TRP  56           HA       TRP  56  -8.323   5.928   1.056
  520    HB2  TRP  56           HB2      TRP  56  -7.307   4.813   3.634
  521    HB3  TRP  56           HB3      TRP  56  -9.020   5.127   3.440
  522    HD1  TRP  56           HD1      TRP  56  -6.230   2.794   2.287
  523    HE1  TRP  56           HE1      TRP  56  -7.195   0.900   0.871
  524    HE3  TRP  56           HE3      TRP  56 -11.110   4.421   1.913
  525    HZ2  TRP  56           HZ2      TRP  56  -9.704   0.157  -0.218
  526    HZ3  TRP  56           HZ3      TRP  56 -12.696   3.033   0.659
  527    HH2  TRP  56           HH2      TRP  56 -12.012   0.954  -0.382
  528    H    GLY  57           H        GLY  57  -9.469   7.615   1.050
  529    HA2  GLY  57           HA2      GLY  57 -10.607   9.477   1.665
  530    HA3  GLY  57           HA3      GLY  57  -9.976   9.314   3.274
  531    H    LYS  58           H        LYS  58  -8.124  10.571   3.857
  532    HA   LYS  58           HA       LYS  58  -7.651  12.815   2.078
  533    HB2  LYS  58           HB2      LYS  58  -6.095  13.473   4.116
  534    HB3  LYS  58           HB3      LYS  58  -7.835  13.698   4.170
  535    HG2  LYS  58           HG2      LYS  58  -7.245  12.758   6.236
  536    HG3  LYS  58           HG3      LYS  58  -7.952  11.436   5.307
  537    HD2  LYS  58           HD2      LYS  58  -5.361  11.176   4.613
  538    HD3  LYS  58           HD3      LYS  58  -5.180  11.839   6.238
  539    HE2  LYS  58           HE2      LYS  58  -7.015   9.535   5.689
  540    HE3  LYS  58           HE3      LYS  58  -5.287   9.289   5.940
  541    HZ1  LYS  58           HZ1      LYS  58  -6.486   9.030   8.007
  542    HZ2  LYS  58           HZ2      LYS  58  -7.175  10.567   7.852
  543    HZ3  LYS  58           HZ3      LYS  58  -5.509  10.408   8.095
  544    H    HIS  59           H        HIS  59  -5.983   9.926   2.955
  545    HA   HIS  59           HA       HIS  59  -3.363  10.749   2.231
  546    HB2  HIS  59           HB2      HIS  59  -4.720   8.105   2.669
  547    HB3  HIS  59           HB3      HIS  59  -3.118   8.165   1.946
  548    HD2  HIS  59           HD2      HIS  59  -4.370   7.485   5.304
  549    HE1  HIS  59           HE1      HIS  59  -0.906   9.853   5.975
  550    HE2  HIS  59           HE2      HIS  59  -2.601   8.287   6.983
  551    H    ALA  60           H        ALA  60  -6.181   9.828   0.515
  552    HA   ALA  60           HA       ALA  60  -5.159   8.756  -1.833
  553    HB1  ALA  60           HB1      ALA  60  -7.266   8.925  -2.657
  554    HB2  ALA  60           HB2      ALA  60  -7.489  10.568  -2.038
  555    HB3  ALA  60           HB3      ALA  60  -7.621   9.187  -0.942
  556    H    GLY  61           H        GLY  61  -3.937   9.553  -3.408
  557    HA2  GLY  61           HA2      GLY  61  -2.806  11.031  -4.723
  558    HA3  GLY  61           HA3      GLY  61  -4.218  12.022  -4.601
  559    H    SER  62           H        SER  62  -3.006  11.489  -1.532
  560    HA   SER  62           HA       SER  62  -2.066  14.223  -1.383
  561    HB2  SER  62           HB2      SER  62  -3.423  13.578   0.446
  562    HB3  SER  62           HB3      SER  62  -2.530  12.059   0.670
  563    HG   SER  62           HG       SER  62  -1.007  13.100   1.732
  564    H    ILE  63           H        ILE  63  -0.674  11.126  -1.777
  565    HA   ILE  63           HA       ILE  63   1.856  11.715  -0.575
  566    HB   ILE  63           HB       ILE  63   2.635   9.673  -1.914
  567   HG12  ILE  63          HG12      ILE  63   0.055   8.538  -2.264
  568   HG13  ILE  63          HG13      ILE  63   0.045  10.094  -3.082
  569   HG21  ILE  63          HG21      ILE  63   1.579   8.152  -0.353
  570   HG22  ILE  63          HG22      ILE  63   0.289   9.308  -0.026
  571   HG23  ILE  63          HG23      ILE  63   1.942   9.666   0.474
  572   HD11  ILE  63          HD11      ILE  63   0.710   8.396  -4.630
  573   HD12  ILE  63          HD12      ILE  63   1.972   7.833  -3.534
  574   HD13  ILE  63          HD13      ILE  63   2.100   9.426  -4.280
  575    H    LYS  64           H        LYS  64   3.891  11.385  -1.965
  576    HA   LYS  64           HA       LYS  64   3.728  13.297  -4.180
  577    HB2  LYS  64           HB2      LYS  64   5.691  12.736  -2.061
  578    HB3  LYS  64           HB3      LYS  64   6.386  13.013  -3.652
  579    HG2  LYS  64           HG2      LYS  64   5.049  15.135  -3.758
  580    HG3  LYS  64           HG3      LYS  64   4.646  14.873  -2.060
  581    HD2  LYS  64           HD2      LYS  64   7.281  14.606  -1.871
  582    HD3  LYS  64           HD3      LYS  64   7.235  15.624  -3.311
  583    HE2  LYS  64           HE2      LYS  64   6.090  17.352  -2.161
  584    HE3  LYS  64           HE3      LYS  64   5.754  16.307  -0.783
  585    HZ1  LYS  64           HZ1      LYS  64   7.553  17.847  -0.312
  586    HZ2  LYS  64           HZ2      LYS  64   8.446  17.245  -1.617
  587    HZ3  LYS  64           HZ3      LYS  64   8.116  16.252  -0.289
  588    H    GLU  65           H        GLU  65   5.904  12.862  -5.578
  589    HA   GLU  65           HA       GLU  65   5.468  10.312  -6.874
  590    HB2  GLU  65           HB2      GLU  65   6.374  12.942  -7.662
  591    HB3  GLU  65           HB3      GLU  65   7.553  11.729  -8.136
  592    HG2  GLU  65           HG2      GLU  65   6.045  10.622  -9.530
  593    HG3  GLU  65           HG3      GLU  65   4.668  11.377  -8.718
  594    H    GLY  66           H        GLY  66   7.890   9.647  -7.900
  595    HA2  GLY  66           HA2      GLY  66   9.027   8.007  -6.077
  596    HA3  GLY  66           HA3      GLY  66   9.940   8.717  -7.387
  597    H    GLN  67           H        GLN  67   9.036   8.998  -4.031
  598    HA   GLN  67           HA       GLN  67  11.501  10.446  -3.416
  599    HB2  GLN  67           HB2      GLN  67  10.313  11.932  -1.886
  600    HB3  GLN  67           HB3      GLN  67   9.683  12.139  -3.514
  601    HG2  GLN  67           HG2      GLN  67   7.676  11.938  -2.610
  602    HG3  GLN  67           HG3      GLN  67   8.033  10.217  -2.494
  603   HE21  GLN  67          HE21      GLN  67   8.810   9.394  -0.515
  604   HE22  GLN  67          HE22      GLN  67   8.485  10.208   0.974
  605    H    VAL  68           H        VAL  68  12.003  10.209  -0.991
  606    HA   VAL  68           HA       VAL  68  11.531   7.486  -0.288
  607    HB   VAL  68           HB       VAL  68  12.986   9.484   1.414
  608   HG11  VAL  68          HG11      VAL  68  12.869   6.575   1.056
  609   HG12  VAL  68          HG12      VAL  68  12.780   7.506   2.548
  610   HG13  VAL  68          HG13      VAL  68  14.333   7.280   1.739
  611   HG21  VAL  68          HG21      VAL  68  15.018   8.902   0.240
  612   HG22  VAL  68          HG22      VAL  68  13.845   9.688  -0.833
  613   HG23  VAL  68          HG23      VAL  68  14.042   7.906  -0.867
  614    H    VAL  69           H        VAL  69   9.778   6.913   0.773
  615    HA   VAL  69           HA       VAL  69   8.663   8.762   2.779
  616    HB   VAL  69           HB       VAL  69   6.658   6.907   2.170
  617   HG11  VAL  69          HG11      VAL  69   5.401   8.813   1.461
  618   HG12  VAL  69          HG12      VAL  69   6.874   9.737   1.167
  619   HG13  VAL  69          HG13      VAL  69   6.429   9.289   2.814
  620   HG21  VAL  69          HG21      VAL  69   8.345   7.226  -0.109
  621   HG22  VAL  69          HG22      VAL  69   6.785   7.980  -0.437
  622   HG23  VAL  69          HG23      VAL  69   6.862   6.286   0.049
  623    H    LYS  70           H        LYS  70   7.136   7.390   4.305
  624    HA   LYS  70           HA       LYS  70   8.399   4.849   4.994
  625    HB2  LYS  70           HB2      LYS  70   9.455   6.766   6.297
  626    HB3  LYS  70           HB3      LYS  70   7.896   6.966   7.085
  627    HG2  LYS  70           HG2      LYS  70   8.450   4.259   7.334
  628    HG3  LYS  70           HG3      LYS  70  10.000   5.059   7.608
  629    HD2  LYS  70           HD2      LYS  70   8.797   6.577   9.224
  630    HD3  LYS  70           HD3      LYS  70   7.404   5.505   9.069
  631    HE2  LYS  70           HE2      LYS  70   8.799   3.622   9.823
  632    HE3  LYS  70           HE3      LYS  70  10.157   4.729  10.026
  633    HZ1  LYS  70           HZ1      LYS  70   9.036   4.314  12.122
  634    HZ2  LYS  70           HZ2      LYS  70   7.573   4.876  11.485
  635    HZ3  LYS  70           HZ3      LYS  70   8.873   5.939  11.679
  636    H    ILE  71           H        ILE  71   6.726   3.508   4.819
  637    HA   ILE  71           HA       ILE  71   4.038   4.322   5.408
  638    HB   ILE  71           HB       ILE  71   5.106   1.552   4.864
  639   HG12  ILE  71          HG12      ILE  71   5.444   3.384   3.092
  640   HG13  ILE  71          HG13      ILE  71   4.656   1.887   2.583
  641   HG21  ILE  71          HG21      ILE  71   2.329   2.680   5.028
  642   HG22  ILE  71          HG22      ILE  71   3.006   1.291   5.881
  643   HG23  ILE  71          HG23      ILE  71   2.683   1.192   4.149
  644   HD11  ILE  71          HD11      ILE  71   3.648   4.008   1.704
  645   HD12  ILE  71          HD12      ILE  71   3.188   4.406   3.360
  646   HD13  ILE  71          HD13      ILE  71   2.517   2.974   2.578
  647    H    GLU  72           H        GLU  72   2.727   3.677   7.170
  648    HA   GLU  72           HA       GLU  72   4.202   2.553   9.390
  649    HB2  GLU  72           HB2      GLU  72   3.121   5.022   9.286
  650    HB3  GLU  72           HB3      GLU  72   1.781   4.157   9.944
  651    HG2  GLU  72           HG2      GLU  72   4.256   3.474  11.256
  652    HG3  GLU  72           HG3      GLU  72   3.948   5.209  11.315
  653    H    ASN  73           H        ASN  73   2.407   1.975  11.018
  654    HA   ASN  73           HA       ASN  73   1.311  -0.460  10.393
  655    HB2  ASN  73           HB2      ASN  73   1.481   1.106  12.601
  656    HB3  ASN  73           HB3      ASN  73  -0.210   1.168  12.216
  657   HD21  ASN  73          HD21      ASN  73  -1.427  -0.457  13.060
  658   HD22  ASN  73          HD22      ASN  73  -0.850  -1.963  13.641
  659    H    ALA  74           H        ALA  74   0.144  -0.652   8.563
  660    HA   ALA  74           HA       ALA  74  -2.500   0.653   8.569
  661    HB1  ALA  74           HB1      ALA  74  -1.269   1.535   6.728
  662    HB2  ALA  74           HB2      ALA  74  -2.418   0.366   6.077
  663    HB3  ALA  74           HB3      ALA  74  -0.717  -0.069   6.253
  664    H    TRP  75           H        TRP  75  -1.827  -1.674   6.141
  665    HA   TRP  75           HA       TRP  75  -2.247  -4.104   7.460
  666    HB2  TRP  75           HB2      TRP  75  -4.641  -4.474   6.822
  667    HB3  TRP  75           HB3      TRP  75  -4.402  -3.323   8.132
  668    HD1  TRP  75           HD1      TRP  75  -5.295  -3.379   4.377
  669    HE1  TRP  75           HE1      TRP  75  -6.607  -1.272   3.855
  670    HE3  TRP  75           HE3      TRP  75  -4.827  -0.971   8.834
  671    HZ2  TRP  75           HZ2      TRP  75  -7.294   1.093   5.099
  672    HZ3  TRP  75           HZ3      TRP  75  -5.850   1.260   9.072
  673    HH2  TRP  75           HH2      TRP  75  -7.101   2.262   7.202
  674    H    THR  76           H        THR  76  -3.165  -5.757   5.936
  675    HA   THR  76           HA       THR  76  -2.457  -5.072   3.178
  676    HB   THR  76           HB       THR  76  -1.603  -7.507   3.058
  677    HG1  THR  76           HG1      THR  76  -0.556  -7.866   5.296
  678   HG21  THR  76          HG21      THR  76   0.653  -6.759   3.935
  679   HG22  THR  76          HG22      THR  76  -0.131  -5.247   4.390
  680   HG23  THR  76          HG23      THR  76  -0.083  -5.744   2.696
  681    H    THR  77           H        THR  77  -3.838  -5.716   1.727
  682    HA   THR  77           HA       THR  77  -5.882  -7.691   2.481
  683    HB   THR  77           HB       THR  77  -7.543  -6.419   1.244
  684    HG1  THR  77           HG1      THR  77  -6.720  -5.260  -0.339
  685   HG21  THR  77          HG21      THR  77  -7.182  -5.754   3.588
  686   HG22  THR  77          HG22      THR  77  -7.650  -4.368   2.605
  687   HG23  THR  77          HG23      THR  77  -5.965  -4.587   3.072
  688    H    ALA  78           H        ALA  78  -6.089  -9.355   1.070
  689    HA   ALA  78           HA       ALA  78  -4.277  -9.360  -1.210
  690    HB1  ALA  78           HB1      ALA  78  -4.188 -11.211   0.370
  691    HB2  ALA  78           HB2      ALA  78  -4.624 -11.766  -1.247
  692    HB3  ALA  78           HB3      ALA  78  -5.863 -11.616   0.000
  693    H    PHE  79           H        PHE  79  -5.100  -8.495  -3.020
  694    HA   PHE  79           HA       PHE  79  -7.811  -9.138  -3.812
  695    HB2  PHE  79           HB2      PHE  79  -6.619  -6.762  -3.851
  696    HB3  PHE  79           HB3      PHE  79  -6.065  -7.354  -5.437
  697    HD1  PHE  79           HD1      PHE  79  -9.039  -6.781  -3.369
  698    HD2  PHE  79           HD2      PHE  79  -7.503  -7.409  -7.266
  699    HE1  PHE  79           HE1      PHE  79 -11.234  -6.322  -4.294
  700    HE2  PHE  79           HE2      PHE  79  -9.712  -6.926  -8.209
  701    HZ   PHE  79           HZ       PHE  79 -11.599  -6.378  -6.725
  702    H    LYS  80           H        LYS  80  -8.220 -10.628  -5.269
  703    HA   LYS  80           HA       LYS  80  -8.017 -12.199  -6.872
  704    HB2  LYS  80           HB2      LYS  80  -5.901 -10.359  -7.994
  705    HB3  LYS  80           HB3      LYS  80  -6.715 -11.653  -8.870
  706    HG2  LYS  80           HG2      LYS  80  -8.113  -9.289  -7.662
  707    HG3  LYS  80           HG3      LYS  80  -7.573  -9.363  -9.337
  708    HD2  LYS  80           HD2      LYS  80  -9.039 -11.258  -9.744
  709    HD3  LYS  80           HD3      LYS  80  -9.521 -11.273  -8.044
  710    HE2  LYS  80           HE2      LYS  80 -10.370  -8.942  -8.354
  711    HE3  LYS  80           HE3      LYS  80 -10.057  -9.117 -10.079
  712    HZ1  LYS  80           HZ1      LYS  80 -12.352  -9.594  -9.591
  713    HZ2  LYS  80           HZ2      LYS  80 -11.913 -10.772  -8.460
  714    HZ3  LYS  80           HZ3      LYS  80 -11.581 -11.012 -10.100
  715    H    GLY  81           H        GLY  81  -6.016 -12.171  -4.472
  716    HA2  GLY  81           HA2      GLY  81  -4.871 -14.194  -3.867
  717    HA3  GLY  81           HA3      GLY  81  -4.451 -14.421  -5.555
  718    H    GLN  82           H        GLN  82  -3.888 -11.283  -5.245
  719    HA   GLN  82           HA       GLN  82  -1.095 -11.721  -4.437
  720    HB2  GLN  82           HB2      GLN  82  -1.404  -9.123  -5.524
  721    HB3  GLN  82           HB3      GLN  82  -0.517 -10.479  -6.200
  722    HG2  GLN  82           HG2      GLN  82  -2.008 -10.757  -7.818
  723    HG3  GLN  82           HG3      GLN  82  -3.362 -10.690  -6.693
  724   HE21  GLN  82          HE21      GLN  82  -2.847  -8.098  -5.664
  725   HE22  GLN  82          HE22      GLN  82  -3.202  -6.956  -6.909
  726    H    VAL  83           H        VAL  83  -0.158 -10.465  -2.839
  727    HA   VAL  83           HA       VAL  83  -1.996  -9.340  -0.958
  728    HB   VAL  83           HB       VAL  83   0.999  -8.993  -0.829
  729   HG11  VAL  83          HG11      VAL  83   0.176  -9.499   1.679
  730   HG12  VAL  83          HG12      VAL  83  -1.263  -8.720   1.021
  731   HG13  VAL  83          HG13      VAL  83   0.287  -7.883   0.985
  732   HG21  VAL  83          HG21      VAL  83   0.566 -11.348  -1.321
  733   HG22  VAL  83          HG22      VAL  83  -0.556 -11.425   0.036
  734   HG23  VAL  83          HG23      VAL  83   1.159 -11.133   0.326
  735    H    GLN  84           H        GLN  84  -2.043  -7.145  -0.216
  736    HA   GLN  84           HA       GLN  84  -0.762  -5.158  -1.928
  737    HB2  GLN  84           HB2      GLN  84  -3.321  -5.919  -2.502
  738    HB3  GLN  84           HB3      GLN  84  -3.599  -4.567  -1.413
  739    HG2  GLN  84           HG2      GLN  84  -2.373  -3.087  -2.827
  740    HG3  GLN  84           HG3      GLN  84  -1.826  -4.425  -3.836
  741   HE21  GLN  84          HE21      GLN  84  -4.439  -2.304  -3.045
  742   HE22  GLN  84          HE22      GLN  84  -5.476  -2.744  -4.385
  743    H    LEU  85           H        LEU  85  -0.915  -2.981  -1.033
  744    HA   LEU  85           HA       LEU  85  -1.235  -3.038   1.896
  745    HB2  LEU  85           HB2      LEU  85   1.069  -2.704   0.483
  746    HB3  LEU  85           HB3      LEU  85   0.588  -1.043   0.762
  747    HG   LEU  85           HG       LEU  85   0.330  -2.462   3.218
  748   HD11  LEU  85          HD11      LEU  85   2.682  -3.097   3.561
  749   HD12  LEU  85          HD12      LEU  85   2.996  -2.804   1.850
  750   HD13  LEU  85          HD13      LEU  85   1.893  -4.092   2.336
  751   HD21  LEU  85          HD21      LEU  85   2.060  -0.801   3.895
  752   HD22  LEU  85          HD22      LEU  85   0.655  -0.107   3.081
  753   HD23  LEU  85          HD23      LEU  85   2.174  -0.313   2.202
  754    H    ASN  86           H        ASN  86  -2.039  -1.159   2.926
  755    HA   ASN  86           HA       ASN  86  -3.149   0.927   1.138
  756    HB2  ASN  86           HB2      ASN  86  -4.650  -0.284   3.468
  757    HB3  ASN  86           HB3      ASN  86  -5.226   0.978   2.435
  758   HD21  ASN  86          HD21      ASN  86  -3.847  -2.188   2.175
  759   HD22  ASN  86          HD22      ASN  86  -4.930  -2.775   0.987
  760    H    ALA  87           H        ALA  87  -3.946   2.837   2.454
  761    HA   ALA  87           HA       ALA  87  -2.590   2.973   5.047
  762    HB1  ALA  87           HB1      ALA  87  -2.336   5.143   2.974
  763    HB2  ALA  87           HB2      ALA  87  -1.101   3.928   3.303
  764    HB3  ALA  87           HB3      ALA  87  -1.558   5.081   4.555
  765    H    GLY  88           H        GLY  88  -4.073   3.498   6.513
  766    HA2  GLY  88           HA2      GLY  88  -6.168   5.405   5.758
  767    HA3  GLY  88           HA3      GLY  88  -6.405   4.108   6.837
  768    H    SER  89           H        SER  89  -6.730   4.776   8.827
  769    HA   SER  89           HA       SER  89  -5.760   7.331   9.657
  770    HB2  SER  89           HB2      SER  89  -7.364   5.237  11.134
  771    HB3  SER  89           HB3      SER  89  -6.987   6.831  11.785
  772    HG   SER  89           HG       SER  89  -9.069   6.380  10.511
  773    H    LYS  90           H        LYS  90  -5.209   4.019  11.124
  774    HA   LYS  90           HA       LYS  90  -3.336   5.100  12.994
  775    HB2  LYS  90           HB2      LYS  90  -2.811   2.905  13.716
  776    HB3  LYS  90           HB3      LYS  90  -4.516   2.879  13.372
  777    HG2  LYS  90           HG2      LYS  90  -2.902   2.078  11.105
  778    HG3  LYS  90           HG3      LYS  90  -2.673   1.072  12.531
  779    HD2  LYS  90           HD2      LYS  90  -5.428   1.483  12.359
  780    HD3  LYS  90           HD3      LYS  90  -4.890   1.174  10.707
  781    HE2  LYS  90           HE2      LYS  90  -4.590  -0.971  11.130
  782    HE3  LYS  90           HE3      LYS  90  -3.587  -0.609  12.534
  783    HZ1  LYS  90           HZ1      LYS  90  -5.689  -0.259  13.800
  784    HZ2  LYS  90           HZ2      LYS  90  -5.453  -1.854  13.284
  785    HZ3  LYS  90           HZ3      LYS  90  -6.545  -0.853  12.465
  786    H    THR  91           H        THR  91  -3.127   4.759   9.784
  787    HA   THR  91           HA       THR  91  -0.273   4.142   9.665
  788    HB   THR  91           HB       THR  91  -1.968   4.997   7.317
  789    HG1  THR  91           HG1      THR  91  -2.055   2.502   8.664
  790   HG21  THR  91          HG21      THR  91   0.275   2.998   7.626
  791   HG22  THR  91          HG22      THR  91   0.405   4.614   6.932
  792   HG23  THR  91          HG23      THR  91  -0.555   3.380   6.118
  793    H    LYS  92           H        LYS  92   1.201   5.803   9.598
  794    HA   LYS  92           HA       LYS  92   0.256   8.498   8.852
  795    HB2  LYS  92           HB2      LYS  92   1.699   7.591  11.219
  796    HB3  LYS  92           HB3      LYS  92   2.581   8.845  10.363
  797    HG2  LYS  92           HG2      LYS  92   1.283   9.979  11.944
  798    HG3  LYS  92           HG3      LYS  92   0.423  10.190  10.418
  799    HD2  LYS  92           HD2      LYS  92  -1.093   8.361  11.027
  800    HD3  LYS  92           HD3      LYS  92  -0.230   8.154  12.551
  801    HE2  LYS  92           HE2      LYS  92  -0.819  10.507  13.127
  802    HE3  LYS  92           HE3      LYS  92  -1.801  10.570  11.664
  803    HZ1  LYS  92           HZ1      LYS  92  -3.139  10.059  13.610
  804    HZ2  LYS  92           HZ2      LYS  92  -2.200   8.690  13.929
  805    HZ3  LYS  92           HZ3      LYS  92  -3.145   8.758  12.527
  806    H    ILE  93           H        ILE  93   1.063   8.975   6.858
  807    HA   ILE  93           HA       ILE  93   3.615   7.744   6.105
  808    HB   ILE  93           HB       ILE  93   1.940   9.400   4.246
  809   HG12  ILE  93          HG12      ILE  93   1.547   6.445   4.797
  810   HG13  ILE  93          HG13      ILE  93   0.451   7.718   5.317
  811   HG21  ILE  93          HG21      ILE  93   4.183   8.758   3.534
  812   HG22  ILE  93          HG22      ILE  93   2.950   7.954   2.554
  813   HG23  ILE  93          HG23      ILE  93   3.792   7.058   3.818
  814   HD11  ILE  93          HD11      ILE  93   1.068   6.886   2.499
  815   HD12  ILE  93          HD12      ILE  93   0.134   8.320   2.926
  816   HD13  ILE  93          HD13      ILE  93  -0.455   6.720   3.373
  817    H    ALA  94           H        ALA  94   5.416   8.881   5.545
  818    HA   ALA  94           HA       ALA  94   5.467  11.765   5.187
  819    HB1  ALA  94           HB1      ALA  94   6.856  12.245   7.081
  820    HB2  ALA  94           HB2      ALA  94   6.560  10.622   7.768
  821    HB3  ALA  94           HB3      ALA  94   5.225  11.779   7.617
  822    H    GLU  95           H        GLU  95   7.429  12.590   4.470
  823    HA   GLU  95           HA       GLU  95   9.078  10.811   3.052
  824    HB2  GLU  95           HB2      GLU  95   9.915  13.628   3.727
  825    HB3  GLU  95           HB3      GLU  95  10.094  12.615   2.468
  826    HG2  GLU  95           HG2      GLU  95   8.676  13.701   1.423
  827    HG3  GLU  95           HG3      GLU  95   7.541  12.737   2.203
  828    H    ALA  96           H        ALA  96  10.929   9.928   3.484
  829    HA   ALA  96           HA       ALA  96  12.180  10.438   6.121
  830    HB1  ALA  96           HB1      ALA  96  12.532   8.156   6.542
  831    HB2  ALA  96           HB2      ALA  96  12.172   7.714   4.866
  832    HB3  ALA  96           HB3      ALA  96  10.871   8.245   5.944
  833    H    SER  97           H        SER  97  14.370  10.622   6.151
  834    HA   SER  97           HA       SER  97  15.741  10.372   3.558
  835    HB2  SER  97           HB2      SER  97  17.415  11.960   4.601
  836    HB3  SER  97           HB3      SER  97  15.847  12.615   4.245
  837    HG   SER  97           HG       SER  97  16.094  11.509   6.759
  838    H    GLU  98           H        GLU  98  17.249   8.857   3.352
  839    HA   GLU  98           HA       GLU  98  18.576   7.848   5.778
  840    HB2  GLU  98           HB2      GLU  98  17.491   6.216   3.475
  841    HB3  GLU  98           HB3      GLU  98  18.503   5.559   4.729
  842    HG2  GLU  98           HG2      GLU  98  16.157   6.953   5.703
  843    HG3  GLU  98           HG3      GLU  98  15.867   5.464   4.804
  844    H    ASP  99           H        ASP  99  20.188   5.944   4.267
  845    HA   ASP  99           HA       ASP  99  22.206   7.689   3.353
  846    HB2  ASP  99           HB2      ASP  99  21.959   4.717   3.707
  847    HB3  ASP  99           HB3      ASP  99  23.333   5.398   2.840
  848    H    GLY 100           H        GLY 100  19.574   7.318   1.818
  849    HA2  GLY 100           HA2      GLY 100  19.366   7.775  -0.502
  850    HA3  GLY 100           HA3      GLY 100  20.889   6.954  -0.806
  851    H    PHE 101           H        PHE 101  17.475   6.487  -0.093
  852    HA   PHE 101           HA       PHE 101  17.404   3.688  -0.240
  853    HB2  PHE 101           HB2      PHE 101  15.549   5.745   0.127
  854    HB3  PHE 101           HB3      PHE 101  15.014   4.922  -1.334
  855    HD1  PHE 101           HD2      PHE 101  16.171   4.138   2.129
  856    HD2  PHE 101           HD1      PHE 101  13.615   3.115  -1.115
  857    HE1  PHE 101           HE2      PHE 101  15.158   2.369   3.493
  858    HE2  PHE 101           HE1      PHE 101  12.577   1.376   0.207
  859    HZ   PHE 101           HZ       PHE 101  13.362   0.972   2.558
  860    HA   PRO 102           HA       PRO 102  18.166   2.592  -4.451
  861    HB2  PRO 102           HB2      PRO 102  15.701   0.928  -4.210
  862    HB3  PRO 102           HB3      PRO 102  17.322   0.469  -4.756
  863    HG2  PRO 102           HG2      PRO 102  16.488  -0.236  -2.343
  864    HG3  PRO 102           HG3      PRO 102  18.161   0.298  -2.605
  865    HD2  PRO 102           HD2      PRO 102  15.880   1.761  -1.359
  866    HD3  PRO 102           HD3      PRO 102  17.617   1.802  -0.958
  867    H    GLU 103           H        GLU 103  17.543   3.236  -6.463
  868    HA   GLU 103           HA       GLU 103  15.401   5.119  -6.662
  869    HB2  GLU 103           HB2      GLU 103  17.712   4.936  -7.954
  870    HB3  GLU 103           HB3      GLU 103  16.734   4.022  -9.094
  871    HG2  GLU 103           HG2      GLU 103  15.318   5.870  -9.505
  872    HG3  GLU 103           HG3      GLU 103  15.985   6.771  -8.144
  873    H    SER 104           H        SER 104  13.709   5.010  -8.322
  874    HA   SER 104           HA       SER 104  12.161   2.667  -8.073
  875    HB2  SER 104           HB2      SER 104  11.739   4.738 -10.222
  876    HB3  SER 104           HB3      SER 104  10.529   3.774  -9.374
  877    HG   SER 104           HG       SER 104  12.126   5.841  -8.259
  878    H    SER 105           H        SER 105  14.504   3.694 -10.419
  879    HA   SER 105           HA       SER 105  13.706   1.761 -12.409
  880    HB2  SER 105           HB2      SER 105  15.352   4.077 -12.350
  881    HB3  SER 105           HB3      SER 105  16.358   2.724 -12.869
  882    HG   SER 105           HG       SER 105  15.188   2.510 -14.644
  883    H    GLN 106           H        GLN 106  15.291   1.540  -9.519
  884    HA   GLN 106           HA       GLN 106  16.759  -0.860 -10.396
  885    HB2  GLN 106           HB2      GLN 106  17.546   0.920  -8.097
  886    HB3  GLN 106           HB3      GLN 106  18.450  -0.411  -8.737
  887    HG2  GLN 106           HG2      GLN 106  18.495   0.965 -10.929
  888    HG3  GLN 106           HG3      GLN 106  17.990   2.303  -9.900
  889   HE21  GLN 106          HE21      GLN 106  20.274  -0.364  -9.412
  890   HE22  GLN 106          HE22      GLN 106  21.634   0.637  -9.049
  891    H    ILE 107           H        ILE 107  14.053  -0.040  -9.012
  892    HA   ILE 107           HA       ILE 107  14.250  -1.703  -6.621
  893    HB   ILE 107           HB       ILE 107  12.264   0.284  -7.627
  894   HG12  ILE 107          HG12      ILE 107  13.130  -0.211  -4.792
  895   HG13  ILE 107          HG13      ILE 107  14.180   0.642  -5.918
  896   HG21  ILE 107          HG21      ILE 107  10.566  -0.447  -6.054
  897   HG22  ILE 107          HG22      ILE 107  11.571  -1.823  -5.570
  898   HG23  ILE 107          HG23      ILE 107  10.916  -1.730  -7.212
  899   HD11  ILE 107          HD11      ILE 107  11.488   1.688  -5.918
  900   HD12  ILE 107          HD12      ILE 107  13.044   2.504  -5.730
  901   HD13  ILE 107          HD13      ILE 107  12.255   1.751  -4.323
  902    HA   PRO 108           HA       PRO 108  12.913  -5.314  -8.933
  903    HB2  PRO 108           HB2      PRO 108  12.092  -6.153  -6.193
  904    HB3  PRO 108           HB3      PRO 108  13.057  -7.022  -7.394
  905    HG2  PRO 108           HG2      PRO 108  14.238  -5.921  -5.297
  906    HG3  PRO 108           HG3      PRO 108  14.993  -5.853  -6.903
  907    HD2  PRO 108           HD2      PRO 108  13.558  -3.711  -5.404
  908    HD3  PRO 108           HD3      PRO 108  14.982  -3.596  -6.459
  909    H    GLU 109           H        GLU 109  10.914  -6.546  -9.199
  910    HA   GLU 109           HA       GLU 109   8.532  -4.977  -8.455
  911    HB2  GLU 109           HB2      GLU 109   7.548  -5.874 -10.628
  912    HB3  GLU 109           HB3      GLU 109   8.795  -4.644 -10.782
  913    HG2  GLU 109           HG2      GLU 109  10.420  -6.251 -11.416
  914    HG3  GLU 109           HG3      GLU 109   9.353  -7.589 -10.992
  915    H    ASN 110           H        ASN 110  10.018  -7.598  -7.557
  916    HA   ASN 110           HA       ASN 110   8.370  -9.794  -7.945
  917    HB2  ASN 110           HB2      ASN 110  10.671  -9.435  -6.627
  918    HB3  ASN 110           HB3      ASN 110   9.576  -9.444  -5.248
  919   HD21  ASN 110          HD21      ASN 110  11.346 -11.318  -7.376
  920   HD22  ASN 110          HD22      ASN 110  10.652 -12.856  -7.008
  921    H    THR 111           H        THR 111   6.349 -10.222  -7.390
  922    HA   THR 111           HA       THR 111   4.955  -8.468  -5.544
  923    HB   THR 111           HB       THR 111   3.234 -10.541  -6.442
  924    HG1  THR 111           HG1      THR 111   4.995  -9.530  -8.430
  925   HG21  THR 111          HG21      THR 111   2.665  -8.163  -5.981
  926   HG22  THR 111          HG22      THR 111   2.065  -8.732  -7.540
  927   HG23  THR 111          HG23      THR 111   3.501  -7.713  -7.467
  928    HA   PRO 112           HA       PRO 112   5.794 -11.380  -2.201
  929    HB2  PRO 112           HB2      PRO 112   3.781  -9.661  -0.854
  930    HB3  PRO 112           HB3      PRO 112   5.398 -10.143  -0.317
  931    HG2  PRO 112           HG2      PRO 112   4.979  -7.678  -1.190
  932    HG3  PRO 112           HG3      PRO 112   6.467  -8.551  -1.614
  933    HD2  PRO 112           HD2      PRO 112   4.042  -8.047  -3.285
  934    HD3  PRO 112           HD3      PRO 112   5.760  -8.005  -3.739
  935    H    THR 113           H        THR 113   4.767 -13.219  -1.584
  936    HA   THR 113           HA       THR 113   1.870 -13.392  -1.582
  937    HB   THR 113           HB       THR 113   2.941 -15.666  -3.048
  938    HG1  THR 113           HG1      THR 113   3.113 -14.318  -5.034
  939   HG21  THR 113          HG21      THR 113   0.556 -15.162  -2.813
  940   HG22  THR 113          HG22      THR 113   1.037 -15.185  -4.510
  941   HG23  THR 113          HG23      THR 113   0.787 -13.647  -3.685
  942    H    ALA 114           H        ALA 114   1.267 -14.554   0.121
  943    HA   ALA 114           HA       ALA 114   3.120 -15.861   1.804
  944    HB1  ALA 114           HB1      ALA 114   1.176 -16.557   3.101
  945    HB2  ALA 114           HB2      ALA 114   0.112 -16.080   1.778
  946    HB3  ALA 114           HB3      ALA 114   1.050 -14.861   2.638
  947    H    ARG 115           H        ARG 115   2.911 -18.153   2.520
  948    HA   ARG 115           HA       ARG 115   2.943 -19.878   0.187
  949    HB2  ARG 115           HB2      ARG 115   3.760 -21.596   1.839
  950    HB3  ARG 115           HB3      ARG 115   4.781 -20.174   1.674
  951    HG2  ARG 115           HG2      ARG 115   3.702 -19.248   3.719
  952    HG3  ARG 115           HG3      ARG 115   2.864 -20.789   3.910
  953    HD2  ARG 115           HD2      ARG 115   4.919 -20.615   5.279
  954    HD3  ARG 115           HD3      ARG 115   4.954 -21.955   4.135
  955    HE   ARG 115           HE       ARG 115   6.296 -19.399   3.555
  956   HH11  ARG 115          HH11      ARG 115   6.344 -22.872   3.862
  957   HH12  ARG 115          HH12      ARG 115   7.938 -23.036   3.210
  958   HH21  ARG 115          HH21      ARG 115   8.397 -19.608   2.692
  959   HH22  ARG 115          HH22      ARG 115   9.108 -21.181   2.545
  960    H    ARG 116           H        ARG 116   1.578 -21.562  -0.211
  961    HA   ARG 116           HA       ARG 116  -0.788 -21.759   1.535
  962    HB2  ARG 116           HB2      ARG 116  -0.473 -22.038  -1.446
  963    HB3  ARG 116           HB3      ARG 116  -1.869 -22.698  -0.606
  964    HG2  ARG 116           HG2      ARG 116  -2.349 -20.429   0.274
  965    HG3  ARG 116           HG3      ARG 116  -1.026 -19.813  -0.718
  966    HD2  ARG 116           HD2      ARG 116  -2.870 -21.466  -2.234
  967    HD3  ARG 116           HD3      ARG 116  -3.672 -20.086  -1.483
  968    HE   ARG 116           HE       ARG 116  -1.839 -20.029  -3.673
  969   HH11  ARG 116          HH11      ARG 116  -3.032 -18.213  -0.950
  970   HH12  ARG 116          HH12      ARG 116  -2.641 -16.673  -1.640
  971   HH21  ARG 116          HH21      ARG 116  -1.321 -18.008  -4.592
  972   HH22  ARG 116          HH22      ARG 116  -1.669 -16.557  -3.712
  973    H    ARG 117           H        ARG 117  -1.677 -23.810   1.950
  974    HA   ARG 117           HA       ARG 117   0.276 -25.920   2.083
  975    HB2  ARG 117           HB2      ARG 117  -2.641 -26.131   2.817
  976    HB3  ARG 117           HB3      ARG 117  -1.299 -27.089   3.428
  977    HG2  ARG 117           HG2      ARG 117  -0.418 -25.147   4.592
  978    HG3  ARG 117           HG3      ARG 117  -1.724 -24.152   3.945
  979    HD2  ARG 117           HD2      ARG 117  -2.454 -26.622   5.426
  980    HD3  ARG 117           HD3      ARG 117  -1.850 -25.251   6.356
  981    HE   ARG 117           HE       ARG 117  -3.814 -24.300   4.626
  982   HH11  ARG 117          HH11      ARG 117  -3.553 -26.448   7.360
  983   HH12  ARG 117          HH12      ARG 117  -5.168 -26.152   7.910
  984   HH21  ARG 117          HH21      ARG 117  -5.941 -23.904   5.345
  985   HH22  ARG 117          HH22      ARG 117  -6.525 -24.706   6.764
  Start of MODEL    4
    1    H5'   DT   1           H5'       DT   1 -14.358   6.139   6.810
    2   H5''   DT   1          H5''       DT   1 -16.102   5.815   6.863
    3    H4'   DT   1           H4'       DT   1 -14.222   6.141   9.197
    4    H3'   DT   1           H3'       DT   1 -15.454   3.736   7.934
    5    H2'   DT   1           H2'       DT   1 -16.023   2.800  10.073
    6   H2''   DT   1          H2''       DT   1 -14.984   3.920  10.944
    7    H1'   DT   1           H1'       DT   1 -17.047   5.086  11.190
    8    H3    DT   1           H3        DT   1 -21.122   5.226   9.063
    9    H71   DT   1           H71       DT   1 -18.625   0.802   7.684
   10    H72   DT   1           H72       DT   1 -20.100   1.362   6.860
   11    H73   DT   1           H73       DT   1 -18.501   1.830   6.236
   12    H6    DT   1           H6        DT   1 -17.089   2.731   8.562
   13   HO5'   DT   1          HO5'       DT   1 -16.036   7.957   6.659
   14    H5'   DT   2           H5'       DT   2 -13.276  -0.341   8.098
   15   H5''   DT   2          H5''       DT   2 -11.922   0.734   8.505
   16    H4'   DT   2           H4'       DT   2 -12.554   0.643   5.644
   17    H3'   DT   2           H3'       DT   2 -11.975  -1.938   7.044
   18    H2'   DT   2           H2'       DT   2 -10.346  -2.514   5.380
   19   H2''   DT   2          H2''       DT   2 -10.918  -1.285   4.263
   20    H1'   DT   2           H1'       DT   2  -9.158  -0.017   5.203
   21    H3    DT   2           H3        DT   2  -7.892  -0.660  10.031
   22    H71   DT   2           H71       DT   2  -7.929  -5.023   7.727
   23    H72   DT   2           H72       DT   2  -6.249  -4.515   8.029
   24    H73   DT   2           H73       DT   2  -6.909  -4.467   6.377
   25    H6    DT   2           H6        DT   2  -8.425  -2.677   5.755
   26    H5'   DT   3           H5'       DT   3 -14.981  -4.585   2.447
   27   H5''   DT   3          H5''       DT   3 -13.323  -4.664   3.079
   28    H4'   DT   3           H4'       DT   3 -14.381  -3.179   0.867
   29    H3'   DT   3           H3'       DT   3 -11.924  -4.376   1.511
   30    H2'   DT   3           H2'       DT   3 -10.974  -2.430   2.527
   31   H2''   DT   3          H2''       DT   3 -10.601  -2.090   0.842
   32    H1'   DT   3           H1'       DT   3 -12.722  -0.876   0.544
   33    H3    DT   3           H3        DT   3 -13.439   2.863   3.191
   34    H71   DT   3           H71       DT   3  -9.380   1.548   5.326
   35    H72   DT   3           H72       DT   3  -8.790   2.549   3.979
   36    H73   DT   3           H73       DT   3  -8.531   0.790   3.956
   37    H6    DT   3           H6        DT   3 -10.068  -0.467   2.707
   38    H5'   DT   4           H5'       DT   4 -14.835  -2.473  -3.244
   39   H5''   DT   4          H5''       DT   4 -13.828  -3.140  -4.543
   40    H4'   DT   4           H4'       DT   4 -13.619  -0.639  -3.333
   41    H3'   DT   4           H3'       DT   4 -12.142  -2.100  -5.424
   42    H2'   DT   4           H2'       DT   4 -10.029  -1.337  -4.801
   43   H2''   DT   4          H2''       DT   4 -10.648   0.301  -4.616
   44    H1'   DT   4           H1'       DT   4 -10.959   0.126  -2.366
   45    H3    DT   4           H3        DT   4  -6.416  -1.436  -2.302
   46    H71   DT   4           H71       DT   4  -8.194  -4.975   0.146
   47    H72   DT   4           H72       DT   4  -8.844  -3.787   1.299
   48    H73   DT   4           H73       DT   4  -9.941  -4.640   0.187
   49    H6    DT   4           H6        DT   4 -10.805  -2.788  -1.024
   50    H5'   DT   5           H5'       DT   5 -12.874  -0.965  -9.345
   51   H5''   DT   5          H5''       DT   5 -13.115  -2.472  -8.436
   52    H4'   DT   5           H4'       DT   5 -11.211  -1.825 -10.514
   53    H3'   DT   5           H3'       DT   5 -12.770  -3.980 -10.054
   54    H2'   DT   5           H2'       DT   5 -11.635  -4.799  -8.104
   55   H2''   DT   5          H2''       DT   5 -10.809  -5.694  -9.371
   56    H1'   DT   5           H1'       DT   5  -8.980  -4.120  -9.465
   57    H3    DT   5           H3        DT   5  -6.361  -4.702  -5.909
   58    H71   DT   5           H71       DT   5 -10.405  -3.043  -3.467
   59    H72   DT   5           H72       DT   5  -9.937  -4.693  -2.995
   60    H73   DT   5           H73       DT   5 -11.359  -4.435  -4.035
   61    H6    DT   5           H6        DT   5 -11.026  -3.854  -6.381
   62    H5'   DT   6           H5'       DT   6  -8.776  -4.607 -12.718
   63   H5''   DT   6          H5''       DT   6  -8.660  -6.200 -13.492
   64    H4'   DT   6           H4'       DT   6  -7.138  -5.058 -11.199
   65    H3'   DT   6           H3'       DT   6  -6.434  -6.430 -13.758
   66   HO3'   DT   6          HO3'       DT   6  -5.984  -4.121 -12.437
   67    H2'   DT   6           H2'       DT   6  -4.554  -7.512 -12.734
   68   H2''   DT   6          H2''       DT   6  -4.583  -6.447 -11.335
   69    H1'   DT   6           H1'       DT   6  -5.806  -8.212 -10.369
   70    H3    DT   6           H3        DT   6  -5.483 -12.113 -12.707
   71    H71   DT   6           H71       DT   6  -9.195  -9.568 -15.249
   72    H72   DT   6           H72       DT   6 -10.148  -9.984 -13.803
   73    H73   DT   6           H73       DT   6  -9.446 -11.274 -14.808
   74    H6    DT   6           H6        DT   6  -8.309  -8.274 -12.913
   75    H1   MET   1           H        MET   1  11.744  -2.401  14.787
   76    H1   MET   1           HT1      MET   1  11.355  -1.334  13.533
   77    H2   MET   1           H2       MET   1  11.889  -2.899  13.177
   78    HA   MET   1           HA       MET   1   9.927  -3.856  14.142
   79    HB2  MET   1           HB2      MET   1   9.224  -0.969  14.695
   80    HB3  MET   1           HB3      MET   1   8.067  -2.290  14.793
   81    HG2  MET   1           HG2      MET   1  10.195  -3.143  16.343
   82    HG3  MET   1           HG3      MET   1  10.058  -1.422  16.700
   83    HE1  MET   1           HE1      MET   1   9.729  -3.121  19.111
   84    HE2  MET   1           HE2      MET   1   9.284  -4.561  18.193
   85    HE3  MET   1           HE3      MET   1   8.185  -3.918  19.414
   86    H    GLU   2           H        GLU   2  11.066  -2.474  11.628
   87    HA   GLU   2           HA       GLU   2   8.535  -2.433  10.125
   88    HB2  GLU   2           HB2      GLU   2   9.982  -1.069   8.440
   89    HB3  GLU   2           HB3      GLU   2   9.309  -0.266   9.853
   90    HG2  GLU   2           HG2      GLU   2  11.889  -1.370  10.467
   91    HG3  GLU   2           HG3      GLU   2  11.979  -0.341   9.039
   92    H    GLU   3           H        GLU   3   8.292  -3.897   8.564
   93    HA   GLU   3           HA       GLU   3  10.561  -5.634   7.952
   94    HB2  GLU   3           HB2      GLU   3   9.012  -7.268   7.277
   95    HB3  GLU   3           HB3      GLU   3   8.286  -6.517   8.691
   96    HG2  GLU   3           HG2      GLU   3   7.122  -5.003   6.887
   97    HG3  GLU   3           HG3      GLU   3   7.473  -6.373   5.836
   98    H    LYS   4           H        LYS   4  10.521  -6.559   5.632
   99    HA   LYS   4           HA       LYS   4  10.585  -4.209   3.804
  100    HB2  LYS   4           HB2      LYS   4  11.820  -5.963   2.348
  101    HB3  LYS   4           HB3      LYS   4  12.653  -5.219   3.705
  102    HG2  LYS   4           HG2      LYS   4  11.215  -7.751   4.221
  103    HG3  LYS   4           HG3      LYS   4  12.690  -7.833   3.257
  104    HD2  LYS   4           HD2      LYS   4  12.844  -6.194   5.705
  105    HD3  LYS   4           HD3      LYS   4  12.640  -7.929   5.957
  106    HE2  LYS   4           HE2      LYS   4  14.558  -7.932   4.057
  107    HE3  LYS   4           HE3      LYS   4  14.934  -6.422   4.885
  108    HZ1  LYS   4           HZ1      LYS   4  14.681  -9.085   6.176
  109    HZ2  LYS   4           HZ2      LYS   4  15.044  -7.637   6.971
  110    HZ3  LYS   4           HZ3      LYS   4  16.133  -8.279   5.848
  111    H    VAL   5           H        VAL   5  10.150  -4.864   1.444
  112    HA   VAL   5           HA       VAL   5   7.417  -5.677   1.281
  113    HB   VAL   5           HB       VAL   5   9.401  -5.148  -0.940
  114   HG11  VAL   5          HG11      VAL   5   7.572  -6.420  -1.810
  115   HG12  VAL   5          HG12      VAL   5   7.349  -4.737  -2.295
  116   HG13  VAL   5          HG13      VAL   5   6.401  -5.405  -0.967
  117   HG21  VAL   5          HG21      VAL   5   7.346  -3.329   0.315
  118   HG22  VAL   5          HG22      VAL   5   8.374  -2.934  -1.063
  119   HG23  VAL   5          HG23      VAL   5   9.093  -3.216   0.523
  120    H    GLY   6           H        GLY   6  10.515  -7.169   0.508
  121    HA2  GLY   6           HA2      GLY   6   9.345  -9.450  -0.790
  122    HA3  GLY   6           HA3      GLY   6  11.028  -9.263  -0.325
  123    H    ASN   7           H        ASN   7   9.174  -8.589   2.338
  124    HA   ASN   7           HA       ASN   7   9.175 -11.391   3.234
  125    HB2  ASN   7           HB2      ASN   7  11.044  -9.760   4.093
  126    HB3  ASN   7           HB3      ASN   7   9.767  -9.178   5.154
  127   HD21  ASN   7          HD21      ASN   7  10.274  -9.951   7.075
  128   HD22  ASN   7          HD22      ASN   7  10.606 -11.575   7.437
  129    H    LEU   8           H        LEU   8   7.271  -8.829   2.560
  130    HA   LEU   8           HA       LEU   8   5.579  -8.822   4.897
  131    HB2  LEU   8           HB2      LEU   8   4.485  -7.084   3.928
  132    HB3  LEU   8           HB3      LEU   8   5.977  -6.987   3.016
  133    HG   LEU   8           HG       LEU   8   4.542  -8.675   1.444
  134   HD11  LEU   8          HD11      LEU   8   2.405  -8.707   2.102
  135   HD12  LEU   8          HD12      LEU   8   2.330  -7.026   1.462
  136   HD13  LEU   8          HD13      LEU   8   2.658  -7.315   3.191
  137   HD21  LEU   8          HD21      LEU   8   5.720  -6.815   0.567
  138   HD22  LEU   8          HD22      LEU   8   4.680  -5.674   1.423
  139   HD23  LEU   8          HD23      LEU   8   4.030  -6.630   0.092
  140    H    LYS   9           H        LYS   9   3.381  -9.602   4.950
  141    HA   LYS   9           HA       LYS   9   2.602 -11.492   2.935
  142    HB2  LYS   9           HB2      LYS   9   2.062 -13.033   4.476
  143    HB3  LYS   9           HB3      LYS   9   3.646 -12.561   4.834
  144    HG2  LYS   9           HG2      LYS   9   3.026 -12.060   6.943
  145    HG3  LYS   9           HG3      LYS   9   1.761 -11.034   6.309
  146    HD2  LYS   9           HD2      LYS   9   0.413 -12.526   7.372
  147    HD3  LYS   9           HD3      LYS   9   0.634 -13.431   5.874
  148    HE2  LYS   9           HE2      LYS   9   1.420 -15.097   7.125
  149    HE3  LYS   9           HE3      LYS   9   2.846 -14.101   7.404
  150    HZ1  LYS   9           HZ1      LYS   9   1.777 -13.191   9.374
  151    HZ2  LYS   9           HZ2      LYS   9   1.900 -14.875   9.480
  152    HZ3  LYS   9           HZ3      LYS   9   0.414 -14.159   9.108
  153    HA   PRO  10           HA       PRO  10  -1.291  -9.437   3.279
  154    HB2  PRO  10           HB2      PRO  10  -2.989 -11.291   2.328
  155    HB3  PRO  10           HB3      PRO  10  -1.824 -10.467   1.320
  156    HG2  PRO  10           HG2      PRO  10  -1.694 -13.199   2.508
  157    HG3  PRO  10           HG3      PRO  10  -1.198 -12.678   0.887
  158    HD2  PRO  10           HD2      PRO  10   0.623 -13.006   2.949
  159    HD3  PRO  10           HD3      PRO  10   0.830 -11.939   1.595
  160    H    ASN  11           H        ASN  11  -3.446  -9.578   4.225
  161    HA   ASN  11           HA       ASN  11  -4.965 -10.054   5.880
  162    HB2  ASN  11           HB2      ASN  11  -3.596 -12.629   5.524
  163    HB3  ASN  11           HB3      ASN  11  -4.329 -12.412   7.111
  164   HD21  ASN  11          HD21      ASN  11  -4.939 -12.413   3.654
  165   HD22  ASN  11          HD22      ASN  11  -6.650 -12.764   3.771
  166    H    MET  12           H        MET  12  -2.322  -8.706   6.422
  167    HA   MET  12           HA       MET  12  -2.127  -9.217   9.265
  168    HB2  MET  12           HB2      MET  12  -0.284  -7.795   7.340
  169    HB3  MET  12           HB3      MET  12  -0.058  -7.894   9.033
  170    HG2  MET  12           HG2      MET  12  -0.362 -10.509   8.432
  171    HG3  MET  12           HG3      MET  12   0.402  -9.856   6.992
  172    HE1  MET  12           HE1      MET  12   2.855  -9.092   6.799
  173    HE2  MET  12           HE2      MET  12   3.840  -8.631   8.207
  174    HE3  MET  12           HE3      MET  12   2.387  -7.716   7.806
  175    H    GLU  13           H        GLU  13  -2.974  -7.815  10.655
  176    HA   GLU  13           HA       GLU  13  -4.162  -5.370   9.666
  177    HB2  GLU  13           HB2      GLU  13  -4.129  -5.927  12.576
  178    HB3  GLU  13           HB3      GLU  13  -5.445  -5.378  11.550
  179    HG2  GLU  13           HG2      GLU  13  -5.230  -7.842  10.599
  180    HG3  GLU  13           HG3      GLU  13  -4.566  -8.130  12.206
  181    H    SER  14           H        SER  14  -1.141  -5.911  10.078
  182    HA   SER  14           HA       SER  14  -0.524  -3.224  10.907
  183    HB2  SER  14           HB2      SER  14   1.229  -4.188  12.588
  184    HB3  SER  14           HB3      SER  14  -0.445  -4.011  13.105
  185    HG   SER  14           HG       SER  14   0.771  -6.391  12.153
  186    H    VAL  15           H        VAL  15   0.853  -2.590   9.386
  187    HA   VAL  15           HA       VAL  15   3.091  -4.343   8.682
  188    HB   VAL  15           HB       VAL  15   1.950  -2.857   6.399
  189   HG11  VAL  15          HG11      VAL  15   2.618  -4.887   5.201
  190   HG12  VAL  15          HG12      VAL  15   3.036  -5.651   6.734
  191   HG13  VAL  15          HG13      VAL  15   3.938  -4.241   6.177
  192   HG21  VAL  15          HG21      VAL  15   0.045  -4.039   6.059
  193   HG22  VAL  15          HG22      VAL  15   0.064  -4.115   7.822
  194   HG23  VAL  15          HG23      VAL  15   0.659  -5.477   6.872
  195    H    ASN  16           H        ASN  16   4.814  -3.210   9.222
  196    HA   ASN  16           HA       ASN  16   4.910  -0.324   8.687
  197    HB2  ASN  16           HB2      ASN  16   5.585  -1.804  10.943
  198    HB3  ASN  16           HB3      ASN  16   7.081  -1.234  10.236
  199   HD21  ASN  16          HD21      ASN  16   6.698   1.152   9.367
  200   HD22  ASN  16          HD22      ASN  16   6.087   2.214  10.609
  201    H    VAL  17           H        VAL  17   6.232   0.414   7.105
  202    HA   VAL  17           HA       VAL  17   8.625  -1.041   6.401
  203    HB   VAL  17           HB       VAL  17   7.220  -2.426   5.200
  204   HG11  VAL  17          HG11      VAL  17   5.279  -0.710   5.456
  205   HG12  VAL  17          HG12      VAL  17   5.250  -1.888   4.122
  206   HG13  VAL  17          HG13      VAL  17   5.759  -0.229   3.812
  207   HG21  VAL  17          HG21      VAL  17   9.053  -1.763   3.786
  208   HG22  VAL  17          HG22      VAL  17   8.210  -0.289   3.315
  209   HG23  VAL  17          HG23      VAL  17   7.612  -1.857   2.773
  210    H    THR  18           H        THR  18   9.972   0.057   4.931
  211    HA   THR  18           HA       THR  18   9.258   2.867   4.423
  212    HB   THR  18           HB       THR  18  12.130   2.205   4.416
  213    HG1  THR  18           HG1      THR  18  12.136   2.286   6.790
  214   HG21  THR  18          HG21      THR  18  10.358   4.449   5.016
  215   HG22  THR  18          HG22      THR  18  12.030   4.448   4.417
  216   HG23  THR  18          HG23      THR  18  11.699   4.293   6.154
  217    H    VAL  19           H        VAL  19   9.371   3.507   2.277
  218    HA   VAL  19           HA       VAL  19  10.862   2.016   0.387
  219    HB   VAL  19           HB       VAL  19   8.961   1.604  -1.139
  220   HG11  VAL  19          HG11      VAL  19   9.698  -0.216   0.147
  221   HG12  VAL  19          HG12      VAL  19   7.897  -0.138   0.007
  222   HG13  VAL  19          HG13      VAL  19   8.750   0.388   1.565
  223   HG21  VAL  19          HG21      VAL  19   7.335   3.175  -0.505
  224   HG22  VAL  19          HG22      VAL  19   7.387   2.676   1.183
  225   HG23  VAL  19          HG23      VAL  19   6.659   1.617  -0.023
  226    H    ARG  20           H        ARG  20  10.179   2.944  -1.915
  227    HA   ARG  20           HA       ARG  20  10.021   5.821  -1.649
  228    HB2  ARG  20           HB2      ARG  20  12.208   4.784  -2.405
  229    HB3  ARG  20           HB3      ARG  20  11.421   4.373  -3.893
  230    HG2  ARG  20           HG2      ARG  20  12.131   6.420  -4.597
  231    HG3  ARG  20           HG3      ARG  20  10.888   7.094  -3.540
  232    HD2  ARG  20           HD2      ARG  20  12.465   7.235  -1.715
  233    HD3  ARG  20           HD3      ARG  20  13.706   6.448  -2.687
  234    HE   ARG  20           HE       ARG  20  12.619   9.140  -3.201
  235   HH11  ARG  20          HH11      ARG  20  15.176   6.776  -3.432
  236   HH12  ARG  20          HH12      ARG  20  16.305   7.881  -4.141
  237   HH21  ARG  20          HH21      ARG  20  14.103  10.597  -4.135
  238   HH22  ARG  20          HH22      ARG  20  15.695  10.052  -4.541
  239    H    VAL  21           H        VAL  21   8.900   7.007  -3.320
  240    HA   VAL  21           HA       VAL  21   6.543   5.581  -4.238
  241    HB   VAL  21           HB       VAL  21   7.458   8.414  -5.035
  242   HG11  VAL  21          HG11      VAL  21   5.066   8.783  -5.355
  243   HG12  VAL  21          HG12      VAL  21   4.776   7.080  -5.006
  244   HG13  VAL  21          HG13      VAL  21   5.703   7.541  -6.434
  245   HG21  VAL  21          HG21      VAL  21   6.132   9.222  -3.184
  246   HG22  VAL  21          HG22      VAL  21   7.451   8.197  -2.615
  247   HG23  VAL  21          HG23      VAL  21   5.807   7.561  -2.686
  248    H    LEU  22           H        LEU  22   6.269   4.610  -6.117
  249    HA   LEU  22           HA       LEU  22   8.251   4.928  -8.245
  250    HB2  LEU  22           HB2      LEU  22   6.230   2.712  -7.933
  251    HB3  LEU  22           HB3      LEU  22   7.618   2.750  -8.965
  252    HG   LEU  22           HG       LEU  22   7.623   2.501  -5.988
  253   HD11  LEU  22          HD11      LEU  22   8.718   0.623  -8.064
  254   HD12  LEU  22          HD12      LEU  22   7.102   0.480  -7.375
  255   HD13  LEU  22          HD13      LEU  22   8.518   0.331  -6.336
  256   HD21  LEU  22          HD21      LEU  22  10.046   2.568  -7.774
  257   HD22  LEU  22          HD22      LEU  22   9.983   2.523  -6.012
  258   HD23  LEU  22          HD23      LEU  22   9.463   3.966  -6.867
  259    H    GLU  23           H        GLU  23   4.978   5.330  -7.372
  260    HA   GLU  23           HA       GLU  23   4.422   6.836  -9.802
  261    HB2  GLU  23           HB2      GLU  23   4.036   4.277 -10.260
  262    HB3  GLU  23           HB3      GLU  23   2.548   4.543  -9.363
  263    HG2  GLU  23           HG2      GLU  23   1.646   5.140 -11.300
  264    HG3  GLU  23           HG3      GLU  23   2.579   6.626 -11.162
  265    H    ALA  24           H        ALA  24   2.116   7.679  -9.774
  266    HA   ALA  24           HA       ALA  24   0.692   7.578  -7.290
  267    HB1  ALA  24           HB1      ALA  24   2.129  10.137  -8.000
  268    HB2  ALA  24           HB2      ALA  24   2.511   9.074  -6.645
  269    HB3  ALA  24           HB3      ALA  24   0.971   9.934  -6.685
  270    H    SER  25           H        SER  25  -1.397   7.881  -7.705
  271    HA   SER  25           HA       SER  25  -2.124   9.323 -10.177
  272    HB2  SER  25           HB2      SER  25  -2.680   6.716  -9.619
  273    HB3  SER  25           HB3      SER  25  -4.129   7.505  -8.996
  274    HG   SER  25           HG       SER  25  -3.824   6.866 -11.411
  275    H    GLU  26           H        GLU  26  -4.028  10.641 -10.130
  276    HA   GLU  26           HA       GLU  26  -4.287  12.185  -7.794
  277    HB2  GLU  26           HB2      GLU  26  -6.242  12.106 -10.092
  278    HB3  GLU  26           HB3      GLU  26  -5.923  13.428  -8.994
  279    HG2  GLU  26           HG2      GLU  26  -3.872  12.352 -10.888
  280    HG3  GLU  26           HG3      GLU  26  -4.962  13.679 -11.286
  281    H    ALA  27           H        ALA  27  -6.132  12.508  -6.501
  282    HA   ALA  27           HA       ALA  27  -7.220  10.020  -5.645
  283    HB1  ALA  27           HB1      ALA  27  -8.043  11.313  -3.763
  284    HB2  ALA  27           HB2      ALA  27  -7.628  12.808  -4.605
  285    HB3  ALA  27           HB3      ALA  27  -6.336  11.679  -4.122
  286    H    ARG  28           H        ARG  28  -9.100   9.134  -6.006
  287    HA   ARG  28           HA       ARG  28 -11.252  10.699  -7.257
  288    HB2  ARG  28           HB2      ARG  28 -10.535   9.652  -9.160
  289    HB3  ARG  28           HB3      ARG  28  -9.799   8.324  -8.282
  290    HG2  ARG  28           HG2      ARG  28 -12.616   8.118  -7.981
  291    HG3  ARG  28           HG3      ARG  28 -12.259   8.380  -9.688
  292    HD2  ARG  28           HD2      ARG  28 -10.750   6.496  -9.708
  293    HD3  ARG  28           HD3      ARG  28 -10.934   6.285  -7.968
  294    HE   ARG  28           HE       ARG  28 -13.424   6.119  -9.372
  295   HH11  ARG  28          HH11      ARG  28 -10.584   4.309  -8.445
  296   HH12  ARG  28          HH12      ARG  28 -11.389   2.776  -8.502
  297   HH21  ARG  28          HH21      ARG  28 -14.481   4.102  -9.448
  298   HH22  ARG  28          HH22      ARG  28 -13.600   2.658  -9.072
  299    H    GLN  29           H        GLN  29 -13.375   9.802  -7.027
  300    HA   GLN  29           HA       GLN  29 -13.807   8.515  -4.484
  301    HB2  GLN  29           HB2      GLN  29 -15.628   9.736  -6.550
  302    HB3  GLN  29           HB3      GLN  29 -16.252   8.871  -5.155
  303    HG2  GLN  29           HG2      GLN  29 -15.088  10.429  -3.685
  304    HG3  GLN  29           HG3      GLN  29 -14.518  11.321  -5.092
  305   HE21  GLN  29          HE21      GLN  29 -17.271  10.528  -3.119
  306   HE22  GLN  29          HE22      GLN  29 -18.322  11.752  -3.737
  307    H    ILE  30           H        ILE  30 -14.652   6.512  -4.129
  308    HA   ILE  30           HA       ILE  30 -15.235   4.856  -6.495
  309    HB   ILE  30           HB       ILE  30 -14.300   2.933  -5.440
  310   HG12  ILE  30          HG12      ILE  30 -13.603   4.555  -3.004
  311   HG13  ILE  30          HG13      ILE  30 -15.138   3.697  -3.149
  312   HG21  ILE  30          HG21      ILE  30 -12.516   5.341  -5.228
  313   HG22  ILE  30          HG22      ILE  30 -12.559   4.105  -6.490
  314   HG23  ILE  30          HG23      ILE  30 -11.921   3.708  -4.885
  315   HD11  ILE  30          HD11      ILE  30 -13.280   2.511  -1.907
  316   HD12  ILE  30          HD12      ILE  30 -12.480   2.332  -3.469
  317   HD13  ILE  30          HD13      ILE  30 -14.061   1.599  -3.199
  318    H    GLN  31           H        GLN  31 -16.732   3.060  -6.002
  319    HA   GLN  31           HA       GLN  31 -18.696   3.830  -3.962
  320    HB2  GLN  31           HB2      GLN  31 -19.056   2.603  -6.689
  321    HB3  GLN  31           HB3      GLN  31 -20.316   2.524  -5.465
  322    HG2  GLN  31           HG2      GLN  31 -20.455   4.928  -5.394
  323    HG3  GLN  31           HG3      GLN  31 -19.101   5.069  -6.513
  324   HE21  GLN  31          HE21      GLN  31 -19.410   4.619  -8.682
  325   HE22  GLN  31          HE22      GLN  31 -20.980   4.485  -9.388
  326    H    THR  32           H        THR  32 -18.586   2.536  -2.271
  327    HA   THR  32           HA       THR  32 -17.932  -0.305  -2.664
  328    HB   THR  32           HB       THR  32 -17.355  -0.380  -0.293
  329    HG1  THR  32           HG1      THR  32 -18.353   2.251  -0.378
  330   HG21  THR  32          HG21      THR  32 -16.058   1.731  -1.986
  331   HG22  THR  32          HG22      THR  32 -15.501   0.094  -1.641
  332   HG23  THR  32          HG23      THR  32 -15.437   1.335  -0.382
  333    H    LYS  33           H        LYS  33 -18.869  -1.487  -0.499
  334    HA   LYS  33           HA       LYS  33 -21.719  -1.462  -0.942
  335    HB2  LYS  33           HB2      LYS  33 -21.757  -3.457   0.452
  336    HB3  LYS  33           HB3      LYS  33 -20.481  -3.585  -0.749
  337    HG2  LYS  33           HG2      LYS  33 -18.794  -3.225   0.841
  338    HG3  LYS  33           HG3      LYS  33 -19.942  -2.628   2.040
  339    HD2  LYS  33           HD2      LYS  33 -20.981  -4.938   1.995
  340    HD3  LYS  33           HD3      LYS  33 -19.567  -5.451   1.069
  341    HE2  LYS  33           HE2      LYS  33 -18.104  -4.760   2.882
  342    HE3  LYS  33           HE3      LYS  33 -19.490  -4.170   3.799
  343    HZ1  LYS  33           HZ1      LYS  33 -18.929  -6.988   3.053
  344    HZ2  LYS  33           HZ2      LYS  33 -20.350  -6.466   3.806
  345    HZ3  LYS  33           HZ3      LYS  33 -18.867  -6.319   4.606
  346    H    ASN  34           H        ASN  34 -19.618   0.168   1.055
  347    HA   ASN  34           HA       ASN  34 -21.621   0.481   3.192
  348    HB2  ASN  34           HB2      ASN  34 -18.670   1.155   3.263
  349    HB3  ASN  34           HB3      ASN  34 -19.798   1.296   4.606
  350   HD21  ASN  34          HD21      ASN  34 -20.618  -0.596   5.564
  351   HD22  ASN  34          HD22      ASN  34 -19.800  -2.109   5.400
  352    H    GLY  35           H        GLY  35 -20.868   1.889   0.408
  353    HA2  GLY  35           HA2      GLY  35 -22.123   4.028   0.081
  354    HA3  GLY  35           HA3      GLY  35 -21.229   4.628   1.468
  355    H    VAL  36           H        VAL  36 -20.327   6.347   0.291
  356    HA   VAL  36           HA       VAL  36 -18.384   5.501  -1.745
  357    HB   VAL  36           HB       VAL  36 -20.075   6.886  -2.748
  358   HG11  VAL  36          HG11      VAL  36 -20.483   9.184  -2.078
  359   HG12  VAL  36          HG12      VAL  36 -19.299   9.041  -0.778
  360   HG13  VAL  36          HG13      VAL  36 -20.789   8.098  -0.721
  361   HG21  VAL  36          HG21      VAL  36 -17.503   8.424  -2.433
  362   HG22  VAL  36          HG22      VAL  36 -18.684   8.622  -3.730
  363   HG23  VAL  36          HG23      VAL  36 -17.794   7.105  -3.569
  364    H    ARG  37           H        ARG  37 -16.355   6.154  -1.683
  365    HA   ARG  37           HA       ARG  37 -15.349   7.880   0.456
  366    HB2  ARG  37           HB2      ARG  37 -13.560   6.284   0.751
  367    HB3  ARG  37           HB3      ARG  37 -15.061   5.950   1.545
  368    HG2  ARG  37           HG2      ARG  37 -14.599   4.717  -1.117
  369    HG3  ARG  37           HG3      ARG  37 -13.797   4.021   0.288
  370    HD2  ARG  37           HD2      ARG  37 -16.703   4.657   0.390
  371    HD3  ARG  37           HD3      ARG  37 -16.148   3.184  -0.392
  372    HE   ARG  37           HE       ARG  37 -15.004   2.737   1.837
  373   HH11  ARG  37          HH11      ARG  37 -18.018   4.474   1.524
  374   HH12  ARG  37          HH12      ARG  37 -18.543   4.110   3.133
  375   HH21  ARG  37          HH21      ARG  37 -15.677   2.285   3.967
  376   HH22  ARG  37          HH22      ARG  37 -17.214   2.865   4.521
  377    H    THR  38           H        THR  38 -12.956   8.267   0.138
  378    HA   THR  38           HA       THR  38 -12.553   8.732  -2.749
  379    HB   THR  38           HB       THR  38 -11.125  10.719  -1.822
  380    HG1  THR  38           HG1      THR  38 -11.549  11.329   0.170
  381   HG21  THR  38          HG21      THR  38 -14.135  10.848  -1.917
  382   HG22  THR  38          HG22      THR  38 -13.044  11.002  -3.296
  383   HG23  THR  38          HG23      THR  38 -13.045  12.229  -2.030
  384    H    ILE  39           H        ILE  39 -11.037   7.374  -3.342
  385    HA   ILE  39           HA       ILE  39  -8.639   7.246  -1.649
  386    HB   ILE  39           HB       ILE  39  -8.410   4.872  -2.342
  387   HG12  ILE  39          HG12      ILE  39 -11.293   4.734  -2.925
  388   HG13  ILE  39          HG13      ILE  39 -10.304   5.451  -4.201
  389   HG21  ILE  39          HG21      ILE  39  -9.568   4.179  -0.526
  390   HG22  ILE  39          HG22      ILE  39 -11.025   5.058  -0.984
  391   HG23  ILE  39          HG23      ILE  39  -9.672   5.913  -0.261
  392   HD11  ILE  39          HD11      ILE  39  -8.842   3.270  -3.604
  393   HD12  ILE  39          HD12      ILE  39 -10.115   3.289  -4.820
  394   HD13  ILE  39          HD13      ILE  39 -10.455   2.689  -3.197
  395    H    SER  40           H        SER  40  -6.859   6.098  -2.908
  396    HA   SER  40           HA       SER  40  -6.880   6.588  -5.752
  397    HB2  SER  40           HB2      SER  40  -6.237   8.772  -4.631
  398    HB3  SER  40           HB3      SER  40  -4.781   7.936  -4.062
  399    HG   SER  40           HG       SER  40  -5.269   9.008  -6.461
  400    H    GLU  41           H        GLU  41  -4.758   5.935  -6.702
  401    HA   GLU  41           HA       GLU  41  -3.597   3.790  -5.101
  402    HB2  GLU  41           HB2      GLU  41  -5.217   3.238  -7.076
  403    HB3  GLU  41           HB3      GLU  41  -3.837   3.642  -8.083
  404    HG2  GLU  41           HG2      GLU  41  -2.902   1.868  -6.109
  405    HG3  GLU  41           HG3      GLU  41  -4.430   1.216  -6.695
  406    H    ALA  42           H        ALA  42  -1.428   3.575  -5.110
  407    HA   ALA  42           HA       ALA  42   0.191   5.126  -6.984
  408    HB1  ALA  42           HB1      ALA  42  -0.280   6.645  -5.108
  409    HB2  ALA  42           HB2      ALA  42   1.431   6.244  -5.239
  410    HB3  ALA  42           HB3      ALA  42   0.439   5.478  -3.999
  411    H    ILE  43           H        ILE  43   1.974   4.027  -7.540
  412    HA   ILE  43           HA       ILE  43   2.512   1.494  -6.254
  413    HB   ILE  43           HB       ILE  43   3.940   2.747  -8.601
  414   HG12  ILE  43          HG12      ILE  43   1.625   2.560  -9.194
  415   HG13  ILE  43          HG13      ILE  43   2.477   1.229  -9.968
  416   HG21  ILE  43          HG21      ILE  43   4.754   0.573  -9.104
  417   HG22  ILE  43          HG22      ILE  43   3.738  -0.165  -7.867
  418   HG23  ILE  43          HG23      ILE  43   5.089   0.868  -7.398
  419   HD11  ILE  43          HD11      ILE  43   1.729  -0.234  -8.092
  420   HD12  ILE  43          HD12      ILE  43   0.425   0.400  -9.098
  421   HD13  ILE  43          HD13      ILE  43   0.746   1.114  -7.517
  422    H    VAL  44           H        VAL  44   4.025   1.136  -4.833
  423    HA   VAL  44           HA       VAL  44   6.425   2.807  -4.551
  424    HB   VAL  44           HB       VAL  44   6.217   1.664  -1.988
  425   HG11  VAL  44          HG11      VAL  44   5.214   4.181  -3.204
  426   HG12  VAL  44          HG12      VAL  44   5.762   3.910  -1.542
  427   HG13  VAL  44          HG13      VAL  44   4.064   3.571  -1.999
  428   HG21  VAL  44          HG21      VAL  44   4.212   0.495  -2.875
  429   HG22  VAL  44          HG22      VAL  44   3.483   2.094  -3.132
  430   HG23  VAL  44          HG23      VAL  44   3.874   1.551  -1.492
  431    H    GLY  45           H        GLY  45   8.064   1.682  -3.430
  432    HA2  GLY  45           HA2      GLY  45   8.081  -0.971  -2.726
  433    HA3  GLY  45           HA3      GLY  45   8.595  -0.973  -4.406
  434    H    ASP  46           H        ASP  46  10.299  -1.992  -2.629
  435    HA   ASP  46           HA       ASP  46  12.384   0.077  -2.422
  436    HB2  ASP  46           HB2      ASP  46  13.214  -1.088  -0.382
  437    HB3  ASP  46           HB3      ASP  46  11.615  -0.388  -0.174
  438    H    GLU  47           H        GLU  47  14.443  -1.577  -1.600
  439    HA   GLU  47           HA       GLU  47  15.160  -2.821  -4.061
  440    HB2  GLU  47           HB2      GLU  47  17.247  -3.474  -2.765
  441    HB3  GLU  47           HB3      GLU  47  16.926  -1.754  -2.919
  442    HG2  GLU  47           HG2      GLU  47  16.782  -1.484  -0.717
  443    HG3  GLU  47           HG3      GLU  47  15.728  -2.885  -0.533
  444    H    THR  48           H        THR  48  13.197  -3.921  -1.673
  445    HA   THR  48           HA       THR  48  14.132  -6.700  -1.892
  446    HB   THR  48           HB       THR  48  13.013  -7.186   0.085
  447    HG1  THR  48           HG1      THR  48  11.140  -5.642  -0.829
  448   HG21  THR  48          HG21      THR  48  14.902  -5.434   0.244
  449   HG22  THR  48          HG22      THR  48  13.887  -5.710   1.659
  450   HG23  THR  48          HG23      THR  48  13.604  -4.303   0.633
  451    H    GLY  49           H        GLY  49  12.099  -4.740  -3.563
  452    HA2  GLY  49           HA2      GLY  49  10.907  -6.364  -5.216
  453    HA3  GLY  49           HA3      GLY  49   9.938  -6.693  -3.792
  454    H    ARG  50           H        ARG  50   8.059  -5.930  -4.681
  455    HA   ARG  50           HA       ARG  50   7.685  -3.100  -4.578
  456    HB2  ARG  50           HB2      ARG  50   8.430  -3.334  -6.877
  457    HB3  ARG  50           HB3      ARG  50   7.278  -4.637  -7.146
  458    HG2  ARG  50           HG2      ARG  50   5.573  -2.779  -6.365
  459    HG3  ARG  50           HG3      ARG  50   6.844  -1.726  -6.977
  460    HD2  ARG  50           HD2      ARG  50   5.852  -4.047  -8.591
  461    HD3  ARG  50           HD3      ARG  50   4.967  -2.525  -8.574
  462    HE   ARG  50           HE       ARG  50   7.802  -2.451  -9.248
  463   HH11  ARG  50          HH11      ARG  50   4.485  -2.268 -10.307
  464   HH12  ARG  50          HH12      ARG  50   4.880  -1.562 -11.839
  465   HH21  ARG  50          HH21      ARG  50   8.329  -1.520 -11.258
  466   HH22  ARG  50          HH22      ARG  50   7.064  -1.139 -12.379
  467    H    VAL  51           H        VAL  51   5.613  -2.584  -4.209
  468    HA   VAL  51           HA       VAL  51   3.501  -4.546  -4.388
  469    HB   VAL  51           HB       VAL  51   4.345  -5.052  -2.198
  470   HG11  VAL  51          HG11      VAL  51   4.133  -2.102  -1.598
  471   HG12  VAL  51          HG12      VAL  51   5.627  -3.017  -1.792
  472   HG13  VAL  51          HG13      VAL  51   4.553  -3.360  -0.436
  473   HG21  VAL  51          HG21      VAL  51   1.913  -3.304  -2.036
  474   HG22  VAL  51          HG22      VAL  51   2.409  -4.466  -0.805
  475   HG23  VAL  51          HG23      VAL  51   1.946  -5.023  -2.414
  476    H    LYS  52           H        LYS  52   1.589  -3.624  -4.882
  477    HA   LYS  52           HA       LYS  52   1.420  -0.868  -5.459
  478    HB2  LYS  52           HB2      LYS  52  -1.018  -2.577  -5.128
  479    HB3  LYS  52           HB3      LYS  52  -0.706  -1.315  -6.311
  480    HG2  LYS  52           HG2      LYS  52   1.218  -3.372  -6.692
  481    HG3  LYS  52           HG3      LYS  52  -0.375  -4.120  -6.573
  482    HD2  LYS  52           HD2      LYS  52  -1.216  -2.825  -8.371
  483    HD3  LYS  52           HD3      LYS  52   0.192  -1.762  -8.357
  484    HE2  LYS  52           HE2      LYS  52   0.329  -3.312 -10.218
  485    HE3  LYS  52           HE3      LYS  52   1.607  -3.652  -9.050
  486    HZ1  LYS  52           HZ1      LYS  52   0.261  -5.465  -8.171
  487    HZ2  LYS  52           HZ2      LYS  52   0.554  -5.684  -9.822
  488    HZ3  LYS  52           HZ3      LYS  52  -0.959  -5.138  -9.298
  489    H    LEU  53           H        LEU  53   0.739   0.845  -4.277
  490    HA   LEU  53           HA       LEU  53  -0.230   0.343  -1.551
  491    HB2  LEU  53           HB2      LEU  53   1.867   1.748  -2.065
  492    HB3  LEU  53           HB3      LEU  53   0.755   2.984  -2.608
  493    HG   LEU  53           HG       LEU  53   1.688   3.168  -0.232
  494   HD11  LEU  53          HD11      LEU  53  -0.171   4.527  -1.021
  495   HD12  LEU  53          HD12      LEU  53  -0.396   4.053   0.663
  496   HD13  LEU  53          HD13      LEU  53  -1.301   3.233  -0.611
  497   HD21  LEU  53          HD21      LEU  53   0.564   1.926   1.498
  498   HD22  LEU  53          HD22      LEU  53   1.347   0.813   0.376
  499   HD23  LEU  53          HD23      LEU  53  -0.399   1.066   0.297
  500    H    THR  54           H        THR  54  -2.087   1.180  -0.820
  501    HA   THR  54           HA       THR  54  -3.803   2.659  -2.649
  502    HB   THR  54           HB       THR  54  -5.070   0.710  -0.773
  503    HG1  THR  54           HG1      THR  54  -3.703   0.114  -3.173
  504   HG21  THR  54          HG21      THR  54  -5.871   2.583  -2.704
  505   HG22  THR  54          HG22      THR  54  -6.895   1.448  -1.832
  506   HG23  THR  54          HG23      THR  54  -6.210   1.001  -3.393
  507    H    LEU  55           H        LEU  55  -3.944   4.545  -1.745
  508    HA   LEU  55           HA       LEU  55  -3.908   5.007   1.074
  509    HB2  LEU  55           HB2      LEU  55  -4.714   7.008  -0.953
  510    HB3  LEU  55           HB3      LEU  55  -3.753   7.229   0.476
  511    HG   LEU  55           HG       LEU  55  -2.377   5.455  -1.283
  512   HD11  LEU  55          HD11      LEU  55  -1.987   7.554  -2.894
  513   HD12  LEU  55          HD12      LEU  55  -3.690   7.742  -2.506
  514   HD13  LEU  55          HD13      LEU  55  -3.125   6.249  -3.235
  515   HD21  LEU  55          HD21      LEU  55  -1.386   6.845   0.503
  516   HD22  LEU  55          HD22      LEU  55  -1.711   8.272  -0.484
  517   HD23  LEU  55          HD23      LEU  55  -0.596   7.035  -1.063
  518    H    TRP  56           H        TRP  56  -5.659   6.117   2.224
  519    HA   TRP  56           HA       TRP  56  -8.287   5.671   1.003
  520    HB2  TRP  56           HB2      TRP  56  -7.254   4.673   3.611
  521    HB3  TRP  56           HB3      TRP  56  -8.976   4.927   3.395
  522    HD1  TRP  56           HD1      TRP  56  -6.142   2.584   2.448
  523    HE1  TRP  56           HE1      TRP  56  -7.061   0.589   1.133
  524    HE3  TRP  56           HE3      TRP  56 -10.937   4.257   1.712
  525    HZ2  TRP  56           HZ2      TRP  56  -9.557  -0.185  -0.026
  526    HZ3  TRP  56           HZ3      TRP  56 -12.497   2.831   0.487
  527    HH2  TRP  56           HH2      TRP  56 -11.832   0.663  -0.348
  528    H    GLY  57           H        GLY  57  -9.552   7.306   1.011
  529    HA2  GLY  57           HA2      GLY  57 -10.668   9.199   1.514
  530    HA3  GLY  57           HA3      GLY  57 -10.169   9.001   3.165
  531    H    LYS  58           H        LYS  58  -8.364  10.246   3.921
  532    HA   LYS  58           HA       LYS  58  -7.817  12.564   2.281
  533    HB2  LYS  58           HB2      LYS  58  -6.341  13.141   4.393
  534    HB3  LYS  58           HB3      LYS  58  -8.087  13.321   4.413
  535    HG2  LYS  58           HG2      LYS  58  -7.552  12.286   6.437
  536    HG3  LYS  58           HG3      LYS  58  -8.161  10.985   5.414
  537    HD2  LYS  58           HD2      LYS  58  -5.540  10.863   4.816
  538    HD3  LYS  58           HD3      LYS  58  -5.449  11.458   6.475
  539    HE2  LYS  58           HE2      LYS  58  -7.162   9.112   5.745
  540    HE3  LYS  58           HE3      LYS  58  -5.442   8.925   6.079
  541    HZ1  LYS  58           HZ1      LYS  58  -6.732   8.534   8.067
  542    HZ2  LYS  58           HZ2      LYS  58  -7.481  10.044   7.930
  543    HZ3  LYS  58           HZ3      LYS  58  -5.825   9.950   8.260
  544    H    HIS  59           H        HIS  59  -6.117   9.647   3.114
  545    HA   HIS  59           HA       HIS  59  -3.505  10.536   2.449
  546    HB2  HIS  59           HB2      HIS  59  -4.817   7.850   2.768
  547    HB3  HIS  59           HB3      HIS  59  -3.205   7.975   2.080
  548    HD2  HIS  59           HD2      HIS  59  -4.488   7.143   5.385
  549    HE1  HIS  59           HE1      HIS  59  -1.078   9.542   6.191
  550    HE2  HIS  59           HE2      HIS  59  -2.765   7.918   7.121
  551    H    ALA  60           H        ALA  60  -6.280   9.610   0.660
  552    HA   ALA  60           HA       ALA  60  -5.208   8.657  -1.709
  553    HB1  ALA  60           HB1      ALA  60  -7.329   8.641  -2.390
  554    HB2  ALA  60           HB2      ALA  60  -7.513  10.376  -2.117
  555    HB3  ALA  60           HB3      ALA  60  -7.723   9.247  -0.776
  556    H    GLY  61           H        GLY  61  -3.979   9.531  -3.236
  557    HA2  GLY  61           HA2      GLY  61  -2.861  11.077  -4.487
  558    HA3  GLY  61           HA3      GLY  61  -4.290  12.037  -4.341
  559    H    SER  62           H        SER  62  -3.102  11.414  -1.282
  560    HA   SER  62           HA       SER  62  -2.221  14.158  -1.023
  561    HB2  SER  62           HB2      SER  62  -3.591  13.425   0.763
  562    HB3  SER  62           HB3      SER  62  -2.674  11.915   0.947
  563    HG   SER  62           HG       SER  62  -1.206  12.939   2.086
  564    H    ILE  63           H        ILE  63  -0.768  11.101  -1.504
  565    HA   ILE  63           HA       ILE  63   1.734  11.690  -0.244
  566    HB   ILE  63           HB       ILE  63   2.569   9.711  -1.645
  567   HG12  ILE  63          HG12      ILE  63   0.016   8.545  -2.071
  568   HG13  ILE  63          HG13      ILE  63  -0.014  10.129  -2.834
  569   HG21  ILE  63          HG21      ILE  63   1.504   8.115  -0.158
  570   HG22  ILE  63          HG22      ILE  63   0.206   9.254   0.203
  571   HG23  ILE  63          HG23      ILE  63   1.853   9.600   0.729
  572   HD11  ILE  63          HD11      ILE  63   0.705   8.497  -4.430
  573   HD12  ILE  63          HD12      ILE  63   1.963   7.920  -3.337
  574   HD13  ILE  63          HD13      ILE  63   2.069   9.540  -4.027
  575    H    LYS  64           H        LYS  64   3.793  11.446  -1.617
  576    HA   LYS  64           HA       LYS  64   3.627  13.433  -3.764
  577    HB2  LYS  64           HB2      LYS  64   5.570  12.832  -1.638
  578    HB3  LYS  64           HB3      LYS  64   6.283  13.177  -3.208
  579    HG2  LYS  64           HG2      LYS  64   4.909  15.277  -3.258
  580    HG3  LYS  64           HG3      LYS  64   4.487  14.948  -1.577
  581    HD2  LYS  64           HD2      LYS  64   7.124  14.721  -1.358
  582    HD3  LYS  64           HD3      LYS  64   7.080  15.789  -2.763
  583    HE2  LYS  64           HE2      LYS  64   5.889  17.455  -1.570
  584    HE3  LYS  64           HE3      LYS  64   5.552  16.355  -0.233
  585    HZ1  LYS  64           HZ1      LYS  64   7.317  17.908   0.317
  586    HZ2  LYS  64           HZ2      LYS  64   8.237  17.370  -0.995
  587    HZ3  LYS  64           HZ3      LYS  64   7.909  16.323   0.292
  588    H    GLU  65           H        GLU  65   5.830  13.087  -5.145
  589    HA   GLU  65           HA       GLU  65   5.457  10.579  -6.537
  590    HB2  GLU  65           HB2      GLU  65   6.329  13.248  -7.219
  591    HB3  GLU  65           HB3      GLU  65   7.536  12.073  -7.717
  592    HG2  GLU  65           HG2      GLU  65   6.067  10.990  -9.172
  593    HG3  GLU  65           HG3      GLU  65   4.666  11.692  -8.352
  594    H    GLY  66           H        GLY  66   7.905   9.990  -7.549
  595    HA2  GLY  66           HA2      GLY  66   9.047   8.307  -5.769
  596    HA3  GLY  66           HA3      GLY  66   9.965   9.079  -7.040
  597    H    GLN  67           H        GLN  67   9.010   9.222  -3.691
  598    HA   GLN  67           HA       GLN  67  11.438  10.692  -2.989
  599    HB2  GLN  67           HB2      GLN  67  10.203  12.101  -1.424
  600    HB3  GLN  67           HB3      GLN  67   9.592  12.356  -3.052
  601    HG2  GLN  67           HG2      GLN  67   7.578  12.087  -2.186
  602    HG3  GLN  67           HG3      GLN  67   7.964  10.370  -2.125
  603   HE21  GLN  67          HE21      GLN  67   8.726   9.491  -0.166
  604   HE22  GLN  67          HE22      GLN  67   8.370  10.247   1.347
  605    H    VAL  68           H        VAL  68  11.912  10.376  -0.566
  606    HA   VAL  68           HA       VAL  68  11.478   7.624   0.033
  607    HB   VAL  68           HB       VAL  68  12.873   9.585   1.827
  608   HG11  VAL  68          HG11      VAL  68  12.860   6.686   1.342
  609   HG12  VAL  68          HG12      VAL  68  12.646   7.544   2.862
  610   HG13  VAL  68          HG13      VAL  68  14.250   7.420   2.139
  611   HG21  VAL  68          HG21      VAL  68  14.932   9.074   0.661
  612   HG22  VAL  68          HG22      VAL  68  13.762   9.888  -0.393
  613   HG23  VAL  68          HG23      VAL  68  13.986   8.114  -0.500
  614    H    VAL  69           H        VAL  69   9.719   6.983   1.047
  615    HA   VAL  69           HA       VAL  69   8.544   8.739   3.102
  616    HB   VAL  69           HB       VAL  69   6.581   6.874   2.399
  617   HG11  VAL  69          HG11      VAL  69   5.301   8.779   1.744
  618   HG12  VAL  69          HG12      VAL  69   6.759   9.739   1.494
  619   HG13  VAL  69          HG13      VAL  69   6.306   9.228   3.122
  620   HG21  VAL  69          HG21      VAL  69   8.287   7.382   0.136
  621   HG22  VAL  69          HG22      VAL  69   6.659   7.990  -0.161
  622   HG23  VAL  69          HG23      VAL  69   6.903   6.299   0.275
  623    H    LYS  70           H        LYS  70   7.021   7.288   4.556
  624    HA   LYS  70           HA       LYS  70   8.321   4.746   5.173
  625    HB2  LYS  70           HB2      LYS  70   9.324   6.634   6.558
  626    HB3  LYS  70           HB3      LYS  70   7.751   6.778   7.329
  627    HG2  LYS  70           HG2      LYS  70   8.349   4.075   7.491
  628    HG3  LYS  70           HG3      LYS  70   9.880   4.890   7.816
  629    HD2  LYS  70           HD2      LYS  70   8.628   6.330   9.466
  630    HD3  LYS  70           HD3      LYS  70   7.255   5.240   9.254
  631    HE2  LYS  70           HE2      LYS  70   8.674   3.356   9.960
  632    HE3  LYS  70           HE3      LYS  70  10.010   4.477  10.223
  633    HZ1  LYS  70           HZ1      LYS  70   8.867   3.969  12.286
  634    HZ2  LYS  70           HZ2      LYS  70   7.403   4.528  11.648
  635    HZ3  LYS  70           HZ3      LYS  70   8.681   5.607  11.899
  636    H    ILE  71           H        ILE  71   6.674   3.383   4.927
  637    HA   ILE  71           HA       ILE  71   3.963   4.129   5.504
  638    HB   ILE  71           HB       ILE  71   5.089   1.399   4.878
  639   HG12  ILE  71          HG12      ILE  71   5.419   3.297   3.176
  640   HG13  ILE  71          HG13      ILE  71   4.664   1.809   2.602
  641   HG21  ILE  71          HG21      ILE  71   2.303   2.471   5.109
  642   HG22  ILE  71          HG22      ILE  71   2.994   1.010   5.816
  643   HG23  ILE  71          HG23      ILE  71   2.656   1.080   4.086
  644   HD11  ILE  71          HD11      ILE  71   3.651   3.987   1.815
  645   HD12  ILE  71          HD12      ILE  71   3.103   4.234   3.474
  646   HD13  ILE  71          HD13      ILE  71   2.525   2.847   2.552
  647    H    GLU  72           H        GLU  72   2.637   3.392   7.221
  648    HA   GLU  72           HA       GLU  72   4.102   2.225   9.424
  649    HB2  GLU  72           HB2      GLU  72   2.980   4.674   9.392
  650    HB3  GLU  72           HB3      GLU  72   1.647   3.764   9.998
  651    HG2  GLU  72           HG2      GLU  72   4.115   3.079  11.321
  652    HG3  GLU  72           HG3      GLU  72   3.775   4.804  11.437
  653    H    ASN  73           H        ASN  73   2.296   1.557  11.004
  654    HA   ASN  73           HA       ASN  73   1.253  -0.874  10.277
  655    HB2  ASN  73           HB2      ASN  73   1.363   0.617  12.542
  656    HB3  ASN  73           HB3      ASN  73  -0.322   0.659  12.134
  657   HD21  ASN  73          HD21      ASN  73  -1.525  -1.013  12.902
  658   HD22  ASN  73          HD22      ASN  73  -0.922  -2.535  13.434
  659    H    ALA  74           H        ALA  74   0.111  -1.026   8.443
  660    HA   ALA  74           HA       ALA  74  -2.538   0.273   8.433
  661    HB1  ALA  74           HB1      ALA  74  -1.316   1.215   6.640
  662    HB2  ALA  74           HB2      ALA  74  -2.387   0.008   5.923
  663    HB3  ALA  74           HB3      ALA  74  -0.675  -0.355   6.158
  664    H    TRP  75           H        TRP  75  -1.719  -1.984   5.997
  665    HA   TRP  75           HA       TRP  75  -2.221  -4.451   7.175
  666    HB2  TRP  75           HB2      TRP  75  -4.570  -4.833   6.433
  667    HB3  TRP  75           HB3      TRP  75  -4.410  -3.717   7.781
  668    HD1  TRP  75           HD1      TRP  75  -5.200  -3.691   3.995
  669    HE1  TRP  75           HE1      TRP  75  -6.551  -1.582   3.509
  670    HE3  TRP  75           HE3      TRP  75  -4.923  -1.406   8.536
  671    HZ2  TRP  75           HZ2      TRP  75  -7.371   0.681   4.793
  672    HZ3  TRP  75           HZ3      TRP  75  -6.031   0.773   8.817
  673    HH2  TRP  75           HH2      TRP  75  -7.248   1.815   6.957
  674    H    THR  76           H        THR  76  -3.082  -6.041   5.575
  675    HA   THR  76           HA       THR  76  -2.339  -5.319   2.844
  676    HB   THR  76           HB       THR  76  -1.295  -7.669   2.720
  677    HG1  THR  76           HG1      THR  76  -0.294  -8.137   4.876
  678   HG21  THR  76          HG21      THR  76   0.894  -6.778   3.650
  679   HG22  THR  76          HG22      THR  76  -0.007  -5.325   4.092
  680   HG23  THR  76          HG23      THR  76   0.108  -5.811   2.399
  681    H    THR  77           H        THR  77  -3.630  -6.148   1.360
  682    HA   THR  77           HA       THR  77  -5.457  -8.312   2.133
  683    HB   THR  77           HB       THR  77  -7.359  -7.235   1.295
  684    HG1  THR  77           HG1      THR  77  -5.916  -6.398  -0.592
  685   HG21  THR  77          HG21      THR  77  -6.513  -6.140   3.389
  686   HG22  THR  77          HG22      THR  77  -7.513  -5.084   2.394
  687   HG23  THR  77          HG23      THR  77  -5.760  -4.902   2.384
  688    H    ALA  78           H        ALA  78  -5.542  -9.928   0.647
  689    HA   ALA  78           HA       ALA  78  -3.853  -9.628  -1.693
  690    HB1  ALA  78           HB1      ALA  78  -3.610 -11.610  -0.286
  691    HB2  ALA  78           HB2      ALA  78  -4.058 -12.035  -1.939
  692    HB3  ALA  78           HB3      ALA  78  -5.269 -12.075  -0.657
  693    H    PHE  79           H        PHE  79  -4.792  -8.653  -3.380
  694    HA   PHE  79           HA       PHE  79  -7.500  -9.321  -4.120
  695    HB2  PHE  79           HB2      PHE  79  -6.441  -6.930  -3.999
  696    HB3  PHE  79           HB3      PHE  79  -5.769  -7.363  -5.585
  697    HD1  PHE  79           HD1      PHE  79  -8.890  -7.106  -3.669
  698    HD2  PHE  79           HD2      PHE  79  -7.092  -7.280  -7.503
  699    HE1  PHE  79           HE1      PHE  79 -11.036  -6.625  -4.692
  700    HE2  PHE  79           HE2      PHE  79  -9.238  -6.769  -8.534
  701    HZ   PHE  79           HZ       PHE  79 -11.240  -6.444  -7.136
  702    H    LYS  80           H        LYS  80  -7.867 -10.825  -5.589
  703    HA   LYS  80           HA       LYS  80  -7.670 -12.232  -7.352
  704    HB2  LYS  80           HB2      LYS  80  -5.622 -10.259  -8.372
  705    HB3  LYS  80           HB3      LYS  80  -6.477 -11.464  -9.328
  706    HG2  LYS  80           HG2      LYS  80  -7.884  -9.278  -7.834
  707    HG3  LYS  80           HG3      LYS  80  -7.285  -9.076  -9.474
  708    HD2  LYS  80           HD2      LYS  80  -8.683 -10.978 -10.190
  709    HD3  LYS  80           HD3      LYS  80  -9.315 -11.099  -8.545
  710    HE2  LYS  80           HE2      LYS  80 -10.107  -8.758  -8.730
  711    HE3  LYS  80           HE3      LYS  80  -9.577  -8.746 -10.409
  712    HZ1  LYS  80           HZ1      LYS  80 -11.931  -9.202 -10.266
  713    HZ2  LYS  80           HZ2      LYS  80 -11.653 -10.533  -9.260
  714    HZ3  LYS  80           HZ3      LYS  80 -11.122 -10.562 -10.867
  715    H    GLY  81           H        GLY  81  -5.658 -12.286  -4.994
  716    HA2  GLY  81           HA2      GLY  81  -4.393 -14.266  -4.530
  717    HA3  GLY  81           HA3      GLY  81  -3.984 -14.367  -6.233
  718    H    GLN  82           H        GLN  82  -3.527 -11.247  -5.834
  719    HA   GLN  82           HA       GLN  82  -0.729 -11.600  -5.009
  720    HB2  GLN  82           HB2      GLN  82  -1.123  -8.982  -5.993
  721    HB3  GLN  82           HB3      GLN  82  -0.204 -10.283  -6.734
  722    HG2  GLN  82           HG2      GLN  82  -1.688 -10.497  -8.368
  723    HG3  GLN  82           HG3      GLN  82  -3.032 -10.580  -7.233
  724   HE21  GLN  82          HE21      GLN  82  -2.531  -8.001  -6.051
  725   HE22  GLN  82          HE22      GLN  82  -3.003  -6.814  -7.213
  726    H    VAL  83           H        VAL  83   0.120 -10.463  -3.308
  727    HA   VAL  83           HA       VAL  83  -1.730  -9.440  -1.401
  728    HB   VAL  83           HB       VAL  83   1.245  -8.967  -1.265
  729   HG11  VAL  83          HG11      VAL  83   0.431  -9.620   1.225
  730   HG12  VAL  83          HG12      VAL  83  -1.015  -8.834   0.589
  731   HG13  VAL  83          HG13      VAL  83   0.521  -7.973   0.602
  732   HG21  VAL  83          HG21      VAL  83   0.932 -11.315  -1.845
  733   HG22  VAL  83          HG22      VAL  83  -0.198 -11.500  -0.505
  734   HG23  VAL  83          HG23      VAL  83   1.498 -11.142  -0.184
  735    H    GLN  84           H        GLN  84  -1.787  -7.264  -0.534
  736    HA   GLN  84           HA       GLN  84  -0.650  -5.177  -2.226
  737    HB2  GLN  84           HB2      GLN  84  -3.122  -5.971  -2.859
  738    HB3  GLN  84           HB3      GLN  84  -3.534  -4.860  -1.560
  739    HG2  GLN  84           HG2      GLN  84  -2.511  -3.035  -2.697
  740    HG3  GLN  84           HG3      GLN  84  -1.827  -4.110  -3.916
  741   HE21  GLN  84          HE21      GLN  84  -4.694  -2.538  -2.753
  742   HE22  GLN  84          HE22      GLN  84  -5.677  -2.839  -4.170
  743    H    LEU  85           H        LEU  85  -0.895  -3.017  -1.246
  744    HA   LEU  85           HA       LEU  85  -1.153  -3.180   1.687
  745    HB2  LEU  85           HB2      LEU  85   1.161  -2.815   0.314
  746    HB3  LEU  85           HB3      LEU  85   0.674  -1.158   0.595
  747    HG   LEU  85           HG       LEU  85   0.412  -2.603   3.046
  748   HD11  LEU  85          HD11      LEU  85   2.785  -3.193   3.385
  749   HD12  LEU  85          HD12      LEU  85   3.080  -2.896   1.671
  750   HD13  LEU  85          HD13      LEU  85   2.000  -4.199   2.166
  751   HD21  LEU  85          HD21      LEU  85   2.089  -0.926   3.772
  752   HD22  LEU  85          HD22      LEU  85   0.723  -0.223   2.907
  753   HD23  LEU  85          HD23      LEU  85   2.270  -0.432   2.087
  754    H    ASN  86           H        ASN  86  -1.941  -1.320   2.756
  755    HA   ASN  86           HA       ASN  86  -3.063   0.821   1.039
  756    HB2  ASN  86           HB2      ASN  86  -4.538  -0.538   3.298
  757    HB3  ASN  86           HB3      ASN  86  -5.158   0.724   2.261
  758   HD21  ASN  86          HD21      ASN  86  -3.946  -2.518   2.308
  759   HD22  ASN  86          HD22      ASN  86  -4.826  -3.080   0.937
  760    H    ALA  87           H        ALA  87  -3.874   2.668   2.413
  761    HA   ALA  87           HA       ALA  87  -2.598   2.685   5.042
  762    HB1  ALA  87           HB1      ALA  87  -2.279   4.980   3.114
  763    HB2  ALA  87           HB2      ALA  87  -1.046   3.755   3.411
  764    HB3  ALA  87           HB3      ALA  87  -1.559   4.824   4.716
  765    H    GLY  88           H        GLY  88  -4.111   3.106   6.445
  766    HA2  GLY  88           HA2      GLY  88  -6.223   5.017   5.749
  767    HA3  GLY  88           HA3      GLY  88  -6.444   3.673   6.778
  768    H    SER  89           H        SER  89  -6.798   4.256   8.792
  769    HA   SER  89           HA       SER  89  -5.896   6.807   9.715
  770    HB2  SER  89           HB2      SER  89  -7.515   4.645  11.068
  771    HB3  SER  89           HB3      SER  89  -7.133   6.195  11.821
  772    HG   SER  89           HG       SER  89  -9.082   5.619  10.098
  773    H    LYS  90           H        LYS  90  -5.315   3.462  11.069
  774    HA   LYS  90           HA       LYS  90  -3.454   4.492  12.977
  775    HB2  LYS  90           HB2      LYS  90  -2.792   2.201  13.475
  776    HB3  LYS  90           HB3      LYS  90  -4.530   2.326  13.440
  777    HG2  LYS  90           HG2      LYS  90  -3.174   1.441  10.965
  778    HG3  LYS  90           HG3      LYS  90  -3.224   0.335  12.329
  779    HD2  LYS  90           HD2      LYS  90  -5.805   1.418  12.121
  780    HD3  LYS  90           HD3      LYS  90  -5.303   1.008  10.482
  781    HE2  LYS  90           HE2      LYS  90  -5.112  -1.230  10.948
  782    HE3  LYS  90           HE3      LYS  90  -4.800  -0.954  12.660
  783    HZ1  LYS  90           HZ1      LYS  90  -7.098  -0.451  13.011
  784    HZ2  LYS  90           HZ2      LYS  90  -6.999  -1.935  12.201
  785    HZ3  LYS  90           HZ3      LYS  90  -7.432  -0.538  11.353
  786    H    THR  91           H        THR  91  -3.198   4.455   9.804
  787    HA   THR  91           HA       THR  91  -0.344   3.770   9.701
  788    HB   THR  91           HB       THR  91  -2.026   4.599   7.340
  789    HG1  THR  91           HG1      THR  91  -2.033   2.079   8.651
  790   HG21  THR  91          HG21      THR  91   0.278   2.672   7.648
  791   HG22  THR  91          HG22      THR  91   0.377   4.316   7.017
  792   HG23  THR  91          HG23      THR  91  -0.525   3.086   6.133
  793    H    LYS  92           H        LYS  92   1.038   5.473   9.863
  794    HA   LYS  92           HA       LYS  92   0.084   8.139   9.040
  795    HB2  LYS  92           HB2      LYS  92   1.539   7.219  11.404
  796    HB3  LYS  92           HB3      LYS  92   2.339   8.558  10.594
  797    HG2  LYS  92           HG2      LYS  92   0.922   9.481  12.250
  798    HG3  LYS  92           HG3      LYS  92   0.170   9.801  10.687
  799    HD2  LYS  92           HD2      LYS  92  -1.302   7.844  11.031
  800    HD3  LYS  92           HD3      LYS  92  -0.583   7.613  12.627
  801    HE2  LYS  92           HE2      LYS  92  -1.345   9.863  13.272
  802    HE3  LYS  92           HE3      LYS  92  -2.105  10.043  11.690
  803    HZ1  LYS  92           HZ1      LYS  92  -3.724   9.377  13.328
  804    HZ2  LYS  92           HZ2      LYS  92  -2.806   8.020  13.748
  805    HZ3  LYS  92           HZ3      LYS  92  -3.506   8.123  12.212
  806    H    ILE  93           H        ILE  93   0.884   8.607   7.060
  807    HA   ILE  93           HA       ILE  93   3.483   7.492   6.318
  808    HB   ILE  93           HB       ILE  93   1.798   9.180   4.497
  809   HG12  ILE  93          HG12      ILE  93   1.455   6.200   4.941
  810   HG13  ILE  93          HG13      ILE  93   0.330   7.435   5.488
  811   HG21  ILE  93          HG21      ILE  93   4.067   8.599   3.800
  812   HG22  ILE  93          HG22      ILE  93   2.860   7.826   2.766
  813   HG23  ILE  93          HG23      ILE  93   3.693   6.884   4.003
  814   HD11  ILE  93          HD11      ILE  93   0.977   6.658   2.665
  815   HD12  ILE  93          HD12      ILE  93   0.084   8.119   3.087
  816   HD13  ILE  93          HD13      ILE  93  -0.564   6.535   3.514
  817    H    ALA  94           H        ALA  94   5.268   8.686   5.824
  818    HA   ALA  94           HA       ALA  94   5.267  11.578   5.566
  819    HB1  ALA  94           HB1      ALA  94   6.616  12.022   7.491
  820    HB2  ALA  94           HB2      ALA  94   6.358  10.368   8.118
  821    HB3  ALA  94           HB3      ALA  94   4.994  11.494   7.995
  822    H    GLU  95           H        GLU  95   7.219  12.465   4.902
  823    HA   GLU  95           HA       GLU  95   8.923  10.769   3.444
  824    HB2  GLU  95           HB2      GLU  95   9.683  13.577   4.235
  825    HB3  GLU  95           HB3      GLU  95   9.914  12.619   2.944
  826    HG2  GLU  95           HG2      GLU  95   8.482  13.708   1.913
  827    HG3  GLU  95           HG3      GLU  95   7.358  12.695   2.645
  828    H    ALA  96           H        ALA  96  10.787   9.909   3.869
  829    HA   ALA  96           HA       ALA  96  11.992  10.348   6.538
  830    HB1  ALA  96           HB1      ALA  96  12.401   8.053   6.869
  831    HB2  ALA  96           HB2      ALA  96  12.030   7.671   5.181
  832    HB3  ALA  96           HB3      ALA  96  10.733   8.142   6.291
  833    H    SER  97           H        SER  97  14.176  10.572   6.604
  834    HA   SER  97           HA       SER  97  15.584  10.441   4.021
  835    HB2  SER  97           HB2      SER  97  17.214  12.023   5.141
  836    HB3  SER  97           HB3      SER  97  15.638  12.660   4.788
  837    HG   SER  97           HG       SER  97  15.816  11.479   7.257
  838    H    GLU  98           H        GLU  98  17.125   8.964   3.783
  839    HA   GLU  98           HA       GLU  98  18.442   7.895   6.188
  840    HB2  GLU  98           HB2      GLU  98  17.419   6.324   3.814
  841    HB3  GLU  98           HB3      GLU  98  18.425   5.644   5.060
  842    HG2  GLU  98           HG2      GLU  98  16.041   6.957   6.050
  843    HG3  GLU  98           HG3      GLU  98  15.793   5.496   5.096
  844    H    ASP  99           H        ASP  99  20.106   6.075   4.623
  845    HA   ASP  99           HA       ASP  99  22.104   7.892   3.806
  846    HB2  ASP  99           HB2      ASP  99  21.911   4.906   4.052
  847    HB3  ASP  99           HB3      ASP  99  23.282   5.642   3.227
  848    H    GLY 100           H        GLY 100  19.499   7.525   2.225
  849    HA2  GLY 100           HA2      GLY 100  19.309   8.060  -0.080
  850    HA3  GLY 100           HA3      GLY 100  20.851   7.279  -0.393
  851    H    PHE 101           H        PHE 101  17.439   6.722   0.259
  852    HA   PHE 101           HA       PHE 101  17.425   3.929   0.012
  853    HB2  PHE 101           HB2      PHE 101  15.526   5.936   0.427
  854    HB3  PHE 101           HB3      PHE 101  15.024   5.155  -1.068
  855    HD1  PHE 101           HD2      PHE 101  16.151   4.271   2.381
  856    HD2  PHE 101           HD1      PHE 101  13.659   3.315  -0.930
  857    HE1  PHE 101           HE2      PHE 101  15.160   2.435   3.667
  858    HE2  PHE 101           HE1      PHE 101  12.639   1.513   0.315
  859    HZ   PHE 101           HZ       PHE 101  13.403   1.037   2.661
  860    HA   PRO 102           HA       PRO 102  18.259   2.999  -4.224
  861    HB2  PRO 102           HB2      PRO 102  15.825   1.279  -4.074
  862    HB3  PRO 102           HB3      PRO 102  17.462   0.871  -4.614
  863    HG2  PRO 102           HG2      PRO 102  16.613   0.065  -2.240
  864    HG3  PRO 102           HG3      PRO 102  18.277   0.641  -2.461
  865    HD2  PRO 102           HD2      PRO 102  15.954   2.014  -1.194
  866    HD3  PRO 102           HD3      PRO 102  17.684   2.074  -0.768
  867    H    GLU 103           H        GLU 103  17.649   3.701  -6.221
  868    HA   GLU 103           HA       GLU 103  15.473   5.547  -6.380
  869    HB2  GLU 103           HB2      GLU 103  17.803   5.455  -7.648
  870    HB3  GLU 103           HB3      GLU 103  16.857   4.564  -8.832
  871    HG2  GLU 103           HG2      GLU 103  15.410   6.398  -9.195
  872    HG3  GLU 103           HG3      GLU 103  16.043   7.262  -7.796
  873    H    SER 104           H        SER 104  13.804   5.465  -8.065
  874    HA   SER 104           HA       SER 104  12.299   3.086  -7.919
  875    HB2  SER 104           HB2      SER 104  11.863   5.222  -9.998
  876    HB3  SER 104           HB3      SER 104  10.662   4.207  -9.200
  877    HG   SER 104           HG       SER 104  12.209   6.253  -7.984
  878    H    SER 105           H        SER 105  14.650   4.239 -10.197
  879    HA   SER 105           HA       SER 105  13.914   2.362 -12.263
  880    HB2  SER 105           HB2      SER 105  15.514   4.706 -12.103
  881    HB3  SER 105           HB3      SER 105  16.553   3.393 -12.655
  882    HG   SER 105           HG       SER 105  15.411   3.220 -14.452
  883    H    GLN 106           H        GLN 106  15.468   2.071  -9.363
  884    HA   GLN 106           HA       GLN 106  16.993  -0.268 -10.304
  885    HB2  GLN 106           HB2      GLN 106  17.717   1.445  -7.936
  886    HB3  GLN 106           HB3      GLN 106  18.655   0.155  -8.610
  887    HG2  GLN 106           HG2      GLN 106  18.699   1.607 -10.751
  888    HG3  GLN 106           HG3      GLN 106  18.156   2.900  -9.682
  889   HE21  GLN 106          HE21      GLN 106  20.486   0.261  -9.258
  890   HE22  GLN 106          HE22      GLN 106  21.821   1.274  -8.843
  891    H    ILE 107           H        ILE 107  14.255   0.450  -8.928
  892    HA   ILE 107           HA       ILE 107  14.457  -1.293  -6.594
  893    HB   ILE 107           HB       ILE 107  12.444   0.690  -7.556
  894   HG12  ILE 107          HG12      ILE 107  13.284   0.112  -4.728
  895   HG13  ILE 107          HG13      ILE 107  14.331   1.026  -5.809
  896   HG21  ILE 107          HG21      ILE 107  10.751  -0.131  -6.006
  897   HG22  ILE 107          HG22      ILE 107  11.774  -1.520  -5.599
  898   HG23  ILE 107          HG23      ILE 107  11.115  -1.342  -7.234
  899   HD11  ILE 107          HD11      ILE 107  11.567   1.955  -5.696
  900   HD12  ILE 107          HD12      ILE 107  13.091   2.849  -5.692
  901   HD13  ILE 107          HD13      ILE 107  12.484   2.104  -4.194
  902    HA   PRO 108           HA       PRO 108  13.219  -4.844  -9.048
  903    HB2  PRO 108           HB2      PRO 108  12.381  -5.795  -6.351
  904    HB3  PRO 108           HB3      PRO 108  13.378  -6.603  -7.569
  905    HG2  PRO 108           HG2      PRO 108  14.511  -5.554  -5.421
  906    HG3  PRO 108           HG3      PRO 108  15.284  -5.415  -7.013
  907    HD2  PRO 108           HD2      PRO 108  13.789  -3.355  -5.457
  908    HD3  PRO 108           HD3      PRO 108  15.223  -3.175  -6.490
  909    H    GLU 109           H        GLU 109  11.247  -6.106  -9.381
  910    HA   GLU 109           HA       GLU 109   8.825  -4.609  -8.615
  911    HB2  GLU 109           HB2      GLU 109   7.887  -5.446 -10.832
  912    HB3  GLU 109           HB3      GLU 109   9.112  -4.189 -10.927
  913    HG2  GLU 109           HG2      GLU 109  10.775  -5.740 -11.596
  914    HG3  GLU 109           HG3      GLU 109   9.731  -7.113 -11.233
  915    H    ASN 110           H        ASN 110  10.353  -7.231  -7.792
  916    HA   ASN 110           HA       ASN 110   8.753  -9.443  -8.278
  917    HB2  ASN 110           HB2      ASN 110  11.030  -9.087  -6.919
  918    HB3  ASN 110           HB3      ASN 110   9.919  -9.166  -5.555
  919   HD21  ASN 110          HD21      ASN 110  11.752 -10.928  -7.725
  920   HD22  ASN 110          HD22      ASN 110  11.084 -12.492  -7.420
  921    H    THR 111           H        THR 111   6.735  -9.931  -7.763
  922    HA   THR 111           HA       THR 111   5.284  -8.269  -5.876
  923    HB   THR 111           HB       THR 111   3.615 -10.342  -6.868
  924    HG1  THR 111           HG1      THR 111   5.385  -9.232  -8.794
  925   HG21  THR 111          HG21      THR 111   2.978  -8.001  -6.333
  926   HG22  THR 111          HG22      THR 111   2.432  -8.513  -7.930
  927   HG23  THR 111          HG23      THR 111   3.843  -7.469  -7.774
  928    HA   PRO 112           HA       PRO 112   6.140 -11.280  -2.622
  929    HB2  PRO 112           HB2      PRO 112   4.076  -9.650  -1.247
  930    HB3  PRO 112           HB3      PRO 112   5.695 -10.119  -0.706
  931    HG2  PRO 112           HG2      PRO 112   5.239  -7.633  -1.496
  932    HG3  PRO 112           HG3      PRO 112   6.749  -8.462  -1.933
  933    HD2  PRO 112           HD2      PRO 112   4.335  -7.946  -3.616
  934    HD3  PRO 112           HD3      PRO 112   6.057  -7.855  -4.046
  935    H    THR 113           H        THR 113   5.140 -13.160  -2.088
  936    HA   THR 113           HA       THR 113   2.248 -13.388  -2.130
  937    HB   THR 113           HB       THR 113   3.382 -15.588  -3.661
  938    HG1  THR 113           HG1      THR 113   3.549 -14.165  -5.596
  939   HG21  THR 113          HG21      THR 113   0.983 -15.133  -3.437
  940   HG22  THR 113          HG22      THR 113   1.486 -15.098  -5.127
  941   HG23  THR 113          HG23      THR 113   1.198 -13.589  -4.260
  942    H    ALA 114           H        ALA 114   1.647 -14.622  -0.477
  943    HA   ALA 114           HA       ALA 114   3.505 -15.951   1.183
  944    HB1  ALA 114           HB1      ALA 114   1.559 -16.731   2.429
  945    HB2  ALA 114           HB2      ALA 114   0.502 -16.227   1.111
  946    HB3  ALA 114           HB3      ALA 114   1.405 -15.021   2.025
  947    H    ARG 115           H        ARG 115   3.333 -18.271   1.815
  948    HA   ARG 115           HA       ARG 115   3.426 -19.911  -0.576
  949    HB2  ARG 115           HB2      ARG 115   4.258 -21.671   1.024
  950    HB3  ARG 115           HB3      ARG 115   5.252 -20.224   0.923
  951    HG2  ARG 115           HG2      ARG 115   4.130 -19.392   2.986
  952    HG3  ARG 115           HG3      ARG 115   3.320 -20.955   3.111
  953    HD2  ARG 115           HD2      ARG 115   5.354 -20.790   4.513
  954    HD3  ARG 115           HD3      ARG 115   5.429 -22.088   3.322
  955    HE   ARG 115           HE       ARG 115   6.729 -19.487   2.849
  956   HH11  ARG 115          HH11      ARG 115   6.841 -22.967   3.034
  957   HH12  ARG 115          HH12      ARG 115   8.447 -23.078   2.397
  958   HH21  ARG 115          HH21      ARG 115   8.843 -19.625   2.007
  959   HH22  ARG 115          HH22      ARG 115   9.586 -21.179   1.813
  960    H    ARG 116           H        ARG 116   2.100 -21.605  -1.051
  961    HA   ARG 116           HA       ARG 116  -0.282 -21.910   0.656
  962    HB2  ARG 116           HB2      ARG 116   0.073 -22.077  -2.328
  963    HB3  ARG 116           HB3      ARG 116  -1.319 -22.794  -1.530
  964    HG2  ARG 116           HG2      ARG 116  -1.853 -20.568  -0.577
  965    HG3  ARG 116           HG3      ARG 116  -0.531 -19.890  -1.531
  966    HD2  ARG 116           HD2      ARG 116  -2.324 -21.523  -3.126
  967    HD3  ARG 116           HD3      ARG 116  -3.162 -20.188  -2.337
  968    HE   ARG 116           HE       ARG 116  -1.304 -20.019  -4.501
  969   HH11  ARG 116          HH11      ARG 116  -2.564 -18.322  -1.731
  970   HH12  ARG 116          HH12      ARG 116  -2.196 -16.752  -2.362
  971   HH21  ARG 116          HH21      ARG 116  -0.815 -17.955  -5.341
  972   HH22  ARG 116          HH22      ARG 116  -1.202 -16.543  -4.415
  973    H    ARG 117           H        ARG 117  -1.136 -23.992   0.988
  974    HA   ARG 117           HA       ARG 117   0.857 -26.066   1.072
  975    HB2  ARG 117           HB2      ARG 117  -2.064 -26.359   1.760
  976    HB3  ARG 117           HB3      ARG 117  -0.712 -27.312   2.355
  977    HG2  ARG 117           HG2      ARG 117   0.117 -25.396   3.598
  978    HG3  ARG 117           HG3      ARG 117  -1.200 -24.405   2.969
  979    HD2  ARG 117           HD2      ARG 117  -1.900 -26.939   4.352
  980    HD3  ARG 117           HD3      ARG 117  -1.335 -25.590   5.338
  981    HE   ARG 117           HE       ARG 117  -3.296 -24.617   3.616
  982   HH11  ARG 117          HH11      ARG 117  -3.026 -26.855   6.276
  983   HH12  ARG 117          HH12      ARG 117  -4.653 -26.609   6.816
  984   HH21  ARG 117          HH21      ARG 117  -5.438 -24.287   4.321
  985   HH22  ARG 117          HH22      ARG 117  -6.025 -25.150   5.705
  Start of MODEL    5
    1    H5'   DT   1           H5'       DT   1 -15.658   2.403  11.238
    2   H5''   DT   1          H5''       DT   1 -14.702   3.179   9.960
    3    H4'   DT   1           H4'       DT   1 -16.923   1.492   9.690
    4    H3'   DT   1           H3'       DT   1 -15.205   3.018   7.772
    5    H2'   DT   1           H2'       DT   1 -16.825   2.712   6.029
    6   H2''   DT   1          H2''       DT   1 -17.664   1.438   6.903
    7    H1'   DT   1           H1'       DT   1 -19.081   3.187   7.582
    8    H3    DT   1           H3        DT   1 -19.049   7.049   5.288
    9    H71   DT   1           H71       DT   1 -15.089   7.264   8.879
   10    H72   DT   1           H72       DT   1 -14.459   7.437   7.223
   11    H73   DT   1           H73       DT   1 -15.581   8.652   7.880
   12    H6    DT   1           H6        DT   1 -16.067   5.075   8.445
   13   HO5'   DT   1          HO5'       DT   1 -17.046   4.478  10.409
   14    H5'   DT   2           H5'       DT   2 -13.681  -2.411   6.208
   15   H5''   DT   2          H5''       DT   2 -12.704  -1.576   7.434
   16    H4'   DT   2           H4'       DT   2 -12.346  -1.123   4.480
   17    H3'   DT   2           H3'       DT   2 -11.064  -3.285   6.139
   18    H2'   DT   2           H2'       DT   2  -9.074  -2.962   4.800
   19   H2''   DT   2          H2''       DT   2  -9.921  -1.941   3.645
   20    H1'   DT   2           H1'       DT   2  -9.089  -0.237   5.127
   21    H3    DT   2           H3        DT   2  -8.495  -0.354   9.884
   22    H71   DT   2           H71       DT   2  -6.942  -4.770   7.203
   23    H72   DT   2           H72       DT   2  -7.515  -4.919   8.881
   24    H73   DT   2           H73       DT   2  -5.948  -4.150   8.541
   25    H6    DT   2           H6        DT   2  -8.151  -3.153   6.050
   26    H5'   DT   3           H5'       DT   3 -15.717  -3.980   2.361
   27   H5''   DT   3          H5''       DT   3 -14.326  -5.083   2.309
   28    H4'   DT   3           H4'       DT   3 -14.570  -3.163   0.580
   29    H3'   DT   3           H3'       DT   3 -12.254  -4.508   1.541
   30    H2'   DT   3           H2'       DT   3 -11.226  -2.575   2.458
   31   H2''   DT   3          H2''       DT   3 -10.838  -2.267   0.770
   32    H1'   DT   3           H1'       DT   3 -12.888  -0.983   0.435
   33    H3    DT   3           H3        DT   3 -13.657   2.703   3.164
   34    H71   DT   3           H71       DT   3  -9.617   1.245   5.316
   35    H72   DT   3           H72       DT   3  -9.067   2.417   4.095
   36    H73   DT   3           H73       DT   3  -8.719   0.685   3.883
   37    H6    DT   3           H6        DT   3 -10.272  -0.610   2.636
   38    H5'   DT   4           H5'       DT   4 -14.845  -2.734  -3.465
   39   H5''   DT   4          H5''       DT   4 -13.709  -3.329  -4.693
   40    H4'   DT   4           H4'       DT   4 -13.720  -0.846  -3.372
   41    H3'   DT   4           H3'       DT   4 -12.214  -2.103  -5.546
   42    H2'   DT   4           H2'       DT   4 -10.099  -1.450  -4.839
   43   H2''   DT   4          H2''       DT   4 -10.673   0.199  -4.637
   44    H1'   DT   4           H1'       DT   4 -11.050  -0.010  -2.387
   45    H3    DT   4           H3        DT   4  -6.476  -1.520  -2.346
   46    H71   DT   4           H71       DT   4  -8.116  -5.024   0.158
   47    H72   DT   4           H72       DT   4  -9.066  -3.947   1.210
   48    H73   DT   4           H73       DT   4  -9.882  -4.921  -0.037
   49    H6    DT   4           H6        DT   4 -10.851  -2.924  -1.072
   50    H5'   DT   5           H5'       DT   5 -13.339  -1.844  -8.551
   51   H5''   DT   5          H5''       DT   5 -12.464  -2.985  -7.508
   52    H4'   DT   5           H4'       DT   5 -11.686  -1.876 -10.189
   53    H3'   DT   5           H3'       DT   5 -12.925  -4.194  -9.788
   54    H2'   DT   5           H2'       DT   5 -11.467  -5.198  -8.193
   55   H2''   DT   5          H2''       DT   5 -10.730  -5.793  -9.674
   56    H1'   DT   5           H1'       DT   5  -8.974  -4.232  -9.615
   57    H3    DT   5           H3        DT   5  -6.302  -4.767  -6.092
   58    H71   DT   5           H71       DT   5  -9.753  -4.645  -3.085
   59    H72   DT   5           H72       DT   5 -11.217  -4.700  -4.096
   60    H73   DT   5           H73       DT   5 -10.463  -3.136  -3.707
   61    H6    DT   5           H6        DT   5 -10.985  -4.002  -6.506
   62    H5'   DT   6           H5'       DT   6 -10.151  -5.576 -13.917
   63   H5''   DT   6          H5''       DT   6  -9.621  -7.201 -13.431
   64    H4'   DT   6           H4'       DT   6  -9.182  -4.703 -11.798
   65    H3'   DT   6           H3'       DT   6  -7.478  -5.832 -13.974
   66   HO3'   DT   6          HO3'       DT   6  -8.562  -3.548 -13.293
   67    H2'   DT   6           H2'       DT   6  -5.496  -5.601 -12.632
   68   H2''   DT   6          H2''       DT   6  -6.298  -4.561 -11.462
   69    H1'   DT   6           H1'       DT   6  -6.545  -6.622 -10.308
   70    H3    DT   6           H3        DT   6  -3.999  -9.931 -12.236
   71    H71   DT   6           H71       DT   6  -8.985 -10.036 -14.259
   72    H72   DT   6           H72       DT   6  -8.549 -11.470 -13.300
   73    H73   DT   6           H73       DT   6  -7.696 -11.125 -14.824
   74    H6    DT   6           H6        DT   6  -8.450  -8.295 -12.747
   75    H1   MET   1           H        MET   1  11.634  -2.553  14.824
   76    H1   MET   1           HT1      MET   1  11.239  -1.477  13.581
   77    H2   MET   1           H2       MET   1  11.788  -3.032  13.210
   78    HA   MET   1           HA       MET   1   9.833  -4.018  14.158
   79    HB2  MET   1           HB2      MET   1   9.099  -1.145  14.740
   80    HB3  MET   1           HB3      MET   1   7.955  -2.478  14.820
   81    HG2  MET   1           HG2      MET   1  10.086  -3.326  16.367
   82    HG3  MET   1           HG3      MET   1   9.932  -1.610  16.742
   83    HE1  MET   1           HE1      MET   1   9.610  -3.337  19.135
   84    HE2  MET   1           HE2      MET   1   9.185  -4.771  18.198
   85    HE3  MET   1           HE3      MET   1   8.073  -4.154  19.422
   86    H    GLU   2           H        GLU   2  10.967  -2.600  11.663
   87    HA   GLU   2           HA       GLU   2   8.439  -2.567  10.152
   88    HB2  GLU   2           HB2      GLU   2   9.878  -1.171   8.486
   89    HB3  GLU   2           HB3      GLU   2   9.194  -0.390   9.904
   90    HG2  GLU   2           HG2      GLU   2  11.782  -1.475  10.516
   91    HG3  GLU   2           HG3      GLU   2  11.867  -0.431   9.098
   92    H    GLU   3           H        GLU   3   8.217  -4.017   8.574
   93    HA   GLU   3           HA       GLU   3  10.504  -5.726   7.952
   94    HB2  GLU   3           HB2      GLU   3   8.974  -7.368   7.255
   95    HB3  GLU   3           HB3      GLU   3   8.235  -6.639   8.674
   96    HG2  GLU   3           HG2      GLU   3   7.063  -5.118   6.883
   97    HG3  GLU   3           HG3      GLU   3   7.430  -6.474   5.818
   98    H    LYS   4           H        LYS   4  10.481  -6.626   5.623
   99    HA   LYS   4           HA       LYS   4  10.529  -4.258   3.815
  100    HB2  LYS   4           HB2      LYS   4  11.785  -5.984   2.349
  101    HB3  LYS   4           HB3      LYS   4  12.606  -5.246   3.717
  102    HG2  LYS   4           HG2      LYS   4  11.190  -7.797   4.202
  103    HG3  LYS   4           HG3      LYS   4  12.669  -7.855   3.242
  104    HD2  LYS   4           HD2      LYS   4  12.800  -6.240   5.707
  105    HD3  LYS   4           HD3      LYS   4  12.612  -7.979   5.941
  106    HE2  LYS   4           HE2      LYS   4  14.537  -7.944   4.047
  107    HE3  LYS   4           HE3      LYS   4  14.895  -6.439   4.891
  108    HZ1  LYS   4           HZ1      LYS   4  14.663  -9.117   6.154
  109    HZ2  LYS   4           HZ2      LYS   4  15.009  -7.674   6.966
  110    HZ3  LYS   4           HZ3      LYS   4  16.108  -8.295   5.840
  111    H    VAL   5           H        VAL   5  10.106  -4.891   1.451
  112    HA   VAL   5           HA       VAL   5   7.382  -5.730   1.270
  113    HB   VAL   5           HB       VAL   5   9.367  -5.158  -0.938
  114   HG11  VAL   5          HG11      VAL   5   7.560  -6.437  -1.832
  115   HG12  VAL   5          HG12      VAL   5   7.312  -4.749  -2.291
  116   HG13  VAL   5          HG13      VAL   5   6.372  -5.453  -0.975
  117   HG21  VAL   5          HG21      VAL   5   7.292  -3.373   0.329
  118   HG22  VAL   5          HG22      VAL   5   8.319  -2.954  -1.041
  119   HG23  VAL   5          HG23      VAL   5   9.038  -3.244   0.543
  120    H    GLY   6           H        GLY   6  10.496  -7.185   0.493
  121    HA2  GLY   6           HA2      GLY   6   9.353  -9.462  -0.834
  122    HA3  GLY   6           HA3      GLY   6  11.034  -9.264  -0.360
  123    H    ASN   7           H        ASN   7   9.165  -8.635   2.304
  124    HA   ASN   7           HA       ASN   7   9.190 -11.447   3.169
  125    HB2  ASN   7           HB2      ASN   7  11.041  -9.807   4.053
  126    HB3  ASN   7           HB3      ASN   7   9.753  -9.248   5.115
  127   HD21  ASN   7          HD21      ASN   7  10.262 -10.036   7.029
  128   HD22  ASN   7          HD22      ASN   7  10.609 -11.661   7.376
  129    H    LEU   8           H        LEU   8   7.268  -8.887   2.524
  130    HA   LEU   8           HA       LEU   8   5.565  -8.930   4.848
  131    HB2  LEU   8           HB2      LEU   8   4.456  -7.193   3.894
  132    HB3  LEU   8           HB3      LEU   8   5.949  -7.072   2.987
  133    HG   LEU   8           HG       LEU   8   4.536  -8.758   1.393
  134   HD11  LEU   8          HD11      LEU   8   2.396  -8.816   2.033
  135   HD12  LEU   8          HD12      LEU   8   2.309  -7.123   1.425
  136   HD13  LEU   8          HD13      LEU   8   2.633  -7.442   3.150
  137   HD21  LEU   8          HD21      LEU   8   5.699  -6.876   0.541
  138   HD22  LEU   8          HD22      LEU   8   4.644  -5.755   1.403
  139   HD23  LEU   8          HD23      LEU   8   4.009  -6.704   0.061
  140    H    LYS   9           H        LYS   9   3.377  -9.737   4.889
  141    HA   LYS   9           HA       LYS   9   2.621 -11.607   2.849
  142    HB2  LYS   9           HB2      LYS   9   2.089 -13.174   4.371
  143    HB3  LYS   9           HB3      LYS   9   3.668 -12.686   4.739
  144    HG2  LYS   9           HG2      LYS   9   3.035 -12.213   6.852
  145    HG3  LYS   9           HG3      LYS   9   1.763 -11.195   6.224
  146    HD2  LYS   9           HD2      LYS   9   0.425 -12.710   7.268
  147    HD3  LYS   9           HD3      LYS   9   0.660 -13.598   5.761
  148    HE2  LYS   9           HE2      LYS   9   1.458 -15.268   6.998
  149    HE3  LYS   9           HE3      LYS   9   2.874 -14.261   7.291
  150    HZ1  LYS   9           HZ1      LYS   9   1.790 -13.383   9.267
  151    HZ2  LYS   9           HZ2      LYS   9   1.929 -15.066   9.356
  152    HZ3  LYS   9           HZ3      LYS   9   0.437 -14.361   8.986
  153    HA   PRO  10           HA       PRO  10  -1.296  -9.595   3.204
  154    HB2  PRO  10           HB2      PRO  10  -2.971 -11.455   2.227
  155    HB3  PRO  10           HB3      PRO  10  -1.812 -10.609   1.229
  156    HG2  PRO  10           HG2      PRO  10  -1.659 -13.354   2.389
  157    HG3  PRO  10           HG3      PRO  10  -1.161 -12.809   0.775
  158    HD2  PRO  10           HD2      PRO  10   0.657 -13.142   2.840
  159    HD3  PRO  10           HD3      PRO  10   0.856 -12.059   1.498
  160    H    ASN  11           H        ASN  11  -3.446  -9.760   4.142
  161    HA   ASN  11           HA       ASN  11  -4.971 -10.275   5.783
  162    HB2  ASN  11           HB2      ASN  11  -3.576 -12.834   5.405
  163    HB3  ASN  11           HB3      ASN  11  -4.316 -12.640   6.992
  164   HD21  ASN  11          HD21      ASN  11  -4.916 -12.610   3.533
  165   HD22  ASN  11          HD22      ASN  11  -6.622 -12.980   3.640
  166    H    MET  12           H        MET  12  -2.343  -8.908   6.348
  167    HA   MET  12           HA       MET  12  -2.152  -9.447   9.185
  168    HB2  MET  12           HB2      MET  12  -0.318  -7.986   7.283
  169    HB3  MET  12           HB3      MET  12  -0.096  -8.101   8.974
  170    HG2  MET  12           HG2      MET  12  -0.374 -10.711   8.345
  171    HG3  MET  12           HG3      MET  12   0.389 -10.036   6.916
  172    HE1  MET  12           HE1      MET  12   2.843  -9.249   6.743
  173    HE2  MET  12           HE2      MET  12   3.808  -8.785   8.157
  174    HE3  MET  12           HE3      MET  12   2.350  -7.889   7.752
  175    H    GLU  13           H        GLU  13  -3.018  -8.066  10.588
  176    HA   GLU  13           HA       GLU  13  -4.225  -5.624   9.620
  177    HB2  GLU  13           HB2      GLU  13  -4.197  -6.211  12.525
  178    HB3  GLU  13           HB3      GLU  13  -5.515  -5.663  11.499
  179    HG2  GLU  13           HG2      GLU  13  -5.273  -8.115  10.523
  180    HG3  GLU  13           HG3      GLU  13  -4.611  -8.413  12.130
  181    H    SER  14           H        SER  14  -1.201  -6.139  10.036
  182    HA   SER  14           HA       SER  14  -0.613  -3.455  10.896
  183    HB2  SER  14           HB2      SER  14   1.144  -4.419  12.572
  184    HB3  SER  14           HB3      SER  14  -0.534  -4.264  13.085
  185    HG   SER  14           HG       SER  14   0.718  -6.620  12.123
  186    H    VAL  15           H        VAL  15   0.767  -2.789   9.391
  187    HA   VAL  15           HA       VAL  15   3.020  -4.515   8.671
  188    HB   VAL  15           HB       VAL  15   1.872  -3.018   6.400
  189   HG11  VAL  15          HG11      VAL  15   2.562  -5.028   5.183
  190   HG12  VAL  15          HG12      VAL  15   2.986  -5.803   6.710
  191   HG13  VAL  15          HG13      VAL  15   3.872  -4.378   6.168
  192   HG21  VAL  15          HG21      VAL  15  -0.022  -4.212   6.042
  193   HG22  VAL  15          HG22      VAL  15  -0.006  -4.308   7.803
  194   HG23  VAL  15          HG23      VAL  15   0.605  -5.654   6.840
  195    H    ASN  16           H        ASN  16   4.730  -3.372   9.228
  196    HA   ASN  16           HA       ASN  16   4.799  -0.478   8.722
  197    HB2  ASN  16           HB2      ASN  16   5.481  -1.977  10.965
  198    HB3  ASN  16           HB3      ASN  16   6.974  -1.383  10.270
  199   HD21  ASN  16          HD21      ASN  16   6.570   1.008   9.426
  200   HD22  ASN  16          HD22      ASN  16   5.946   2.050  10.675
  201    H    VAL  17           H        VAL  17   6.119   0.289   7.154
  202    HA   VAL  17           HA       VAL  17   8.528  -1.137   6.443
  203    HB   VAL  17           HB       VAL  17   7.142  -2.522   5.223
  204   HG11  VAL  17          HG11      VAL  17   5.184  -0.823   5.488
  205   HG12  VAL  17          HG12      VAL  17   5.168  -1.994   4.147
  206   HG13  VAL  17          HG13      VAL  17   5.663  -0.329   3.848
  207   HG21  VAL  17          HG21      VAL  17   8.972  -1.825   3.822
  208   HG22  VAL  17          HG22      VAL  17   8.115  -0.356   3.362
  209   HG23  VAL  17          HG23      VAL  17   7.536  -1.924   2.804
  210    H    THR  18           H        THR  18   9.866  -0.010   4.983
  211    HA   THR  18           HA       THR  18   9.129   2.798   4.508
  212    HB   THR  18           HB       THR  18  12.007   2.166   4.503
  213    HG1  THR  18           HG1      THR  18  12.006   2.221   6.878
  214   HG21  THR  18          HG21      THR  18  10.219   4.387   5.093
  215   HG22  THR  18          HG22      THR  18  11.903   4.405   4.546
  216   HG23  THR  18          HG23      THR  18  11.523   4.230   6.268
  217    H    VAL  19           H        VAL  19   9.253   3.465   2.368
  218    HA   VAL  19           HA       VAL  19  10.755   2.005   0.468
  219    HB   VAL  19           HB       VAL  19   8.862   1.590  -1.067
  220   HG11  VAL  19          HG11      VAL  19   9.616  -0.229   0.205
  221   HG12  VAL  19          HG12      VAL  19   7.815  -0.182   0.052
  222   HG13  VAL  19          HG13      VAL  19   8.653   0.342   1.622
  223   HG21  VAL  19          HG21      VAL  19   7.221   3.140  -0.422
  224   HG22  VAL  19          HG22      VAL  19   7.269   2.618   1.260
  225   HG23  VAL  19          HG23      VAL  19   6.555   1.570   0.033
  226    H    ARG  20           H        ARG  20  10.076   2.953  -1.825
  227    HA   ARG  20           HA       ARG  20   9.883   5.821  -1.530
  228    HB2  ARG  20           HB2      ARG  20  12.084   4.809  -2.296
  229    HB3  ARG  20           HB3      ARG  20  11.298   4.418  -3.791
  230    HG2  ARG  20           HG2      ARG  20  11.997   6.473  -4.465
  231    HG3  ARG  20           HG3      ARG  20  10.743   7.123  -3.406
  232    HD2  ARG  20           HD2      ARG  20  12.314   7.261  -1.575
  233    HD3  ARG  20           HD3      ARG  20  13.565   6.497  -2.550
  234    HE   ARG  20           HE       ARG  20  12.454   9.182  -3.040
  235   HH11  ARG  20          HH11      ARG  20  15.034   6.846  -3.287
  236   HH12  ARG  20          HH12      ARG  20  16.155   7.969  -3.981
  237   HH21  ARG  20          HH21      ARG  20  13.925  10.664  -3.953
  238   HH22  ARG  20          HH22      ARG  20  15.525  10.139  -4.360
  239    H    VAL  21           H        VAL  21   8.756   7.015  -3.194
  240    HA   VAL  21           HA       VAL  21   6.412   5.573  -4.132
  241    HB   VAL  21           HB       VAL  21   7.305   8.426  -4.899
  242   HG11  VAL  21          HG11      VAL  21   4.915   8.777  -5.229
  243   HG12  VAL  21          HG12      VAL  21   4.634   7.070  -4.888
  244   HG13  VAL  21          HG13      VAL  21   5.563   7.544  -6.311
  245   HG21  VAL  21          HG21      VAL  21   5.962   9.200  -3.045
  246   HG22  VAL  21          HG22      VAL  21   7.292   8.188  -2.481
  247   HG23  VAL  21          HG23      VAL  21   5.659   7.531  -2.564
  248    H    LEU  22           H        LEU  22   6.148   4.635  -6.025
  249    HA   LEU  22           HA       LEU  22   8.143   4.982  -8.142
  250    HB2  LEU  22           HB2      LEU  22   6.144   2.746  -7.855
  251    HB3  LEU  22           HB3      LEU  22   7.528   2.801  -8.885
  252    HG   LEU  22           HG       LEU  22   7.532   2.525  -5.911
  253   HD11  LEU  22          HD11      LEU  22   8.665   0.678  -7.994
  254   HD12  LEU  22          HD12      LEU  22   7.038   0.517  -7.339
  255   HD13  LEU  22          HD13      LEU  22   8.433   0.366  -6.274
  256   HD21  LEU  22          HD21      LEU  22   9.954   2.651  -7.698
  257   HD22  LEU  22          HD22      LEU  22   9.898   2.552  -5.940
  258   HD23  LEU  22          HD23      LEU  22   9.359   4.016  -6.749
  259    H    GLU  23           H        GLU  23   4.859   5.341  -7.276
  260    HA   GLU  23           HA       GLU  23   4.301   6.869  -9.692
  261    HB2  GLU  23           HB2      GLU  23   3.941   4.310 -10.179
  262    HB3  GLU  23           HB3      GLU  23   2.448   4.552  -9.282
  263    HG2  GLU  23           HG2      GLU  23   1.545   5.160 -11.217
  264    HG3  GLU  23           HG3      GLU  23   2.465   6.654 -11.060
  265    H    ALA  24           H        ALA  24   1.986   7.688  -9.662
  266    HA   ALA  24           HA       ALA  24   0.555   7.547  -7.184
  267    HB1  ALA  24           HB1      ALA  24   1.969  10.128  -7.863
  268    HB2  ALA  24           HB2      ALA  24   2.358   9.054  -6.518
  269    HB3  ALA  24           HB3      ALA  24   0.811   9.899  -6.553
  270    H    SER  25           H        SER  25  -1.535   7.832  -7.606
  271    HA   SER  25           HA       SER  25  -2.268   9.294 -10.062
  272    HB2  SER  25           HB2      SER  25  -2.800   6.677  -9.534
  273    HB3  SER  25           HB3      SER  25  -4.259   7.445  -8.908
  274    HG   SER  25           HG       SER  25  -3.935   6.835 -11.330
  275    H    GLU  26           H        GLU  26  -4.184  10.593 -10.009
  276    HA   GLU  26           HA       GLU  26  -4.467  12.109  -7.657
  277    HB2  GLU  26           HB2      GLU  26  -6.414  12.036  -9.963
  278    HB3  GLU  26           HB3      GLU  26  -6.112  13.350  -8.850
  279    HG2  GLU  26           HG2      GLU  26  -4.044  12.313 -10.749
  280    HG3  GLU  26           HG3      GLU  26  -5.145  13.635 -11.136
  281    H    ALA  27           H        ALA  27  -6.332  12.417  -6.389
  282    HA   ALA  27           HA       ALA  27  -7.400   9.917  -5.538
  283    HB1  ALA  27           HB1      ALA  27  -8.221  11.196  -3.650
  284    HB2  ALA  27           HB2      ALA  27  -7.821  12.698  -4.487
  285    HB3  ALA  27           HB3      ALA  27  -6.519  11.578  -4.014
  286    H    ARG  28           H        ARG  28  -9.217   9.004  -6.013
  287    HA   ARG  28           HA       ARG  28 -11.383  10.556  -7.276
  288    HB2  ARG  28           HB2      ARG  28 -10.472   9.387  -9.080
  289    HB3  ARG  28           HB3      ARG  28 -10.067   7.989  -8.102
  290    HG2  ARG  28           HG2      ARG  28 -12.774   7.958  -7.947
  291    HG3  ARG  28           HG3      ARG  28 -12.530   8.629  -9.560
  292    HD2  ARG  28           HD2      ARG  28 -11.331   6.736 -10.281
  293    HD3  ARG  28           HD3      ARG  28 -11.096   6.158  -8.631
  294    HE   ARG  28           HE       ARG  28 -13.810   6.277  -9.739
  295   HH11  ARG  28          HH11      ARG  28 -11.112   4.380  -8.584
  296   HH12  ARG  28          HH12      ARG  28 -12.037   2.924  -8.440
  297   HH21  ARG  28          HH21      ARG  28 -15.024   4.355  -9.548
  298   HH22  ARG  28          HH22      ARG  28 -14.253   2.908  -8.985
  299    H    GLN  29           H        GLN  29 -13.522   9.584  -7.091
  300    HA   GLN  29           HA       GLN  29 -13.972   8.417  -4.475
  301    HB2  GLN  29           HB2      GLN  29 -15.776   9.594  -6.577
  302    HB3  GLN  29           HB3      GLN  29 -16.414   8.761  -5.169
  303    HG2  GLN  29           HG2      GLN  29 -15.166  10.359  -3.748
  304    HG3  GLN  29           HG3      GLN  29 -14.739  11.250  -5.205
  305   HE21  GLN  29          HE21      GLN  29 -16.309  12.096  -2.891
  306   HE22  GLN  29          HE22      GLN  29 -17.847  12.582  -3.507
  307    H    ILE  30           H        ILE  30 -14.801   6.416  -4.076
  308    HA   ILE  30           HA       ILE  30 -15.421   4.715  -6.402
  309    HB   ILE  30           HB       ILE  30 -14.468   2.806  -5.336
  310   HG12  ILE  30          HG12      ILE  30 -13.713   4.449  -2.936
  311   HG13  ILE  30          HG13      ILE  30 -15.267   3.619  -3.040
  312   HG21  ILE  30          HG21      ILE  30 -12.663   5.206  -5.177
  313   HG22  ILE  30          HG22      ILE  30 -12.738   3.965  -6.430
  314   HG23  ILE  30          HG23      ILE  30 -12.077   3.571  -4.836
  315   HD11  ILE  30          HD11      ILE  30 -14.205   1.493  -3.132
  316   HD12  ILE  30          HD12      ILE  30 -13.457   2.391  -1.811
  317   HD13  ILE  30          HD13      ILE  30 -12.617   2.228  -3.353
  318    H    GLN  31           H        GLN  31 -16.925   2.928  -5.846
  319    HA   GLN  31           HA       GLN  31 -18.849   3.755  -3.786
  320    HB2  GLN  31           HB2      GLN  31 -19.273   2.479  -6.481
  321    HB3  GLN  31           HB3      GLN  31 -20.511   2.442  -5.234
  322    HG2  GLN  31           HG2      GLN  31 -20.592   4.862  -5.204
  323    HG3  GLN  31           HG3      GLN  31 -19.291   4.938  -6.391
  324   HE21  GLN  31          HE21      GLN  31 -19.716   4.428  -8.530
  325   HE22  GLN  31          HE22      GLN  31 -21.322   4.307  -9.153
  326    H    THR  32           H        THR  32 -18.763   2.480  -2.075
  327    HA   THR  32           HA       THR  32 -18.162  -0.380  -2.447
  328    HB   THR  32           HB       THR  32 -17.464  -0.449  -0.125
  329    HG1  THR  32           HG1      THR  32 -18.627   2.067  -0.109
  330   HG21  THR  32          HG21      THR  32 -16.253   1.586  -1.943
  331   HG22  THR  32          HG22      THR  32 -15.642   0.001  -1.471
  332   HG23  THR  32          HG23      THR  32 -15.580   1.350  -0.328
  333    H    LYS  33           H        LYS  33 -19.011  -1.496  -0.210
  334    HA   LYS  33           HA       LYS  33 -21.873  -1.480  -0.533
  335    HB2  LYS  33           HB2      LYS  33 -21.836  -3.409   0.977
  336    HB3  LYS  33           HB3      LYS  33 -20.658  -3.598  -0.315
  337    HG2  LYS  33           HG2      LYS  33 -18.853  -3.075   1.146
  338    HG3  LYS  33           HG3      LYS  33 -19.960  -2.589   2.430
  339    HD2  LYS  33           HD2      LYS  33 -20.827  -4.943   2.445
  340    HD3  LYS  33           HD3      LYS  33 -19.517  -5.363   1.339
  341    HE2  LYS  33           HE2      LYS  33 -17.878  -4.616   2.989
  342    HE3  LYS  33           HE3      LYS  33 -19.180  -4.172   4.090
  343    HZ1  LYS  33           HZ1      LYS  33 -18.529  -6.908   3.140
  344    HZ2  LYS  33           HZ2      LYS  33 -19.867  -6.518   4.100
  345    HZ3  LYS  33           HZ3      LYS  33 -18.302  -6.301   4.703
  346    H    ASN  34           H        ASN  34 -19.691   0.214   1.332
  347    HA   ASN  34           HA       ASN  34 -21.636   0.619   3.511
  348    HB2  ASN  34           HB2      ASN  34 -18.649   1.096   3.454
  349    HB3  ASN  34           HB3      ASN  34 -19.698   1.568   4.787
  350   HD21  ASN  34          HD21      ASN  34 -20.668  -0.042   6.053
  351   HD22  ASN  34          HD22      ASN  34 -20.042  -1.651   6.098
  352    H    GLY  35           H        GLY  35 -21.012   1.911   0.675
  353    HA2  GLY  35           HA2      GLY  35 -22.211   4.047   0.281
  354    HA3  GLY  35           HA3      GLY  35 -21.314   4.689   1.647
  355    H    VAL  36           H        VAL  36 -20.506   6.378   0.310
  356    HA   VAL  36           HA       VAL  36 -18.540   5.467  -1.672
  357    HB   VAL  36           HB       VAL  36 -20.243   6.845  -2.682
  358   HG11  VAL  36          HG11      VAL  36 -20.547   9.199  -2.054
  359   HG12  VAL  36          HG12      VAL  36 -19.418   8.984  -0.715
  360   HG13  VAL  36          HG13      VAL  36 -20.952   8.115  -0.723
  361   HG21  VAL  36          HG21      VAL  36 -17.665   8.386  -2.452
  362   HG22  VAL  36          HG22      VAL  36 -18.848   8.503  -3.754
  363   HG23  VAL  36          HG23      VAL  36 -17.943   7.006  -3.514
  364    H    ARG  37           H        ARG  37 -16.503   6.097  -1.624
  365    HA   ARG  37           HA       ARG  37 -15.482   7.863   0.480
  366    HB2  ARG  37           HB2      ARG  37 -13.697   6.268   0.782
  367    HB3  ARG  37           HB3      ARG  37 -15.199   5.930   1.573
  368    HG2  ARG  37           HG2      ARG  37 -14.742   4.706  -1.092
  369    HG3  ARG  37           HG3      ARG  37 -13.925   4.006   0.306
  370    HD2  ARG  37           HD2      ARG  37 -16.842   4.630   0.388
  371    HD3  ARG  37           HD3      ARG  37 -16.258   3.135  -0.335
  372    HE   ARG  37           HE       ARG  37 -15.204   2.676   1.870
  373   HH11  ARG  37          HH11      ARG  37 -17.920   4.868   1.689
  374   HH12  ARG  37          HH12      ARG  37 -18.429   4.569   3.316
  375   HH21  ARG  37          HH21      ARG  37 -15.869   2.288   4.008
  376   HH22  ARG  37          HH22      ARG  37 -17.266   3.104   4.630
  377    H    THR  38           H        THR  38 -13.087   8.226   0.145
  378    HA   THR  38           HA       THR  38 -12.676   8.647  -2.742
  379    HB   THR  38           HB       THR  38 -11.238  10.643  -1.843
  380    HG1  THR  38           HG1      THR  38 -11.717  11.338   0.116
  381   HG21  THR  38          HG21      THR  38 -14.244  10.816  -1.965
  382   HG22  THR  38          HG22      THR  38 -13.150  10.880  -3.347
  383   HG23  THR  38          HG23      THR  38 -13.120  12.164  -2.138
  384    H    ILE  39           H        ILE  39 -11.149   7.310  -3.315
  385    HA   ILE  39           HA       ILE  39  -8.776   7.154  -1.594
  386    HB   ILE  39           HB       ILE  39  -8.598   4.767  -2.182
  387   HG12  ILE  39          HG12      ILE  39 -11.441   4.625  -2.902
  388   HG13  ILE  39          HG13      ILE  39 -10.414   5.358  -4.134
  389   HG21  ILE  39          HG21      ILE  39  -9.577   4.464  -0.221
  390   HG22  ILE  39          HG22      ILE  39 -11.164   4.599  -0.978
  391   HG23  ILE  39          HG23      ILE  39 -10.350   6.040  -0.376
  392   HD11  ILE  39          HD11      ILE  39  -8.930   3.231  -3.588
  393   HD12  ILE  39          HD12      ILE  39 -10.263   3.174  -4.737
  394   HD13  ILE  39          HD13      ILE  39 -10.496   2.594  -3.088
  395    H    SER  40           H        SER  40  -7.002   5.973  -2.818
  396    HA   SER  40           HA       SER  40  -7.007   6.363  -5.672
  397    HB2  SER  40           HB2      SER  40  -6.396   8.598  -4.622
  398    HB3  SER  40           HB3      SER  40  -4.911   7.812  -4.061
  399    HG   SER  40           HG       SER  40  -5.335   8.892  -6.397
  400    H    GLU  41           H        GLU  41  -4.872   5.701  -6.600
  401    HA   GLU  41           HA       GLU  41  -3.640   3.683  -4.891
  402    HB2  GLU  41           HB2      GLU  41  -5.335   3.057  -6.810
  403    HB3  GLU  41           HB3      GLU  41  -3.930   3.300  -7.829
  404    HG2  GLU  41           HG2      GLU  41  -3.531   1.587  -5.468
  405    HG3  GLU  41           HG3      GLU  41  -4.617   0.952  -6.704
  406    H    ALA  42           H        ALA  42  -1.483   3.622  -4.876
  407    HA   ALA  42           HA       ALA  42   0.062   5.090  -6.905
  408    HB1  ALA  42           HB1      ALA  42  -0.364   6.634  -5.045
  409    HB2  ALA  42           HB2      ALA  42   1.346   6.234  -5.201
  410    HB3  ALA  42           HB3      ALA  42   0.377   5.484  -3.932
  411    H    ILE  43           H        ILE  43   1.841   3.993  -7.496
  412    HA   ILE  43           HA       ILE  43   2.423   1.478  -6.213
  413    HB   ILE  43           HB       ILE  43   3.838   2.756  -8.553
  414   HG12  ILE  43          HG12      ILE  43   1.509   2.540  -9.123
  415   HG13  ILE  43          HG13      ILE  43   2.387   1.245  -9.931
  416   HG21  ILE  43          HG21      ILE  43   4.663   0.581  -9.068
  417   HG22  ILE  43          HG22      ILE  43   3.674  -0.158  -7.809
  418   HG23  ILE  43          HG23      ILE  43   5.019   0.894  -7.370
  419   HD11  ILE  43          HD11      ILE  43   1.695  -0.254  -8.041
  420   HD12  ILE  43          HD12      ILE  43   0.388   0.318  -9.080
  421   HD13  ILE  43          HD13      ILE  43   0.646   1.056  -7.497
  422    H    VAL  44           H        VAL  44   3.930   1.119  -4.788
  423    HA   VAL  44           HA       VAL  44   6.312   2.805  -4.469
  424    HB   VAL  44           HB       VAL  44   6.091   1.606  -1.935
  425   HG11  VAL  44          HG11      VAL  44   5.116   4.143  -3.105
  426   HG12  VAL  44          HG12      VAL  44   5.649   3.838  -1.444
  427   HG13  VAL  44          HG13      VAL  44   3.950   3.526  -1.920
  428   HG21  VAL  44          HG21      VAL  44   4.067   0.472  -2.862
  429   HG22  VAL  44          HG22      VAL  44   3.356   2.082  -3.061
  430   HG23  VAL  44          HG23      VAL  44   3.745   1.482  -1.445
  431    H    GLY  45           H        GLY  45   7.957   1.684  -3.350
  432    HA2  GLY  45           HA2      GLY  45   8.016  -0.973  -2.686
  433    HA3  GLY  45           HA3      GLY  45   8.535  -0.950  -4.364
  434    H    ASP  46           H        ASP  46  10.249  -1.963  -2.595
  435    HA   ASP  46           HA       ASP  46  12.303   0.132  -2.359
  436    HB2  ASP  46           HB2      ASP  46  13.146  -1.044  -0.331
  437    HB3  ASP  46           HB3      ASP  46  11.536  -0.369  -0.118
  438    H    GLU  47           H        GLU  47  14.384  -1.501  -1.551
  439    HA   GLU  47           HA       GLU  47  15.124  -2.706  -4.024
  440    HB2  GLU  47           HB2      GLU  47  17.218  -3.344  -2.731
  441    HB3  GLU  47           HB3      GLU  47  16.872  -1.627  -2.867
  442    HG2  GLU  47           HG2      GLU  47  16.720  -1.385  -0.662
  443    HG3  GLU  47           HG3      GLU  47  15.686  -2.802  -0.497
  444    H    THR  48           H        THR  48  13.173  -3.862  -1.648
  445    HA   THR  48           HA       THR  48  14.147  -6.624  -1.902
  446    HB   THR  48           HB       THR  48  13.030  -7.148   0.068
  447    HG1  THR  48           HG1      THR  48  11.143  -5.610  -0.833
  448   HG21  THR  48          HG21      THR  48  14.896  -5.378   0.256
  449   HG22  THR  48          HG22      THR  48  13.874  -5.673   1.661
  450   HG23  THR  48          HG23      THR  48  13.586  -4.263   0.643
  451    H    GLY  49           H        GLY  49  12.088  -4.673  -3.549
  452    HA2  GLY  49           HA2      GLY  49  10.925  -6.298  -5.230
  453    HA3  GLY  49           HA3      GLY  49   9.958  -6.657  -3.810
  454    H    ARG  50           H        ARG  50   8.067  -5.901  -4.690
  455    HA   ARG  50           HA       ARG  50   7.662  -3.078  -4.565
  456    HB2  ARG  50           HB2      ARG  50   8.418  -3.289  -6.862
  457    HB3  ARG  50           HB3      ARG  50   7.277  -4.600  -7.144
  458    HG2  ARG  50           HG2      ARG  50   5.550  -2.769  -6.365
  459    HG3  ARG  50           HG3      ARG  50   6.816  -1.692  -6.949
  460    HD2  ARG  50           HD2      ARG  50   5.877  -4.001  -8.610
  461    HD3  ARG  50           HD3      ARG  50   4.960  -2.498  -8.572
  462    HE   ARG  50           HE       ARG  50   7.802  -2.391  -9.239
  463   HH11  ARG  50          HH11      ARG  50   4.476  -2.105 -10.259
  464   HH12  ARG  50          HH12      ARG  50   4.871  -1.325 -11.753
  465   HH21  ARG  50          HH21      ARG  50   8.324  -1.366 -11.203
  466   HH22  ARG  50          HH22      ARG  50   7.056  -0.907 -12.290
  467    H    VAL  51           H        VAL  51   5.581  -2.585  -4.197
  468    HA   VAL  51           HA       VAL  51   3.495  -4.577  -4.393
  469    HB   VAL  51           HB       VAL  51   4.354  -5.068  -2.205
  470   HG11  VAL  51          HG11      VAL  51   4.068  -2.126  -1.597
  471   HG12  VAL  51          HG12      VAL  51   5.584  -3.004  -1.792
  472   HG13  VAL  51          HG13      VAL  51   4.517  -3.376  -0.439
  473   HG21  VAL  51          HG21      VAL  51   1.879  -3.383  -2.045
  474   HG22  VAL  51          HG22      VAL  51   2.401  -4.532  -0.813
  475   HG23  VAL  51          HG23      VAL  51   1.957  -5.101  -2.422
  476    H    LYS  52           H        LYS  52   1.561  -3.688  -4.876
  477    HA   LYS  52           HA       LYS  52   1.327  -0.940  -5.462
  478    HB2  LYS  52           HB2      LYS  52  -1.067  -2.701  -5.078
  479    HB3  LYS  52           HB3      LYS  52  -0.811  -1.436  -6.271
  480    HG2  LYS  52           HG2      LYS  52   1.130  -3.531  -6.615
  481    HG3  LYS  52           HG3      LYS  52  -0.500  -4.202  -6.601
  482    HD2  LYS  52           HD2      LYS  52  -1.177  -2.814  -8.403
  483    HD3  LYS  52           HD3      LYS  52   0.288  -1.837  -8.288
  484    HE2  LYS  52           HE2      LYS  52   0.436  -3.349 -10.180
  485    HE3  LYS  52           HE3      LYS  52   1.626  -3.790  -8.954
  486    HZ1  LYS  52           HZ1      LYS  52   0.158  -5.552  -8.206
  487    HZ2  LYS  52           HZ2      LYS  52   0.483  -5.732  -9.856
  488    HZ3  LYS  52           HZ3      LYS  52  -1.008  -5.114  -9.350
  489    H    LEU  53           H        LEU  53   0.645   0.766  -4.265
  490    HA   LEU  53           HA       LEU  53  -0.321   0.240  -1.539
  491    HB2  LEU  53           HB2      LEU  53   1.770   1.659  -2.021
  492    HB3  LEU  53           HB3      LEU  53   0.658   2.891  -2.569
  493    HG   LEU  53           HG       LEU  53   1.562   3.069  -0.183
  494   HD11  LEU  53          HD11      LEU  53  -0.300   4.414  -0.998
  495   HD12  LEU  53          HD12      LEU  53  -0.532   3.945   0.687
  496   HD13  LEU  53          HD13      LEU  53  -1.424   3.115  -0.590
  497   HD21  LEU  53          HD21      LEU  53   0.417   1.806   1.524
  498   HD22  LEU  53          HD22      LEU  53   1.237   0.712   0.411
  499   HD23  LEU  53          HD23      LEU  53  -0.509   0.938   0.300
  500    H    THR  54           H        THR  54  -2.193   1.064  -0.810
  501    HA   THR  54           HA       THR  54  -3.871   2.579  -2.640
  502    HB   THR  54           HB       THR  54  -5.131   0.536  -0.850
  503    HG1  THR  54           HG1      THR  54  -3.803   0.127  -3.312
  504   HG21  THR  54          HG21      THR  54  -6.295   0.994  -3.441
  505   HG22  THR  54          HG22      THR  54  -5.983   2.523  -2.630
  506   HG23  THR  54          HG23      THR  54  -6.981   1.303  -1.849
  507    H    LEU  55           H        LEU  55  -4.092   4.443  -1.720
  508    HA   LEU  55           HA       LEU  55  -4.062   4.864   1.113
  509    HB2  LEU  55           HB2      LEU  55  -4.864   6.892  -0.893
  510    HB3  LEU  55           HB3      LEU  55  -3.913   7.094   0.548
  511    HG   LEU  55           HG       LEU  55  -2.523   5.345  -1.220
  512   HD11  LEU  55          HD11      LEU  55  -2.124   7.450  -2.818
  513   HD12  LEU  55          HD12      LEU  55  -3.828   7.648  -2.431
  514   HD13  LEU  55          HD13      LEU  55  -3.271   6.155  -3.167
  515   HD21  LEU  55          HD21      LEU  55  -1.518   6.689   0.571
  516   HD22  LEU  55          HD22      LEU  55  -1.883   8.150  -0.350
  517   HD23  LEU  55          HD23      LEU  55  -0.753   6.960  -0.994
  518    H    TRP  56           H        TRP  56  -5.819   5.964   2.263
  519    HA   TRP  56           HA       TRP  56  -8.444   5.521   1.032
  520    HB2  TRP  56           HB2      TRP  56  -7.418   4.501   3.638
  521    HB3  TRP  56           HB3      TRP  56  -9.142   4.756   3.423
  522    HD1  TRP  56           HD1      TRP  56  -6.301   2.418   2.444
  523    HE1  TRP  56           HE1      TRP  56  -7.213   0.464   1.072
  524    HE3  TRP  56           HE3      TRP  56 -11.103   4.106   1.754
  525    HZ2  TRP  56           HZ2      TRP  56  -9.719  -0.287  -0.102
  526    HZ3  TRP  56           HZ3      TRP  56 -12.667   2.713   0.484
  527    HH2  TRP  56           HH2      TRP  56 -11.992   0.568  -0.427
  528    H    GLY  57           H        GLY  57  -9.752   7.114   1.086
  529    HA2  GLY  57           HA2      GLY  57 -10.864   9.015   1.598
  530    HA3  GLY  57           HA3      GLY  57 -10.354   8.804   3.245
  531    H    LYS  58           H        LYS  58  -8.566  10.045   4.010
  532    HA   LYS  58           HA       LYS  58  -8.026  12.388   2.407
  533    HB2  LYS  58           HB2      LYS  58  -6.544  12.920   4.532
  534    HB3  LYS  58           HB3      LYS  58  -8.288  13.118   4.548
  535    HG2  LYS  58           HG2      LYS  58  -7.783  12.047   6.556
  536    HG3  LYS  58           HG3      LYS  58  -8.383  10.761   5.509
  537    HD2  LYS  58           HD2      LYS  58  -5.745  10.666   4.943
  538    HD3  LYS  58           HD3      LYS  58  -5.691  11.204   6.623
  539    HE2  LYS  58           HE2      LYS  58  -7.368   8.873   5.765
  540    HE3  LYS  58           HE3      LYS  58  -5.655   8.690   6.149
  541    HZ1  LYS  58           HZ1      LYS  58  -7.004   8.220   8.082
  542    HZ2  LYS  58           HZ2      LYS  58  -7.768   9.725   7.972
  543    HZ3  LYS  58           HZ3      LYS  58  -6.122   9.640   8.351
  544    H    HIS  59           H        HIS  59  -6.317   9.465   3.193
  545    HA   HIS  59           HA       HIS  59  -3.708  10.387   2.551
  546    HB2  HIS  59           HB2      HIS  59  -4.993   7.685   2.837
  547    HB3  HIS  59           HB3      HIS  59  -3.379   7.834   2.157
  548    HD2  HIS  59           HD2      HIS  59  -4.674   6.961   5.450
  549    HE1  HIS  59           HE1      HIS  59  -1.293   9.387   6.294
  550    HE2  HIS  59           HE2      HIS  59  -2.958   7.728   7.198
  551    H    ALA  60           H        ALA  60  -6.466   9.452   0.743
  552    HA   ALA  60           HA       ALA  60  -5.377   8.535  -1.633
  553    HB1  ALA  60           HB1      ALA  60  -7.479   8.630  -2.436
  554    HB2  ALA  60           HB2      ALA  60  -7.737  10.273  -1.869
  555    HB3  ALA  60           HB3      ALA  60  -7.876   8.928  -0.749
  556    H    GLY  61           H        GLY  61  -4.145   9.439  -3.140
  557    HA2  GLY  61           HA2      GLY  61  -3.042  11.007  -4.375
  558    HA3  GLY  61           HA3      GLY  61  -4.483  11.951  -4.228
  559    H    SER  62           H        SER  62  -3.302  11.310  -1.168
  560    HA   SER  62           HA       SER  62  -2.449  14.059  -0.877
  561    HB2  SER  62           HB2      SER  62  -3.817  13.294   0.895
  562    HB3  SER  62           HB3      SER  62  -2.886  11.792   1.066
  563    HG   SER  62           HG       SER  62  -1.432  12.819   2.224
  564    H    ILE  63           H        ILE  63  -0.962  11.023  -1.386
  565    HA   ILE  63           HA       ILE  63   1.529  11.625  -0.110
  566    HB   ILE  63           HB       ILE  63   2.391   9.669  -1.529
  567   HG12  ILE  63          HG12      ILE  63  -0.151   8.481  -1.976
  568   HG13  ILE  63          HG13      ILE  63  -0.193  10.072  -2.722
  569   HG21  ILE  63          HG21      ILE  63   1.339   8.047  -0.060
  570   HG22  ILE  63          HG22      ILE  63   0.023   9.164   0.304
  571   HG23  ILE  63          HG23      ILE  63   1.663   9.528   0.844
  572   HD11  ILE  63          HD11      ILE  63   0.548   8.465  -4.332
  573   HD12  ILE  63          HD12      ILE  63   1.809   7.890  -3.241
  574   HD13  ILE  63          HD13      ILE  63   1.899   9.518  -3.914
  575    H    LYS  64           H        LYS  64   3.597  11.417  -1.477
  576    HA   LYS  64           HA       LYS  64   3.417  13.423  -3.605
  577    HB2  LYS  64           HB2      LYS  64   5.358  12.820  -1.477
  578    HB3  LYS  64           HB3      LYS  64   6.073  13.189  -3.040
  579    HG2  LYS  64           HG2      LYS  64   4.678  15.275  -3.074
  580    HG3  LYS  64           HG3      LYS  64   4.253  14.925  -1.398
  581    HD2  LYS  64           HD2      LYS  64   6.891  14.722  -1.172
  582    HD3  LYS  64           HD3      LYS  64   6.841  15.804  -2.565
  583    HE2  LYS  64           HE2      LYS  64   5.628  17.445  -1.359
  584    HE3  LYS  64           HE3      LYS  64   5.298  16.327  -0.036
  585    HZ1  LYS  64           HZ1      LYS  64   7.045  17.894   0.538
  586    HZ2  LYS  64           HZ2      LYS  64   7.976  17.378  -0.776
  587    HZ3  LYS  64           HZ3      LYS  64   7.652  16.315   0.498
  588    H    GLU  65           H        GLU  65   5.627  13.114  -4.980
  589    HA   GLU  65           HA       GLU  65   5.288  10.613  -6.399
  590    HB2  GLU  65           HB2      GLU  65   6.133  13.304  -7.050
  591    HB3  GLU  65           HB3      GLU  65   7.354  12.145  -7.556
  592    HG2  GLU  65           HG2      GLU  65   5.902  11.062  -9.027
  593    HG3  GLU  65           HG3      GLU  65   4.490  11.742  -8.206
  594    H    GLY  66           H        GLY  66   7.744  10.065  -7.409
  595    HA2  GLY  66           HA2      GLY  66   8.897   8.374  -5.643
  596    HA3  GLY  66           HA3      GLY  66   9.812   9.172  -6.901
  597    H    GLN  67           H        GLN  67   8.841   9.269  -3.554
  598    HA   GLN  67           HA       GLN  67  11.253  10.756  -2.828
  599    HB2  GLN  67           HB2      GLN  67   9.997  12.136  -1.254
  600    HB3  GLN  67           HB3      GLN  67   9.389  12.400  -2.881
  601    HG2  GLN  67           HG2      GLN  67   7.375  12.102  -2.026
  602    HG3  GLN  67           HG3      GLN  67   7.778  10.389  -1.982
  603   HE21  GLN  67          HE21      GLN  67   8.543   9.497  -0.028
  604   HE22  GLN  67          HE22      GLN  67   8.172  10.233   1.490
  605    H    VAL  68           H        VAL  68  11.725  10.418  -0.412
  606    HA   VAL  68           HA       VAL  68  11.313   7.656   0.162
  607    HB   VAL  68           HB       VAL  68  12.681   9.613   1.981
  608   HG11  VAL  68          HG11      VAL  68  12.697   6.717   1.469
  609   HG12  VAL  68          HG12      VAL  68  12.476   7.561   2.998
  610   HG13  VAL  68          HG13      VAL  68  14.080   7.458   2.270
  611   HG21  VAL  68          HG21      VAL  68  14.748   9.130   0.821
  612   HG22  VAL  68          HG22      VAL  68  13.579   9.951  -0.228
  613   HG23  VAL  68          HG23      VAL  68  13.815   8.178  -0.357
  614    H    VAL  69           H        VAL  69   9.558   6.987   1.163
  615    HA   VAL  69           HA       VAL  69   8.357   8.709   3.232
  616    HB   VAL  69           HB       VAL  69   6.417   6.831   2.501
  617   HG11  VAL  69          HG11      VAL  69   5.118   8.730   1.859
  618   HG12  VAL  69          HG12      VAL  69   6.570   9.708   1.629
  619   HG13  VAL  69          HG13      VAL  69   6.112   9.174   3.248
  620   HG21  VAL  69          HG21      VAL  69   8.129   7.347   0.259
  621   HG22  VAL  69          HG22      VAL  69   6.521   7.998  -0.048
  622   HG23  VAL  69          HG23      VAL  69   6.718   6.295   0.365
  623    H    LYS  70           H        LYS  70   6.843   7.227   4.663
  624    HA   LYS  70           HA       LYS  70   8.167   4.693   5.260
  625    HB2  LYS  70           HB2      LYS  70   9.145   6.576   6.668
  626    HB3  LYS  70           HB3      LYS  70   7.568   6.696   7.435
  627    HG2  LYS  70           HG2      LYS  70   8.194   3.997   7.570
  628    HG3  LYS  70           HG3      LYS  70   9.715   4.826   7.910
  629    HD2  LYS  70           HD2      LYS  70   8.443   6.234   9.570
  630    HD3  LYS  70           HD3      LYS  70   7.083   5.133   9.341
  631    HE2  LYS  70           HE2      LYS  70   8.518   3.256  10.033
  632    HE3  LYS  70           HE3      LYS  70   9.840   4.389  10.312
  633    HZ1  LYS  70           HZ1      LYS  70   8.695   3.846  12.366
  634    HZ2  LYS  70           HZ2      LYS  70   7.228   4.397  11.728
  635    HZ3  LYS  70           HZ3      LYS  70   8.495   5.486  11.995
  636    H    ILE  71           H        ILE  71   6.536   3.315   4.994
  637    HA   ILE  71           HA       ILE  71   3.816   4.027   5.568
  638    HB   ILE  71           HB       ILE  71   4.971   1.316   4.917
  639   HG12  ILE  71          HG12      ILE  71   5.288   3.237   3.239
  640   HG13  ILE  71          HG13      ILE  71   4.556   1.745   2.645
  641   HG21  ILE  71          HG21      ILE  71   2.172   2.356   5.147
  642   HG22  ILE  71          HG22      ILE  71   2.878   0.897   5.845
  643   HG23  ILE  71          HG23      ILE  71   2.547   0.977   4.114
  644   HD11  ILE  71          HD11      ILE  71   3.516   3.917   1.875
  645   HD12  ILE  71          HD12      ILE  71   2.965   4.147   3.534
  646   HD13  ILE  71          HD13      ILE  71   2.401   2.762   2.601
  647    H    GLU  72           H        GLU  72   2.493   3.265   7.272
  648    HA   GLU  72           HA       GLU  72   3.960   2.083   9.467
  649    HB2  GLU  72           HB2      GLU  72   2.812   4.522   9.457
  650    HB3  GLU  72           HB3      GLU  72   1.487   3.590  10.049
  651    HG2  GLU  72           HG2      GLU  72   3.957   2.917  11.374
  652    HG3  GLU  72           HG3      GLU  72   3.598   4.637  11.506
  653    H    ASN  73           H        ASN  73   2.155   1.379  11.035
  654    HA   ASN  73           HA       ASN  73   1.140  -1.054  10.278
  655    HB2  ASN  73           HB2      ASN  73   1.227   0.412  12.559
  656    HB3  ASN  73           HB3      ASN  73  -0.458   0.446  12.146
  657   HD21  ASN  73          HD21      ASN  73  -1.643  -1.247  12.890
  658   HD22  ASN  73          HD22      ASN  73  -1.034  -2.765  13.409
  659    H    ALA  74           H        ALA  74   0.012  -1.194   8.439
  660    HA   ALA  74           HA       ALA  74  -2.644   0.082   8.422
  661    HB1  ALA  74           HB1      ALA  74  -1.413   1.025   6.633
  662    HB2  ALA  74           HB2      ALA  74  -2.492  -0.174   5.919
  663    HB3  ALA  74           HB3      ALA  74  -0.784  -0.548   6.148
  664    H    TRP  75           H        TRP  75  -1.797  -2.182   6.001
  665    HA   TRP  75           HA       TRP  75  -2.304  -4.651   7.172
  666    HB2  TRP  75           HB2      TRP  75  -4.660  -5.022   6.453
  667    HB3  TRP  75           HB3      TRP  75  -4.489  -3.887   7.785
  668    HD1  TRP  75           HD1      TRP  75  -5.178  -3.867   3.976
  669    HE1  TRP  75           HE1      TRP  75  -6.541  -1.783   3.448
  670    HE3  TRP  75           HE3      TRP  75  -5.128  -1.600   8.541
  671    HZ2  TRP  75           HZ2      TRP  75  -7.458   0.463   4.696
  672    HZ3  TRP  75           HZ3      TRP  75  -6.292   0.569   8.780
  673    HH2  TRP  75           HH2      TRP  75  -7.471   1.565   6.852
  674    H    THR  76           H        THR  76  -3.111  -6.251   5.567
  675    HA   THR  76           HA       THR  76  -2.375  -5.485   2.843
  676    HB   THR  76           HB       THR  76  -1.307  -7.820   2.687
  677    HG1  THR  76           HG1      THR  76  -0.319  -8.308   4.849
  678   HG21  THR  76          HG21      THR  76   0.862  -6.927   3.655
  679   HG22  THR  76          HG22      THR  76  -0.057  -5.495   4.120
  680   HG23  THR  76          HG23      THR  76   0.078  -5.941   2.417
  681    H    THR  77           H        THR  77  -3.646  -6.280   1.343
  682    HA   THR  77           HA       THR  77  -5.476  -8.467   2.050
  683    HB   THR  77           HB       THR  77  -7.360  -7.378   1.150
  684    HG1  THR  77           HG1      THR  77  -6.520  -6.543  -0.747
  685   HG21  THR  77          HG21      THR  77  -6.675  -6.395   3.331
  686   HG22  THR  77          HG22      THR  77  -7.541  -5.241   2.321
  687   HG23  THR  77          HG23      THR  77  -5.788  -5.140   2.465
  688    H    ALA  78           H        ALA  78  -5.543 -10.057   0.536
  689    HA   ALA  78           HA       ALA  78  -3.791  -9.743  -1.753
  690    HB1  ALA  78           HB1      ALA  78  -3.600 -11.734  -0.359
  691    HB2  ALA  78           HB2      ALA  78  -4.014 -12.147  -2.023
  692    HB3  ALA  78           HB3      ALA  78  -5.255 -12.183  -0.771
  693    H    PHE  79           H        PHE  79  -4.674  -8.748  -3.471
  694    HA   PHE  79           HA       PHE  79  -7.362  -9.432  -4.294
  695    HB2  PHE  79           HB2      PHE  79  -6.325  -7.020  -4.097
  696    HB3  PHE  79           HB3      PHE  79  -5.661  -7.410  -5.699
  697    HD1  PHE  79           HD1      PHE  79  -8.759  -7.208  -3.745
  698    HD2  PHE  79           HD2      PHE  79  -7.011  -7.350  -7.598
  699    HE1  PHE  79           HE1      PHE  79 -10.928  -6.771  -4.733
  700    HE2  PHE  79           HE2      PHE  79  -9.183  -6.889  -8.600
  701    HZ   PHE  79           HZ       PHE  79 -11.170  -6.598  -7.177
  702    H    LYS  80           H        LYS  80  -7.695 -10.841  -5.848
  703    HA   LYS  80           HA       LYS  80  -7.438 -12.217  -7.619
  704    HB2  LYS  80           HB2      LYS  80  -5.374 -10.209  -8.525
  705    HB3  LYS  80           HB3      LYS  80  -6.134 -11.435  -9.535
  706    HG2  LYS  80           HG2      LYS  80  -7.634  -9.251  -8.122
  707    HG3  LYS  80           HG3      LYS  80  -7.063  -9.136  -9.784
  708    HD2  LYS  80           HD2      LYS  80  -8.450 -11.036 -10.406
  709    HD3  LYS  80           HD3      LYS  80  -8.974 -11.221  -8.729
  710    HE2  LYS  80           HE2      LYS  80  -9.949  -8.960  -8.811
  711    HE3  LYS  80           HE3      LYS  80  -9.476  -8.833 -10.502
  712    HZ1  LYS  80           HZ1      LYS  80 -11.791  -9.464 -10.288
  713    HZ2  LYS  80           HZ2      LYS  80 -11.368 -10.829  -9.383
  714    HZ3  LYS  80           HZ3      LYS  80 -10.906 -10.716 -11.005
  715    H    GLY  81           H        GLY  81  -5.492 -12.332  -5.200
  716    HA2  GLY  81           HA2      GLY  81  -4.272 -14.345  -4.745
  717    HA3  GLY  81           HA3      GLY  81  -3.810 -14.407  -6.438
  718    H    GLN  82           H        GLN  82  -3.342 -11.305  -5.948
  719    HA   GLN  82           HA       GLN  82  -0.576 -11.703  -5.034
  720    HB2  GLN  82           HB2      GLN  82  -0.925  -9.056  -5.974
  721    HB3  GLN  82           HB3      GLN  82   0.035 -10.340  -6.694
  722    HG2  GLN  82           HG2      GLN  82  -1.365 -10.523  -8.402
  723    HG3  GLN  82           HG3      GLN  82  -2.765 -10.625  -7.336
  724   HE21  GLN  82          HE21      GLN  82  -2.405  -8.106  -6.066
  725   HE22  GLN  82          HE22      GLN  82  -2.782  -6.879  -7.220
  726    H    VAL  83           H        VAL  83   0.265 -10.494  -3.349
  727    HA   VAL  83           HA       VAL  83  -1.652  -9.547  -1.462
  728    HB   VAL  83           HB       VAL  83   1.311  -9.017  -1.276
  729   HG11  VAL  83          HG11      VAL  83   0.498  -9.691   1.197
  730   HG12  VAL  83          HG12      VAL  83  -0.982  -8.977   0.557
  731   HG13  VAL  83          HG13      VAL  83   0.509  -8.039   0.578
  732   HG21  VAL  83          HG21      VAL  83   1.042 -11.368  -1.879
  733   HG22  VAL  83          HG22      VAL  83  -0.093 -11.581  -0.547
  734   HG23  VAL  83          HG23      VAL  83   1.595 -11.195  -0.213
  735    H    GLN  84           H        GLN  84  -1.744  -7.376  -0.569
  736    HA   GLN  84           HA       GLN  84  -0.636  -5.259  -2.241
  737    HB2  GLN  84           HB2      GLN  84  -3.143  -6.122  -2.801
  738    HB3  GLN  84           HB3      GLN  84  -3.498  -4.902  -1.590
  739    HG2  GLN  84           HG2      GLN  84  -2.394  -3.214  -2.890
  740    HG3  GLN  84           HG3      GLN  84  -1.853  -4.418  -4.059
  741   HE21  GLN  84          HE21      GLN  84  -4.535  -2.574  -2.864
  742   HE22  GLN  84          HE22      GLN  84  -5.623  -2.915  -4.192
  743    H    LEU  85           H        LEU  85  -0.999  -3.094  -1.251
  744    HA   LEU  85           HA       LEU  85  -1.230  -3.280   1.680
  745    HB2  LEU  85           HB2      LEU  85   1.087  -2.905   0.315
  746    HB3  LEU  85           HB3      LEU  85   0.597  -1.251   0.599
  747    HG   LEU  85           HG       LEU  85   0.340  -2.711   3.044
  748   HD11  LEU  85          HD11      LEU  85   2.707  -3.287   3.391
  749   HD12  LEU  85          HD12      LEU  85   3.024  -2.951   1.689
  750   HD13  LEU  85          HD13      LEU  85   1.954  -4.278   2.141
  751   HD21  LEU  85          HD21      LEU  85   2.030  -1.024   3.764
  752   HD22  LEU  85          HD22      LEU  85   0.619  -0.340   2.957
  753   HD23  LEU  85          HD23      LEU  85   2.144  -0.497   2.084
  754    H    ASN  86           H        ASN  86  -2.044  -1.434   2.753
  755    HA   ASN  86           HA       ASN  86  -3.196   0.695   1.034
  756    HB2  ASN  86           HB2      ASN  86  -4.639  -0.684   3.301
  757    HB3  ASN  86           HB3      ASN  86  -5.281   0.570   2.274
  758   HD21  ASN  86          HD21      ASN  86  -4.011  -2.648   2.288
  759   HD22  ASN  86          HD22      ASN  86  -4.902  -3.219   0.923
  760    H    ALA  87           H        ALA  87  -4.031   2.533   2.410
  761    HA   ALA  87           HA       ALA  87  -2.727   2.584   5.020
  762    HB1  ALA  87           HB1      ALA  87  -2.473   4.886   3.086
  763    HB2  ALA  87           HB2      ALA  87  -1.219   3.679   3.359
  764    HB3  ALA  87           HB3      ALA  87  -1.725   4.735   4.676
  765    H    GLY  88           H        GLY  88  -4.247   2.952   6.431
  766    HA2  GLY  88           HA2      GLY  88  -6.422   4.807   5.765
  767    HA3  GLY  88           HA3      GLY  88  -6.596   3.445   6.777
  768    H    SER  89           H        SER  89  -6.978   4.000   8.799
  769    HA   SER  89           HA       SER  89  -6.115   6.555   9.763
  770    HB2  SER  89           HB2      SER  89  -7.711   4.359  11.093
  771    HB3  SER  89           HB3      SER  89  -7.372   5.919  11.840
  772    HG   SER  89           HG       SER  89  -9.383   5.394  10.337
  773    H    LYS  90           H        LYS  90  -5.539   3.196  11.095
  774    HA   LYS  90           HA       LYS  90  -3.700   4.196  13.032
  775    HB2  LYS  90           HB2      LYS  90  -3.154   1.966  13.638
  776    HB3  LYS  90           HB3      LYS  90  -4.858   1.956  13.293
  777    HG2  LYS  90           HG2      LYS  90  -3.242   1.254  10.991
  778    HG3  LYS  90           HG3      LYS  90  -3.009   0.189  12.369
  779    HD2  LYS  90           HD2      LYS  90  -5.729   0.464  12.319
  780    HD3  LYS  90           HD3      LYS  90  -5.317   0.488  10.602
  781    HE2  LYS  90           HE2      LYS  90  -5.006  -1.709  10.620
  782    HE3  LYS  90           HE3      LYS  90  -3.788  -1.549  11.881
  783    HZ1  LYS  90           HZ1      LYS  90  -5.573  -1.593  13.532
  784    HZ2  LYS  90           HZ2      LYS  90  -5.560  -3.000  12.593
  785    HZ3  LYS  90           HZ3      LYS  90  -6.717  -1.802  12.300
  786    H    THR  91           H        THR  91  -3.404   4.178   9.846
  787    HA   THR  91           HA       THR  91  -0.532   3.563   9.761
  788    HB   THR  91           HB       THR  91  -2.215   4.411   7.403
  789    HG1  THR  91           HG1      THR  91  -2.182   1.872   8.669
  790   HG21  THR  91          HG21      THR  91   0.126   2.522   7.678
  791   HG22  THR  91          HG22      THR  91   0.195   4.180   7.079
  792   HG23  THR  91          HG23      THR  91  -0.683   2.950   6.171
  793    H    LYS  92           H        LYS  92   0.872   5.274   9.838
  794    HA   LYS  92           HA       LYS  92  -0.136   7.951   9.107
  795    HB2  LYS  92           HB2      LYS  92   1.247   7.028  11.491
  796    HB3  LYS  92           HB3      LYS  92   2.145   8.311  10.693
  797    HG2  LYS  92           HG2      LYS  92   0.719   9.308  12.315
  798    HG3  LYS  92           HG3      LYS  92   0.066   9.690  10.721
  799    HD2  LYS  92           HD2      LYS  92  -1.537   7.820  10.973
  800    HD3  LYS  92           HD3      LYS  92  -0.920   7.547  12.603
  801    HE2  LYS  92           HE2      LYS  92  -1.593   9.831  13.221
  802    HE3  LYS  92           HE3      LYS  92  -2.241  10.067  11.598
  803    HZ1  LYS  92           HZ1      LYS  92  -3.991   9.482  13.135
  804    HZ2  LYS  92           HZ2      LYS  92  -3.185   8.063  13.576
  805    HZ3  LYS  92           HZ3      LYS  92  -3.787   8.239  12.006
  806    H    ILE  93           H        ILE  93   0.676   8.477   7.139
  807    HA   ILE  93           HA       ILE  93   3.289   7.388   6.394
  808    HB   ILE  93           HB       ILE  93   1.591   9.071   4.580
  809   HG12  ILE  93          HG12      ILE  93   1.282   6.083   4.996
  810   HG13  ILE  93          HG13      ILE  93   0.141   7.299   5.552
  811   HG21  ILE  93          HG21      ILE  93   3.871   8.522   3.887
  812   HG22  ILE  93          HG22      ILE  93   2.676   7.741   2.844
  813   HG23  ILE  93          HG23      ILE  93   3.516   6.802   4.078
  814   HD11  ILE  93          HD11      ILE  93   0.809   6.557   2.724
  815   HD12  ILE  93          HD12      ILE  93  -0.107   8.000   3.155
  816   HD13  ILE  93          HD13      ILE  93  -0.733   6.404   3.565
  817    H    ALA  94           H        ALA  94   5.062   8.604   5.919
  818    HA   ALA  94           HA       ALA  94   5.028  11.500   5.683
  819    HB1  ALA  94           HB1      ALA  94   6.367  11.941   7.625
  820    HB2  ALA  94           HB2      ALA  94   6.115  10.279   8.230
  821    HB3  ALA  94           HB3      ALA  94   4.744  11.395   8.106
  822    H    GLU  95           H        GLU  95   6.972  12.415   5.033
  823    HA   GLU  95           HA       GLU  95   8.705  10.750   3.569
  824    HB2  GLU  95           HB2      GLU  95   9.425  13.562   4.388
  825    HB3  GLU  95           HB3      GLU  95   9.676  12.616   3.087
  826    HG2  GLU  95           HG2      GLU  95   8.234  13.695   2.061
  827    HG3  GLU  95           HG3      GLU  95   7.117  12.664   2.779
  828    H    ALA  96           H        ALA  96  10.572   9.911   3.996
  829    HA   ALA  96           HA       ALA  96  11.763  10.341   6.675
  830    HB1  ALA  96           HB1      ALA  96  12.189   8.052   6.995
  831    HB2  ALA  96           HB2      ALA  96  11.849   7.676   5.299
  832    HB3  ALA  96           HB3      ALA  96  10.529   8.120   6.394
  833    H    SER  97           H        SER  97  13.945  10.591   6.751
  834    HA   SER  97           HA       SER  97  15.365  10.496   4.173
  835    HB2  SER  97           HB2      SER  97  16.971  12.088   5.313
  836    HB3  SER  97           HB3      SER  97  15.389  12.709   4.959
  837    HG   SER  97           HG       SER  97  15.573  11.511   7.419
  838    H    GLU  98           H        GLU  98  16.923   9.039   3.930
  839    HA   GLU  98           HA       GLU  98  18.242   7.967   6.332
  840    HB2  GLU  98           HB2      GLU  98  17.246   6.402   3.943
  841    HB3  GLU  98           HB3      GLU  98  18.257   5.725   5.187
  842    HG2  GLU  98           HG2      GLU  98  15.854   7.002   6.177
  843    HG3  GLU  98           HG3      GLU  98  15.626   5.545   5.211
  844    H    ASP  99           H        ASP  99  19.935   6.179   4.763
  845    HA   ASP  99           HA       ASP  99  21.914   8.024   3.966
  846    HB2  ASP  99           HB2      ASP  99  21.755   5.034   4.188
  847    HB3  ASP  99           HB3      ASP  99  23.121   5.794   3.375
  848    H    GLY 100           H        GLY 100  19.320   7.641   2.371
  849    HA2  GLY 100           HA2      GLY 100  19.134   8.191   0.070
  850    HA3  GLY 100           HA3      GLY 100  20.687   7.431  -0.243
  851    H    PHE 101           H        PHE 101  17.278   6.828   0.391
  852    HA   PHE 101           HA       PHE 101  17.299   4.037   0.122
  853    HB2  PHE 101           HB2      PHE 101  15.374   6.018   0.545
  854    HB3  PHE 101           HB3      PHE 101  14.888   5.244  -0.958
  855    HD1  PHE 101           HD2      PHE 101  16.009   4.350   2.490
  856    HD2  PHE 101           HD1      PHE 101  13.543   3.388  -0.841
  857    HE1  PHE 101           HE2      PHE 101  15.036   2.489   3.755
  858    HE2  PHE 101           HE1      PHE 101  12.541   1.560   0.389
  859    HZ   PHE 101           HZ       PHE 101  13.300   1.079   2.731
  860    HA   PRO 102           HA       PRO 102  18.161   3.150  -4.118
  861    HB2  PRO 102           HB2      PRO 102  15.747   1.402  -3.991
  862    HB3  PRO 102           HB3      PRO 102  17.390   1.017  -4.528
  863    HG2  PRO 102           HG2      PRO 102  16.541   0.182  -2.163
  864    HG3  PRO 102           HG3      PRO 102  18.199   0.779  -2.373
  865    HD2  PRO 102           HD2      PRO 102  15.855   2.115  -1.105
  866    HD3  PRO 102           HD3      PRO 102  17.583   2.192  -0.672
  867    H    GLU 103           H        GLU 103  17.552   3.861  -6.112
  868    HA   GLU 103           HA       GLU 103  15.355   5.683  -6.267
  869    HB2  GLU 103           HB2      GLU 103  17.690   5.629  -7.524
  870    HB3  GLU 103           HB3      GLU 103  16.761   4.736  -8.720
  871    HG2  GLU 103           HG2      GLU 103  15.293   6.556  -9.075
  872    HG3  GLU 103           HG3      GLU 103  15.911   7.417  -7.665
  873    H    SER 104           H        SER 104  13.692   5.596  -7.956
  874    HA   SER 104           HA       SER 104  12.216   3.197  -7.837
  875    HB2  SER 104           HB2      SER 104  11.764   5.345  -9.903
  876    HB3  SER 104           HB3      SER 104  10.572   4.308  -9.117
  877    HG   SER 104           HG       SER 104  12.088   6.365  -7.878
  878    H    SER 105           H        SER 105  14.563   4.396 -10.096
  879    HA   SER 105           HA       SER 105  13.859   2.528 -12.181
  880    HB2  SER 105           HB2      SER 105  15.431   4.889 -11.994
  881    HB3  SER 105           HB3      SER 105  16.487   3.592 -12.553
  882    HG   SER 105           HG       SER 105  15.354   3.420 -14.356
  883    H    GLN 106           H        GLN 106  15.404   2.231  -9.276
  884    HA   GLN 106           HA       GLN 106  16.960  -0.082 -10.230
  885    HB2  GLN 106           HB2      GLN 106  17.654   1.619  -7.843
  886    HB3  GLN 106           HB3      GLN 106  18.609   0.345  -8.524
  887    HG2  GLN 106           HG2      GLN 106  18.646   1.816 -10.653
  888    HG3  GLN 106           HG3      GLN 106  18.083   3.094  -9.575
  889   HE21  GLN 106          HE21      GLN 106  20.442   0.478  -9.164
  890   HE22  GLN 106          HE22      GLN 106  21.763   1.504  -8.735
  891    H    ILE 107           H        ILE 107  14.208   0.593  -8.859
  892    HA   ILE 107           HA       ILE 107  14.419  -1.166  -6.538
  893    HB   ILE 107           HB       ILE 107  12.388   0.801  -7.493
  894   HG12  ILE 107          HG12      ILE 107  13.223   0.210  -4.666
  895   HG13  ILE 107          HG13      ILE 107  14.263   1.144  -5.736
  896   HG21  ILE 107          HG21      ILE 107  10.703  -0.053  -5.947
  897   HG22  ILE 107          HG22      ILE 107  11.738  -1.439  -5.564
  898   HG23  ILE 107          HG23      ILE 107  11.076  -1.242  -7.194
  899   HD11  ILE 107          HD11      ILE 107  11.506   2.058  -5.663
  900   HD12  ILE 107          HD12      ILE 107  13.020   2.956  -5.569
  901   HD13  ILE 107          HD13      ILE 107  12.359   2.166  -4.123
  902    HA   PRO 108           HA       PRO 108  13.235  -4.711  -9.025
  903    HB2  PRO 108           HB2      PRO 108  12.396  -5.695  -6.339
  904    HB3  PRO 108           HB3      PRO 108  13.407  -6.481  -7.559
  905    HG2  PRO 108           HG2      PRO 108  14.519  -5.436  -5.397
  906    HG3  PRO 108           HG3      PRO 108  15.297  -5.275  -6.985
  907    HD2  PRO 108           HD2      PRO 108  13.772  -3.245  -5.420
  908    HD3  PRO 108           HD3      PRO 108  15.208  -3.040  -6.445
  909    H    GLU 109           H        GLU 109  11.279  -5.992  -9.381
  910    HA   GLU 109           HA       GLU 109   8.836  -4.533  -8.608
  911    HB2  GLU 109           HB2      GLU 109   7.916  -5.363 -10.836
  912    HB3  GLU 109           HB3      GLU 109   9.126  -4.090 -10.916
  913    HG2  GLU 109           HG2      GLU 109  10.812  -5.616 -11.590
  914    HG3  GLU 109           HG3      GLU 109   9.782  -7.004 -11.242
  915    H    ASN 110           H        ASN 110  10.390  -7.142  -7.800
  916    HA   ASN 110           HA       ASN 110   8.819  -9.369  -8.310
  917    HB2  ASN 110           HB2      ASN 110  11.087  -8.997  -6.938
  918    HB3  ASN 110           HB3      ASN 110   9.970  -9.099  -5.580
  919   HD21  ASN 110          HD21      ASN 110  11.833 -10.823  -7.755
  920   HD22  ASN 110          HD22      ASN 110  11.181 -12.397  -7.466
  921    H    THR 111           H        THR 111   6.805  -9.884  -7.808
  922    HA   THR 111           HA       THR 111   5.324  -8.254  -5.915
  923    HB   THR 111           HB       THR 111   3.685 -10.338  -6.929
  924    HG1  THR 111           HG1      THR 111   5.446  -9.188  -8.842
  925   HG21  THR 111          HG21      THR 111   3.016  -8.015  -6.380
  926   HG22  THR 111          HG22      THR 111   2.489  -8.514  -7.988
  927   HG23  THR 111          HG23      THR 111   3.886  -7.455  -7.806
  928    HA   PRO 112           HA       PRO 112   6.202 -11.283  -2.683
  929    HB2  PRO 112           HB2      PRO 112   4.115  -9.686  -1.302
  930    HB3  PRO 112           HB3      PRO 112   5.737 -10.140  -0.757
  931    HG2  PRO 112           HG2      PRO 112   5.256  -7.654  -1.530
  932    HG3  PRO 112           HG3      PRO 112   6.777  -8.462  -1.966
  933    HD2  PRO 112           HD2      PRO 112   4.364  -7.960  -3.655
  934    HD3  PRO 112           HD3      PRO 112   6.086  -7.846  -4.078
  935    H    THR 113           H        THR 113   5.224 -13.176  -2.165
  936    HA   THR 113           HA       THR 113   2.335 -13.438  -2.221
  937    HB   THR 113           HB       THR 113   3.500 -15.613  -3.765
  938    HG1  THR 113           HG1      THR 113   3.662 -14.175  -5.688
  939   HG21  THR 113          HG21      THR 113   1.095 -15.189  -3.547
  940   HG22  THR 113          HG22      THR 113   1.605 -15.132  -5.235
  941   HG23  THR 113          HG23      THR 113   1.296 -13.634  -4.356
  942    H    ALA 114           H        ALA 114   1.741 -14.692  -0.580
  943    HA   ALA 114           HA       ALA 114   3.607 -16.012   1.076
  944    HB1  ALA 114           HB1      ALA 114   1.665 -16.825   2.308
  945    HB2  ALA 114           HB2      ALA 114   0.607 -16.322   0.988
  946    HB3  ALA 114           HB3      ALA 114   1.494 -15.113   1.918
  947    H    ARG 115           H        ARG 115   3.459 -18.338   1.690
  948    HA   ARG 115           HA       ARG 115   3.582 -19.958  -0.714
  949    HB2  ARG 115           HB2      ARG 115   4.427 -21.721   0.876
  950    HB3  ARG 115           HB3      ARG 115   5.405 -20.263   0.791
  951    HG2  ARG 115           HG2      ARG 115   4.264 -19.459   2.855
  952    HG3  ARG 115           HG3      ARG 115   3.472 -21.032   2.965
  953    HD2  ARG 115           HD2      ARG 115   5.499 -20.855   4.376
  954    HD3  ARG 115           HD3      ARG 115   5.594 -22.142   3.176
  955    HE   ARG 115           HE       ARG 115   6.865 -19.524   2.729
  956   HH11  ARG 115          HH11      ARG 115   7.017 -23.004   2.888
  957   HH12  ARG 115          HH12      ARG 115   8.627 -23.089   2.257
  958   HH21  ARG 115          HH21      ARG 115   8.985 -19.630   1.894
  959   HH22  ARG 115          HH22      ARG 115   9.746 -21.173   1.693
  960    H    ARG 116           H        ARG 116   2.278 -21.665  -1.207
  961    HA   ARG 116           HA       ARG 116  -0.108 -22.010   0.487
  962    HB2  ARG 116           HB2      ARG 116   0.263 -22.150  -2.496
  963    HB3  ARG 116           HB3      ARG 116  -1.125 -22.890  -1.710
  964    HG2  ARG 116           HG2      ARG 116  -1.689 -20.677  -0.743
  965    HG3  ARG 116           HG3      ARG 116  -0.371 -19.976  -1.685
  966    HD2  ARG 116           HD2      ARG 116  -2.138 -21.618  -3.301
  967    HD3  ARG 116           HD3      ARG 116  -2.994 -20.299  -2.506
  968    HE   ARG 116           HE       ARG 116  -1.129 -20.090  -4.659
  969   HH11  ARG 116          HH11      ARG 116  -2.422 -18.430  -1.881
  970   HH12  ARG 116          HH12      ARG 116  -2.070 -16.851  -2.498
  971   HH21  ARG 116          HH21      ARG 116  -0.661 -18.015  -5.481
  972   HH22  ARG 116          HH22      ARG 116  -1.069 -16.614  -4.546
  973    H    ARG 117           H        ARG 117  -0.939 -24.104   0.798
  974    HA   ARG 117           HA       ARG 117   1.077 -26.156   0.874
  975    HB2  ARG 117           HB2      ARG 117  -1.842 -26.488   1.547
  976    HB3  ARG 117           HB3      ARG 117  -0.482 -27.431   2.141
  977    HG2  ARG 117           HG2      ARG 117   0.319 -25.515   3.402
  978    HG3  ARG 117           HG3      ARG 117  -1.007 -24.534   2.776
  979    HD2  ARG 117           HD2      ARG 117  -1.682 -27.087   4.136
  980    HD3  ARG 117           HD3      ARG 117  -1.137 -25.740   5.135
  981    HE   ARG 117           HE       ARG 117  -3.103 -24.775   3.413
  982   HH11  ARG 117          HH11      ARG 117  -2.817 -27.031   6.056
  983   HH12  ARG 117          HH12      ARG 117  -4.449 -26.809   6.591
  984   HH21  ARG 117          HH21      ARG 117  -5.252 -24.477   4.112
  985   HH22  ARG 117          HH22      ARG 117  -5.833 -25.357   5.485
  Start of MODEL    6
    1    H5'   DT   1           H5'       DT   1 -13.580   6.610  10.544
    2   H5''   DT   1          H5''       DT   1 -12.520   5.544   9.601
    3    H4'   DT   1           H4'       DT   1 -15.141   5.166   9.819
    4    H3'   DT   1           H3'       DT   1 -13.293   4.474   7.570
    5    H2'   DT   1           H2'       DT   1 -15.141   3.867   6.170
    6   H2''   DT   1          H2''       DT   1 -16.258   3.773   7.525
    7    H1'   DT   1           H1'       DT   1 -16.828   5.958   6.891
    8    H3    DT   1           H3        DT   1 -15.660   8.711   3.562
    9    H71   DT   1           H71       DT   1 -11.793   6.161   2.862
   10    H72   DT   1           H72       DT   1 -11.119   7.026   4.264
   11    H73   DT   1           H73       DT   1 -11.567   5.310   4.408
   12    H6    DT   1           H6        DT   1 -13.322   5.324   5.973
   13   HO5'   DT   1          HO5'       DT   1 -13.651   7.452   8.043
   14    H5'   DT   2           H5'       DT   2 -13.698  -1.123   7.942
   15   H5''   DT   2          H5''       DT   2 -12.190  -0.394   8.536
   16    H4'   DT   2           H4'       DT   2 -13.006  -0.202   5.650
   17    H3'   DT   2           H3'       DT   2 -11.843  -2.605   6.987
   18    H2'   DT   2           H2'       DT   2 -10.235  -2.871   5.212
   19   H2''   DT   2          H2''       DT   2 -11.059  -1.717   4.172
   20    H1'   DT   2           H1'       DT   2  -9.414  -0.264   5.175
   21    H3    DT   2           H3        DT   2  -8.346  -0.594  10.046
   22    H71   DT   2           H71       DT   2  -7.141  -4.656   6.727
   23    H72   DT   2           H72       DT   2  -7.923  -5.093   8.265
   24    H73   DT   2           H73       DT   2  -6.281  -4.408   8.264
   25    H6    DT   2           H6        DT   2  -8.545  -2.946   5.914
   26    H5'   DT   3           H5'       DT   3 -13.313  -5.653   2.378
   27   H5''   DT   3          H5''       DT   3 -12.057  -4.703   3.199
   28    H4'   DT   3           H4'       DT   3 -14.166  -3.795   1.262
   29    H3'   DT   3           H3'       DT   3 -11.495  -4.433   0.816
   30    H2'   DT   3           H2'       DT   3 -10.635  -2.484   1.962
   31   H2''   DT   3          H2''       DT   3 -10.794  -1.882   0.317
   32    H1'   DT   3           H1'       DT   3 -13.145  -1.170   0.781
   33    H3    DT   3           H3        DT   3 -13.719   2.455   3.360
   34    H71   DT   3           H71       DT   3  -8.675   0.696   4.017
   35    H72   DT   3           H72       DT   3  -9.566   1.307   5.430
   36    H73   DT   3           H73       DT   3  -9.067   2.427   4.140
   37    H6    DT   3           H6        DT   3 -10.153  -0.650   2.776
   38    H5'   DT   4           H5'       DT   4 -14.670  -3.093  -2.821
   39   H5''   DT   4          H5''       DT   4 -14.167  -3.636  -4.433
   40    H4'   DT   4           H4'       DT   4 -13.785  -1.206  -3.877
   41    H3'   DT   4           H3'       DT   4 -11.589  -2.956  -4.941
   42    H2'   DT   4           H2'       DT   4 -10.065  -1.130  -4.781
   43   H2''   DT   4          H2''       DT   4 -11.352   0.068  -4.745
   44    H1'   DT   4           H1'       DT   4 -11.203   0.031  -2.447
   45    H3    DT   4           H3        DT   4  -6.805  -1.071  -1.663
   46    H71   DT   4           H71       DT   4 -10.149  -5.141  -0.455
   47    H72   DT   4           H72       DT   4  -8.501  -5.537  -0.999
   48    H73   DT   4           H73       DT   4  -8.756  -4.780   0.591
   49    H6    DT   4           H6        DT   4 -10.987  -3.362  -1.670
   50    H5'   DT   5           H5'       DT   5 -13.701  -2.347  -9.417
   51   H5''   DT   5          H5''       DT   5 -12.857  -2.852  -7.937
   52    H4'   DT   5           H4'       DT   5 -11.519  -1.984 -10.500
   53    H3'   DT   5           H3'       DT   5 -12.768  -4.387 -10.312
   54    H2'   DT   5           H2'       DT   5 -11.565  -5.228  -8.413
   55   H2''   DT   5          H2''       DT   5 -10.570  -5.836  -9.728
   56    H1'   DT   5           H1'       DT   5  -9.039  -3.969  -9.594
   57    H3    DT   5           H3        DT   5  -6.365  -4.667  -6.115
   58    H71   DT   5           H71       DT   5  -9.837  -5.163  -3.160
   59    H72   DT   5           H72       DT   5 -11.297  -5.136  -4.178
   60    H73   DT   5           H73       DT   5 -10.597  -3.611  -3.587
   61    H6    DT   5           H6        DT   5 -11.097  -4.260  -6.501
   62    H5'   DT   6           H5'       DT   6  -9.349  -3.665 -12.639
   63   H5''   DT   6          H5''       DT   6  -8.556  -4.312 -14.089
   64    H4'   DT   6           H4'       DT   6  -7.499  -4.162 -11.545
   65    H3'   DT   6           H3'       DT   6  -6.643  -5.583 -14.035
   66   HO3'   DT   6          HO3'       DT   6  -6.082  -3.354 -12.580
   67    H2'   DT   6           H2'       DT   6  -5.020  -6.846 -12.790
   68   H2''   DT   6          H2''       DT   6  -5.145  -5.798 -11.384
   69    H1'   DT   6           H1'       DT   6  -6.661  -7.460 -10.657
   70    H3    DT   6           H3        DT   6  -6.202 -11.162 -13.409
   71    H71   DT   6           H71       DT   6 -10.771  -8.500 -14.344
   72    H72   DT   6           H72       DT   6 -10.516 -10.190 -14.837
   73    H73   DT   6           H73       DT   6  -9.864  -8.866 -15.831
   74    H6    DT   6           H6        DT   6  -9.038  -7.335 -13.179
   75    H1   MET   1           H        MET   1  11.336  -2.437  15.213
   76    H1   MET   1           HT1      MET   1  10.957  -1.365  13.960
   77    H2   MET   1           H2       MET   1  11.516  -2.920  13.602
   78    HA   MET   1           HA       MET   1   9.549  -3.908  14.522
   79    HB2  MET   1           HB2      MET   1   8.800  -1.036  15.086
   80    HB3  MET   1           HB3      MET   1   7.658  -2.371  15.153
   81    HG2  MET   1           HG2      MET   1   9.767  -3.210  16.734
   82    HG3  MET   1           HG3      MET   1   9.604  -1.494  17.102
   83    HE1  MET   1           HE1      MET   1   9.246  -3.214  19.498
   84    HE2  MET   1           HE2      MET   1   8.848  -4.650  18.553
   85    HE3  MET   1           HE3      MET   1   7.710  -4.042  19.756
   86    H    GLU   2           H        GLU   2  10.716  -2.493  12.042
   87    HA   GLU   2           HA       GLU   2   8.212  -2.469  10.493
   88    HB2  GLU   2           HB2      GLU   2   9.672  -1.074   8.846
   89    HB3  GLU   2           HB3      GLU   2   8.965  -0.291  10.251
   90    HG2  GLU   2           HG2      GLU   2  11.546  -1.369  10.904
   91    HG3  GLU   2           HG3      GLU   2  11.650  -0.327   9.486
   92    H    GLU   3           H        GLU   3   8.017  -3.923   8.915
   93    HA   GLU   3           HA       GLU   3  10.317  -5.629   8.331
   94    HB2  GLU   3           HB2      GLU   3   8.801  -7.274   7.615
   95    HB3  GLU   3           HB3      GLU   3   8.040  -6.546   9.022
   96    HG2  GLU   3           HG2      GLU   3   6.890  -5.030   7.209
   97    HG3  GLU   3           HG3      GLU   3   7.278  -6.388   6.153
   98    H    LYS   4           H        LYS   4  10.331  -6.534   6.004
   99    HA   LYS   4           HA       LYS   4  10.400  -4.169   4.193
  100    HB2  LYS   4           HB2      LYS   4  11.682  -5.895   2.749
  101    HB3  LYS   4           HB3      LYS   4  12.481  -5.152   4.127
  102    HG2  LYS   4           HG2      LYS   4  11.065  -7.706   4.596
  103    HG3  LYS   4           HG3      LYS   4  12.558  -7.762   3.659
  104    HD2  LYS   4           HD2      LYS   4  12.648  -6.142   6.121
  105    HD3  LYS   4           HD3      LYS   4  12.460  -7.880   6.356
  106    HE2  LYS   4           HE2      LYS   4  14.413  -7.845   4.492
  107    HE3  LYS   4           HE3      LYS   4  14.755  -6.337   5.339
  108    HZ1  LYS   4           HZ1      LYS   4  14.511  -9.013   6.603
  109    HZ2  LYS   4           HZ2      LYS   4  14.841  -7.567   7.416
  110    HZ3  LYS   4           HZ3      LYS   4  15.959  -8.188   6.309
  111    H    VAL   5           H        VAL   5  10.014  -4.809   1.822
  112    HA   VAL   5           HA       VAL   5   7.295  -5.655   1.603
  113    HB   VAL   5           HB       VAL   5   9.312  -5.084  -0.576
  114   HG11  VAL   5          HG11      VAL   5   7.523  -6.366  -1.499
  115   HG12  VAL   5          HG12      VAL   5   7.273  -4.679  -1.959
  116   HG13  VAL   5          HG13      VAL   5   6.319  -5.389  -0.657
  117   HG21  VAL   5          HG21      VAL   5   7.215  -3.301   0.661
  118   HG22  VAL   5          HG22      VAL   5   8.255  -2.882  -0.701
  119   HG23  VAL   5          HG23      VAL   5   8.959  -3.165   0.891
  120    H    GLY   6           H        GLY   6  10.425  -7.103   0.875
  121    HA2  GLY   6           HA2      GLY   6   9.307  -9.387  -0.463
  122    HA3  GLY   6           HA3      GLY   6  10.980  -9.184   0.036
  123    H    ASN   7           H        ASN   7   9.068  -8.553   2.670
  124    HA   ASN   7           HA       ASN   7   9.089 -11.363   3.543
  125    HB2  ASN   7           HB2      ASN   7  10.921  -9.716   4.449
  126    HB3  ASN   7           HB3      ASN   7   9.619  -9.158   5.491
  127   HD21  ASN   7          HD21      ASN   7  10.099  -9.941   7.414
  128   HD22  ASN   7          HD22      ASN   7  10.446 -11.564   7.770
  129    H    LEU   8           H        LEU   8   7.173  -8.802   2.868
  130    HA   LEU   8           HA       LEU   8   5.432  -8.851   5.161
  131    HB2  LEU   8           HB2      LEU   8   4.334  -7.120   4.187
  132    HB3  LEU   8           HB3      LEU   8   5.840  -6.996   3.301
  133    HG   LEU   8           HG       LEU   8   4.456  -8.689   1.691
  134   HD11  LEU   8          HD11      LEU   8   2.310  -8.753   2.319
  135   HD12  LEU   8          HD12      LEU   8   2.222  -7.075   1.673
  136   HD13  LEU   8          HD13      LEU   8   2.523  -7.355   3.408
  137   HD21  LEU   8          HD21      LEU   8   5.625  -6.807   0.849
  138   HD22  LEU   8          HD22      LEU   8   4.558  -5.686   1.697
  139   HD23  LEU   8          HD23      LEU   8   3.942  -6.639   0.347
  140    H    LYS   9           H        LYS   9   3.246  -9.663   5.170
  141    HA   LYS   9           HA       LYS   9   2.525 -11.541   3.124
  142    HB2  LYS   9           HB2      LYS   9   1.974 -13.103   4.642
  143    HB3  LYS   9           HB3      LYS   9   3.545 -12.614   5.033
  144    HG2  LYS   9           HG2      LYS   9   2.881 -12.137   7.133
  145    HG3  LYS   9           HG3      LYS   9   1.617 -11.122   6.485
  146    HD2  LYS   9           HD2      LYS   9   0.267 -12.638   7.511
  147    HD3  LYS   9           HD3      LYS   9   0.526 -13.529   6.009
  148    HE2  LYS   9           HE2      LYS   9   1.310 -15.195   7.262
  149    HE3  LYS   9           HE3      LYS   9   2.719 -14.183   7.575
  150    HZ1  LYS   9           HZ1      LYS   9   1.602 -13.303   9.532
  151    HZ2  LYS   9           HZ2      LYS   9   1.744 -14.986   9.627
  152    HZ3  LYS   9           HZ3      LYS   9   0.257 -14.285   9.234
  153    HA   PRO  10           HA       PRO  10  -1.400  -9.537   3.414
  154    HB2  PRO  10           HB2      PRO  10  -3.057 -11.402   2.416
  155    HB3  PRO  10           HB3      PRO  10  -1.883 -10.557   1.435
  156    HG2  PRO  10           HG2      PRO  10  -1.743 -13.298   2.603
  157    HG3  PRO  10           HG3      PRO  10  -1.222 -12.756   0.997
  158    HD2  PRO  10           HD2      PRO  10   0.563 -13.080   3.089
  159    HD3  PRO  10           HD3      PRO  10   0.783 -12.000   1.747
  160    H    ASN  11           H        ASN  11  -3.571  -9.715   4.315
  161    HA   ASN  11           HA       ASN  11  -5.113 -10.220   5.940
  162    HB2  ASN  11           HB2      ASN  11  -3.705 -12.776   5.590
  163    HB3  ASN  11           HB3      ASN  11  -4.470 -12.581   7.164
  164   HD21  ASN  11          HD21      ASN  11  -5.018 -12.560   3.697
  165   HD22  ASN  11          HD22      ASN  11  -6.725 -12.934   3.779
  166    H    MET  12           H        MET  12  -2.495  -8.846   6.542
  167    HA   MET  12           HA       MET  12  -2.347  -9.377   9.383
  168    HB2  MET  12           HB2      MET  12  -0.487  -7.917   7.504
  169    HB3  MET  12           HB3      MET  12  -0.291  -8.027   9.199
  170    HG2  MET  12           HG2      MET  12  -0.553 -10.639   8.572
  171    HG3  MET  12           HG3      MET  12   0.229  -9.965   7.153
  172    HE1  MET  12           HE1      MET  12   2.624  -9.137   6.996
  173    HE2  MET  12           HE2      MET  12   3.647  -8.759   8.403
  174    HE3  MET  12           HE3      MET  12   2.210  -7.792   8.072
  175    H    GLU  13           H        GLU  13  -3.237  -7.996  10.769
  176    HA   GLU  13           HA       GLU  13  -4.436  -5.558   9.778
  177    HB2  GLU  13           HB2      GLU  13  -4.450  -6.137  12.684
  178    HB3  GLU  13           HB3      GLU  13  -5.753  -5.597  11.636
  179    HG2  GLU  13           HG2      GLU  13  -5.491  -8.051  10.671
  180    HG3  GLU  13           HG3      GLU  13  -4.852  -8.343  12.288
  181    H    SER  14           H        SER  14  -1.417  -6.065  10.240
  182    HA   SER  14           HA       SER  14  -0.849  -3.378  11.103
  183    HB2  SER  14           HB2      SER  14   0.886  -4.334  12.807
  184    HB3  SER  14           HB3      SER  14  -0.800  -4.182  13.294
  185    HG   SER  14           HG       SER  14   0.471  -6.537  12.355
  186    H    VAL  15           H        VAL  15   0.544  -2.716   9.608
  187    HA   VAL  15           HA       VAL  15   2.820  -4.434   8.936
  188    HB   VAL  15           HB       VAL  15   1.703  -2.944   6.644
  189   HG11  VAL  15          HG11      VAL  15   2.414  -4.960   5.443
  190   HG12  VAL  15          HG12      VAL  15   2.821  -5.725   6.979
  191   HG13  VAL  15          HG13      VAL  15   3.709  -4.299   6.441
  192   HG21  VAL  15          HG21      VAL  15  -0.170  -4.169   6.242
  193   HG22  VAL  15          HG22      VAL  15  -0.204  -4.211   8.007
  194   HG23  VAL  15          HG23      VAL  15   0.435  -5.585   7.103
  195    H    ASN  16           H        ASN  16   4.519  -3.286   9.515
  196    HA   ASN  16           HA       ASN  16   4.588  -0.393   9.004
  197    HB2  ASN  16           HB2      ASN  16   5.240  -1.885  11.260
  198    HB3  ASN  16           HB3      ASN  16   6.743  -1.289  10.586
  199   HD21  ASN  16          HD21      ASN  16   6.345   1.100   9.729
  200   HD22  ASN  16          HD22      ASN  16   5.700   2.143  10.968
  201    H    VAL  17           H        VAL  17   5.930   0.372   7.451
  202    HA   VAL  17           HA       VAL  17   8.353  -1.047   6.782
  203    HB   VAL  17           HB       VAL  17   6.988  -2.439   5.544
  204   HG11  VAL  17          HG11      VAL  17   5.024  -0.741   5.776
  205   HG12  VAL  17          HG12      VAL  17   5.029  -1.918   4.442
  206   HG13  VAL  17          HG13      VAL  17   5.525  -0.254   4.141
  207   HG21  VAL  17          HG21      VAL  17   8.839  -1.740   4.171
  208   HG22  VAL  17          HG22      VAL  17   7.984  -0.274   3.693
  209   HG23  VAL  17          HG23      VAL  17   7.418  -1.846   3.131
  210    H    THR  18           H        THR  18   9.711   0.081   5.343
  211    HA   THR  18           HA       THR  18   8.973   2.885   4.847
  212    HB   THR  18           HB       THR  18  11.853   2.259   4.887
  213    HG1  THR  18           HG1      THR  18  11.823   2.312   7.257
  214   HG21  THR  18          HG21      THR  18  10.055   4.481   5.418
  215   HG22  THR  18          HG22      THR  18  11.765   4.496   4.942
  216   HG23  THR  18          HG23      THR  18  11.310   4.326   6.651
  217    H    VAL  19           H        VAL  19   9.130   3.547   2.707
  218    HA   VAL  19           HA       VAL  19  10.661   2.088   0.833
  219    HB   VAL  19           HB       VAL  19   8.793   1.665  -0.728
  220   HG11  VAL  19          HG11      VAL  19   9.516  -0.172   0.548
  221   HG12  VAL  19          HG12      VAL  19   7.722  -0.092   0.390
  222   HG13  VAL  19          HG13      VAL  19   8.556   0.419   1.960
  223   HG21  VAL  19          HG21      VAL  19   7.142   3.218  -0.104
  224   HG22  VAL  19          HG22      VAL  19   7.159   2.684   1.576
  225   HG23  VAL  19          HG23      VAL  19   6.470   1.644   0.330
  226    H    ARG  20           H        ARG  20  10.018   3.027  -1.467
  227    HA   ARG  20           HA       ARG  20   9.811   5.897  -1.185
  228    HB2  ARG  20           HB2      ARG  20  12.024   4.891  -1.914
  229    HB3  ARG  20           HB3      ARG  20  11.266   4.489  -3.417
  230    HG2  ARG  20           HG2      ARG  20  11.966   6.547  -4.090
  231    HG3  ARG  20           HG3      ARG  20  10.696   7.197  -3.051
  232    HD2  ARG  20           HD2      ARG  20  12.237   7.342  -1.196
  233    HD3  ARG  20           HD3      ARG  20  13.506   6.579  -2.152
  234    HE   ARG  20           HE       ARG  20  12.395   9.261  -2.664
  235   HH11  ARG  20          HH11      ARG  20  14.984   6.931  -2.867
  236   HH12  ARG  20          HH12      ARG  20  16.112   8.055  -3.547
  237   HH21  ARG  20          HH21      ARG  20  13.876  10.744  -3.559
  238   HH22  ARG  20          HH22      ARG  20  15.483  10.222  -3.940
  239    H    VAL  21           H        VAL  21   8.705   7.084  -2.868
  240    HA   VAL  21           HA       VAL  21   6.378   5.633  -3.837
  241    HB   VAL  21           HB       VAL  21   7.281   8.485  -4.600
  242   HG11  VAL  21          HG11      VAL  21   4.892   8.832  -4.968
  243   HG12  VAL  21          HG12      VAL  21   4.608   7.126  -4.623
  244   HG13  VAL  21          HG13      VAL  21   5.557   7.596  -6.033
  245   HG21  VAL  21          HG21      VAL  21   5.904   9.262  -2.766
  246   HG22  VAL  21          HG22      VAL  21   7.229   8.255  -2.181
  247   HG23  VAL  21          HG23      VAL  21   5.598   7.593  -2.285
  248    H    LEU  22           H        LEU  22   6.150   4.684  -5.732
  249    HA   LEU  22           HA       LEU  22   8.170   5.038  -7.820
  250    HB2  LEU  22           HB2      LEU  22   6.175   2.796  -7.569
  251    HB3  LEU  22           HB3      LEU  22   7.582   2.859  -8.569
  252    HG   LEU  22           HG       LEU  22   7.532   2.584  -5.594
  253   HD11  LEU  22          HD11      LEU  22   8.682   0.738  -7.671
  254   HD12  LEU  22          HD12      LEU  22   7.061   0.568  -6.998
  255   HD13  LEU  22          HD13      LEU  22   8.469   0.430  -5.947
  256   HD21  LEU  22          HD21      LEU  22   9.995   2.674  -7.322
  257   HD22  LEU  22          HD22      LEU  22   9.882   2.656  -5.561
  258   HD23  LEU  22          HD23      LEU  22   9.370   4.081  -6.456
  259    H    GLU  23           H        GLU  23   4.874   5.388  -7.006
  260    HA   GLU  23           HA       GLU  23   4.348   6.912  -9.432
  261    HB2  GLU  23           HB2      GLU  23   4.003   4.352  -9.918
  262    HB3  GLU  23           HB3      GLU  23   2.495   4.592  -9.044
  263    HG2  GLU  23           HG2      GLU  23   1.620   5.193 -10.994
  264    HG3  GLU  23           HG3      GLU  23   2.533   6.691 -10.827
  265    H    ALA  24           H        ALA  24   2.031   7.726  -9.438
  266    HA   ALA  24           HA       ALA  24   0.563   7.587  -6.983
  267    HB1  ALA  24           HB1      ALA  24   1.976  10.173  -7.646
  268    HB2  ALA  24           HB2      ALA  24   2.357   9.100  -6.298
  269    HB3  ALA  24           HB3      ALA  24   0.805   9.937  -6.347
  270    H    SER  25           H        SER  25  -1.520   7.866  -7.435
  271    HA   SER  25           HA       SER  25  -2.220   9.321  -9.906
  272    HB2  SER  25           HB2      SER  25  -2.754   6.703  -9.380
  273    HB3  SER  25           HB3      SER  25  -4.223   7.469  -8.777
  274    HG   SER  25           HG       SER  25  -3.832   6.860 -11.203
  275    H    GLU  26           H        GLU  26  -4.139  10.616  -9.885
  276    HA   GLU  26           HA       GLU  26  -4.462  12.137  -7.541
  277    HB2  GLU  26           HB2      GLU  26  -6.374  12.053  -9.874
  278    HB3  GLU  26           HB3      GLU  26  -6.091  13.370  -8.760
  279    HG2  GLU  26           HG2      GLU  26  -3.992  12.335 -10.626
  280    HG3  GLU  26           HG3      GLU  26  -5.091  13.651 -11.032
  281    H    ALA  27           H        ALA  27  -6.386  12.451  -6.317
  282    HA   ALA  27           HA       ALA  27  -7.435   9.918  -5.501
  283    HB1  ALA  27           HB1      ALA  27  -8.277  11.174  -3.593
  284    HB2  ALA  27           HB2      ALA  27  -7.818  12.681  -4.390
  285    HB3  ALA  27           HB3      ALA  27  -6.559  11.511  -3.922
  286    H    ARG  28           H        ARG  28  -9.292   9.020  -5.918
  287    HA   ARG  28           HA       ARG  28 -11.436  10.613  -7.165
  288    HB2  ARG  28           HB2      ARG  28 -11.544   9.214  -8.939
  289    HB3  ARG  28           HB3      ARG  28  -9.932   8.713  -8.455
  290    HG2  ARG  28           HG2      ARG  28 -11.827   7.200  -6.961
  291    HG3  ARG  28           HG3      ARG  28 -12.285   7.150  -8.661
  292    HD2  ARG  28           HD2      ARG  28 -10.017   6.403  -9.236
  293    HD3  ARG  28           HD3      ARG  28  -9.579   6.439  -7.527
  294    HE   ARG  28           HE       ARG  28 -11.868   4.791  -8.127
  295   HH11  ARG  28          HH11      ARG  28  -8.388   4.873  -7.857
  296   HH12  ARG  28          HH12      ARG  28  -8.243   3.168  -7.590
  297   HH21  ARG  28          HH21      ARG  28 -11.680   2.546  -7.766
  298   HH22  ARG  28          HH22      ARG  28 -10.112   1.845  -7.540
  299    H    GLN  29           H        GLN  29 -13.571   9.299  -7.154
  300    HA   GLN  29           HA       GLN  29 -14.039   8.315  -4.434
  301    HB2  GLN  29           HB2      GLN  29 -15.921   9.308  -6.584
  302    HB3  GLN  29           HB3      GLN  29 -16.464   8.619  -5.061
  303    HG2  GLN  29           HG2      GLN  29 -15.211  10.399  -3.888
  304    HG3  GLN  29           HG3      GLN  29 -14.867  11.130  -5.449
  305   HE21  GLN  29          HE21      GLN  29 -17.348  10.400  -3.109
  306   HE22  GLN  29          HE22      GLN  29 -18.544  11.473  -3.745
  307    H    ILE  30           H        ILE  30 -14.891   6.304  -4.026
  308    HA   ILE  30           HA       ILE  30 -15.418   4.576  -6.350
  309    HB   ILE  30           HB       ILE  30 -14.364   2.712  -5.325
  310   HG12  ILE  30          HG12      ILE  30 -13.691   4.309  -2.879
  311   HG13  ILE  30          HG13      ILE  30 -15.241   3.476  -3.024
  312   HG21  ILE  30          HG21      ILE  30 -12.688   5.196  -5.062
  313   HG22  ILE  30          HG22      ILE  30 -12.671   3.989  -6.350
  314   HG23  ILE  30          HG23      ILE  30 -12.025   3.586  -4.753
  315   HD11  ILE  30          HD11      ILE  30 -14.141   1.351  -3.208
  316   HD12  ILE  30          HD12      ILE  30 -13.499   2.192  -1.796
  317   HD13  ILE  30          HD13      ILE  30 -12.560   2.127  -3.287
  318    H    GLN  31           H        GLN  31 -16.889   2.786  -5.842
  319    HA   GLN  31           HA       GLN  31 -18.830   3.519  -3.765
  320    HB2  GLN  31           HB2      GLN  31 -19.202   2.265  -6.478
  321    HB3  GLN  31           HB3      GLN  31 -20.447   2.182  -5.241
  322    HG2  GLN  31           HG2      GLN  31 -20.567   4.609  -5.178
  323    HG3  GLN  31           HG3      GLN  31 -19.285   4.713  -6.384
  324   HE21  GLN  31          HE21      GLN  31 -19.731   4.176  -8.518
  325   HE22  GLN  31          HE22      GLN  31 -21.344   4.035  -9.117
  326    H    THR  32           H        THR  32 -18.730   2.224  -2.067
  327    HA   THR  32           HA       THR  32 -18.101  -0.628  -2.475
  328    HB   THR  32           HB       THR  32 -17.409  -0.740  -0.159
  329    HG1  THR  32           HG1      THR  32 -18.475   1.854  -0.121
  330   HG21  THR  32          HG21      THR  32 -16.211   1.264  -1.990
  331   HG22  THR  32          HG22      THR  32 -15.544  -0.249  -1.380
  332   HG23  THR  32          HG23      THR  32 -15.584   1.182  -0.340
  333    H    LYS  33           H        LYS  33 -18.943  -1.742  -0.210
  334    HA   LYS  33           HA       LYS  33 -21.803  -1.755  -0.560
  335    HB2  LYS  33           HB2      LYS  33 -21.772  -3.685   0.934
  336    HB3  LYS  33           HB3      LYS  33 -20.551  -3.859  -0.318
  337    HG2  LYS  33           HG2      LYS  33 -18.799  -3.323   1.195
  338    HG3  LYS  33           HG3      LYS  33 -19.948  -2.835   2.442
  339    HD2  LYS  33           HD2      LYS  33 -20.807  -5.203   2.420
  340    HD3  LYS  33           HD3      LYS  33 -19.431  -5.610   1.392
  341    HE2  LYS  33           HE2      LYS  33 -17.896  -4.846   3.127
  342    HE3  LYS  33           HE3      LYS  33 -19.260  -4.390   4.147
  343    HZ1  LYS  33           HZ1      LYS  33 -18.547  -7.137   3.271
  344    HZ2  LYS  33           HZ2      LYS  33 -19.943  -6.743   4.140
  345    HZ3  LYS  33           HZ3      LYS  33 -18.420  -6.510   4.838
  346    H    ASN  34           H        ASN  34 -19.656  -0.021   1.293
  347    HA   ASN  34           HA       ASN  34 -21.619   0.375   3.458
  348    HB2  ASN  34           HB2      ASN  34 -18.637   0.887   3.436
  349    HB3  ASN  34           HB3      ASN  34 -19.711   1.333   4.758
  350   HD21  ASN  34          HD21      ASN  34 -20.659  -0.294   6.012
  351   HD22  ASN  34          HD22      ASN  34 -20.016  -1.896   6.050
  352    H    GLY  35           H        GLY  35 -21.005   1.654   0.624
  353    HA2  GLY  35           HA2      GLY  35 -22.210   3.763   0.181
  354    HA3  GLY  35           HA3      GLY  35 -21.395   4.424   1.590
  355    H    VAL  36           H        VAL  36 -20.692   6.142   0.142
  356    HA   VAL  36           HA       VAL  36 -18.596   5.278  -1.712
  357    HB   VAL  36           HB       VAL  36 -20.315   6.659  -2.730
  358   HG11  VAL  36          HG11      VAL  36 -20.638   8.988  -2.139
  359   HG12  VAL  36          HG12      VAL  36 -19.420   8.866  -0.870
  360   HG13  VAL  36          HG13      VAL  36 -20.935   7.974  -0.726
  361   HG21  VAL  36          HG21      VAL  36 -17.691   8.121  -2.526
  362   HG22  VAL  36          HG22      VAL  36 -18.880   8.273  -3.821
  363   HG23  VAL  36          HG23      VAL  36 -18.029   6.745  -3.578
  364    H    ARG  37           H        ARG  37 -16.581   5.895  -1.589
  365    HA   ARG  37           HA       ARG  37 -15.620   7.657   0.548
  366    HB2  ARG  37           HB2      ARG  37 -13.833   6.086   0.889
  367    HB3  ARG  37           HB3      ARG  37 -15.356   5.685   1.609
  368    HG2  ARG  37           HG2      ARG  37 -14.739   4.543  -1.066
  369    HG3  ARG  37           HG3      ARG  37 -13.975   3.833   0.354
  370    HD2  ARG  37           HD2      ARG  37 -16.888   4.376   0.420
  371    HD3  ARG  37           HD3      ARG  37 -16.310   2.988  -0.494
  372    HE   ARG  37           HE       ARG  37 -15.397   2.100   1.560
  373   HH11  ARG  37          HH11      ARG  37 -17.614   4.785   1.911
  374   HH12  ARG  37          HH12      ARG  37 -17.975   4.431   3.566
  375   HH21  ARG  37          HH21      ARG  37 -15.866   1.649   3.739
  376   HH22  ARG  37          HH22      ARG  37 -16.982   2.651   4.604
  377    H    THR  38           H        THR  38 -13.231   8.088   0.239
  378    HA   THR  38           HA       THR  38 -12.806   8.471  -2.654
  379    HB   THR  38           HB       THR  38 -11.440  10.531  -1.764
  380    HG1  THR  38           HG1      THR  38 -11.730  10.756   0.323
  381   HG21  THR  38          HG21      THR  38 -14.447  10.560  -1.963
  382   HG22  THR  38          HG22      THR  38 -13.318  10.701  -3.311
  383   HG23  THR  38          HG23      THR  38 -13.399  11.973  -2.091
  384    H    ILE  39           H        ILE  39 -11.247   7.185  -3.219
  385    HA   ILE  39           HA       ILE  39  -8.854   7.118  -1.520
  386    HB   ILE  39           HB       ILE  39  -8.579   4.732  -2.144
  387   HG12  ILE  39          HG12      ILE  39 -11.459   4.507  -2.715
  388   HG13  ILE  39          HG13      ILE  39 -10.483   5.199  -4.012
  389   HG21  ILE  39          HG21      ILE  39  -9.456   4.326  -0.159
  390   HG22  ILE  39          HG22      ILE  39 -11.088   4.498  -0.805
  391   HG23  ILE  39          HG23      ILE  39 -10.222   5.909  -0.215
  392   HD11  ILE  39          HD11      ILE  39  -8.962   3.106  -3.429
  393   HD12  ILE  39          HD12      ILE  39 -10.329   2.989  -4.531
  394   HD13  ILE  39          HD13      ILE  39 -10.505   2.477  -2.853
  395    H    SER  40           H        SER  40  -7.023   6.098  -2.712
  396    HA   SER  40           HA       SER  40  -7.080   6.492  -5.587
  397    HB2  SER  40           HB2      SER  40  -6.460   8.700  -4.512
  398    HB3  SER  40           HB3      SER  40  -5.006   7.888  -3.901
  399    HG   SER  40           HG       SER  40  -5.368   8.965  -6.273
  400    H    GLU  41           H        GLU  41  -4.925   5.866  -6.531
  401    HA   GLU  41           HA       GLU  41  -3.762   3.731  -4.916
  402    HB2  GLU  41           HB2      GLU  41  -5.331   3.181  -6.942
  403    HB3  GLU  41           HB3      GLU  41  -3.927   3.602  -7.906
  404    HG2  GLU  41           HG2      GLU  41  -3.032   1.818  -5.923
  405    HG3  GLU  41           HG3      GLU  41  -4.543   1.161  -6.554
  406    H    ALA  42           H        ALA  42  -1.575   3.514  -4.919
  407    HA   ALA  42           HA       ALA  42   0.075   5.129  -6.712
  408    HB1  ALA  42           HB1      ALA  42  -0.475   6.611  -4.827
  409    HB2  ALA  42           HB2      ALA  42   1.245   6.233  -4.907
  410    HB3  ALA  42           HB3      ALA  42   0.222   5.433  -3.714
  411    H    ILE  43           H        ILE  43   1.878   4.048  -7.237
  412    HA   ILE  43           HA       ILE  43   2.431   1.511  -5.972
  413    HB   ILE  43           HB       ILE  43   3.892   2.826  -8.266
  414   HG12  ILE  43          HG12      ILE  43   1.579   2.622  -8.896
  415   HG13  ILE  43          HG13      ILE  43   2.476   1.341  -9.703
  416   HG21  ILE  43          HG21      ILE  43   4.698   0.643  -8.812
  417   HG22  ILE  43          HG22      ILE  43   3.710  -0.093  -7.551
  418   HG23  ILE  43          HG23      ILE  43   5.060   0.952  -7.114
  419   HD11  ILE  43          HD11      ILE  43   1.729  -0.209  -7.894
  420   HD12  ILE  43          HD12      ILE  43   0.432   0.432  -8.907
  421   HD13  ILE  43          HD13      ILE  43   0.702   1.097  -7.296
  422    H    VAL  44           H        VAL  44   3.954   1.136  -4.536
  423    HA   VAL  44           HA       VAL  44   6.299   2.860  -4.179
  424    HB   VAL  44           HB       VAL  44   6.069   1.705  -1.626
  425   HG11  VAL  44          HG11      VAL  44   5.087   4.209  -2.877
  426   HG12  VAL  44          HG12      VAL  44   5.570   3.951  -1.193
  427   HG13  VAL  44          HG13      VAL  44   3.890   3.611  -1.711
  428   HG21  VAL  44          HG21      VAL  44   4.073   0.512  -2.555
  429   HG22  VAL  44          HG22      VAL  44   3.333   2.112  -2.797
  430   HG23  VAL  44          HG23      VAL  44   3.725   1.554  -1.164
  431    H    GLY  45           H        GLY  45   7.947   1.774  -3.027
  432    HA2  GLY  45           HA2      GLY  45   7.991  -0.884  -2.339
  433    HA3  GLY  45           HA3      GLY  45   8.531  -0.869  -4.010
  434    H    ASP  46           H        ASP  46  10.220  -1.880  -2.216
  435    HA   ASP  46           HA       ASP  46  12.277   0.210  -1.961
  436    HB2  ASP  46           HB2      ASP  46  13.090  -0.960   0.083
  437    HB3  ASP  46           HB3      ASP  46  11.479  -0.280   0.272
  438    H    GLU  47           H        GLU  47  14.342  -1.426  -1.118
  439    HA   GLU  47           HA       GLU  47  15.111  -2.641  -3.578
  440    HB2  GLU  47           HB2      GLU  47  17.187  -3.281  -2.256
  441    HB3  GLU  47           HB3      GLU  47  16.846  -1.563  -2.402
  442    HG2  GLU  47           HG2      GLU  47  16.667  -1.312  -0.200
  443    HG3  GLU  47           HG3      GLU  47  15.627  -2.726  -0.043
  444    H    THR  48           H        THR  48  13.125  -3.783  -1.227
  445    HA   THR  48           HA       THR  48  14.097  -6.549  -1.454
  446    HB   THR  48           HB       THR  48  12.952  -7.063   0.503
  447    HG1  THR  48           HG1      THR  48  11.096  -5.474  -0.434
  448   HG21  THR  48          HG21      THR  48  14.824  -5.320   0.725
  449   HG22  THR  48          HG22      THR  48  13.758  -5.565   2.108
  450   HG23  THR  48          HG23      THR  48  13.524  -4.171   1.051
  451    H    GLY  49           H        GLY  49  12.063  -4.599  -3.133
  452    HA2  GLY  49           HA2      GLY  49  10.918  -6.227  -4.825
  453    HA3  GLY  49           HA3      GLY  49   9.931  -6.577  -3.417
  454    H    ARG  50           H        ARG  50   8.055  -5.835  -4.320
  455    HA   ARG  50           HA       ARG  50   7.648  -3.008  -4.218
  456    HB2  ARG  50           HB2      ARG  50   8.424  -3.228  -6.506
  457    HB3  ARG  50           HB3      ARG  50   7.292  -4.545  -6.791
  458    HG2  ARG  50           HG2      ARG  50   5.548  -2.719  -6.041
  459    HG3  ARG  50           HG3      ARG  50   6.817  -1.639  -6.615
  460    HD2  ARG  50           HD2      ARG  50   5.901  -3.959  -8.275
  461    HD3  ARG  50           HD3      ARG  50   4.988  -2.456  -8.258
  462    HE   ARG  50           HE       ARG  50   7.829  -2.293  -8.857
  463   HH11  ARG  50          HH11      ARG  50   4.547  -2.245 -10.021
  464   HH12  ARG  50          HH12      ARG  50   4.962  -1.539 -11.546
  465   HH21  ARG  50          HH21      ARG  50   8.388  -1.363 -10.863
  466   HH22  ARG  50          HH22      ARG  50   7.146  -1.038 -12.026
  467    H    VAL  51           H        VAL  51   5.564  -2.519  -3.868
  468    HA   VAL  51           HA       VAL  51   3.478  -4.507  -4.071
  469    HB   VAL  51           HB       VAL  51   4.310  -4.997  -1.871
  470   HG11  VAL  51          HG11      VAL  51   4.042  -2.048  -1.279
  471   HG12  VAL  51          HG12      VAL  51   5.553  -2.941  -1.448
  472   HG13  VAL  51          HG13      VAL  51   4.464  -3.296  -0.107
  473   HG21  VAL  51          HG21      VAL  51   1.848  -3.289  -1.744
  474   HG22  VAL  51          HG22      VAL  51   2.346  -4.439  -0.502
  475   HG23  VAL  51          HG23      VAL  51   1.914  -5.009  -2.116
  476    H    LYS  52           H        LYS  52   1.592  -3.596  -4.653
  477    HA   LYS  52           HA       LYS  52   1.393  -0.839  -5.200
  478    HB2  LYS  52           HB2      LYS  52  -1.015  -2.610  -4.960
  479    HB3  LYS  52           HB3      LYS  52  -0.704  -1.319  -6.112
  480    HG2  LYS  52           HG2      LYS  52   1.298  -3.242  -6.534
  481    HG3  LYS  52           HG3      LYS  52  -0.217  -4.128  -6.360
  482    HD2  LYS  52           HD2      LYS  52  -1.225  -2.938  -8.141
  483    HD3  LYS  52           HD3      LYS  52   0.075  -1.743  -8.172
  484    HE2  LYS  52           HE2      LYS  52   0.337  -3.268 -10.027
  485    HE3  LYS  52           HE3      LYS  52   1.648  -3.520  -8.872
  486    HZ1  LYS  52           HZ1      LYS  52   0.470  -5.440  -8.005
  487    HZ2  LYS  52           HZ2      LYS  52   0.726  -5.616  -9.668
  488    HZ3  LYS  52           HZ3      LYS  52  -0.805  -5.190  -9.089
  489    H    LEU  53           H        LEU  53   0.698   0.848  -4.000
  490    HA   LEU  53           HA       LEU  53  -0.348   0.307  -1.310
  491    HB2  LEU  53           HB2      LEU  53   1.746   1.741  -1.768
  492    HB3  LEU  53           HB3      LEU  53   0.626   2.970  -2.308
  493    HG   LEU  53           HG       LEU  53   1.523   3.116   0.088
  494   HD11  LEU  53          HD11      LEU  53  -0.315   4.490  -0.723
  495   HD12  LEU  53          HD12      LEU  53  -0.577   3.995   0.949
  496   HD13  LEU  53          HD13      LEU  53  -1.457   3.195  -0.354
  497   HD21  LEU  53          HD21      LEU  53   0.340   1.848   1.772
  498   HD22  LEU  53          HD22      LEU  53   1.177   0.761   0.664
  499   HD23  LEU  53          HD23      LEU  53  -0.565   0.992   0.526
  500    H    THR  54           H        THR  54  -2.223   1.104  -0.617
  501    HA   THR  54           HA       THR  54  -3.882   2.639  -2.454
  502    HB   THR  54           HB       THR  54  -5.325   0.767  -0.675
  503    HG1  THR  54           HG1      THR  54  -4.122  -0.119  -3.114
  504   HG21  THR  54          HG21      THR  54  -5.608   2.153  -3.274
  505   HG22  THR  54          HG22      THR  54  -6.786   1.948  -1.981
  506   HG23  THR  54          HG23      THR  54  -6.453   0.625  -3.096
  507    H    LEU  55           H        LEU  55  -4.209   4.482  -1.577
  508    HA   LEU  55           HA       LEU  55  -4.161   4.952   1.256
  509    HB2  LEU  55           HB2      LEU  55  -4.941   6.930  -0.810
  510    HB3  LEU  55           HB3      LEU  55  -4.033   7.182   0.649
  511    HG   LEU  55           HG       LEU  55  -2.580   5.401  -1.049
  512   HD11  LEU  55          HD11      LEU  55  -2.153   7.515  -2.646
  513   HD12  LEU  55          HD12      LEU  55  -3.878   7.662  -2.336
  514   HD13  LEU  55          HD13      LEU  55  -3.241   6.181  -3.034
  515   HD21  LEU  55          HD21      LEU  55  -1.637   6.777   0.753
  516   HD22  LEU  55          HD22      LEU  55  -1.981   8.222  -0.202
  517   HD23  LEU  55          HD23      LEU  55  -0.826   7.027  -0.793
  518    H    TRP  56           H        TRP  56  -5.934   5.983   2.411
  519    HA   TRP  56           HA       TRP  56  -8.543   5.564   1.133
  520    HB2  TRP  56           HB2      TRP  56  -7.566   4.546   3.765
  521    HB3  TRP  56           HB3      TRP  56  -9.283   4.787   3.499
  522    HD1  TRP  56           HD1      TRP  56  -6.377   2.497   2.529
  523    HE1  TRP  56           HE1      TRP  56  -7.261   0.517   1.175
  524    HE3  TRP  56           HE3      TRP  56 -11.238   4.055   1.888
  525    HZ2  TRP  56           HZ2      TRP  56  -9.749  -0.302   0.034
  526    HZ3  TRP  56           HZ3      TRP  56 -12.775   2.606   0.654
  527    HH2  TRP  56           HH2      TRP  56 -12.052   0.481  -0.251
  528    H    GLY  57           H        GLY  57  -9.848   7.150   1.165
  529    HA2  GLY  57           HA2      GLY  57 -10.976   9.043   1.648
  530    HA3  GLY  57           HA3      GLY  57 -10.494   8.846   3.304
  531    H    LYS  58           H        LYS  58  -8.697  10.083   4.079
  532    HA   LYS  58           HA       LYS  58  -8.153  12.421   2.467
  533    HB2  LYS  58           HB2      LYS  58  -6.712  12.988   4.604
  534    HB3  LYS  58           HB3      LYS  58  -8.460  13.155   4.603
  535    HG2  LYS  58           HG2      LYS  58  -7.928  12.107   6.627
  536    HG3  LYS  58           HG3      LYS  58  -8.537  10.819   5.589
  537    HD2  LYS  58           HD2      LYS  58  -5.904  10.709   5.009
  538    HD3  LYS  58           HD3      LYS  58  -5.837  11.261   6.683
  539    HE2  LYS  58           HE2      LYS  58  -7.542   8.937   5.867
  540    HE3  LYS  58           HE3      LYS  58  -5.826   8.738   6.221
  541    HZ1  LYS  58           HZ1      LYS  58  -7.154   8.297   8.178
  542    HZ2  LYS  58           HZ2      LYS  58  -7.887   9.819   8.074
  543    HZ3  LYS  58           HZ3      LYS  58  -6.237   9.699   8.424
  544    H    HIS  59           H        HIS  59  -6.462   9.500   3.254
  545    HA   HIS  59           HA       HIS  59  -3.839  10.432   2.666
  546    HB2  HIS  59           HB2      HIS  59  -5.124   7.729   2.939
  547    HB3  HIS  59           HB3      HIS  59  -3.500   7.877   2.282
  548    HD2  HIS  59           HD2      HIS  59  -4.843   7.008   5.559
  549    HE1  HIS  59           HE1      HIS  59  -1.473   9.438   6.446
  550    HE2  HIS  59           HE2      HIS  59  -3.157   7.785   7.330
  551    H    ALA  60           H        ALA  60  -6.568   9.497   0.818
  552    HA   ALA  60           HA       ALA  60  -5.438   8.568  -1.540
  553    HB1  ALA  60           HB1      ALA  60  -7.548   8.514  -2.239
  554    HB2  ALA  60           HB2      ALA  60  -7.749  10.254  -2.002
  555    HB3  ALA  60           HB3      ALA  60  -7.979   9.146  -0.645
  556    H    GLY  61           H        GLY  61  -4.188   9.467  -3.032
  557    HA2  GLY  61           HA2      GLY  61  -3.066  11.038  -4.248
  558    HA3  GLY  61           HA3      GLY  61  -4.511  11.981  -4.129
  559    H    SER  62           H        SER  62  -3.380  11.348  -1.048
  560    HA   SER  62           HA       SER  62  -2.534  14.099  -0.749
  561    HB2  SER  62           HB2      SER  62  -3.929  13.335   1.003
  562    HB3  SER  62           HB3      SER  62  -2.997  11.835   1.191
  563    HG   SER  62           HG       SER  62  -1.553  12.870   2.359
  564    H    ILE  63           H        ILE  63  -1.034  11.065  -1.229
  565    HA   ILE  63           HA       ILE  63   1.435  11.675   0.084
  566    HB   ILE  63           HB       ILE  63   2.321   9.719  -1.314
  567   HG12  ILE  63          HG12      ILE  63  -0.209   8.524  -1.801
  568   HG13  ILE  63          HG13      ILE  63  -0.241  10.115  -2.551
  569   HG21  ILE  63          HG21      ILE  63   1.256   8.098   0.140
  570   HG22  ILE  63          HG22      ILE  63  -0.072   9.209   0.478
  571   HG23  ILE  63          HG23      ILE  63   1.557   9.582   1.045
  572   HD11  ILE  63          HD11      ILE  63   0.527   8.501  -4.144
  573   HD12  ILE  63          HD12      ILE  63   1.775   7.937  -3.033
  574   HD13  ILE  63          HD13      ILE  63   1.866   9.563  -3.711
  575    H    LYS  64           H        LYS  64   3.526  11.469  -1.250
  576    HA   LYS  64           HA       LYS  64   3.375  13.470  -3.385
  577    HB2  LYS  64           HB2      LYS  64   5.283  12.876  -1.225
  578    HB3  LYS  64           HB3      LYS  64   6.022  13.243  -2.778
  579    HG2  LYS  64           HG2      LYS  64   4.623  15.325  -2.838
  580    HG3  LYS  64           HG3      LYS  64   4.173  14.978  -1.168
  581    HD2  LYS  64           HD2      LYS  64   6.808  14.781  -0.900
  582    HD3  LYS  64           HD3      LYS  64   6.778  15.861  -2.297
  583    HE2  LYS  64           HE2      LYS  64   5.543  17.501  -1.113
  584    HE3  LYS  64           HE3      LYS  64   5.193  16.386   0.207
  585    HZ1  LYS  64           HZ1      LYS  64   6.928  17.957   0.805
  586    HZ2  LYS  64           HZ2      LYS  64   7.881  17.440  -0.494
  587    HZ3  LYS  64           HZ3      LYS  64   7.540  16.379   0.778
  588    H    GLU  65           H        GLU  65   5.608  13.163  -4.724
  589    HA   GLU  65           HA       GLU  65   5.293  10.658  -6.143
  590    HB2  GLU  65           HB2      GLU  65   6.144  13.349  -6.786
  591    HB3  GLU  65           HB3      GLU  65   7.375  12.192  -7.270
  592    HG2  GLU  65           HG2      GLU  65   5.950  11.104  -8.763
  593    HG3  GLU  65           HG3      GLU  65   4.522  11.780  -7.965
  594    H    GLY  66           H        GLY  66   7.767  10.113  -7.114
  595    HA2  GLY  66           HA2      GLY  66   8.894   8.429  -5.325
  596    HA3  GLY  66           HA3      GLY  66   9.828   9.223  -6.572
  597    H    GLN  67           H        GLN  67   8.806   9.327  -3.240
  598    HA   GLN  67           HA       GLN  67  11.203  10.821  -2.479
  599    HB2  GLN  67           HB2      GLN  67   9.921  12.201  -0.929
  600    HB3  GLN  67           HB3      GLN  67   9.336  12.461  -2.566
  601    HG2  GLN  67           HG2      GLN  67   7.310  12.160  -1.742
  602    HG3  GLN  67           HG3      GLN  67   7.717  10.448  -1.686
  603   HE21  GLN  67          HE21      GLN  67   8.452   9.562   0.280
  604   HE22  GLN  67          HE22      GLN  67   8.056  10.299   1.791
  605    H    VAL  68           H        VAL  68  11.632  10.492  -0.051
  606    HA   VAL  68           HA       VAL  68  11.222   7.727   0.517
  607    HB   VAL  68           HB       VAL  68  12.558   9.690   2.353
  608   HG11  VAL  68          HG11      VAL  68  12.564   6.796   1.856
  609   HG12  VAL  68          HG12      VAL  68  12.359   7.652   3.381
  610   HG13  VAL  68          HG13      VAL  68  13.960   7.526   2.648
  611   HG21  VAL  68          HG21      VAL  68  14.645   9.221   1.223
  612   HG22  VAL  68          HG22      VAL  68  13.485  10.018   0.145
  613   HG23  VAL  68          HG23      VAL  68  13.739   8.246   0.045
  614    H    VAL  69           H        VAL  69   9.453   7.057   1.492
  615    HA   VAL  69           HA       VAL  69   8.217   8.781   3.538
  616    HB   VAL  69           HB       VAL  69   6.292   6.897   2.780
  617   HG11  VAL  69          HG11      VAL  69   5.001   8.793   2.112
  618   HG12  VAL  69          HG12      VAL  69   6.453   9.773   1.907
  619   HG13  VAL  69          HG13      VAL  69   5.969   9.240   3.518
  620   HG21  VAL  69          HG21      VAL  69   8.029   7.475   0.548
  621   HG22  VAL  69          HG22      VAL  69   6.381   8.017   0.235
  622   HG23  VAL  69          HG23      VAL  69   6.689   6.334   0.664
  623    H    LYS  70           H        LYS  70   6.685   7.298   4.949
  624    HA   LYS  70           HA       LYS  70   8.004   4.768   5.571
  625    HB2  LYS  70           HB2      LYS  70   8.956   6.656   6.991
  626    HB3  LYS  70           HB3      LYS  70   7.366   6.774   7.732
  627    HG2  LYS  70           HG2      LYS  70   7.997   4.077   7.883
  628    HG3  LYS  70           HG3      LYS  70   9.509   4.909   8.244
  629    HD2  LYS  70           HD2      LYS  70   8.209   6.319   9.882
  630    HD3  LYS  70           HD3      LYS  70   6.854   5.213   9.634
  631    HE2  LYS  70           HE2      LYS  70   8.283   3.341  10.353
  632    HE3  LYS  70           HE3      LYS  70   9.598   4.478  10.650
  633    HZ1  LYS  70           HZ1      LYS  70   8.423   3.937  12.686
  634    HZ2  LYS  70           HZ2      LYS  70   6.965   4.484  12.025
  635    HZ3  LYS  70           HZ3      LYS  70   8.225   5.575  12.310
  636    H    ILE  71           H        ILE  71   6.380   3.387   5.282
  637    HA   ILE  71           HA       ILE  71   3.649   4.094   5.813
  638    HB   ILE  71           HB       ILE  71   4.821   1.384   5.186
  639   HG12  ILE  71          HG12      ILE  71   5.159   3.304   3.509
  640   HG13  ILE  71          HG13      ILE  71   4.438   1.807   2.907
  641   HG21  ILE  71          HG21      ILE  71   2.009   2.421   5.324
  642   HG22  ILE  71          HG22      ILE  71   2.703   0.998   6.109
  643   HG23  ILE  71          HG23      ILE  71   2.427   1.001   4.365
  644   HD11  ILE  71          HD11      ILE  71   3.399   3.952   2.100
  645   HD12  ILE  71          HD12      ILE  71   2.849   4.228   3.754
  646   HD13  ILE  71          HD13      ILE  71   2.273   2.824   2.854
  647    H    GLU  72           H        GLU  72   2.301   3.328   7.498
  648    HA   GLU  72           HA       GLU  72   3.735   2.159   9.721
  649    HB2  GLU  72           HB2      GLU  72   2.585   4.595   9.685
  650    HB3  GLU  72           HB3      GLU  72   1.252   3.662  10.258
  651    HG2  GLU  72           HG2      GLU  72   3.703   2.996  11.622
  652    HG3  GLU  72           HG3      GLU  72   3.339   4.716  11.747
  653    H    ASN  73           H        ASN  73   1.903   1.459  11.260
  654    HA   ASN  73           HA       ASN  73   0.911  -0.983  10.492
  655    HB2  ASN  73           HB2      ASN  73   0.959   0.487  12.770
  656    HB3  ASN  73           HB3      ASN  73  -0.718   0.517  12.332
  657   HD21  ASN  73          HD21      ASN  73  -1.914  -1.176  13.058
  658   HD22  ASN  73          HD22      ASN  73  -1.306  -2.692  13.598
  659    H    ALA  74           H        ALA  74  -0.192  -1.143   8.646
  660    HA   ALA  74           HA       ALA  74  -2.862   0.104   8.592
  661    HB1  ALA  74           HB1      ALA  74  -1.589   1.091   6.842
  662    HB2  ALA  74           HB2      ALA  74  -2.669  -0.087   6.095
  663    HB3  ALA  74           HB3      ALA  74  -0.964  -0.476   6.331
  664    H    TRP  75           H        TRP  75  -1.952  -2.111   6.145
  665    HA   TRP  75           HA       TRP  75  -2.437  -4.595   7.301
  666    HB2  TRP  75           HB2      TRP  75  -4.766  -5.002   6.496
  667    HB3  TRP  75           HB3      TRP  75  -4.646  -3.902   7.862
  668    HD1  TRP  75           HD1      TRP  75  -5.379  -3.830   4.063
  669    HE1  TRP  75           HE1      TRP  75  -6.747  -1.734   3.586
  670    HE3  TRP  75           HE3      TRP  75  -5.168  -1.610   8.624
  671    HZ2  TRP  75           HZ2      TRP  75  -7.587   0.512   4.897
  672    HZ3  TRP  75           HZ3      TRP  75  -6.287   0.567   8.931
  673    HH2  TRP  75           HH2      TRP  75  -7.500   1.616   7.071
  674    H    THR  76           H        THR  76  -3.281  -6.186   5.668
  675    HA   THR  76           HA       THR  76  -2.474  -5.436   2.958
  676    HB   THR  76           HB       THR  76  -1.431  -7.787   2.823
  677    HG1  THR  76           HG1      THR  76  -0.460  -8.250   5.010
  678   HG21  THR  76          HG21      THR  76   0.738  -6.904   3.798
  679   HG22  THR  76          HG22      THR  76  -0.170  -5.459   4.249
  680   HG23  THR  76          HG23      THR  76  -0.030  -5.918   2.550
  681    H    THR  77           H        THR  77  -3.738  -6.212   1.436
  682    HA   THR  77           HA       THR  77  -5.612  -8.377   2.108
  683    HB   THR  77           HB       THR  77  -7.441  -7.257   1.129
  684    HG1  THR  77           HG1      THR  77  -5.876  -6.407  -0.623
  685   HG21  THR  77          HG21      THR  77  -6.917  -6.258   3.303
  686   HG22  THR  77          HG22      THR  77  -7.540  -5.021   2.214
  687   HG23  THR  77          HG23      THR  77  -5.810  -5.118   2.539
  688    H    ALA  78           H        ALA  78  -5.660  -9.991   0.595
  689    HA   ALA  78           HA       ALA  78  -3.837  -9.707  -1.651
  690    HB1  ALA  78           HB1      ALA  78  -3.671 -11.679  -0.226
  691    HB2  ALA  78           HB2      ALA  78  -4.047 -12.117  -1.893
  692    HB3  ALA  78           HB3      ALA  78  -5.316 -12.139  -0.669
  693    H    PHE  79           H        PHE  79  -4.693  -8.724  -3.398
  694    HA   PHE  79           HA       PHE  79  -7.340  -9.452  -4.300
  695    HB2  PHE  79           HB2      PHE  79  -6.399  -7.021  -4.093
  696    HB3  PHE  79           HB3      PHE  79  -5.595  -7.410  -5.629
  697    HD1  PHE  79           HD1      PHE  79  -8.868  -7.471  -3.961
  698    HD2  PHE  79           HD2      PHE  79  -6.763  -7.220  -7.624
  699    HE1  PHE  79           HE1      PHE  79 -10.957  -7.104  -5.128
  700    HE2  PHE  79           HE2      PHE  79  -8.854  -6.826  -8.802
  701    HZ   PHE  79           HZ       PHE  79 -10.981  -6.773  -7.564
  702    H    LYS  80           H        LYS  80  -7.623 -10.816  -5.925
  703    HA   LYS  80           HA       LYS  80  -7.268 -12.170  -7.699
  704    HB2  LYS  80           HB2      LYS  80  -5.157 -10.141  -8.433
  705    HB3  LYS  80           HB3      LYS  80  -5.835 -11.353  -9.515
  706    HG2  LYS  80           HG2      LYS  80  -7.422  -9.193  -8.163
  707    HG3  LYS  80           HG3      LYS  80  -6.781  -9.077  -9.800
  708    HD2  LYS  80           HD2      LYS  80  -8.131 -10.994 -10.468
  709    HD3  LYS  80           HD3      LYS  80  -8.733 -11.154  -8.815
  710    HE2  LYS  80           HE2      LYS  80  -9.577  -8.784  -9.031
  711    HE3  LYS  80           HE3      LYS  80  -9.215  -8.902 -10.751
  712    HZ1  LYS  80           HZ1      LYS  80 -11.508  -9.418 -10.395
  713    HZ2  LYS  80           HZ2      LYS  80 -11.129 -10.582  -9.229
  714    HZ3  LYS  80           HZ3      LYS  80 -10.712 -10.841 -10.847
  715    H    GLY  81           H        GLY  81  -5.418 -12.276  -5.177
  716    HA2  GLY  81           HA2      GLY  81  -4.215 -14.276  -4.643
  717    HA3  GLY  81           HA3      GLY  81  -3.702 -14.378  -6.319
  718    H    GLN  82           H        GLN  82  -3.283 -11.256  -5.835
  719    HA   GLN  82           HA       GLN  82  -0.521 -11.603  -4.887
  720    HB2  GLN  82           HB2      GLN  82  -0.900  -8.966  -5.838
  721    HB3  GLN  82           HB3      GLN  82   0.074 -10.239  -6.557
  722    HG2  GLN  82           HG2      GLN  82  -1.324 -10.444  -8.267
  723    HG3  GLN  82           HG3      GLN  82  -2.726 -10.551  -7.204
  724   HE21  GLN  82          HE21      GLN  82  -2.352  -8.004  -5.953
  725   HE22  GLN  82          HE22      GLN  82  -2.753  -6.796  -7.119
  726    H    VAL  83           H        VAL  83   0.255 -10.416  -3.151
  727    HA   VAL  83           HA       VAL  83  -1.716  -9.481  -1.315
  728    HB   VAL  83           HB       VAL  83   1.241  -8.940  -1.052
  729   HG11  VAL  83          HG11      VAL  83   0.404  -9.555   1.406
  730   HG12  VAL  83          HG12      VAL  83  -1.096  -8.910   0.738
  731   HG13  VAL  83          HG13      VAL  83   0.363  -7.921   0.748
  732   HG21  VAL  83          HG21      VAL  83   0.995 -11.296  -1.629
  733   HG22  VAL  83          HG22      VAL  83  -0.193 -11.493  -0.341
  734   HG23  VAL  83          HG23      VAL  83   1.482 -11.105   0.055
  735    H    GLN  84           H        GLN  84  -1.877  -7.322  -0.433
  736    HA   GLN  84           HA       GLN  84  -0.753  -5.180  -2.070
  737    HB2  GLN  84           HB2      GLN  84  -3.157  -6.013  -2.810
  738    HB3  GLN  84           HB3      GLN  84  -3.674  -5.025  -1.454
  739    HG2  GLN  84           HG2      GLN  84  -2.654  -3.071  -2.441
  740    HG3  GLN  84           HG3      GLN  84  -2.015  -4.047  -3.764
  741   HE21  GLN  84          HE21      GLN  84  -4.866  -2.658  -2.334
  742   HE22  GLN  84          HE22      GLN  84  -5.904  -2.857  -3.730
  743    H    LEU  85           H        LEU  85  -1.013  -3.062  -1.060
  744    HA   LEU  85           HA       LEU  85  -1.358  -3.264   1.861
  745    HB2  LEU  85           HB2      LEU  85   0.985  -2.861   0.545
  746    HB3  LEU  85           HB3      LEU  85   0.481  -1.213   0.850
  747    HG   LEU  85           HG       LEU  85   0.173  -2.695   3.266
  748   HD11  LEU  85          HD11      LEU  85   2.498  -3.351   3.658
  749   HD12  LEU  85          HD12      LEU  85   2.889  -2.963   1.983
  750   HD13  LEU  85          HD13      LEU  85   1.776  -4.282   2.346
  751   HD21  LEU  85          HD21      LEU  85   1.862  -1.049   4.045
  752   HD22  LEU  85          HD22      LEU  85   0.504  -0.323   3.183
  753   HD23  LEU  85          HD23      LEU  85   2.059  -0.522   2.372
  754    H    ASN  86           H        ASN  86  -2.167  -1.410   2.928
  755    HA   ASN  86           HA       ASN  86  -3.262   0.735   1.200
  756    HB2  ASN  86           HB2      ASN  86  -4.782  -0.642   3.416
  757    HB3  ASN  86           HB3      ASN  86  -5.382   0.620   2.377
  758   HD21  ASN  86          HD21      ASN  86  -4.198  -2.621   2.451
  759   HD22  ASN  86          HD22      ASN  86  -5.021  -3.166   1.039
  760    H    ALA  87           H        ALA  87  -4.109   2.573   2.567
  761    HA   ALA  87           HA       ALA  87  -2.890   2.579   5.220
  762    HB1  ALA  87           HB1      ALA  87  -2.526   4.874   3.298
  763    HB2  ALA  87           HB2      ALA  87  -1.297   3.658   3.645
  764    HB3  ALA  87           HB3      ALA  87  -1.861   4.733   4.926
  765    H    GLY  88           H        GLY  88  -4.438   2.965   6.591
  766    HA2  GLY  88           HA2      GLY  88  -6.565   4.851   5.870
  767    HA3  GLY  88           HA3      GLY  88  -6.776   3.499   6.888
  768    H    SER  89           H        SER  89  -7.178   4.057   8.890
  769    HA   SER  89           HA       SER  89  -6.343   6.612   9.860
  770    HB2  SER  89           HB2      SER  89  -7.940   4.392  11.145
  771    HB3  SER  89           HB3      SER  89  -7.603   5.931  11.937
  772    HG   SER  89           HG       SER  89  -9.562   5.399  10.293
  773    H    LYS  90           H        LYS  90  -5.743   3.260  11.202
  774    HA   LYS  90           HA       LYS  90  -3.930   4.290  13.155
  775    HB2  LYS  90           HB2      LYS  90  -3.357   2.055  13.765
  776    HB3  LYS  90           HB3      LYS  90  -5.071   2.066  13.464
  777    HG2  LYS  90           HG2      LYS  90  -3.515   1.319  11.128
  778    HG3  LYS  90           HG3      LYS  90  -3.275   0.263  12.509
  779    HD2  LYS  90           HD2      LYS  90  -6.012   0.663  12.462
  780    HD3  LYS  90           HD3      LYS  90  -5.571   0.519  10.760
  781    HE2  LYS  90           HE2      LYS  90  -5.032  -1.649  10.950
  782    HE3  LYS  90           HE3      LYS  90  -4.273  -1.426  12.525
  783    HZ1  LYS  90           HZ1      LYS  90  -6.509  -1.334  13.510
  784    HZ2  LYS  90           HZ2      LYS  90  -6.201  -2.814  12.749
  785    HZ3  LYS  90           HZ3      LYS  90  -7.184  -1.664  11.991
  786    H    THR  91           H        THR  91  -3.610   4.277   9.992
  787    HA   THR  91           HA       THR  91  -0.746   3.635   9.931
  788    HB   THR  91           HB       THR  91  -2.381   4.501   7.550
  789    HG1  THR  91           HG1      THR  91  -2.404   1.939   8.786
  790   HG21  THR  91          HG21      THR  91  -0.082   2.572   7.894
  791   HG22  THR  91          HG22      THR  91   0.016   4.212   7.250
  792   HG23  THR  91          HG23      THR  91  -0.865   2.968   6.365
  793    H    LYS  92           H        LYS  92   0.625   5.352  10.134
  794    HA   LYS  92           HA       LYS  92  -0.350   8.022   9.347
  795    HB2  LYS  92           HB2      LYS  92   1.075   7.086  11.724
  796    HB3  LYS  92           HB3      LYS  92   1.881   8.441  10.945
  797    HG2  LYS  92           HG2      LYS  92   0.438   9.361  12.568
  798    HG3  LYS  92           HG3      LYS  92  -0.327   9.648  11.005
  799    HD2  LYS  92           HD2      LYS  92  -1.773   7.694  11.367
  800    HD3  LYS  92           HD3      LYS  92  -1.020   7.437  12.942
  801    HE2  LYS  92           HE2      LYS  92  -1.791   9.684  13.632
  802    HE3  LYS  92           HE3      LYS  92  -2.613   9.851  12.082
  803    HZ1  LYS  92           HZ1      LYS  92  -4.141   9.137  13.800
  804    HZ2  LYS  92           HZ2      LYS  92  -3.186   7.782  14.135
  805    HZ3  LYS  92           HZ3      LYS  92  -3.964   7.918  12.639
  806    H    ILE  93           H        ILE  93   0.482   8.544   7.384
  807    HA   ILE  93           HA       ILE  93   3.105   7.454   6.674
  808    HB   ILE  93           HB       ILE  93   1.428   9.129   4.832
  809   HG12  ILE  93          HG12      ILE  93   1.120   6.144   5.254
  810   HG13  ILE  93          HG13      ILE  93  -0.032   7.357   5.790
  811   HG21  ILE  93          HG21      ILE  93   3.713   8.589   4.167
  812   HG22  ILE  93          HG22      ILE  93   2.537   7.793   3.115
  813   HG23  ILE  93          HG23      ILE  93   3.368   6.867   4.365
  814   HD11  ILE  93          HD11      ILE  93   0.684   6.634   2.966
  815   HD12  ILE  93          HD12      ILE  93  -0.273   8.051   3.402
  816   HD13  ILE  93          HD13      ILE  93  -0.864   6.434   3.788
  817    H    ALA  94           H        ALA  94   4.881   8.671   6.212
  818    HA   ALA  94           HA       ALA  94   4.845  11.567   5.974
  819    HB1  ALA  94           HB1      ALA  94   6.160  12.016   7.927
  820    HB2  ALA  94           HB2      ALA  94   5.903  10.356   8.540
  821    HB3  ALA  94           HB3      ALA  94   4.532  11.471   8.396
  822    H    GLU  95           H        GLU  95   6.796  12.486   5.351
  823    HA   GLU  95           HA       GLU  95   8.548  10.821   3.914
  824    HB2  GLU  95           HB2      GLU  95   9.265  13.635   4.726
  825    HB3  GLU  95           HB3      GLU  95   9.518  12.681   3.435
  826    HG2  GLU  95           HG2      GLU  95   8.094  13.761   2.391
  827    HG3  GLU  95           HG3      GLU  95   6.970  12.729   3.096
  828    H    ALA  96           H        ALA  96  10.414   9.984   4.365
  829    HA   ALA  96           HA       ALA  96  11.569  10.425   7.057
  830    HB1  ALA  96           HB1      ALA  96  11.990   8.138   7.393
  831    HB2  ALA  96           HB2      ALA  96  11.684   7.755   5.692
  832    HB3  ALA  96           HB3      ALA  96  10.341   8.199   6.759
  833    H    SER  97           H        SER  97  13.749  10.678   7.161
  834    HA   SER  97           HA       SER  97  15.202  10.581   4.602
  835    HB2  SER  97           HB2      SER  97  16.790  12.178   5.759
  836    HB3  SER  97           HB3      SER  97  15.213  12.796   5.383
  837    HG   SER  97           HG       SER  97  15.400  11.598   7.853
  838    H    GLU  98           H        GLU  98  16.767   9.125   4.383
  839    HA   GLU  98           HA       GLU  98  18.056   8.062   6.804
  840    HB2  GLU  98           HB2      GLU  98  17.096   6.490   4.405
  841    HB3  GLU  98           HB3      GLU  98  18.091   5.817   5.664
  842    HG2  GLU  98           HG2      GLU  98  15.672   7.091   6.620
  843    HG3  GLU  98           HG3      GLU  98  15.459   5.632   5.653
  844    H    ASP  99           H        ASP  99  19.774   6.274   5.263
  845    HA   ASP  99           HA       ASP  99  21.759   8.121   4.486
  846    HB2  ASP  99           HB2      ASP  99  21.603   5.131   4.713
  847    HB3  ASP  99           HB3      ASP  99  22.977   5.891   3.916
  848    H    GLY 100           H        GLY 100  19.186   7.729   2.859
  849    HA2  GLY 100           HA2      GLY 100  19.030   8.273   0.554
  850    HA3  GLY 100           HA3      GLY 100  20.587   7.515   0.263
  851    H    PHE 101           H        PHE 101  17.172   6.908   0.853
  852    HA   PHE 101           HA       PHE 101  17.201   4.116   0.592
  853    HB2  PHE 101           HB2      PHE 101  15.268   6.094   0.985
  854    HB3  PHE 101           HB3      PHE 101  14.802   5.316  -0.524
  855    HD1  PHE 101           HD2      PHE 101  15.883   4.430   2.940
  856    HD2  PHE 101           HD1      PHE 101  13.460   3.457  -0.420
  857    HE1  PHE 101           HE2      PHE 101  14.894   2.572   4.199
  858    HE2  PHE 101           HE1      PHE 101  12.444   1.632   0.799
  859    HZ   PHE 101           HZ       PHE 101  13.173   1.156   3.155
  860    HA   PRO 102           HA       PRO 102  18.121   3.221  -3.636
  861    HB2  PRO 102           HB2      PRO 102  15.708   1.468  -3.537
  862    HB3  PRO 102           HB3      PRO 102  17.358   1.085  -4.050
  863    HG2  PRO 102           HG2      PRO 102  16.480   0.254  -1.695
  864    HG3  PRO 102           HG3      PRO 102  18.141   0.854  -1.884
  865    HD2  PRO 102           HD2      PRO 102  15.777   2.188  -0.651
  866    HD3  PRO 102           HD3      PRO 102  17.499   2.269  -0.195
  867    H    GLU 103           H        GLU 103  17.536   3.926  -5.639
  868    HA   GLU 103           HA       GLU 103  15.337   5.744  -5.826
  869    HB2  GLU 103           HB2      GLU 103  17.690   5.691  -7.053
  870    HB3  GLU 103           HB3      GLU 103  16.778   4.793  -8.258
  871    HG2  GLU 103           HG2      GLU 103  15.311   6.610  -8.636
  872    HG3  GLU 103           HG3      GLU 103  15.909   7.475  -7.221
  873    H    SER 104           H        SER 104  13.699   5.649  -7.539
  874    HA   SER 104           HA       SER 104  12.225   3.248  -7.432
  875    HB2  SER 104           HB2      SER 104  11.794   5.390  -9.507
  876    HB3  SER 104           HB3      SER 104  10.594   4.353  -8.735
  877    HG   SER 104           HG       SER 104  12.090   6.419  -7.486
  878    H    SER 105           H        SER 105  14.599   4.446  -9.662
  879    HA   SER 105           HA       SER 105  13.924   2.572 -11.752
  880    HB2  SER 105           HB2      SER 105  15.490   4.936 -11.550
  881    HB3  SER 105           HB3      SER 105  16.554   3.640 -12.093
  882    HG   SER 105           HG       SER 105  15.445   3.461 -13.909
  883    H    GLN 106           H        GLN 106  15.432   2.285  -8.826
  884    HA   GLN 106           HA       GLN 106  17.005  -0.028  -9.754
  885    HB2  GLN 106           HB2      GLN 106  17.665   1.682  -7.363
  886    HB3  GLN 106           HB3      GLN 106  18.631   0.407  -8.028
  887    HG2  GLN 106           HG2      GLN 106  18.693   1.873 -10.160
  888    HG3  GLN 106           HG3      GLN 106  18.113   3.151  -9.094
  889   HE21  GLN 106          HE21      GLN 106  20.471   0.542  -8.645
  890   HE22  GLN 106          HE22      GLN 106  21.786   1.572  -8.201
  891    H    ILE 107           H        ILE 107  14.234   0.645  -8.422
  892    HA   ILE 107           HA       ILE 107  14.418  -1.108  -6.094
  893    HB   ILE 107           HB       ILE 107  12.396   0.853  -7.080
  894   HG12  ILE 107          HG12      ILE 107  13.195   0.271  -4.241
  895   HG13  ILE 107          HG13      ILE 107  14.248   1.204  -5.300
  896   HG21  ILE 107          HG21      ILE 107  10.681   0.003  -5.584
  897   HG22  ILE 107          HG22      ILE 107  11.717  -1.362  -5.133
  898   HG23  ILE 107          HG23      ILE 107  11.102  -1.216  -6.787
  899   HD11  ILE 107          HD11      ILE 107  11.489   2.117  -5.273
  900   HD12  ILE 107          HD12      ILE 107  13.006   3.014  -5.147
  901   HD13  ILE 107          HD13      ILE 107  12.315   2.222  -3.712
  902    HA   PRO 108           HA       PRO 108  13.272  -4.661  -8.588
  903    HB2  PRO 108           HB2      PRO 108  12.401  -5.640  -5.912
  904    HB3  PRO 108           HB3      PRO 108  13.430  -6.427  -7.116
  905    HG2  PRO 108           HG2      PRO 108  14.510  -5.374  -4.943
  906    HG3  PRO 108           HG3      PRO 108  15.310  -5.215  -6.520
  907    HD2  PRO 108           HD2      PRO 108  13.760  -3.185  -4.980
  908    HD3  PRO 108           HD3      PRO 108  15.209  -2.979  -5.986
  909    H    GLU 109           H        GLU 109  11.325  -5.946  -8.967
  910    HA   GLU 109           HA       GLU 109   8.868  -4.488  -8.231
  911    HB2  GLU 109           HB2      GLU 109   7.980  -5.326 -10.466
  912    HB3  GLU 109           HB3      GLU 109   9.189  -4.051 -10.533
  913    HG2  GLU 109           HG2      GLU 109  10.885  -5.576 -11.182
  914    HG3  GLU 109           HG3      GLU 109   9.853  -6.965 -10.845
  915    H    ASN 110           H        ASN 110  10.418  -7.094  -7.395
  916    HA   ASN 110           HA       ASN 110   8.857  -9.325  -7.920
  917    HB2  ASN 110           HB2      ASN 110  11.105  -8.946  -6.519
  918    HB3  ASN 110           HB3      ASN 110   9.972  -9.047  -5.175
  919   HD21  ASN 110          HD21      ASN 110  11.865 -10.772  -7.323
  920   HD22  ASN 110          HD22      ASN 110  11.213 -12.347  -7.039
  921    H    THR 111           H        THR 111   6.836  -9.840  -7.445
  922    HA   THR 111           HA       THR 111   5.332  -8.211  -5.572
  923    HB   THR 111           HB       THR 111   3.708 -10.301  -6.604
  924    HG1  THR 111           HG1      THR 111   5.494  -9.155  -8.495
  925   HG21  THR 111          HG21      THR 111   3.043  -7.964  -6.067
  926   HG22  THR 111          HG22      THR 111   2.511  -8.487  -7.665
  927   HG23  THR 111          HG23      THR 111   3.908  -7.424  -7.505
  928    HA   PRO 112           HA       PRO 112   6.171 -11.229  -2.328
  929    HB2  PRO 112           HB2      PRO 112   4.062  -9.635  -0.973
  930    HB3  PRO 112           HB3      PRO 112   5.678 -10.085  -0.406
  931    HG2  PRO 112           HG2      PRO 112   5.202  -7.602  -1.191
  932    HG3  PRO 112           HG3      PRO 112   6.730  -8.407  -1.605
  933    HD2  PRO 112           HD2      PRO 112   4.340  -7.914  -3.326
  934    HD3  PRO 112           HD3      PRO 112   6.066  -7.798  -3.727
  935    H    THR 113           H        THR 113   5.189 -13.125  -1.813
  936    HA   THR 113           HA       THR 113   2.301 -13.392  -1.907
  937    HB   THR 113           HB       THR 113   3.491 -15.569  -3.430
  938    HG1  THR 113           HG1      THR 113   3.675 -14.135  -5.353
  939   HG21  THR 113          HG21      THR 113   1.083 -15.151  -3.247
  940   HG22  THR 113          HG22      THR 113   1.615 -15.093  -4.927
  941   HG23  THR 113          HG23      THR 113   1.290 -13.596  -4.052
  942    H    ALA 114           H        ALA 114   1.689 -14.644  -0.271
  943    HA   ALA 114           HA       ALA 114   3.536 -15.956   1.413
  944    HB1  ALA 114           HB1      ALA 114   1.579 -16.771   2.621
  945    HB2  ALA 114           HB2      ALA 114   0.538 -16.273   1.288
  946    HB3  ALA 114           HB3      ALA 114   1.410 -15.061   2.225
  947    H    ARG 115           H        ARG 115   3.384 -18.282   2.029
  948    HA   ARG 115           HA       ARG 115   3.542 -19.908  -0.368
  949    HB2  ARG 115           HB2      ARG 115   4.369 -21.665   1.237
  950    HB3  ARG 115           HB3      ARG 115   5.345 -20.205   1.160
  951    HG2  ARG 115           HG2      ARG 115   4.176 -19.399   3.208
  952    HG3  ARG 115           HG3      ARG 115   3.386 -20.973   3.311
  953    HD2  ARG 115           HD2      ARG 115   5.393 -20.788   4.748
  954    HD3  ARG 115           HD3      ARG 115   5.506 -22.079   3.552
  955    HE   ARG 115           HE       ARG 115   6.778 -19.459   3.116
  956   HH11  ARG 115          HH11      ARG 115   6.935 -22.938   3.284
  957   HH12  ARG 115          HH12      ARG 115   8.553 -23.023   2.675
  958   HH21  ARG 115          HH21      ARG 115   8.908 -19.563   2.309
  959   HH22  ARG 115          HH22      ARG 115   9.676 -21.104   2.121
  960    H    ARG 116           H        ARG 116   2.247 -21.617  -0.875
  961    HA   ARG 116           HA       ARG 116  -0.160 -21.964   0.789
  962    HB2  ARG 116           HB2      ARG 116   0.250 -22.109  -2.189
  963    HB3  ARG 116           HB3      ARG 116  -1.147 -22.850  -1.418
  964    HG2  ARG 116           HG2      ARG 116  -1.728 -20.635  -0.464
  965    HG3  ARG 116           HG3      ARG 116  -0.399 -19.935  -1.390
  966    HD2  ARG 116           HD2      ARG 116  -2.142 -21.584  -3.026
  967    HD3  ARG 116           HD3      ARG 116  -3.010 -20.264  -2.245
  968    HE   ARG 116           HE       ARG 116  -1.118 -20.057  -4.375
  969   HH11  ARG 116          HH11      ARG 116  -2.450 -18.393  -1.618
  970   HH12  ARG 116          HH12      ARG 116  -2.092 -16.815  -2.233
  971   HH21  ARG 116          HH21      ARG 116  -0.642 -17.983  -5.195
  972   HH22  ARG 116          HH22      ARG 116  -1.065 -16.582  -4.268
  973    H    ARG 117           H        ARG 117  -0.991 -24.058   1.094
  974    HA   ARG 117           HA       ARG 117   1.028 -26.106   1.202
  975    HB2  ARG 117           HB2      ARG 117  -1.900 -26.443   1.837
  976    HB3  ARG 117           HB3      ARG 117  -0.545 -27.381   2.450
  977    HG2  ARG 117           HG2      ARG 117   0.236 -25.462   3.718
  978    HG3  ARG 117           HG3      ARG 117  -1.084 -24.484   3.071
  979    HD2  ARG 117           HD2      ARG 117  -1.771 -27.035   4.429
  980    HD3  ARG 117           HD3      ARG 117  -1.243 -25.685   5.431
  981    HE   ARG 117           HE       ARG 117  -3.187 -24.728   3.683
  982   HH11  ARG 117          HH11      ARG 117  -2.932 -26.977   6.333
  983   HH12  ARG 117          HH12      ARG 117  -4.572 -26.757   6.847
  984   HH21  ARG 117          HH21      ARG 117  -5.346 -24.432   4.352
  985   HH22  ARG 117          HH22      ARG 117  -5.944 -25.310   5.720
  Start of MODEL    7
    1    H5'   DT   1           H5'       DT   1 -14.406  -7.738   7.209
    2   H5''   DT   1          H5''       DT   1 -14.508  -6.062   6.635
    3    H4'   DT   1           H4'       DT   1 -14.107  -6.362   9.091
    4    H3'   DT   1           H3'       DT   1 -12.354  -4.635   7.384
    5    H2'   DT   1           H2'       DT   1 -10.902  -4.209   9.236
    6   H2''   DT   1          H2''       DT   1 -12.101  -4.719  10.416
    7    H1'   DT   1           H1'       DT   1 -11.006  -6.774  10.374
    8    H3    DT   1           H3        DT   1  -7.190  -8.243   8.526
    9    H71   DT   1           H71       DT   1  -7.999  -3.903   5.979
   10    H72   DT   1           H72       DT   1  -7.468  -5.308   5.024
   11    H73   DT   1           H73       DT   1  -9.179  -4.819   5.011
   12    H6    DT   1           H6        DT   1 -10.417  -4.976   7.241
   13   HO5'   DT   1          HO5'       DT   1 -12.544  -6.228   5.727
   14    H5'   DT   2           H5'       DT   2 -14.038  -0.393   6.426
   15   H5''   DT   2          H5''       DT   2 -14.157  -1.646   5.174
   16    H4'   DT   2           H4'       DT   2 -12.485  -0.246   4.408
   17    H3'   DT   2           H3'       DT   2 -11.064  -2.506   5.814
   18    H2'   DT   2           H2'       DT   2  -9.048  -1.518   4.934
   19   H2''   DT   2          H2''       DT   2  -9.939  -0.476   3.834
   20    H1'   DT   2           H1'       DT   2  -9.823   1.075   5.644
   21    H3    DT   2           H3        DT   2  -8.788   0.781  10.126
   22    H71   DT   2           H71       DT   2  -8.285  -3.937   9.063
   23    H72   DT   2           H72       DT   2  -6.645  -3.248   9.020
   24    H73   DT   2           H73       DT   2  -7.447  -3.733   7.507
   25    H6    DT   2           H6        DT   2  -8.755  -2.137   6.365
   26    H5'   DT   3           H5'       DT   3 -15.644  -3.531   2.523
   27   H5''   DT   3          H5''       DT   3 -14.266  -4.508   1.974
   28    H4'   DT   3           H4'       DT   3 -15.046  -2.481   0.582
   29    H3'   DT   3           H3'       DT   3 -12.525  -3.710   0.747
   30    H2'   DT   3           H2'       DT   3 -11.465  -1.871   1.862
   31   H2''   DT   3          H2''       DT   3 -11.302  -1.346   0.193
   32    H1'   DT   3           H1'       DT   3 -13.484  -0.165   0.302
   33    H3    DT   3           H3        DT   3 -13.774   3.440   3.103
   34    H71   DT   3           H71       DT   3  -8.894   2.356   3.255
   35    H72   DT   3           H72       DT   3  -9.242   0.869   4.165
   36    H73   DT   3           H73       DT   3  -9.667   2.454   4.853
   37    H6    DT   3           H6        DT   3 -10.628  -0.060   2.364
   38    H5'   DT   4           H5'       DT   4 -14.943  -1.446  -2.410
   39   H5''   DT   4          H5''       DT   4 -15.391  -1.859  -4.079
   40    H4'   DT   4           H4'       DT   4 -13.812  -0.110  -4.208
   41    H3'   DT   4           H3'       DT   4 -12.763  -2.783  -5.000
   42    H2'   DT   4           H2'       DT   4 -10.537  -2.095  -4.933
   43   H2''   DT   4          H2''       DT   4 -10.935  -0.487  -5.522
   44    H1'   DT   4           H1'       DT   4 -11.045   0.402  -3.429
   45    H3    DT   4           H3        DT   4  -7.146  -0.681  -1.513
   46    H71   DT   4           H71       DT   4  -9.025  -4.352   0.545
   47    H72   DT   4           H72       DT   4 -10.721  -4.343   0.003
   48    H73   DT   4           H73       DT   4  -9.471  -5.119  -0.998
   49    H6    DT   4           H6        DT   4 -11.330  -2.930  -1.944
   50    H5'   DT   5           H5'       DT   5 -12.057  -0.244  -9.924
   51   H5''   DT   5          H5''       DT   5 -12.732  -1.660  -9.093
   52    H4'   DT   5           H4'       DT   5 -10.273  -1.359 -10.585
   53    H3'   DT   5           H3'       DT   5 -12.229  -3.289 -10.428
   54    H2'   DT   5           H2'       DT   5 -11.493  -4.352  -8.427
   55   H2''   DT   5          H2''       DT   5 -10.489  -5.208  -9.590
   56    H1'   DT   5           H1'       DT   5  -8.612  -3.733  -9.247
   57    H3    DT   5           H3        DT   5  -6.620  -4.492  -5.340
   58    H71   DT   5           H71       DT   5 -11.312  -3.341  -3.682
   59    H72   DT   5           H72       DT   5 -10.573  -4.835  -3.058
   60    H73   DT   5           H73       DT   5 -11.796  -4.920  -4.347
   61    H6    DT   5           H6        DT   5 -11.172  -3.829  -6.574
   62    H5'   DT   6           H5'       DT   6  -9.356  -5.657 -14.138
   63   H5''   DT   6          H5''       DT   6  -9.336  -7.264 -13.381
   64    H4'   DT   6           H4'       DT   6  -8.326  -4.778 -12.014
   65    H3'   DT   6           H3'       DT   6  -6.878  -6.468 -13.996
   66   HO3'   DT   6          HO3'       DT   6  -7.379  -3.945 -13.531
   67    H2'   DT   6           H2'       DT   6  -4.950  -6.640 -12.574
   68   H2''   DT   6          H2''       DT   6  -5.490  -5.333 -11.529
   69    H1'   DT   6           H1'       DT   6  -6.286  -7.153 -10.232
   70    H3    DT   6           H3        DT   6  -4.569 -11.105 -11.908
   71    H71   DT   6           H71       DT   6  -9.654 -10.279 -13.539
   72    H72   DT   6           H72       DT   6  -9.203 -11.866 -12.869
   73    H73   DT   6           H73       DT   6  -8.593 -11.367 -14.467
   74    H6    DT   6           H6        DT   6  -8.548  -8.541 -12.490
   75    H1   MET   1           H        MET   1  10.847  -1.996  15.430
   76    H1   MET   1           HT1      MET   1  10.523  -0.965  14.128
   77    H2   MET   1           H2       MET   1  11.027  -2.555  13.844
   78    HA   MET   1           HA       MET   1   9.015  -3.427  14.781
   79    HB2  MET   1           HB2      MET   1   8.368  -0.507  15.210
   80    HB3  MET   1           HB3      MET   1   7.175  -1.795  15.320
   81    HG2  MET   1           HG2      MET   1   9.232  -2.641  16.963
   82    HG3  MET   1           HG3      MET   1   9.129  -0.906  17.254
   83    HE1  MET   1           HE1      MET   1   8.685  -2.508  19.712
   84    HE2  MET   1           HE2      MET   1   8.232  -3.968  18.832
   85    HE3  MET   1           HE3      MET   1   7.112  -3.257  19.995
   86    H    GLU   2           H        GLU   2  10.263  -2.167  12.257
   87    HA   GLU   2           HA       GLU   2   7.779  -2.118  10.675
   88    HB2  GLU   2           HB2      GLU   2   9.310  -0.852   8.988
   89    HB3  GLU   2           HB3      GLU   2   8.617   0.018  10.350
   90    HG2  GLU   2           HG2      GLU   2  11.147  -1.126  11.083
   91    HG3  GLU   2           HG3      GLU   2  11.307  -0.152   9.622
   92    H    GLU   3           H        GLU   3   7.547  -3.632   9.161
   93    HA   GLU   3           HA       GLU   3   9.788  -5.445   8.681
   94    HB2  GLU   3           HB2      GLU   3   8.219  -7.065   8.018
   95    HB3  GLU   3           HB3      GLU   3   7.470  -6.246   9.381
   96    HG2  GLU   3           HG2      GLU   3   6.400  -4.770   7.489
   97    HG3  GLU   3           HG3      GLU   3   6.747  -6.187   6.498
   98    H    LYS   4           H        LYS   4   9.795  -6.451   6.396
   99    HA   LYS   4           HA       LYS   4   9.972  -4.174   4.486
  100    HB2  LYS   4           HB2      LYS   4  11.206  -6.008   3.134
  101    HB3  LYS   4           HB3      LYS   4  12.016  -5.236   4.489
  102    HG2  LYS   4           HG2      LYS   4  10.499  -7.712   5.051
  103    HG3  LYS   4           HG3      LYS   4  12.000  -7.865   4.137
  104    HD2  LYS   4           HD2      LYS   4  12.122  -6.142   6.527
  105    HD3  LYS   4           HD3      LYS   4  11.867  -7.860   6.835
  106    HE2  LYS   4           HE2      LYS   4  13.841  -7.980   4.996
  107    HE3  LYS   4           HE3      LYS   4  14.230  -6.450   5.781
  108    HZ1  LYS   4           HZ1      LYS   4  13.871  -9.057   7.158
  109    HZ2  LYS   4           HZ2      LYS   4  14.245  -7.590   7.911
  110    HZ3  LYS   4           HZ3      LYS   4  15.352  -8.300   6.848
  111    H    VAL   5           H        VAL   5   9.592  -4.902   2.140
  112    HA   VAL   5           HA       VAL   5   6.845  -5.655   1.922
  113    HB   VAL   5           HB       VAL   5   8.908  -5.255  -0.254
  114   HG11  VAL   5          HG11      VAL   5   7.079  -6.512  -1.139
  115   HG12  VAL   5          HG12      VAL   5   6.905  -4.840  -1.681
  116   HG13  VAL   5          HG13      VAL   5   5.905  -5.448  -0.362
  117   HG21  VAL   5          HG21      VAL   5   6.864  -3.343   0.871
  118   HG22  VAL   5          HG22      VAL   5   7.942  -3.023  -0.487
  119   HG23  VAL   5          HG23      VAL   5   8.607  -3.264   1.129
  120    H    GLY   6           H        GLY   6   9.926  -7.250   1.300
  121    HA2  GLY   6           HA2      GLY   6   8.739  -9.547   0.047
  122    HA3  GLY   6           HA3      GLY   6  10.412  -9.384   0.558
  123    H    ASN   7           H        ASN   7   8.495  -8.568   3.136
  124    HA   ASN   7           HA       ASN   7   8.399 -11.335   4.131
  125    HB2  ASN   7           HB2      ASN   7  10.283  -9.720   4.989
  126    HB3  ASN   7           HB3      ASN   7   8.989  -9.069   5.988
  127   HD21  ASN   7          HD21      ASN   7   9.417  -9.784   7.950
  128   HD22  ASN   7          HD22      ASN   7   9.700 -11.400   8.382
  129    H    LEU   8           H        LEU   8   6.589  -8.739   3.319
  130    HA   LEU   8           HA       LEU   8   4.821  -8.620   5.590
  131    HB2  LEU   8           HB2      LEU   8   3.801  -6.893   4.526
  132    HB3  LEU   8           HB3      LEU   8   5.322  -6.866   3.657
  133    HG   LEU   8           HG       LEU   8   3.892  -8.575   2.103
  134   HD11  LEU   8          HD11      LEU   8   1.737  -8.531   2.700
  135   HD12  LEU   8          HD12      LEU   8   1.724  -6.877   1.987
  136   HD13  LEU   8          HD13      LEU   8   1.990  -7.099   3.736
  137   HD21  LEU   8          HD21      LEU   8   5.143  -6.774   1.200
  138   HD22  LEU   8          HD22      LEU   8   4.104  -5.580   1.979
  139   HD23  LEU   8          HD23      LEU   8   3.475  -6.570   0.663
  140    H    LYS   9           H        LYS   9   2.608  -9.350   5.607
  141    HA   LYS   9           HA       LYS   9   1.838 -11.286   3.634
  142    HB2  LYS   9           HB2      LYS   9   1.212 -12.762   5.209
  143    HB3  LYS   9           HB3      LYS   9   2.797 -12.310   5.601
  144    HG2  LYS   9           HG2      LYS   9   2.126 -11.719   7.669
  145    HG3  LYS   9           HG3      LYS   9   0.906 -10.686   6.960
  146    HD2  LYS   9           HD2      LYS   9  -0.509 -12.106   8.035
  147    HD3  LYS   9           HD3      LYS   9  -0.266 -13.070   6.577
  148    HE2  LYS   9           HE2      LYS   9   0.438 -14.707   7.911
  149    HE3  LYS   9           HE3      LYS   9   1.881 -13.736   8.197
  150    HZ1  LYS   9           HZ1      LYS   9   0.777 -12.730  10.100
  151    HZ2  LYS   9           HZ2      LYS   9   0.854 -14.411  10.270
  152    HZ3  LYS   9           HZ3      LYS   9  -0.602 -13.673   9.826
  153    HA   PRO  10           HA       PRO  10  -2.012  -9.127   3.786
  154    HB2  PRO  10           HB2      PRO  10  -3.726 -10.972   2.846
  155    HB3  PRO  10           HB3      PRO  10  -2.509 -10.215   1.846
  156    HG2  PRO  10           HG2      PRO  10  -2.486 -12.905   3.134
  157    HG3  PRO  10           HG3      PRO  10  -1.927 -12.454   1.511
  158    HD2  PRO  10           HD2      PRO  10  -0.180 -12.751   3.640
  159    HD3  PRO  10           HD3      PRO  10   0.097 -11.741   2.255
  160    H    ASN  11           H        ASN  11  -4.196  -9.183   4.665
  161    HA   ASN  11           HA       ASN  11  -5.776  -9.559   6.289
  162    HB2  ASN  11           HB2      ASN  11  -4.462 -12.179   6.069
  163    HB3  ASN  11           HB3      ASN  11  -5.237 -11.887   7.623
  164   HD21  ASN  11          HD21      ASN  11  -5.743 -11.998   4.151
  165   HD22  ASN  11          HD22      ASN  11  -7.465 -12.303   4.227
  166    H    MET  12           H        MET  12  -3.119  -8.256   6.864
  167    HA   MET  12           HA       MET  12  -3.020  -8.669   9.728
  168    HB2  MET  12           HB2      MET  12  -1.086  -7.364   7.812
  169    HB3  MET  12           HB3      MET  12  -0.911  -7.406   9.513
  170    HG2  MET  12           HG2      MET  12  -1.266 -10.032   8.997
  171    HG3  MET  12           HG3      MET  12  -0.441  -9.452   7.559
  172    HE1  MET  12           HE1      MET  12   2.028  -8.751   7.414
  173    HE2  MET  12           HE2      MET  12   2.991  -8.274   8.831
  174    HE3  MET  12           HE3      MET  12   1.577  -7.330   8.366
  175    H    GLU  13           H        GLU  13  -3.873  -7.197  11.040
  176    HA   GLU  13           HA       GLU  13  -4.968  -4.763   9.928
  177    HB2  GLU  13           HB2      GLU  13  -5.036  -5.213  12.857
  178    HB3  GLU  13           HB3      GLU  13  -6.307  -4.670  11.772
  179    HG2  GLU  13           HG2      GLU  13  -6.126  -7.172  10.915
  180    HG3  GLU  13           HG3      GLU  13  -5.518  -7.416  12.552
  181    H    SER  14           H        SER  14  -1.975  -5.361  10.452
  182    HA   SER  14           HA       SER  14  -1.315  -2.661  11.205
  183    HB2  SER  14           HB2      SER  14   0.361  -3.606  12.972
  184    HB3  SER  14           HB3      SER  14  -1.323  -3.369  13.430
  185    HG   SER  14           HG       SER  14  -0.126  -5.808  12.616
  186    H    VAL  15           H        VAL  15   0.126  -2.113   9.711
  187    HA   VAL  15           HA       VAL  15   2.335  -3.947   9.133
  188    HB   VAL  15           HB       VAL  15   1.302  -2.519   6.765
  189   HG11  VAL  15          HG11      VAL  15   1.949  -4.612   5.664
  190   HG12  VAL  15          HG12      VAL  15   2.310  -5.322   7.236
  191   HG13  VAL  15          HG13      VAL  15   3.257  -3.955   6.648
  192   HG21  VAL  15          HG21      VAL  15  -0.620  -3.670   6.405
  193   HG22  VAL  15          HG22      VAL  15  -0.660  -3.672   8.168
  194   HG23  VAL  15          HG23      VAL  15  -0.069  -5.087   7.298
  195    H    ASN  16           H        ASN  16   4.070  -2.839   9.686
  196    HA   ASN  16           HA       ASN  16   4.253   0.025   9.050
  197    HB2  ASN  16           HB2      ASN  16   4.828  -1.392  11.380
  198    HB3  ASN  16           HB3      ASN  16   6.356  -0.879  10.696
  199   HD21  ASN  16          HD21      ASN  16   6.057   1.480   9.734
  200   HD22  ASN  16          HD22      ASN  16   5.438   2.600  10.917
  201    H    VAL  17           H        VAL  17   5.642   0.670   7.483
  202    HA   VAL  17           HA       VAL  17   8.017  -0.867   6.909
  203    HB   VAL  17           HB       VAL  17   6.615  -2.260   5.714
  204   HG11  VAL  17          HG11      VAL  17   4.711  -0.489   5.848
  205   HG12  VAL  17          HG12      VAL  17   4.691  -1.714   4.557
  206   HG13  VAL  17          HG13      VAL  17   5.252  -0.080   4.204
  207   HG21  VAL  17          HG21      VAL  17   8.506  -1.692   4.336
  208   HG22  VAL  17          HG22      VAL  17   7.713  -0.217   3.785
  209   HG23  VAL  17          HG23      VAL  17   7.093  -1.790   3.283
  210    H    THR  18           H        THR  18   9.436   0.144   5.443
  211    HA   THR  18           HA       THR  18   8.807   2.950   4.813
  212    HB   THR  18           HB       THR  18  11.661   2.220   4.918
  213    HG1  THR  18           HG1      THR  18  11.599   2.386   7.287
  214   HG21  THR  18          HG21      THR  18   9.929   4.526   5.383
  215   HG22  THR  18          HG22      THR  18  11.617   4.463   4.836
  216   HG23  THR  18          HG23      THR  18  11.230   4.379   6.566
  217    H    VAL  19           H        VAL  19   9.007   3.510   2.649
  218    HA   VAL  19           HA       VAL  19  10.511   1.915   0.860
  219    HB   VAL  19           HB       VAL  19   8.645   1.494  -0.706
  220   HG11  VAL  19          HG11      VAL  19   9.292  -0.297   0.658
  221   HG12  VAL  19          HG12      VAL  19   7.498  -0.181   0.471
  222   HG13  VAL  19          HG13      VAL  19   8.332   0.378   2.030
  223   HG21  VAL  19          HG21      VAL  19   7.040   3.125  -0.182
  224   HG22  VAL  19          HG22      VAL  19   7.033   2.686   1.524
  225   HG23  VAL  19          HG23      VAL  19   6.309   1.600   0.335
  226    H    ARG  20           H        ARG  20   9.927   2.777  -1.489
  227    HA   ARG  20           HA       ARG  20   9.828   5.659  -1.332
  228    HB2  ARG  20           HB2      ARG  20  12.011   4.541  -1.988
  229    HB3  ARG  20           HB3      ARG  20  11.254   4.103  -3.484
  230    HG2  ARG  20           HG2      ARG  20  12.040   6.102  -4.234
  231    HG3  ARG  20           HG3      ARG  20  10.783   6.844  -3.242
  232    HD2  ARG  20           HD2      ARG  20  12.308   7.012  -1.375
  233    HD3  ARG  20           HD3      ARG  20  13.557   6.161  -2.280
  234    HE   ARG  20           HE       ARG  20  12.555   8.858  -2.922
  235   HH11  ARG  20          HH11      ARG  20  15.056   6.426  -2.990
  236   HH12  ARG  20          HH12      ARG  20  16.234   7.476  -3.702
  237   HH21  ARG  20          HH21      ARG  20  14.101  10.244  -3.862
  238   HH22  ARG  20          HH22      ARG  20  15.691   9.645  -4.198
  239    H    VAL  21           H        VAL  21   8.788   6.813  -3.081
  240    HA   VAL  21           HA       VAL  21   6.425   5.413  -4.020
  241    HB   VAL  21           HB       VAL  21   7.433   8.191  -4.889
  242   HG11  VAL  21          HG11      VAL  21   5.066   8.608  -5.300
  243   HG12  VAL  21          HG12      VAL  21   4.718   6.928  -4.892
  244   HG13  VAL  21          HG13      VAL  21   5.699   7.306  -6.308
  245   HG21  VAL  21          HG21      VAL  21   6.072   9.097  -3.109
  246   HG22  VAL  21          HG22      VAL  21   7.349   8.066  -2.464
  247   HG23  VAL  21          HG23      VAL  21   5.695   7.463  -2.562
  248    H    LEU  22           H        LEU  22   6.175   4.396  -5.873
  249    HA   LEU  22           HA       LEU  22   8.234   4.573  -7.946
  250    HB2  LEU  22           HB2      LEU  22   6.150   2.422  -7.617
  251    HB3  LEU  22           HB3      LEU  22   7.566   2.386  -8.609
  252    HG   LEU  22           HG       LEU  22   7.477   2.244  -5.623
  253   HD11  LEU  22          HD11      LEU  22   8.596   0.265  -7.590
  254   HD12  LEU  22          HD12      LEU  22   6.950   0.190  -6.965
  255   HD13  LEU  22          HD13      LEU  22   8.317   0.043  -5.863
  256   HD21  LEU  22          HD21      LEU  22   9.953   2.190  -7.336
  257   HD22  LEU  22          HD22      LEU  22   9.837   2.205  -5.577
  258   HD23  LEU  22          HD23      LEU  22   9.380   3.633  -6.495
  259    H    GLU  23           H        GLU  23   4.946   5.084  -7.190
  260    HA   GLU  23           HA       GLU  23   4.503   6.515  -9.688
  261    HB2  GLU  23           HB2      GLU  23   4.067   3.951 -10.066
  262    HB3  GLU  23           HB3      GLU  23   2.560   4.285  -9.225
  263    HG2  GLU  23           HG2      GLU  23   1.730   4.832 -11.210
  264    HG3  GLU  23           HG3      GLU  23   2.698   6.301 -11.095
  265    H    ALA  24           H        ALA  24   2.219   7.414  -9.761
  266    HA   ALA  24           HA       ALA  24   0.718   7.435  -7.320
  267    HB1  ALA  24           HB1      ALA  24   2.243   9.934  -8.076
  268    HB2  ALA  24           HB2      ALA  24   2.555   8.911  -6.673
  269    HB3  ALA  24           HB3      ALA  24   1.041   9.807  -6.791
  270    H    SER  25           H        SER  25  -1.347   7.776  -7.809
  271    HA   SER  25           HA       SER  25  -1.963   9.144 -10.353
  272    HB2  SER  25           HB2      SER  25  -2.601   6.573  -9.721
  273    HB3  SER  25           HB3      SER  25  -4.048   7.419  -9.171
  274    HG   SER  25           HG       SER  25  -3.683   6.686 -11.552
  275    H    GLU  26           H        GLU  26  -3.833  10.509 -10.413
  276    HA   GLU  26           HA       GLU  26  -4.123  12.142  -8.143
  277    HB2  GLU  26           HB2      GLU  26  -6.010  12.029 -10.495
  278    HB3  GLU  26           HB3      GLU  26  -5.691  13.381  -9.436
  279    HG2  GLU  26           HG2      GLU  26  -3.611  12.187 -11.226
  280    HG3  GLU  26           HG3      GLU  26  -4.655  13.525 -11.704
  281    H    ALA  27           H        ALA  27  -6.013  12.558  -6.921
  282    HA   ALA  27           HA       ALA  27  -7.179  10.120  -6.024
  283    HB1  ALA  27           HB1      ALA  27  -8.027  11.466  -4.205
  284    HB2  ALA  27           HB2      ALA  27  -7.583  12.938  -5.072
  285    HB3  ALA  27           HB3      ALA  27  -6.310  11.815  -4.527
  286    H    ARG  28           H        ARG  28  -9.062   9.254  -6.402
  287    HA   ARG  28           HA       ARG  28 -11.142  10.799  -7.802
  288    HB2  ARG  28           HB2      ARG  28 -10.535   9.581  -9.617
  289    HB3  ARG  28           HB3      ARG  28  -9.688   8.382  -8.655
  290    HG2  ARG  28           HG2      ARG  28 -12.357   7.887  -8.118
  291    HG3  ARG  28           HG3      ARG  28 -12.339   8.299  -9.832
  292    HD2  ARG  28           HD2      ARG  28 -10.789   6.562 -10.319
  293    HD3  ARG  28           HD3      ARG  28 -10.459   6.285  -8.609
  294    HE   ARG  28           HE       ARG  28 -13.203   5.854  -9.448
  295   HH11  ARG  28          HH11      ARG  28 -10.078   4.399  -8.853
  296   HH12  ARG  28          HH12      ARG  28 -10.726   2.808  -8.627
  297   HH21  ARG  28          HH21      ARG  28 -14.047   3.755  -9.146
  298   HH22  ARG  28          HH22      ARG  28 -12.976   2.440  -8.789
  299    H    GLN  29           H        GLN  29 -13.301   9.936  -7.596
  300    HA   GLN  29           HA       GLN  29 -13.845   8.879  -4.961
  301    HB2  GLN  29           HB2      GLN  29 -15.580   9.980  -7.167
  302    HB3  GLN  29           HB3      GLN  29 -16.256   9.257  -5.715
  303    HG2  GLN  29           HG2      GLN  29 -15.069  10.912  -4.365
  304    HG3  GLN  29           HG3      GLN  29 -14.454  11.657  -5.836
  305   HE21  GLN  29          HE21      GLN  29 -17.268  11.096  -3.865
  306   HE22  GLN  29          HE22      GLN  29 -18.275  12.289  -4.604
  307    H    ILE  30           H        ILE  30 -14.777   6.933  -4.498
  308    HA   ILE  30           HA       ILE  30 -15.357   5.139  -6.759
  309    HB   ILE  30           HB       ILE  30 -14.453   3.265  -5.605
  310   HG12  ILE  30          HG12      ILE  30 -13.741   4.954  -3.230
  311   HG13  ILE  30          HG13      ILE  30 -15.323   4.189  -3.368
  312   HG21  ILE  30          HG21      ILE  30 -12.623   5.645  -5.432
  313   HG22  ILE  30          HG22      ILE  30 -12.670   4.384  -6.666
  314   HG23  ILE  30          HG23      ILE  30 -12.073   4.010  -5.042
  315   HD11  ILE  30          HD11      ILE  30 -14.378   2.027  -3.311
  316   HD12  ILE  30          HD12      ILE  30 -13.563   2.945  -2.043
  317   HD13  ILE  30          HD13      ILE  30 -12.751   2.652  -3.581
  318    H    GLN  31           H        GLN  31 -16.934   3.438  -6.189
  319    HA   GLN  31           HA       GLN  31 -18.865   4.383  -4.189
  320    HB2  GLN  31           HB2      GLN  31 -19.280   3.035  -6.851
  321    HB3  GLN  31           HB3      GLN  31 -20.540   3.075  -5.627
  322    HG2  GLN  31           HG2      GLN  31 -20.446   5.538  -5.656
  323    HG3  GLN  31           HG3      GLN  31 -19.248   5.451  -6.947
  324   HE21  GLN  31          HE21      GLN  31 -19.883   4.781  -9.001
  325   HE22  GLN  31          HE22      GLN  31 -21.541   4.743  -9.484
  326    H    THR  32           H        THR  32 -18.856   3.157  -2.437
  327    HA   THR  32           HA       THR  32 -18.314   0.274  -2.712
  328    HB   THR  32           HB       THR  32 -17.687   0.252  -0.369
  329    HG1  THR  32           HG1      THR  32 -17.877   2.013   0.900
  330   HG21  THR  32          HG21      THR  32 -16.385   2.241  -2.177
  331   HG22  THR  32          HG22      THR  32 -15.827   0.642  -1.691
  332   HG23  THR  32          HG23      THR  32 -15.758   1.990  -0.547
  333    H    LYS  33           H        LYS  33 -19.267  -0.746  -0.454
  334    HA   LYS  33           HA       LYS  33 -22.114  -0.671  -0.894
  335    HB2  LYS  33           HB2      LYS  33 -22.191  -2.548   0.676
  336    HB3  LYS  33           HB3      LYS  33 -20.966  -2.807  -0.557
  337    HG2  LYS  33           HG2      LYS  33 -19.210  -2.300   0.959
  338    HG3  LYS  33           HG3      LYS  33 -20.349  -1.721   2.176
  339    HD2  LYS  33           HD2      LYS  33 -21.303  -4.040   2.249
  340    HD3  LYS  33           HD3      LYS  33 -19.966  -4.552   1.216
  341    HE2  LYS  33           HE2      LYS  33 -18.365  -3.824   2.896
  342    HE3  LYS  33           HE3      LYS  33 -19.678  -3.244   3.919
  343    HZ1  LYS  33           HZ1      LYS  33 -19.160  -6.064   3.146
  344    HZ2  LYS  33           HZ2      LYS  33 -20.500  -5.543   4.038
  345    HZ3  LYS  33           HZ3      LYS  33 -18.944  -5.384   4.680
  346    H    ASN  34           H        ASN  34 -19.987   1.066   0.964
  347    HA   ASN  34           HA       ASN  34 -21.993   1.583   3.062
  348    HB2  ASN  34           HB2      ASN  34 -18.999   2.010   3.098
  349    HB3  ASN  34           HB3      ASN  34 -20.089   2.530   4.377
  350   HD21  ASN  34          HD21      ASN  34 -21.125   0.969   5.648
  351   HD22  ASN  34          HD22      ASN  34 -20.522  -0.646   5.761
  352    H    GLY  35           H        GLY  35 -21.226   2.749   0.202
  353    HA2  GLY  35           HA2      GLY  35 -22.364   4.898  -0.314
  354    HA3  GLY  35           HA3      GLY  35 -21.503   5.571   1.062
  355    H    VAL  36           H        VAL  36 -20.587   7.196  -0.276
  356    HA   VAL  36           HA       VAL  36 -18.589   6.166  -2.169
  357    HB   VAL  36           HB       VAL  36 -20.229   7.560  -3.266
  358   HG11  VAL  36          HG11      VAL  36 -20.505   9.920  -2.759
  359   HG12  VAL  36          HG12      VAL  36 -19.340   9.796  -1.440
  360   HG13  VAL  36          HG13      VAL  36 -20.883   8.948  -1.337
  361   HG21  VAL  36          HG21      VAL  36 -17.584   8.982  -3.051
  362   HG22  VAL  36          HG22      VAL  36 -18.745   9.123  -4.372
  363   HG23  VAL  36          HG23      VAL  36 -17.927   7.587  -4.074
  364    H    ARG  37           H        ARG  37 -16.535   6.761  -2.098
  365    HA   ARG  37           HA       ARG  37 -15.524   8.569  -0.031
  366    HB2  ARG  37           HB2      ARG  37 -13.803   6.936   0.411
  367    HB3  ARG  37           HB3      ARG  37 -15.343   6.674   1.154
  368    HG2  ARG  37           HG2      ARG  37 -14.810   5.317  -1.434
  369    HG3  ARG  37           HG3      ARG  37 -14.082   4.664   0.032
  370    HD2  ARG  37           HD2      ARG  37 -16.968   5.378  -0.009
  371    HD3  ARG  37           HD3      ARG  37 -16.426   3.854  -0.704
  372    HE   ARG  37           HE       ARG  37 -15.396   3.447   1.560
  373   HH11  ARG  37          HH11      ARG  37 -18.241   5.431   1.149
  374   HH12  ARG  37          HH12      ARG  37 -18.827   5.141   2.753
  375   HH21  ARG  37          HH21      ARG  37 -16.150   3.090   3.678
  376   HH22  ARG  37          HH22      ARG  37 -17.639   3.810   4.189
  377    H    THR  38           H        THR  38 -13.113   8.864  -0.307
  378    HA   THR  38           HA       THR  38 -12.611   9.126  -3.202
  379    HB   THR  38           HB       THR  38 -11.153  11.124  -2.377
  380    HG1  THR  38           HG1      THR  38 -11.371  11.268  -0.269
  381   HG21  THR  38          HG21      THR  38 -14.152  11.332  -2.534
  382   HG22  THR  38          HG22      THR  38 -13.035  11.374  -3.897
  383   HG23  THR  38          HG23      THR  38 -13.021  12.674  -2.706
  384    H    ILE  39           H        ILE  39 -11.108   7.710  -3.681
  385    HA   ILE  39           HA       ILE  39  -8.754   7.608  -1.922
  386    HB   ILE  39           HB       ILE  39  -8.575   5.194  -2.487
  387   HG12  ILE  39          HG12      ILE  39 -11.456   5.110  -3.100
  388   HG13  ILE  39          HG13      ILE  39 -10.421   5.708  -4.400
  389   HG21  ILE  39          HG21      ILE  39  -9.451   4.959  -0.477
  390   HG22  ILE  39          HG22      ILE  39 -11.071   5.050  -1.166
  391   HG23  ILE  39          HG23      ILE  39 -10.252   6.518  -0.645
  392   HD11  ILE  39          HD11      ILE  39  -9.047   3.525  -3.624
  393   HD12  ILE  39          HD12      ILE  39 -10.279   3.515  -4.881
  394   HD13  ILE  39          HD13      ILE  39 -10.692   3.024  -3.237
  395    H    SER  40           H        SER  40  -6.975   6.362  -3.073
  396    HA   SER  40           HA       SER  40  -6.932   6.685  -5.944
  397    HB2  SER  40           HB2      SER  40  -6.249   8.910  -4.932
  398    HB3  SER  40           HB3      SER  40  -4.821   8.073  -4.295
  399    HG   SER  40           HG       SER  40  -5.134   9.091  -6.690
  400    H    GLU  41           H        GLU  41  -4.788   5.936  -6.811
  401    HA   GLU  41           HA       GLU  41  -3.725   3.849  -5.071
  402    HB2  GLU  41           HB2      GLU  41  -5.310   3.272  -7.078
  403    HB3  GLU  41           HB3      GLU  41  -3.871   3.553  -8.043
  404    HG2  GLU  41           HG2      GLU  41  -3.123   1.853  -5.921
  405    HG3  GLU  41           HG3      GLU  41  -4.640   1.236  -6.571
  406    H    ALA  42           H        ALA  42  -1.552   3.572  -5.029
  407    HA   ALA  42           HA       ALA  42   0.144   5.010  -6.928
  408    HB1  ALA  42           HB1      ALA  42  -0.334   6.619  -5.134
  409    HB2  ALA  42           HB2      ALA  42   1.370   6.168  -5.198
  410    HB3  ALA  42           HB3      ALA  42   0.322   5.483  -3.956
  411    H    ILE  43           H        ILE  43   1.895   3.835  -7.405
  412    HA   ILE  43           HA       ILE  43   2.366   1.358  -5.994
  413    HB   ILE  43           HB       ILE  43   3.880   2.483  -8.347
  414   HG12  ILE  43          HG12      ILE  43   1.569   2.325  -8.984
  415   HG13  ILE  43          HG13      ILE  43   2.420   0.959  -9.699
  416   HG21  ILE  43          HG21      ILE  43   4.635   0.254  -8.747
  417   HG22  ILE  43          HG22      ILE  43   3.597  -0.386  -7.474
  418   HG23  ILE  43          HG23      ILE  43   4.970   0.639  -7.059
  419   HD11  ILE  43          HD11      ILE  43   1.610  -0.434  -7.791
  420   HD12  ILE  43          HD12      ILE  43   0.343   0.174  -8.860
  421   HD13  ILE  43          HD13      ILE  43   0.622   0.941  -7.295
  422    H    VAL  44           H        VAL  44   3.828   1.031  -4.518
  423    HA   VAL  44           HA       VAL  44   6.256   2.663  -4.236
  424    HB   VAL  44           HB       VAL  44   5.949   1.614  -1.646
  425   HG11  VAL  44          HG11      VAL  44   5.026   4.108  -2.967
  426   HG12  VAL  44          HG12      VAL  44   5.535   3.889  -1.285
  427   HG13  VAL  44          HG13      VAL  44   3.840   3.566  -1.765
  428   HG21  VAL  44          HG21      VAL  44   3.946   0.466  -2.583
  429   HG22  VAL  44          HG22      VAL  44   3.251   2.073  -2.872
  430   HG23  VAL  44          HG23      VAL  44   3.593   1.538  -1.217
  431    H    GLY  45           H        GLY  45   7.820   1.524  -3.012
  432    HA2  GLY  45           HA2      GLY  45   7.759  -1.102  -2.227
  433    HA3  GLY  45           HA3      GLY  45   8.325  -1.170  -3.887
  434    H    ASP  46           H        ASP  46   9.952  -2.164  -2.027
  435    HA   ASP  46           HA       ASP  46  12.072  -0.134  -1.820
  436    HB2  ASP  46           HB2      ASP  46  12.815  -1.248   0.281
  437    HB3  ASP  46           HB3      ASP  46  11.224  -0.508   0.416
  438    H    GLU  47           H        GLU  47  14.068  -1.803  -0.879
  439    HA   GLU  47           HA       GLU  47  14.834  -3.139  -3.278
  440    HB2  GLU  47           HB2      GLU  47  16.867  -3.793  -1.897
  441    HB3  GLU  47           HB3      GLU  47  16.587  -2.072  -2.116
  442    HG2  GLU  47           HG2      GLU  47  16.382  -1.727   0.072
  443    HG3  GLU  47           HG3      GLU  47  15.293  -3.100   0.266
  444    H    THR  48           H        THR  48  12.777  -4.120  -0.915
  445    HA   THR  48           HA       THR  48  13.657  -6.923  -1.019
  446    HB   THR  48           HB       THR  48  12.467  -7.321   0.937
  447    HG1  THR  48           HG1      THR  48  10.662  -5.758  -0.086
  448   HG21  THR  48          HG21      THR  48  14.389  -5.610   1.103
  449   HG22  THR  48          HG22      THR  48  13.319  -5.808   2.491
  450   HG23  THR  48          HG23      THR  48  13.108  -4.434   1.406
  451    H    GLY  49           H        GLY  49  11.715  -4.976  -2.805
  452    HA2  GLY  49           HA2      GLY  49  10.543  -6.632  -4.452
  453    HA3  GLY  49           HA3      GLY  49   9.525  -6.893  -3.048
  454    H    ARG  50           H        ARG  50   7.681  -6.113  -3.988
  455    HA   ARG  50           HA       ARG  50   7.374  -3.275  -4.007
  456    HB2  ARG  50           HB2      ARG  50   8.174  -3.607  -6.273
  457    HB3  ARG  50           HB3      ARG  50   7.002  -4.896  -6.526
  458    HG2  ARG  50           HG2      ARG  50   5.318  -2.977  -5.864
  459    HG3  ARG  50           HG3      ARG  50   6.629  -1.972  -6.475
  460    HD2  ARG  50           HD2      ARG  50   5.636  -4.331  -8.033
  461    HD3  ARG  50           HD3      ARG  50   4.783  -2.793  -8.097
  462    HE   ARG  50           HE       ARG  50   7.638  -2.830  -8.697
  463   HH11  ARG  50          HH11      ARG  50   4.353  -2.495  -9.803
  464   HH12  ARG  50          HH12      ARG  50   4.800  -1.827 -11.337
  465   HH21  ARG  50          HH21      ARG  50   8.241  -1.942 -10.706
  466   HH22  ARG  50          HH22      ARG  50   7.014  -1.513 -11.851
  467    H    VAL  51           H        VAL  51   5.298  -2.698  -3.718
  468    HA   VAL  51           HA       VAL  51   3.151  -4.625  -3.871
  469    HB   VAL  51           HB       VAL  51   3.933  -5.050  -1.640
  470   HG11  VAL  51          HG11      VAL  51   3.746  -2.075  -1.168
  471   HG12  VAL  51          HG12      VAL  51   5.233  -3.017  -1.285
  472   HG13  VAL  51          HG13      VAL  51   4.119  -3.289   0.055
  473   HG21  VAL  51          HG21      VAL  51   1.524  -3.266  -1.628
  474   HG22  VAL  51          HG22      VAL  51   1.969  -4.367  -0.323
  475   HG23  VAL  51          HG23      VAL  51   1.543  -5.003  -1.913
  476    H    LYS  52           H        LYS  52   1.272  -3.691  -4.452
  477    HA   LYS  52           HA       LYS  52   1.169  -0.962  -5.160
  478    HB2  LYS  52           HB2      LYS  52  -1.294  -2.635  -4.816
  479    HB3  LYS  52           HB3      LYS  52  -0.949  -1.420  -6.037
  480    HG2  LYS  52           HG2      LYS  52   0.969  -3.493  -6.305
  481    HG3  LYS  52           HG3      LYS  52  -0.628  -4.232  -6.190
  482    HD2  LYS  52           HD2      LYS  52  -1.430  -3.011  -8.050
  483    HD3  LYS  52           HD3      LYS  52  -0.029  -1.937  -8.043
  484    HE2  LYS  52           HE2      LYS  52   0.156  -3.552  -9.847
  485    HE3  LYS  52           HE3      LYS  52   1.413  -3.840  -8.643
  486    HZ1  LYS  52           HZ1      LYS  52   0.074  -5.635  -7.730
  487    HZ2  LYS  52           HZ2      LYS  52   0.384  -5.904  -9.370
  488    HZ3  LYS  52           HZ3      LYS  52  -1.137  -5.354  -8.878
  489    H    LEU  53           H        LEU  53   0.536   0.812  -4.044
  490    HA   LEU  53           HA       LEU  53  -0.553   0.441  -1.345
  491    HB2  LEU  53           HB2      LEU  53   1.613   1.749  -1.838
  492    HB3  LEU  53           HB3      LEU  53   0.562   3.010  -2.444
  493    HG   LEU  53           HG       LEU  53   1.439   3.228  -0.051
  494   HD11  LEU  53          HD11      LEU  53  -0.349   4.624  -0.940
  495   HD12  LEU  53          HD12      LEU  53  -0.627   4.225   0.754
  496   HD13  LEU  53          HD13      LEU  53  -1.536   3.392  -0.507
  497   HD21  LEU  53          HD21      LEU  53   0.214   2.080   1.685
  498   HD22  LEU  53          HD22      LEU  53   1.002   0.910   0.624
  499   HD23  LEU  53          HD23      LEU  53  -0.730   1.208   0.479
  500    H    THR  54           H        THR  54  -2.388   1.357  -0.703
  501    HA   THR  54           HA       THR  54  -3.984   2.871  -2.614
  502    HB   THR  54           HB       THR  54  -5.527   1.175  -0.754
  503    HG1  THR  54           HG1      THR  54  -4.127   0.114  -3.014
  504   HG21  THR  54          HG21      THR  54  -5.713   2.429  -3.416
  505   HG22  THR  54          HG22      THR  54  -6.940   2.283  -2.160
  506   HG23  THR  54          HG23      THR  54  -6.586   0.920  -3.218
  507    H    LEU  55           H        LEU  55  -4.211   4.762  -1.810
  508    HA   LEU  55           HA       LEU  55  -4.182   5.335   0.998
  509    HB2  LEU  55           HB2      LEU  55  -4.876   7.261  -1.142
  510    HB3  LEU  55           HB3      LEU  55  -3.954   7.526   0.306
  511    HG   LEU  55           HG       LEU  55  -2.585   5.629  -1.335
  512   HD11  LEU  55          HD11      LEU  55  -2.065   7.668  -2.994
  513   HD12  LEU  55          HD12      LEU  55  -3.777   7.911  -2.679
  514   HD13  LEU  55          HD13      LEU  55  -3.224   6.382  -3.338
  515   HD21  LEU  55          HD21      LEU  55  -1.572   7.013   0.421
  516   HD22  LEU  55          HD22      LEU  55  -1.856   8.443  -0.576
  517   HD23  LEU  55          HD23      LEU  55  -0.760   7.180  -1.135
  518    H    TRP  56           H        TRP  56  -5.934   6.503   2.082
  519    HA   TRP  56           HA       TRP  56  -8.544   6.113   0.798
  520    HB2  TRP  56           HB2      TRP  56  -7.608   5.123   3.442
  521    HB3  TRP  56           HB3      TRP  56  -9.316   5.445   3.203
  522    HD1  TRP  56           HD1      TRP  56  -6.546   3.021   2.261
  523    HE1  TRP  56           HE1      TRP  56  -7.506   1.074   0.905
  524    HE3  TRP  56           HE3      TRP  56 -11.323   4.793   1.572
  525    HZ2  TRP  56           HZ2      TRP  56 -10.016   0.371  -0.268
  526    HZ3  TRP  56           HZ3      TRP  56 -12.907   3.415   0.314
  527    HH2  TRP  56           HH2      TRP  56 -12.272   1.259  -0.590
  528    H    GLY  57           H        GLY  57  -9.761   7.753   0.718
  529    HA2  GLY  57           HA2      GLY  57 -10.862   9.678   1.133
  530    HA3  GLY  57           HA3      GLY  57 -10.398   9.536   2.801
  531    H    LYS  58           H        LYS  58  -8.563  10.748   3.539
  532    HA   LYS  58           HA       LYS  58  -7.936  12.990   1.820
  533    HB2  LYS  58           HB2      LYS  58  -6.502  13.617   3.949
  534    HB3  LYS  58           HB3      LYS  58  -8.242  13.843   3.910
  535    HG2  LYS  58           HG2      LYS  58  -7.786  12.878   5.990
  536    HG3  LYS  58           HG3      LYS  58  -8.414  11.559   5.003
  537    HD2  LYS  58           HD2      LYS  58  -5.785  11.329   4.476
  538    HD3  LYS  58           HD3      LYS  58  -5.714  11.986   6.112
  539    HE2  LYS  58           HE2      LYS  58  -7.481   9.665   5.430
  540    HE3  LYS  58           HE3      LYS  58  -5.773   9.442   5.813
  541    HZ1  LYS  58           HZ1      LYS  58  -7.112   9.165   7.786
  542    HZ2  LYS  58           HZ2      LYS  58  -7.828  10.681   7.569
  543    HZ3  LYS  58           HZ3      LYS  58  -6.183  10.570   7.944
  544    H    HIS  59           H        HIS  59  -6.340  10.065   2.795
  545    HA   HIS  59           HA       HIS  59  -3.687  10.867   2.178
  546    HB2  HIS  59           HB2      HIS  59  -5.075   8.225   2.552
  547    HB3  HIS  59           HB3      HIS  59  -3.440   8.288   1.909
  548    HD2  HIS  59           HD2      HIS  59  -4.847   7.612   5.200
  549    HE1  HIS  59           HE1      HIS  59  -1.394   9.943   6.023
  550    HE2  HIS  59           HE2      HIS  59  -3.150   8.398   6.958
  551    H    ALA  60           H        ALA  60  -6.431   9.948   0.340
  552    HA   ALA  60           HA       ALA  60  -5.315   8.883  -1.961
  553    HB1  ALA  60           HB1      ALA  60  -7.399   8.975  -2.792
  554    HB2  ALA  60           HB2      ALA  60  -7.592  10.682  -2.388
  555    HB3  ALA  60           HB3      ALA  60  -7.827   9.450  -1.145
  556    H    GLY  61           H        GLY  61  -4.018   9.673  -3.477
  557    HA2  GLY  61           HA2      GLY  61  -2.828  11.147  -4.751
  558    HA3  GLY  61           HA3      GLY  61  -4.237  12.146  -4.680
  559    H    SER  62           H        SER  62  -3.156  11.604  -1.566
  560    HA   SER  62           HA       SER  62  -2.211  14.332  -1.375
  561    HB2  SER  62           HB2      SER  62  -3.650  13.696   0.392
  562    HB3  SER  62           HB3      SER  62  -2.778  12.173   0.655
  563    HG   SER  62           HG       SER  62  -1.316  13.200   1.801
  564    H    ILE  63           H        ILE  63  -0.822  11.226  -1.707
  565    HA   ILE  63           HA       ILE  63   1.656  11.800  -0.394
  566    HB   ILE  63           HB       ILE  63   2.483   9.752  -1.700
  567   HG12  ILE  63          HG12      ILE  63  -0.088   8.634  -2.163
  568   HG13  ILE  63          HG13      ILE  63  -0.054  10.190  -2.980
  569   HG21  ILE  63          HG21      ILE  63   1.331   8.235  -0.192
  570   HG22  ILE  63          HG22      ILE  63   0.055   9.419   0.092
  571   HG23  ILE  63          HG23      ILE  63   1.696   9.739   0.654
  572   HD11  ILE  63          HD11      ILE  63   0.669   8.478  -4.492
  573   HD12  ILE  63          HD12      ILE  63   1.887   7.924  -3.345
  574   HD13  ILE  63          HD13      ILE  63   2.041   9.513  -4.094
  575    H    LYS  64           H        LYS  64   3.747  11.457  -1.696
  576    HA   LYS  64           HA       LYS  64   3.694  13.370  -3.914
  577    HB2  LYS  64           HB2      LYS  64   5.559  12.798  -1.710
  578    HB3  LYS  64           HB3      LYS  64   6.325  13.070  -3.269
  579    HG2  LYS  64           HG2      LYS  64   5.007  15.200  -3.434
  580    HG3  LYS  64           HG3      LYS  64   4.527  14.942  -1.755
  581    HD2  LYS  64           HD2      LYS  64   7.150  14.658  -1.450
  582    HD3  LYS  64           HD3      LYS  64   7.175  15.676  -2.891
  583    HE2  LYS  64           HE2      LYS  64   5.991  17.412  -1.792
  584    HE3  LYS  64           HE3      LYS  64   5.588  16.367  -0.430
  585    HZ1  LYS  64           HZ1      LYS  64   7.374  17.897   0.120
  586    HZ2  LYS  64           HZ2      LYS  64   8.319  17.291  -1.144
  587    HZ3  LYS  64           HZ3      LYS  64   7.926  16.298   0.167
  588    H    GLU  65           H        GLU  65   5.929  12.922  -5.212
  589    HA   GLU  65           HA       GLU  65   5.533  10.374  -6.529
  590    HB2  GLU  65           HB2      GLU  65   6.490  13.000  -7.275
  591    HB3  GLU  65           HB3      GLU  65   7.681  11.778  -7.698
  592    HG2  GLU  65           HG2      GLU  65   6.230  10.681  -9.156
  593    HG3  GLU  65           HG3      GLU  65   4.822  11.443  -8.406
  594    H    GLY  66           H        GLY  66   7.993   9.695  -7.447
  595    HA2  GLY  66           HA2      GLY  66   9.040   8.047  -5.576
  596    HA3  GLY  66           HA3      GLY  66  10.014   8.753  -6.846
  597    H    GLN  67           H        GLN  67   8.963   9.042  -3.531
  598    HA   GLN  67           HA       GLN  67  11.408  10.471  -2.810
  599    HB2  GLN  67           HB2      GLN  67  10.164  11.964  -1.332
  600    HB3  GLN  67           HB3      GLN  67   9.606  12.175  -2.986
  601    HG2  GLN  67           HG2      GLN  67   7.562  11.986  -2.172
  602    HG3  GLN  67           HG3      GLN  67   7.903  10.264  -2.040
  603   HE21  GLN  67          HE21      GLN  67   8.585   9.436  -0.031
  604   HE22  GLN  67          HE22      GLN  67   8.204  10.252   1.444
  605    H    VAL  68           H        VAL  68  11.797  10.238  -0.360
  606    HA   VAL  68           HA       VAL  68  11.282   7.512   0.317
  607    HB   VAL  68           HB       VAL  68  12.673   9.501   2.082
  608   HG11  VAL  68          HG11      VAL  68  12.603   6.584   1.701
  609   HG12  VAL  68          HG12      VAL  68  12.365   7.502   3.181
  610   HG13  VAL  68          HG13      VAL  68  13.986   7.317   2.509
  611   HG21  VAL  68          HG21      VAL  68  14.751   8.905   0.999
  612   HG22  VAL  68          HG22      VAL  68  13.632   9.701  -0.126
  613   HG23  VAL  68          HG23      VAL  68  13.819   7.916  -0.151
  614    H    VAL  69           H        VAL  69   9.480   6.950   1.300
  615    HA   VAL  69           HA       VAL  69   8.289   8.805   3.256
  616    HB   VAL  69           HB       VAL  69   6.302   6.964   2.558
  617   HG11  VAL  69          HG11      VAL  69   5.090   8.876   1.797
  618   HG12  VAL  69          HG12      VAL  69   6.579   9.791   1.563
  619   HG13  VAL  69          HG13      VAL  69   6.064   9.348   3.191
  620   HG21  VAL  69          HG21      VAL  69   8.089   7.318   0.341
  621   HG22  VAL  69          HG22      VAL  69   6.511   8.008  -0.038
  622   HG23  VAL  69          HG23      VAL  69   6.639   6.320   0.457
  623    H    LYS  70           H        LYS  70   6.689   7.444   4.712
  624    HA   LYS  70           HA       LYS  70   7.905   4.894   5.455
  625    HB2  LYS  70           HB2      LYS  70   8.914   6.804   6.804
  626    HB3  LYS  70           HB3      LYS  70   7.324   7.014   7.522
  627    HG2  LYS  70           HG2      LYS  70   7.849   4.304   7.794
  628    HG3  LYS  70           HG3      LYS  70   9.390   5.095   8.137
  629    HD2  LYS  70           HD2      LYS  70   8.126   6.621   9.698
  630    HD3  LYS  70           HD3      LYS  70   6.734   5.558   9.483
  631    HE2  LYS  70           HE2      LYS  70   8.085   3.665  10.296
  632    HE3  LYS  70           HE3      LYS  70   9.438   4.764  10.559
  633    HZ1  LYS  70           HZ1      LYS  70   8.223   4.356  12.604
  634    HZ2  LYS  70           HZ2      LYS  70   6.794   4.926  11.904
  635    HZ3  LYS  70           HZ3      LYS  70   8.091   5.982  12.156
  636    H    ILE  71           H        ILE  71   6.234   3.563   5.208
  637    HA   ILE  71           HA       ILE  71   3.527   4.394   5.677
  638    HB   ILE  71           HB       ILE  71   4.601   1.617   5.180
  639   HG12  ILE  71          HG12      ILE  71   5.028   3.447   3.425
  640   HG13  ILE  71          HG13      ILE  71   4.254   1.957   2.879
  641   HG21  ILE  71          HG21      ILE  71   1.835   2.764   5.278
  642   HG22  ILE  71          HG22      ILE  71   2.468   1.321   6.073
  643   HG23  ILE  71          HG23      ILE  71   2.189   1.319   4.331
  644   HD11  ILE  71          HD11      ILE  71   3.317   4.128   1.986
  645   HD12  ILE  71          HD12      ILE  71   2.730   4.450   3.618
  646   HD13  ILE  71          HD13      ILE  71   2.142   3.044   2.730
  647    H    GLU  72           H        GLU  72   2.134   3.752   7.377
  648    HA   GLU  72           HA       GLU  72   3.502   2.627   9.664
  649    HB2  GLU  72           HB2      GLU  72   2.444   5.101   9.510
  650    HB3  GLU  72           HB3      GLU  72   1.071   4.243  10.109
  651    HG2  GLU  72           HG2      GLU  72   3.482   3.546  11.529
  652    HG3  GLU  72           HG3      GLU  72   3.181   5.283  11.575
  653    H    ASN  73           H        ASN  73   1.630   2.062  11.211
  654    HA   ASN  73           HA       ASN  73   0.553  -0.371  10.536
  655    HB2  ASN  73           HB2      ASN  73   0.635   1.194  12.750
  656    HB3  ASN  73           HB3      ASN  73  -1.039   1.264  12.291
  657   HD21  ASN  73          HD21      ASN  73  -2.301  -0.347  13.077
  658   HD22  ASN  73          HD22      ASN  73  -1.759  -1.860  13.685
  659    H    ALA  74           H        ALA  74  -0.552  -0.581   8.695
  660    HA   ALA  74           HA       ALA  74  -3.156   0.790   8.547
  661    HB1  ALA  74           HB1      ALA  74  -1.853   1.615   6.751
  662    HB2  ALA  74           HB2      ALA  74  -2.928   0.401   6.056
  663    HB3  ALA  74           HB3      ALA  74  -1.238   0.009   6.368
  664    H    TRP  75           H        TRP  75  -2.332  -1.590   6.239
  665    HA   TRP  75           HA       TRP  75  -2.940  -3.995   7.496
  666    HB2  TRP  75           HB2      TRP  75  -5.284  -4.330   6.661
  667    HB3  TRP  75           HB3      TRP  75  -5.132  -3.208   8.005
  668    HD1  TRP  75           HD1      TRP  75  -5.807  -3.210   4.204
  669    HE1  TRP  75           HE1      TRP  75  -7.045  -1.060   3.634
  670    HE3  TRP  75           HE3      TRP  75  -5.570  -0.843   8.699
  671    HZ2  TRP  75           HZ2      TRP  75  -7.774   1.276   4.839
  672    HZ3  TRP  75           HZ3      TRP  75  -6.577   1.406   8.900
  673    HH2  TRP  75           HH2      TRP  75  -7.704   2.425   6.960
  674    H    THR  76           H        THR  76  -3.820  -5.610   5.892
  675    HA   THR  76           HA       THR  76  -2.919  -4.977   3.184
  676    HB   THR  76           HB       THR  76  -1.978  -7.380   3.165
  677    HG1  THR  76           HG1      THR  76  -1.087  -7.812   5.376
  678   HG21  THR  76          HG21      THR  76   0.205  -6.538   4.163
  679   HG22  THR  76          HG22      THR  76  -0.655  -5.038   4.507
  680   HG23  THR  76          HG23      THR  76  -0.483  -5.593   2.841
  681    H    THR  77           H        THR  77  -4.173  -5.767   1.656
  682    HA   THR  77           HA       THR  77  -6.210  -7.751   2.404
  683    HB   THR  77           HB       THR  77  -7.905  -6.557   1.261
  684    HG1  THR  77           HG1      THR  77  -7.488  -5.231  -0.365
  685   HG21  THR  77          HG21      THR  77  -7.184  -5.513   3.448
  686   HG22  THR  77          HG22      THR  77  -7.996  -4.402   2.348
  687   HG23  THR  77          HG23      THR  77  -6.242  -4.349   2.519
  688    H    ALA  78           H        ALA  78  -6.326  -9.466   1.022
  689    HA   ALA  78           HA       ALA  78  -4.453  -9.465  -1.199
  690    HB1  ALA  78           HB1      ALA  78  -4.450 -11.348   0.354
  691    HB2  ALA  78           HB2      ALA  78  -4.816 -11.862  -1.293
  692    HB3  ALA  78           HB3      ALA  78  -6.111 -11.727  -0.102
  693    H    PHE  79           H        PHE  79  -5.194  -8.565  -3.029
  694    HA   PHE  79           HA       PHE  79  -7.871  -9.185  -3.932
  695    HB2  PHE  79           HB2      PHE  79  -6.915  -6.795  -3.731
  696    HB3  PHE  79           HB3      PHE  79  -5.971  -7.214  -5.175
  697    HD1  PHE  79           HD1      PHE  79  -9.410  -7.238  -3.863
  698    HD2  PHE  79           HD2      PHE  79  -6.909  -6.946  -7.263
  699    HE1  PHE  79           HE1      PHE  79 -11.343  -6.754  -5.234
  700    HE2  PHE  79           HE2      PHE  79  -8.835  -6.418  -8.640
  701    HZ   PHE  79           HZ       PHE  79 -11.090  -6.326  -7.644
  702    H    LYS  80           H        LYS  80  -8.141 -10.607  -5.501
  703    HA   LYS  80           HA       LYS  80  -7.804 -11.977  -7.263
  704    HB2  LYS  80           HB2      LYS  80  -5.591 -10.053  -7.969
  705    HB3  LYS  80           HB3      LYS  80  -6.323 -11.234  -9.058
  706    HG2  LYS  80           HG2      LYS  80  -7.777  -8.984  -7.715
  707    HG3  LYS  80           HG3      LYS  80  -7.153  -8.928  -9.361
  708    HD2  LYS  80           HD2      LYS  80  -8.615 -10.837  -9.928
  709    HD3  LYS  80           HD3      LYS  80  -9.258 -10.794  -8.282
  710    HE2  LYS  80           HE2      LYS  80  -9.732  -8.300  -8.816
  711    HE3  LYS  80           HE3      LYS  80  -9.594  -8.814 -10.496
  712    HZ1  LYS  80           HZ1      LYS  80 -11.882  -8.879  -9.778
  713    HZ2  LYS  80           HZ2      LYS  80 -11.495  -9.909  -8.494
  714    HZ3  LYS  80           HZ3      LYS  80 -11.341 -10.452 -10.088
  715    H    GLY  81           H        GLY  81  -6.014 -12.110  -4.697
  716    HA2  GLY  81           HA2      GLY  81  -4.896 -14.142  -4.099
  717    HA3  GLY  81           HA3      GLY  81  -4.356 -14.298  -5.764
  718    H    GLN  82           H        GLN  82  -3.823 -11.200  -5.389
  719    HA   GLN  82           HA       GLN  82  -1.105 -11.612  -4.355
  720    HB2  GLN  82           HB2      GLN  82  -1.365  -8.992  -5.387
  721    HB3  GLN  82           HB3      GLN  82  -0.425 -10.322  -6.049
  722    HG2  GLN  82           HG2      GLN  82  -1.803 -10.540  -7.778
  723    HG3  GLN  82           HG3      GLN  82  -3.229 -10.525  -6.744
  724   HE21  GLN  82          HE21      GLN  82  -2.768  -7.964  -5.583
  725   HE22  GLN  82          HE22      GLN  82  -3.062  -6.780  -6.806
  726    H    VAL  83           H        VAL  83  -0.275 -10.266  -2.725
  727    HA   VAL  83           HA       VAL  83  -2.263  -9.262  -0.921
  728    HB   VAL  83           HB       VAL  83   0.702  -8.767  -0.655
  729   HG11  VAL  83          HG11      VAL  83  -0.187  -9.306   1.816
  730   HG12  VAL  83          HG12      VAL  83  -1.649  -8.618   1.106
  731   HG13  VAL  83          HG13      VAL  83  -0.152  -7.687   1.121
  732   HG21  VAL  83          HG21      VAL  83   0.406 -11.139  -1.157
  733   HG22  VAL  83          HG22      VAL  83  -0.776 -11.269   0.144
  734   HG23  VAL  83          HG23      VAL  83   0.906 -10.896   0.516
  735    H    GLN  84           H        GLN  84  -2.353  -7.044  -0.111
  736    HA   GLN  84           HA       GLN  84  -1.186  -5.015  -1.850
  737    HB2  GLN  84           HB2      GLN  84  -3.594  -5.816  -2.574
  738    HB3  GLN  84           HB3      GLN  84  -4.112  -4.797  -1.241
  739    HG2  GLN  84           HG2      GLN  84  -3.076  -2.870  -2.262
  740    HG3  GLN  84           HG3      GLN  84  -2.426  -3.876  -3.556
  741   HE21  GLN  84          HE21      GLN  84  -5.289  -2.434  -2.198
  742   HE22  GLN  84          HE22      GLN  84  -6.305  -2.647  -3.607
  743    H    LEU  85           H        LEU  85  -1.354  -2.861  -0.918
  744    HA   LEU  85           HA       LEU  85  -1.738  -2.931   2.004
  745    HB2  LEU  85           HB2      LEU  85   0.626  -2.715   0.705
  746    HB3  LEU  85           HB3      LEU  85   0.213  -1.029   0.907
  747    HG   LEU  85           HG       LEU  85  -0.183  -2.372   3.401
  748   HD11  LEU  85          HD11      LEU  85   2.127  -3.062   3.844
  749   HD12  LEU  85          HD12      LEU  85   2.532  -2.781   2.151
  750   HD13  LEU  85          HD13      LEU  85   1.384  -4.048   2.584
  751   HD21  LEU  85          HD21      LEU  85   1.541  -0.731   4.108
  752   HD22  LEU  85          HD22      LEU  85   0.212  -0.015   3.195
  753   HD23  LEU  85          HD23      LEU  85   1.768  -0.299   2.411
  754    H    ASN  86           H        ASN  86  -2.494  -1.013   2.980
  755    HA   ASN  86           HA       ASN  86  -3.445   1.106   1.142
  756    HB2  ASN  86           HB2      ASN  86  -5.073  -0.092   3.386
  757    HB3  ASN  86           HB3      ASN  86  -5.597   1.134   2.264
  758   HD21  ASN  86          HD21      ASN  86  -4.599  -2.152   2.576
  759   HD22  ASN  86          HD22      ASN  86  -5.397  -2.741   1.161
  760    H    ALA  87           H        ALA  87  -4.251   3.030   2.412
  761    HA   ALA  87           HA       ALA  87  -3.007   3.134   5.057
  762    HB1  ALA  87           HB1      ALA  87  -2.666   5.340   3.028
  763    HB2  ALA  87           HB2      ALA  87  -1.437   4.130   3.399
  764    HB3  ALA  87           HB3      ALA  87  -1.968   5.259   4.644
  765    H    GLY  88           H        GLY  88  -4.535   3.662   6.438
  766    HA2  GLY  88           HA2      GLY  88  -6.621   5.542   5.602
  767    HA3  GLY  88           HA3      GLY  88  -6.889   4.230   6.668
  768    H    SER  89           H        SER  89  -7.328   4.905   8.624
  769    HA   SER  89           HA       SER  89  -6.385   7.452   9.504
  770    HB2  SER  89           HB2      SER  89  -8.111   5.388  10.882
  771    HB3  SER  89           HB3      SER  89  -7.738   6.974  11.558
  772    HG   SER  89           HG       SER  89  -9.756   6.604  10.191
  773    H    LYS  90           H        LYS  90  -5.943   4.123  10.959
  774    HA   LYS  90           HA       LYS  90  -4.142   5.181  12.917
  775    HB2  LYS  90           HB2      LYS  90  -3.723   2.990  13.691
  776    HB3  LYS  90           HB3      LYS  90  -5.402   2.985  13.233
  777    HG2  LYS  90           HG2      LYS  90  -3.778   2.136  11.037
  778    HG3  LYS  90           HG3      LYS  90  -3.425   1.203  12.481
  779    HD2  LYS  90           HD2      LYS  90  -6.139   1.282  12.553
  780    HD3  LYS  90           HD3      LYS  90  -5.832   1.246  10.815
  781    HE2  LYS  90           HE2      LYS  90  -5.277  -0.902  10.895
  782    HE3  LYS  90           HE3      LYS  90  -4.109  -0.603  12.180
  783    HZ1  LYS  90           HZ1      LYS  90  -5.939  -0.700  13.784
  784    HZ2  LYS  90           HZ2      LYS  90  -5.774  -2.148  12.926
  785    HZ3  LYS  90           HZ3      LYS  90  -7.018  -1.071  12.535
  786    H    THR  91           H        THR  91  -3.780   5.033   9.771
  787    HA   THR  91           HA       THR  91  -0.941   4.284   9.772
  788    HB   THR  91           HB       THR  91  -2.528   5.077   7.333
  789    HG1  THR  91           HG1      THR  91  -2.637   2.606   8.723
  790   HG21  THR  91          HG21      THR  91  -0.279   3.110   7.774
  791   HG22  THR  91          HG22      THR  91  -0.119   4.734   7.106
  792   HG23  THR  91          HG23      THR  91  -1.019   3.502   6.222
  793    H    LYS  92           H        LYS  92   0.504   5.942   9.846
  794    HA   LYS  92           HA       LYS  92  -0.368   8.611   8.953
  795    HB2  LYS  92           HB2      LYS  92   0.889   7.743  11.414
  796    HB3  LYS  92           HB3      LYS  92   1.888   8.929  10.585
  797    HG2  LYS  92           HG2      LYS  92   0.474  10.091  12.099
  798    HG3  LYS  92           HG3      LYS  92  -0.098  10.424  10.464
  799    HD2  LYS  92           HD2      LYS  92  -1.853   8.736  10.740
  800    HD3  LYS  92           HD3      LYS  92  -1.281   8.410  12.379
  801    HE2  LYS  92           HE2      LYS  92  -1.752  10.745  12.987
  802    HE3  LYS  92           HE3      LYS  92  -2.361  11.035  11.357
  803    HZ1  LYS  92           HZ1      LYS  92  -4.160  10.617  12.908
  804    HZ2  LYS  92           HZ2      LYS  92  -3.501   9.113  13.314
  805    HZ3  LYS  92           HZ3      LYS  92  -4.084   9.385  11.750
  806    H    ILE  93           H        ILE  93   0.509   9.018   6.998
  807    HA   ILE  93           HA       ILE  93   3.098   7.804   6.369
  808    HB   ILE  93           HB       ILE  93   1.504   9.458   4.436
  809   HG12  ILE  93          HG12      ILE  93   1.082   6.504   4.980
  810   HG13  ILE  93          HG13      ILE  93  -0.030   7.784   5.448
  811   HG21  ILE  93          HG21      ILE  93   3.779   8.804   3.830
  812   HG22  ILE  93          HG22      ILE  93   2.586   8.018   2.791
  813   HG23  ILE  93          HG23      ILE  93   3.361   7.107   4.086
  814   HD11  ILE  93          HD11      ILE  93   0.681   6.889   2.676
  815   HD12  ILE  93          HD12      ILE  93  -0.193   8.381   3.017
  816   HD13  ILE  93          HD13      ILE  93  -0.886   6.829   3.483
  817    H    ALA  94           H        ALA  94   4.924   8.939   5.881
  818    HA   ALA  94           HA       ALA  94   4.993  11.821   5.520
  819    HB1  ALA  94           HB1      ALA  94   6.296  12.308   7.469
  820    HB2  ALA  94           HB2      ALA  94   5.984  10.685   8.146
  821    HB3  ALA  94           HB3      ALA  94   4.647  11.832   7.940
  822    H    GLU  95           H        GLU  95   6.984  12.641   4.885
  823    HA   GLU  95           HA       GLU  95   8.691  10.855   3.540
  824    HB2  GLU  95           HB2      GLU  95   9.491  13.673   4.249
  825    HB3  GLU  95           HB3      GLU  95   9.741  12.663   2.998
  826    HG2  GLU  95           HG2      GLU  95   8.360  13.742   1.887
  827    HG3  GLU  95           HG3      GLU  95   7.192  12.782   2.622
  828    H    ALA  96           H        ALA  96  10.520   9.972   4.050
  829    HA   ALA  96           HA       ALA  96  11.658  10.485   6.738
  830    HB1  ALA  96           HB1      ALA  96  12.005   8.197   7.166
  831    HB2  ALA  96           HB2      ALA  96  11.679   7.758   5.482
  832    HB3  ALA  96           HB3      ALA  96  10.358   8.299   6.532
  833    H    SER  97           H        SER  97  13.845  10.666   6.859
  834    HA   SER  97           HA       SER  97  15.324  10.407   4.325
  835    HB2  SER  97           HB2      SER  97  16.955  11.995   5.435
  836    HB3  SER  97           HB3      SER  97  15.405  12.651   5.012
  837    HG   SER  97           HG       SER  97  15.488  11.560   7.527
  838    H    GLU  98           H        GLU  98  16.837   8.888   4.188
  839    HA   GLU  98           HA       GLU  98  18.058   7.884   6.669
  840    HB2  GLU  98           HB2      GLU  98  17.068   6.247   4.327
  841    HB3  GLU  98           HB3      GLU  98  18.026   5.592   5.624
  842    HG2  GLU  98           HG2      GLU  98  15.643   6.992   6.496
  843    HG3  GLU  98           HG3      GLU  98  15.390   5.501   5.589
  844    H    ASP  99           H        ASP  99  19.728   5.973   5.228
  845    HA   ASP  99           HA       ASP  99  21.788   7.712   4.400
  846    HB2  ASP  99           HB2      ASP  99  21.522   4.743   4.750
  847    HB3  ASP  99           HB3      ASP  99  22.931   5.418   3.940
  848    H    GLY 100           H        GLY 100  19.222   7.343   2.756
  849    HA2  GLY 100           HA2      GLY 100  19.112   7.794   0.429
  850    HA3  GLY 100           HA3      GLY 100  20.645   6.969   0.191
  851    H    PHE 101           H        PHE 101  17.203   6.509   0.762
  852    HA   PHE 101           HA       PHE 101  17.134   3.710   0.618
  853    HB2  PHE 101           HB2      PHE 101  15.268   5.771   0.902
  854    HB3  PHE 101           HB3      PHE 101  14.794   4.945  -0.578
  855    HD1  PHE 101           HD2      PHE 101  15.800   4.170   2.934
  856    HD2  PHE 101           HD1      PHE 101  13.384   3.141  -0.412
  857    HE1  PHE 101           HE2      PHE 101  14.731   2.404   4.257
  858    HE2  PHE 101           HE1      PHE 101  12.288   1.408   0.870
  859    HZ   PHE 101           HZ       PHE 101  12.973   1.007   3.251
  860    HA   PRO 102           HA       PRO 102  18.069   2.603  -3.554
  861    HB2  PRO 102           HB2      PRO 102  15.594   0.943  -3.413
  862    HB3  PRO 102           HB3      PRO 102  17.235   0.480  -3.888
  863    HG2  PRO 102           HG2      PRO 102  16.300  -0.218  -1.512
  864    HG3  PRO 102           HG3      PRO 102  17.983   0.314  -1.704
  865    HD2  PRO 102           HD2      PRO 102  15.656   1.783  -0.559
  866    HD3  PRO 102           HD3      PRO 102  17.373   1.822  -0.086
  867    H    GLU 103           H        GLU 103  17.533   3.242  -5.593
  868    HA   GLU 103           HA       GLU 103  15.405   5.127  -5.885
  869    HB2  GLU 103           HB2      GLU 103  17.768   4.938  -7.079
  870    HB3  GLU 103           HB3      GLU 103  16.837   4.023  -8.257
  871    HG2  GLU 103           HG2      GLU 103  15.442   5.873  -8.731
  872    HG3  GLU 103           HG3      GLU 103  16.054   6.776  -7.346
  873    H    SER 104           H        SER 104  13.784   5.018  -7.615
  874    HA   SER 104           HA       SER 104  12.222   2.677  -7.426
  875    HB2  SER 104           HB2      SER 104  11.893   4.744  -9.595
  876    HB3  SER 104           HB3      SER 104  10.649   3.784  -8.796
  877    HG   SER 104           HG       SER 104  12.204   5.842  -7.611
  878    H    SER 105           H        SER 105  14.664   3.695  -9.674
  879    HA   SER 105           HA       SER 105  13.946   1.757 -11.690
  880    HB2  SER 105           HB2      SER 105  15.593   4.071 -11.568
  881    HB3  SER 105           HB3      SER 105  16.618   2.716 -12.042
  882    HG   SER 105           HG       SER 105  15.524   2.499 -13.863
  883    H    GLN 106           H        GLN 106  15.410   1.543  -8.736
  884    HA   GLN 106           HA       GLN 106  16.908  -0.863  -9.544
  885    HB2  GLN 106           HB2      GLN 106  17.601   0.922  -7.220
  886    HB3  GLN 106           HB3      GLN 106  18.529  -0.412  -7.818
  887    HG2  GLN 106           HG2      GLN 106  18.668   0.958 -10.008
  888    HG3  GLN 106           HG3      GLN 106  18.122   2.300  -9.004
  889   HE21  GLN 106          HE21      GLN 106  20.379  -0.369  -8.415
  890   HE22  GLN 106          HE22      GLN 106  21.725   0.630  -7.997
  891    H    ILE 107           H        ILE 107  14.147  -0.035  -8.278
  892    HA   ILE 107           HA       ILE 107  14.241  -1.692  -5.876
  893    HB   ILE 107           HB       ILE 107  12.303   0.296  -6.970
  894   HG12  ILE 107          HG12      ILE 107  13.047  -0.194  -4.100
  895   HG13  ILE 107          HG13      ILE 107  14.146   0.656  -5.183
  896   HG21  ILE 107          HG21      ILE 107  10.552  -0.431  -5.432
  897   HG22  ILE 107          HG22      ILE 107  11.528  -1.832  -4.962
  898   HG23  ILE 107          HG23      ILE 107  10.913  -1.686  -6.616
  899   HD11  ILE 107          HD11      ILE 107  11.419   1.666  -5.225
  900   HD12  ILE 107          HD12      ILE 107  12.966   2.514  -5.128
  901   HD13  ILE 107          HD13      ILE 107  12.237   1.814  -3.665
  902    HA   PRO 108           HA       PRO 108  12.997  -5.307  -8.232
  903    HB2  PRO 108           HB2      PRO 108  12.059  -6.138  -5.529
  904    HB3  PRO 108           HB3      PRO 108  13.073  -7.012  -6.685
  905    HG2  PRO 108           HG2      PRO 108  14.166  -5.906  -4.544
  906    HG3  PRO 108           HG3      PRO 108  14.989  -5.844  -6.116
  907    HD2  PRO 108           HD2      PRO 108  13.496  -3.695  -4.684
  908    HD3  PRO 108           HD3      PRO 108  14.962  -3.585  -5.679
  909    H    GLU 109           H        GLU 109  11.009  -6.533  -8.586
  910    HA   GLU 109           HA       GLU 109   8.598  -4.961  -7.941
  911    HB2  GLU 109           HB2      GLU 109   7.706  -5.862 -10.150
  912    HB3  GLU 109           HB3      GLU 109   8.961  -4.635 -10.255
  913    HG2  GLU 109           HG2      GLU 109  10.608  -6.245 -10.817
  914    HG3  GLU 109           HG3      GLU 109   9.522  -7.581 -10.434
  915    H    ASN 110           H        ASN 110  10.042  -7.583  -6.974
  916    HA   ASN 110           HA       ASN 110   8.408  -9.777  -7.426
  917    HB2  ASN 110           HB2      ASN 110  10.653  -9.418  -6.013
  918    HB3  ASN 110           HB3      ASN 110   9.501  -9.422  -4.681
  919   HD21  ASN 110          HD21      ASN 110  11.355 -11.304  -6.729
  920   HD22  ASN 110          HD22      ASN 110  10.643 -12.840  -6.386
  921    H    THR 111           H        THR 111   6.365 -10.200  -6.954
  922    HA   THR 111           HA       THR 111   4.897  -8.439  -5.173
  923    HB   THR 111           HB       THR 111   3.212 -10.512  -6.137
  924    HG1  THR 111           HG1      THR 111   5.059  -9.511  -8.051
  925   HG21  THR 111          HG21      THR 111   2.615  -8.139  -5.709
  926   HG22  THR 111          HG22      THR 111   2.101  -8.700  -7.300
  927   HG23  THR 111          HG23      THR 111   3.531  -7.681  -7.144
  928    HA   PRO 112           HA       PRO 112   5.590 -11.345  -1.791
  929    HB2  PRO 112           HB2      PRO 112   3.526  -9.618  -0.534
  930    HB3  PRO 112           HB3      PRO 112   5.117 -10.102   0.071
  931    HG2  PRO 112           HG2      PRO 112   4.740  -7.638  -0.824
  932    HG3  PRO 112           HG3      PRO 112   6.244  -8.514  -1.183
  933    HD2  PRO 112           HD2      PRO 112   3.892  -8.012  -2.955
  934    HD3  PRO 112           HD3      PRO 112   5.627  -7.973  -3.338
  935    H    THR 113           H        THR 113   4.535 -13.179  -1.213
  936    HA   THR 113           HA       THR 113   1.641 -13.347  -1.332
  937    HB   THR 113           HB       THR 113   2.769 -15.628  -2.746
  938    HG1  THR 113           HG1      THR 113   3.026 -14.284  -4.727
  939   HG21  THR 113          HG21      THR 113   0.376 -15.114  -2.611
  940   HG22  THR 113          HG22      THR 113   0.927 -15.152  -4.285
  941   HG23  THR 113          HG23      THR 113   0.649 -13.607  -3.483
  942    H    ALA 114           H        ALA 114   0.965 -14.505   0.347
  943    HA   ALA 114           HA       ALA 114   2.743 -15.810   2.109
  944    HB1  ALA 114           HB1      ALA 114   0.744 -16.501   3.325
  945    HB2  ALA 114           HB2      ALA 114  -0.262 -16.024   1.957
  946    HB3  ALA 114           HB3      ALA 114   0.643 -14.804   2.854
  947    H    ARG 115           H        ARG 115   2.501 -18.100   2.821
  948    HA   ARG 115           HA       ARG 115   2.627 -19.832   0.496
  949    HB2  ARG 115           HB2      ARG 115   3.372 -21.547   2.186
  950    HB3  ARG 115           HB3      ARG 115   4.401 -20.127   2.060
  951    HG2  ARG 115           HG2      ARG 115   3.238 -19.193   4.056
  952    HG3  ARG 115           HG3      ARG 115   2.391 -20.732   4.216
  953    HD2  ARG 115           HD2      ARG 115   4.387 -20.559   5.670
  954    HD3  ARG 115           HD3      ARG 115   4.467 -21.901   4.531
  955    HE   ARG 115           HE       ARG 115   5.837 -19.349   4.001
  956   HH11  ARG 115          HH11      ARG 115   5.866 -22.821   4.319
  957   HH12  ARG 115          HH12      ARG 115   7.487 -22.990   3.734
  958   HH21  ARG 115          HH21      ARG 115   7.971 -19.564   3.227
  959   HH22  ARG 115          HH22      ARG 115   8.685 -21.138   3.115
  960    H    ARG 116           H        ARG 116   1.277 -21.513   0.046
  961    HA   ARG 116           HA       ARG 116  -1.160 -21.703   1.691
  962    HB2  ARG 116           HB2      ARG 116  -0.721 -21.990  -1.273
  963    HB3  ARG 116           HB3      ARG 116  -2.152 -22.646  -0.490
  964    HG2  ARG 116           HG2      ARG 116  -2.663 -20.374   0.363
  965    HG3  ARG 116           HG3      ARG 116  -1.300 -19.762  -0.575
  966    HD2  ARG 116           HD2      ARG 116  -3.082 -21.415  -2.162
  967    HD3  ARG 116           HD3      ARG 116  -3.912 -20.033  -1.448
  968    HE   ARG 116           HE       ARG 116  -1.988 -19.985  -3.561
  969   HH11  ARG 116          HH11      ARG 116  -3.291 -18.160  -0.894
  970   HH12  ARG 116          HH12      ARG 116  -2.870 -16.622  -1.572
  971   HH21  ARG 116          HH21      ARG 116  -1.429 -17.966  -4.462
  972   HH22  ARG 116          HH22      ARG 116  -1.811 -16.513  -3.601
  973    H    ARG 117           H        ARG 117  -2.070 -23.752   2.074
  974    HA   ARG 117           HA       ARG 117  -0.128 -25.864   2.294
  975    HB2  ARG 117           HB2      ARG 117  -3.073 -26.069   2.905
  976    HB3  ARG 117           HB3      ARG 117  -1.760 -27.027   3.575
  977    HG2  ARG 117           HG2      ARG 117  -0.924 -25.084   4.770
  978    HG3  ARG 117           HG3      ARG 117  -2.201 -24.088   4.066
  979    HD2  ARG 117           HD2      ARG 117  -2.996 -26.553   5.522
  980    HD3  ARG 117           HD3      ARG 117  -2.430 -25.181   6.473
  981    HE   ARG 117           HE       ARG 117  -4.318 -24.232   4.659
  982   HH11  ARG 117          HH11      ARG 117  -4.175 -26.372   7.406
  983   HH12  ARG 117          HH12      ARG 117  -5.811 -26.073   7.888
  984   HH21  ARG 117          HH21      ARG 117  -6.472 -23.829   5.287
  985   HH22  ARG 117          HH22      ARG 117  -7.117 -24.627   6.682
  Start of MODEL    8
    1    H5'   DT   1           H5'       DT   1 -10.439  -1.424  10.441
    2   H5''   DT   1          H5''       DT   1 -11.930  -0.525  10.099
    3    H4'   DT   1           H4'       DT   1 -11.724  -2.311   8.532
    4    H3'   DT   1           H3'       DT   1 -13.935  -2.580  10.528
    5    H2'   DT   1           H2'       DT   1 -14.485  -4.759   9.730
    6   H2''   DT   1          H2''       DT   1 -13.665  -4.510   8.194
    7    H1'   DT   1           H1'       DT   1 -11.867  -5.617   9.136
    8    H3    DT   1           H3        DT   1 -13.535  -8.290  12.477
    9    H71   DT   1           H71       DT   1 -10.625  -4.920  14.871
   10    H72   DT   1           H72       DT   1 -11.928  -3.723  14.688
   11    H73   DT   1           H73       DT   1 -12.214  -5.213  15.619
   12    H6    DT   1           H6        DT   1 -11.611  -3.934  12.210
   13   HO5'   DT   1          HO5'       DT   1 -12.928  -1.690  11.788
   14    H5'   DT   2           H5'       DT   2 -13.155   2.155   7.352
   15   H5''   DT   2          H5''       DT   2 -14.496   1.146   6.767
   16    H4'   DT   2           H4'       DT   2 -13.041   1.079   4.999
   17    H3'   DT   2           H3'       DT   2 -12.518  -1.334   6.704
   18    H2'   DT   2           H2'       DT   2 -10.776  -1.990   5.179
   19   H2''   DT   2          H2''       DT   2 -11.304  -0.856   3.946
   20    H1'   DT   2           H1'       DT   2  -9.659   0.542   4.930
   21    H3    DT   2           H3        DT   2  -8.701   0.198   9.857
   22    H71   DT   2           H71       DT   2  -8.628  -4.299   7.850
   23    H72   DT   2           H72       DT   2  -6.973  -3.791   8.264
   24    H73   DT   2           H73       DT   2  -7.487  -3.849   6.561
   25    H6    DT   2           H6        DT   2  -8.944  -2.099   5.700
   26    H5'   DT   3           H5'       DT   3 -14.805  -4.446   1.968
   27   H5''   DT   3          H5''       DT   3 -13.198  -4.233   2.690
   28    H4'   DT   3           H4'       DT   3 -14.432  -2.918   0.417
   29    H3'   DT   3           H3'       DT   3 -11.925  -3.982   0.936
   30    H2'   DT   3           H2'       DT   3 -11.156  -2.054   2.188
   31   H2''   DT   3          H2''       DT   3 -10.627  -1.662   0.557
   32    H1'   DT   3           H1'       DT   3 -12.823  -0.543   0.098
   33    H3    DT   3           H3        DT   3 -13.810   3.224   2.582
   34    H71   DT   3           H71       DT   3  -9.848   2.122   5.001
   35    H72   DT   3           H72       DT   3  -9.211   3.111   3.666
   36    H73   DT   3           H73       DT   3  -8.886   1.361   3.709
   37    H6    DT   3           H6        DT   3 -10.293   0.017   2.397
   38    H5'   DT   4           H5'       DT   4 -14.744  -2.117  -2.844
   39   H5''   DT   4          H5''       DT   4 -14.436  -2.581  -4.528
   40    H4'   DT   4           H4'       DT   4 -13.731  -0.236  -3.672
   41    H3'   DT   4           H3'       DT   4 -12.384  -1.997  -5.606
   42    H2'   DT   4           H2'       DT   4 -10.221  -1.246  -5.175
   43   H2''   DT   4          H2''       DT   4 -10.772   0.425  -5.179
   44    H1'   DT   4           H1'       DT   4 -10.958   0.557  -2.915
   45    H3    DT   4           H3        DT   4  -6.501  -1.041  -2.726
   46    H71   DT   4           H71       DT   4  -9.550  -3.267   0.854
   47    H72   DT   4           H72       DT   4  -9.586  -4.538  -0.391
   48    H73   DT   4           H73       DT   4  -8.038  -4.055   0.342
   49    H6    DT   4           H6        DT   4 -10.876  -2.344  -1.359
   50    H5'   DT   5           H5'       DT   5 -13.205  -1.778  -9.098
   51   H5''   DT   5          H5''       DT   5 -12.502  -3.068  -8.100
   52    H4'   DT   5           H4'       DT   5 -11.467  -1.771 -10.576
   53    H3'   DT   5           H3'       DT   5 -12.515  -4.202 -10.336
   54    H2'   DT   5           H2'       DT   5 -11.127  -5.089  -8.608
   55   H2''   DT   5          H2''       DT   5 -10.214  -5.604 -10.019
   56    H1'   DT   5           H1'       DT   5  -8.618  -3.883  -9.813
   57    H3    DT   5           H3        DT   5  -6.211  -4.563  -6.133
   58    H71   DT   5           H71       DT   5 -10.655  -2.675  -4.232
   59    H72   DT   5           H72       DT   5  -9.689  -3.835  -3.290
   60    H73   DT   5           H73       DT   5 -11.068  -4.405  -4.261
   61    H6    DT   5           H6        DT   5 -10.818  -3.576  -6.835
   62    H5'   DT   6           H5'       DT   6  -9.167  -3.617 -12.994
   63   H5''   DT   6          H5''       DT   6  -8.408  -4.565 -14.290
   64    H4'   DT   6           H4'       DT   6  -7.345  -3.969 -11.804
   65    H3'   DT   6           H3'       DT   6  -6.529  -5.813 -14.010
   66   HO3'   DT   6          HO3'       DT   6  -6.062  -3.378 -13.322
   67    H2'   DT   6           H2'       DT   6  -4.947  -6.905 -12.569
   68   H2''   DT   6          H2''       DT   6  -5.029  -5.632 -11.359
   69    H1'   DT   6           H1'       DT   6  -6.594  -7.096 -10.360
   70    H3    DT   6           H3        DT   6  -6.150 -11.154 -12.655
   71    H71   DT   6           H71       DT   6 -10.880  -8.747 -13.481
   72    H72   DT   6           H72       DT   6 -10.614 -10.484 -13.763
   73    H73   DT   6           H73       DT   6 -10.110  -9.296 -14.989
   74    H6    DT   6           H6        DT   6  -9.091  -7.398 -12.656
   75    H1   MET   1           H        MET   1  10.806  -1.793  15.540
   76    H1   MET   1           HT1      MET   1  10.492  -0.781  14.221
   77    H2   MET   1           H2       MET   1  11.009  -2.371  13.964
   78    HA   MET   1           HA       MET   1   8.990  -3.245  14.887
   79    HB2  MET   1           HB2      MET   1   8.320  -0.324  15.270
   80    HB3  MET   1           HB3      MET   1   7.135  -1.618  15.381
   81    HG2  MET   1           HG2      MET   1   9.177  -2.430  17.061
   82    HG3  MET   1           HG3      MET   1   9.059  -0.692  17.329
   83    HE1  MET   1           HE1      MET   1   8.595  -2.266  19.801
   84    HE2  MET   1           HE2      MET   1   8.160  -3.740  18.936
   85    HE3  MET   1           HE3      MET   1   7.024  -3.019  20.075
   86    H    GLU   2           H        GLU   2  10.262  -2.008  12.362
   87    HA   GLU   2           HA       GLU   2   7.798  -1.997  10.750
   88    HB2  GLU   2           HB2      GLU   2   9.343  -0.742   9.065
   89    HB3  GLU   2           HB3      GLU   2   8.626   0.141  10.407
   90    HG2  GLU   2           HG2      GLU   2  11.155  -0.977  11.185
   91    HG3  GLU   2           HG3      GLU   2  11.327  -0.020   9.715
   92    H    GLU   3           H        GLU   3   7.595  -3.531   9.252
   93    HA   GLU   3           HA       GLU   3   9.854  -5.336   8.823
   94    HB2  GLU   3           HB2      GLU   3   8.304  -6.973   8.162
   95    HB3  GLU   3           HB3      GLU   3   7.533  -6.142   9.504
   96    HG2  GLU   3           HG2      GLU   3   6.476  -4.698   7.581
   97    HG3  GLU   3           HG3      GLU   3   6.845  -6.125   6.613
   98    H    LYS   4           H        LYS   4   9.896  -6.371   6.552
   99    HA   LYS   4           HA       LYS   4  10.083  -4.116   4.614
  100    HB2  LYS   4           HB2      LYS   4  11.345  -5.959   3.303
  101    HB3  LYS   4           HB3      LYS   4  12.133  -5.164   4.658
  102    HG2  LYS   4           HG2      LYS   4  10.625  -7.643   5.231
  103    HG3  LYS   4           HG3      LYS   4  12.138  -7.798   4.338
  104    HD2  LYS   4           HD2      LYS   4  12.220  -6.044   6.707
  105    HD3  LYS   4           HD3      LYS   4  11.971  -7.759   7.034
  106    HE2  LYS   4           HE2      LYS   4  13.968  -7.889   5.222
  107    HE3  LYS   4           HE3      LYS   4  14.338  -6.347   5.992
  108    HZ1  LYS   4           HZ1      LYS   4  13.979  -8.939   7.397
  109    HZ2  LYS   4           HZ2      LYS   4  14.334  -7.460   8.137
  110    HZ3  LYS   4           HZ3      LYS   4  15.458  -8.176   7.095
  111    H    VAL   5           H        VAL   5   9.736  -4.877   2.274
  112    HA   VAL   5           HA       VAL   5   6.997  -5.651   2.032
  113    HB   VAL   5           HB       VAL   5   9.084  -5.265  -0.124
  114   HG11  VAL   5          HG11      VAL   5   7.272  -6.546  -1.012
  115   HG12  VAL   5          HG12      VAL   5   7.099  -4.884  -1.584
  116   HG13  VAL   5          HG13      VAL   5   6.084  -5.474  -0.268
  117   HG21  VAL   5          HG21      VAL   5   7.013  -3.351   0.950
  118   HG22  VAL   5          HG22      VAL   5   8.109  -3.043  -0.397
  119   HG23  VAL   5          HG23      VAL   5   8.751  -3.258   1.231
  120    H    GLY   6           H        GLY   6  10.095  -7.232   1.467
  121    HA2  GLY   6           HA2      GLY   6   8.939  -9.553   0.230
  122    HA3  GLY   6           HA3      GLY   6  10.604  -9.373   0.760
  123    H    ASN   7           H        ASN   7   8.650  -8.537   3.304
  124    HA   ASN   7           HA       ASN   7   8.561 -11.291   4.332
  125    HB2  ASN   7           HB2      ASN   7  10.422  -9.653   5.193
  126    HB3  ASN   7           HB3      ASN   7   9.112  -8.998   6.168
  127   HD21  ASN   7          HD21      ASN   7   9.520  -9.685   8.142
  128   HD22  ASN   7          HD22      ASN   7   9.808 -11.292   8.599
  129    H    LEU   8           H        LEU   8   6.742  -8.720   3.463
  130    HA   LEU   8           HA       LEU   8   4.947  -8.582   5.711
  131    HB2  LEU   8           HB2      LEU   8   3.928  -6.876   4.614
  132    HB3  LEU   8           HB3      LEU   8   5.460  -6.848   3.763
  133    HG   LEU   8           HG       LEU   8   4.061  -8.587   2.214
  134   HD11  LEU   8          HD11      LEU   8   1.899  -8.551   2.792
  135   HD12  LEU   8          HD12      LEU   8   1.881  -6.912   2.046
  136   HD13  LEU   8          HD13      LEU   8   2.129  -7.097   3.803
  137   HD21  LEU   8          HD21      LEU   8   5.311  -6.791   1.303
  138   HD22  LEU   8          HD22      LEU   8   4.255  -5.593   2.053
  139   HD23  LEU   8          HD23      LEU   8   3.648  -6.605   0.742
  140    H    LYS   9           H        LYS   9   2.746  -9.338   5.720
  141    HA   LYS   9           HA       LYS   9   2.006 -11.293   3.753
  142    HB2  LYS   9           HB2      LYS   9   1.370 -12.752   5.341
  143    HB3  LYS   9           HB3      LYS   9   2.945 -12.285   5.746
  144    HG2  LYS   9           HG2      LYS   9   2.245 -11.672   7.798
  145    HG3  LYS   9           HG3      LYS   9   1.029 -10.658   7.060
  146    HD2  LYS   9           HD2      LYS   9  -0.392 -12.072   8.135
  147    HD3  LYS   9           HD3      LYS   9  -0.124 -13.053   6.692
  148    HE2  LYS   9           HE2      LYS   9   0.574 -14.669   8.057
  149    HE3  LYS   9           HE3      LYS   9   2.007 -13.684   8.348
  150    HZ1  LYS   9           HZ1      LYS   9   0.872 -12.661  10.224
  151    HZ2  LYS   9           HZ2      LYS   9   0.958 -14.340  10.416
  152    HZ3  LYS   9           HZ3      LYS   9  -0.496 -13.617   9.945
  153    HA   PRO  10           HA       PRO  10  -1.859  -9.157   3.827
  154    HB2  PRO  10           HB2      PRO  10  -3.550 -11.025   2.894
  155    HB3  PRO  10           HB3      PRO  10  -2.327 -10.273   1.898
  156    HG2  PRO  10           HG2      PRO  10  -2.301 -12.945   3.221
  157    HG3  PRO  10           HG3      PRO  10  -1.726 -12.512   1.600
  158    HD2  PRO  10           HD2      PRO  10  -0.002 -12.771   3.753
  159    HD3  PRO  10           HD3      PRO  10   0.284 -11.776   2.360
  160    H    ASN  11           H        ASN  11  -4.054  -9.214   4.683
  161    HA   ASN  11           HA       ASN  11  -5.652  -9.583   6.291
  162    HB2  ASN  11           HB2      ASN  11  -4.319 -12.197   6.121
  163    HB3  ASN  11           HB3      ASN  11  -5.115 -11.889   7.662
  164   HD21  ASN  11          HD21      ASN  11  -5.577 -12.047   4.185
  165   HD22  ASN  11          HD22      ASN  11  -7.297 -12.365   4.245
  166    H    MET  12           H        MET  12  -3.009  -8.256   6.884
  167    HA   MET  12           HA       MET  12  -2.945  -8.631   9.752
  168    HB2  MET  12           HB2      MET  12  -0.996  -7.336   7.845
  169    HB3  MET  12           HB3      MET  12  -0.843  -7.357   9.547
  170    HG2  MET  12           HG2      MET  12  -1.173  -9.991   9.061
  171    HG3  MET  12           HG3      MET  12  -0.335  -9.423   7.626
  172    HE1  MET  12           HE1      MET  12   2.136  -8.710   7.503
  173    HE2  MET  12           HE2      MET  12   3.072  -8.203   8.927
  174    HE3  MET  12           HE3      MET  12   1.657  -7.279   8.425
  175    H    GLU  13           H        GLU  13  -3.824  -7.147  11.036
  176    HA   GLU  13           HA       GLU  13  -4.921  -4.735   9.879
  177    HB2  GLU  13           HB2      GLU  13  -5.024  -5.147  12.811
  178    HB3  GLU  13           HB3      GLU  13  -6.283  -4.628  11.700
  179    HG2  GLU  13           HG2      GLU  13  -6.075  -7.138  10.882
  180    HG3  GLU  13           HG3      GLU  13  -5.486  -7.359  12.529
  181    H    SER  14           H        SER  14  -1.931  -5.306  10.448
  182    HA   SER  14           HA       SER  14  -1.298  -2.593  11.174
  183    HB2  SER  14           HB2      SER  14   0.362  -3.503  12.973
  184    HB3  SER  14           HB3      SER  14  -1.330  -3.272  13.407
  185    HG   SER  14           HG       SER  14  -0.118  -5.716  12.627
  186    H    VAL  15           H        VAL  15   0.151  -2.060   9.681
  187    HA   VAL  15           HA       VAL  15   2.386  -3.881   9.164
  188    HB   VAL  15           HB       VAL  15   1.372  -2.490   6.765
  189   HG11  VAL  15          HG11      VAL  15   2.053  -4.585   5.694
  190   HG12  VAL  15          HG12      VAL  15   2.387  -5.284   7.279
  191   HG13  VAL  15          HG13      VAL  15   3.340  -3.918   6.699
  192   HG21  VAL  15          HG21      VAL  15  -0.538  -3.656   6.397
  193   HG22  VAL  15          HG22      VAL  15  -0.597  -3.641   8.161
  194   HG23  VAL  15          HG23      VAL  15   0.012  -5.061   7.309
  195    H    ASN  16           H        ASN  16   4.107  -2.754   9.723
  196    HA   ASN  16           HA       ASN  16   4.280   0.102   9.054
  197    HB2  ASN  16           HB2      ASN  16   4.826  -1.278  11.405
  198    HB3  ASN  16           HB3      ASN  16   6.365  -0.770  10.741
  199   HD21  ASN  16          HD21      ASN  16   6.065   1.578   9.740
  200   HD22  ASN  16          HD22      ASN  16   5.424   2.709  10.902
  201    H    VAL  17           H        VAL  17   5.683   0.739   7.500
  202    HA   VAL  17           HA       VAL  17   8.074  -0.791   6.971
  203    HB   VAL  17           HB       VAL  17   6.696  -2.209   5.777
  204   HG11  VAL  17          HG11      VAL  17   4.781  -0.448   5.865
  205   HG12  VAL  17          HG12      VAL  17   4.785  -1.690   4.589
  206   HG13  VAL  17          HG13      VAL  17   5.338  -0.058   4.223
  207   HG21  VAL  17          HG21      VAL  17   8.601  -1.646   4.415
  208   HG22  VAL  17          HG22      VAL  17   7.806  -0.183   3.835
  209   HG23  VAL  17          HG23      VAL  17   7.203  -1.767   3.346
  210    H    THR  18           H        THR  18   9.503   0.211   5.507
  211    HA   THR  18           HA       THR  18   8.867   3.004   4.836
  212    HB   THR  18           HB       THR  18  11.723   2.294   4.986
  213    HG1  THR  18           HG1      THR  18  11.630   2.491   7.351
  214   HG21  THR  18          HG21      THR  18   9.989   4.597   5.334
  215   HG22  THR  18          HG22      THR  18  11.715   4.529   4.919
  216   HG23  THR  18          HG23      THR  18  11.196   4.474   6.617
  217    H    VAL  19           H        VAL  19   9.095   3.541   2.666
  218    HA   VAL  19           HA       VAL  19  10.625   1.930   0.919
  219    HB   VAL  19           HB       VAL  19   8.783   1.476  -0.666
  220   HG11  VAL  19          HG11      VAL  19   9.426  -0.289   0.727
  221   HG12  VAL  19          HG12      VAL  19   7.633  -0.190   0.518
  222   HG13  VAL  19          HG13      VAL  19   8.446   0.397   2.081
  223   HG21  VAL  19          HG21      VAL  19   7.161   3.103  -0.182
  224   HG22  VAL  19          HG22      VAL  19   7.134   2.688   1.529
  225   HG23  VAL  19          HG23      VAL  19   6.435   1.581   0.346
  226    H    ARG  20           H        ARG  20  10.067   2.756  -1.452
  227    HA   ARG  20           HA       ARG  20   9.945   5.642  -1.331
  228    HB2  ARG  20           HB2      ARG  20  12.146   4.526  -1.948
  229    HB3  ARG  20           HB3      ARG  20  11.404   4.072  -3.449
  230    HG2  ARG  20           HG2      ARG  20  12.191   6.062  -4.211
  231    HG3  ARG  20           HG3      ARG  20  10.917   6.807  -3.243
  232    HD2  ARG  20           HD2      ARG  20  12.418   7.011  -1.360
  233    HD3  ARG  20           HD3      ARG  20  13.684   6.156  -2.238
  234    HE   ARG  20           HE       ARG  20  12.672   8.837  -2.928
  235   HH11  ARG  20          HH11      ARG  20  15.190   6.422  -2.933
  236   HH12  ARG  20          HH12      ARG  20  16.369   7.470  -3.644
  237   HH21  ARG  20          HH21      ARG  20  14.221  10.222  -3.865
  238   HH22  ARG  20          HH22      ARG  20  15.819   9.629  -4.174
  239    H    VAL  21           H        VAL  21   8.920   6.766  -3.106
  240    HA   VAL  21           HA       VAL  21   6.575   5.336  -4.055
  241    HB   VAL  21           HB       VAL  21   7.584   8.109  -4.950
  242   HG11  VAL  21          HG11      VAL  21   5.215   8.507  -5.395
  243   HG12  VAL  21          HG12      VAL  21   4.872   6.830  -4.968
  244   HG13  VAL  21          HG13      VAL  21   5.869   7.196  -6.377
  245   HG21  VAL  21          HG21      VAL  21   6.191   9.031  -3.198
  246   HG22  VAL  21          HG22      VAL  21   7.466   8.016  -2.523
  247   HG23  VAL  21          HG23      VAL  21   5.816   7.402  -2.634
  248    H    LEU  22           H        LEU  22   6.361   4.292  -5.898
  249    HA   LEU  22           HA       LEU  22   8.441   4.460  -7.949
  250    HB2  LEU  22           HB2      LEU  22   6.369   2.297  -7.617
  251    HB3  LEU  22           HB3      LEU  22   7.796   2.260  -8.590
  252    HG   LEU  22           HG       LEU  22   7.672   2.157  -5.606
  253   HD11  LEU  22          HD11      LEU  22   8.836   0.159  -7.526
  254   HD12  LEU  22          HD12      LEU  22   7.176   0.082  -6.939
  255   HD13  LEU  22          HD13      LEU  22   8.519  -0.044  -5.803
  256   HD21  LEU  22          HD21      LEU  22  10.174   2.081  -7.276
  257   HD22  LEU  22          HD22      LEU  22  10.024   2.151  -5.522
  258   HD23  LEU  22          HD23      LEU  22   9.577   3.546  -6.492
  259    H    GLU  23           H        GLU  23   5.144   4.964  -7.240
  260    HA   GLU  23           HA       GLU  23   4.721   6.354  -9.762
  261    HB2  GLU  23           HB2      GLU  23   4.306   3.784 -10.113
  262    HB3  GLU  23           HB3      GLU  23   2.786   4.119  -9.294
  263    HG2  GLU  23           HG2      GLU  23   1.979   4.634 -11.296
  264    HG3  GLU  23           HG3      GLU  23   2.935   6.110 -11.189
  265    H    ALA  24           H        ALA  24   2.432   7.238  -9.874
  266    HA   ALA  24           HA       ALA  24   0.900   7.281  -7.452
  267    HB1  ALA  24           HB1      ALA  24   2.419   9.778  -8.221
  268    HB2  ALA  24           HB2      ALA  24   2.719   8.776  -6.801
  269    HB3  ALA  24           HB3      ALA  24   1.201   9.661  -6.952
  270    H    SER  25           H        SER  25  -1.161   7.600  -7.973
  271    HA   SER  25           HA       SER  25  -1.753   8.932 -10.541
  272    HB2  SER  25           HB2      SER  25  -2.383   6.365  -9.883
  273    HB3  SER  25           HB3      SER  25  -3.842   7.209  -9.362
  274    HG   SER  25           HG       SER  25  -3.441   6.448 -11.730
  275    H    GLU  26           H        GLU  26  -3.632  10.283 -10.641
  276    HA   GLU  26           HA       GLU  26  -3.961  11.944  -8.395
  277    HB2  GLU  26           HB2      GLU  26  -5.818  11.787 -10.769
  278    HB3  GLU  26           HB3      GLU  26  -5.521  13.155  -9.724
  279    HG2  GLU  26           HG2      GLU  26  -3.411  11.952 -11.473
  280    HG3  GLU  26           HG3      GLU  26  -4.457  13.278 -11.981
  281    H    ALA  27           H        ALA  27  -5.862  12.371  -7.217
  282    HA   ALA  27           HA       ALA  27  -7.037   9.953  -6.278
  283    HB1  ALA  27           HB1      ALA  27  -7.885  11.355  -4.495
  284    HB2  ALA  27           HB2      ALA  27  -7.422  12.798  -5.400
  285    HB3  ALA  27           HB3      ALA  27  -6.161  11.678  -4.818
  286    H    ARG  28           H        ARG  28  -8.915   9.088  -6.687
  287    HA   ARG  28           HA       ARG  28 -10.983  10.635  -8.101
  288    HB2  ARG  28           HB2      ARG  28 -10.169   9.415  -9.879
  289    HB3  ARG  28           HB3      ARG  28  -9.622   8.093  -8.864
  290    HG2  ARG  28           HG2      ARG  28 -12.385   8.001  -8.659
  291    HG3  ARG  28           HG3      ARG  28 -12.084   8.397 -10.351
  292    HD2  ARG  28           HD2      ARG  28 -10.767   6.456 -10.668
  293    HD3  ARG  28           HD3      ARG  28 -10.665   6.154  -8.933
  294    HE   ARG  28           HE       ARG  28 -13.334   6.086 -10.061
  295   HH11  ARG  28          HH11      ARG  28 -10.507   4.247  -9.154
  296   HH12  ARG  28          HH12      ARG  28 -11.368   2.752  -9.021
  297   HH21  ARG  28          HH21      ARG  28 -14.468   4.115  -9.880
  298   HH22  ARG  28          HH22      ARG  28 -13.614   2.676  -9.428
  299    H    GLN  29           H        GLN  29 -13.150   9.735  -7.933
  300    HA   GLN  29           HA       GLN  29 -13.701   8.691  -5.288
  301    HB2  GLN  29           HB2      GLN  29 -15.429   9.787  -7.498
  302    HB3  GLN  29           HB3      GLN  29 -16.107   9.075  -6.042
  303    HG2  GLN  29           HG2      GLN  29 -14.900  10.728  -4.703
  304    HG3  GLN  29           HG3      GLN  29 -14.304  11.473  -6.185
  305   HE21  GLN  29          HE21      GLN  29 -17.087  10.924  -4.169
  306   HE22  GLN  29          HE22      GLN  29 -18.107  12.108  -4.906
  307    H    ILE  30           H        ILE  30 -14.602   6.742  -4.814
  308    HA   ILE  30           HA       ILE  30 -15.198   4.935  -7.063
  309    HB   ILE  30           HB       ILE  30 -14.300   3.070  -5.889
  310   HG12  ILE  30          HG12      ILE  30 -13.579   4.796  -3.538
  311   HG13  ILE  30          HG13      ILE  30 -15.153   4.011  -3.655
  312   HG21  ILE  30          HG21      ILE  30 -12.465   5.449  -5.761
  313   HG22  ILE  30          HG22      ILE  30 -12.528   4.175  -6.982
  314   HG23  ILE  30          HG23      ILE  30 -11.916   3.816  -5.359
  315   HD11  ILE  30          HD11      ILE  30 -14.186   1.862  -3.574
  316   HD12  ILE  30          HD12      ILE  30 -13.370   2.805  -2.327
  317   HD13  ILE  30          HD13      ILE  30 -12.568   2.497  -3.867
  318    H    GLN  31           H        GLN  31 -16.752   3.214  -6.464
  319    HA   GLN  31           HA       GLN  31 -18.707   4.179  -4.495
  320    HB2  GLN  31           HB2      GLN  31 -19.089   2.745  -7.118
  321    HB3  GLN  31           HB3      GLN  31 -20.365   2.847  -5.913
  322    HG2  GLN  31           HG2      GLN  31 -20.360   5.260  -6.064
  323    HG3  GLN  31           HG3      GLN  31 -19.008   5.209  -7.194
  324   HE21  GLN  31          HE21      GLN  31 -19.357   4.522  -9.307
  325   HE22  GLN  31          HE22      GLN  31 -20.940   4.429  -9.993
  326    H    THR  32           H        THR  32 -18.760   2.981  -2.721
  327    HA   THR  32           HA       THR  32 -18.194   0.097  -2.932
  328    HB   THR  32           HB       THR  32 -17.544   0.117  -0.599
  329    HG1  THR  32           HG1      THR  32 -18.886   2.414  -0.565
  330   HG21  THR  32          HG21      THR  32 -16.250   2.013  -2.500
  331   HG22  THR  32          HG22      THR  32 -15.670   0.466  -1.888
  332   HG23  THR  32          HG23      THR  32 -15.627   1.900  -0.852
  333    H    LYS  33           H        LYS  33 -19.118  -0.880  -0.654
  334    HA   LYS  33           HA       LYS  33 -21.968  -0.823  -1.048
  335    HB2  LYS  33           HB2      LYS  33 -22.017  -2.654   0.566
  336    HB3  LYS  33           HB3      LYS  33 -20.782  -2.940  -0.651
  337    HG2  LYS  33           HG2      LYS  33 -19.038  -2.402   0.849
  338    HG3  LYS  33           HG3      LYS  33 -20.167  -1.735   2.030
  339    HD2  LYS  33           HD2      LYS  33 -21.164  -4.052   2.194
  340    HD3  LYS  33           HD3      LYS  33 -19.784  -4.619   1.253
  341    HE2  LYS  33           HE2      LYS  33 -18.258  -3.772   2.952
  342    HE3  LYS  33           HE3      LYS  33 -19.621  -3.150   3.882
  343    HZ1  LYS  33           HZ1      LYS  33 -19.021  -5.998   3.306
  344    HZ2  LYS  33           HZ2      LYS  33 -20.429  -5.459   4.070
  345    HZ3  LYS  33           HZ3      LYS  33 -18.925  -5.225   4.808
  346    H    ASN  34           H        ASN  34 -19.796   0.935   0.774
  347    HA   ASN  34           HA       ASN  34 -21.791   1.519   2.867
  348    HB2  ASN  34           HB2      ASN  34 -18.791   1.878   2.849
  349    HB3  ASN  34           HB3      ASN  34 -19.837   2.549   4.096
  350   HD21  ASN  34          HD21      ASN  34 -20.899   1.153   5.520
  351   HD22  ASN  34          HD22      ASN  34 -20.377  -0.478   5.748
  352    H    GLY  35           H        GLY  35 -21.060   2.629  -0.026
  353    HA2  GLY  35           HA2      GLY  35 -22.200   4.762  -0.580
  354    HA3  GLY  35           HA3      GLY  35 -21.341   5.463   0.783
  355    H    VAL  36           H        VAL  36 -20.434   7.066  -0.592
  356    HA   VAL  36           HA       VAL  36 -18.427   6.001  -2.450
  357    HB   VAL  36           HB       VAL  36 -20.065   7.352  -3.597
  358   HG11  VAL  36          HG11      VAL  36 -20.349   9.730  -3.155
  359   HG12  VAL  36          HG12      VAL  36 -19.224   9.629  -1.801
  360   HG13  VAL  36          HG13      VAL  36 -20.767   8.779  -1.730
  361   HG21  VAL  36          HG21      VAL  36 -17.432   8.801  -3.395
  362   HG22  VAL  36          HG22      VAL  36 -18.586   8.908  -4.726
  363   HG23  VAL  36          HG23      VAL  36 -17.762   7.383  -4.393
  364    H    ARG  37           H        ARG  37 -16.388   6.546  -2.352
  365    HA   ARG  37           HA       ARG  37 -15.377   8.401  -0.319
  366    HB2  ARG  37           HB2      ARG  37 -13.651   6.782   0.125
  367    HB3  ARG  37           HB3      ARG  37 -15.190   6.500   0.861
  368    HG2  ARG  37           HG2      ARG  37 -14.645   5.158  -1.731
  369    HG3  ARG  37           HG3      ARG  37 -13.890   4.512  -0.278
  370    HD2  ARG  37           HD2      ARG  37 -16.766   5.185  -0.169
  371    HD3  ARG  37           HD3      ARG  37 -16.290   3.741  -1.055
  372    HE   ARG  37           HE       ARG  37 -15.183   3.022   1.065
  373   HH11  ARG  37          HH11      ARG  37 -17.845   5.290   1.137
  374   HH12  ARG  37          HH12      ARG  37 -18.316   4.876   2.750
  375   HH21  ARG  37          HH21      ARG  37 -15.791   2.500   3.194
  376   HH22  ARG  37          HH22      ARG  37 -17.152   3.290   3.917
  377    H    THR  38           H        THR  38 -12.972   8.727  -0.610
  378    HA   THR  38           HA       THR  38 -12.475   8.964  -3.509
  379    HB   THR  38           HB       THR  38 -11.021  10.983  -2.679
  380    HG1  THR  38           HG1      THR  38 -11.384  11.566  -0.695
  381   HG21  THR  38          HG21      THR  38 -14.017  11.179  -2.903
  382   HG22  THR  38          HG22      THR  38 -12.878  11.176  -4.251
  383   HG23  THR  38          HG23      THR  38 -12.879  12.511  -3.098
  384    H    ILE  39           H        ILE  39 -10.964   7.553  -3.963
  385    HA   ILE  39           HA       ILE  39  -8.632   7.477  -2.176
  386    HB   ILE  39           HB       ILE  39  -8.423   5.070  -2.757
  387   HG12  ILE  39          HG12      ILE  39 -11.299   4.986  -3.415
  388   HG13  ILE  39          HG13      ILE  39 -10.236   5.576  -4.694
  389   HG21  ILE  39          HG21      ILE  39  -9.304   4.845  -0.748
  390   HG22  ILE  39          HG22      ILE  39 -10.920   4.883  -1.453
  391   HG23  ILE  39          HG23      ILE  39 -10.149   6.381  -0.932
  392   HD11  ILE  39          HD11      ILE  39  -8.887   3.390  -3.909
  393   HD12  ILE  39          HD12      ILE  39 -10.119   3.375  -5.166
  394   HD13  ILE  39          HD13      ILE  39 -10.533   2.898  -3.519
  395    H    SER  40           H        SER  40  -6.871   6.145  -3.335
  396    HA   SER  40           HA       SER  40  -6.758   6.483  -6.188
  397    HB2  SER  40           HB2      SER  40  -6.127   8.731  -5.183
  398    HB3  SER  40           HB3      SER  40  -4.699   7.921  -4.517
  399    HG   SER  40           HG       SER  40  -5.127   8.826  -7.006
  400    H    GLU  41           H        GLU  41  -4.596   5.743  -6.999
  401    HA   GLU  41           HA       GLU  41  -3.532   3.704  -5.203
  402    HB2  GLU  41           HB2      GLU  41  -5.059   3.080  -7.252
  403    HB3  GLU  41           HB3      GLU  41  -3.588   3.355  -8.169
  404    HG2  GLU  41           HG2      GLU  41  -2.877   1.699  -6.015
  405    HG3  GLU  41           HG3      GLU  41  -4.394   1.067  -6.646
  406    H    ALA  42           H        ALA  42  -1.350   3.419  -5.154
  407    HA   ALA  42           HA       ALA  42   0.346   4.864  -7.032
  408    HB1  ALA  42           HB1      ALA  42  -0.156   6.504  -5.280
  409    HB2  ALA  42           HB2      ALA  42   1.549   6.057  -5.298
  410    HB3  ALA  42           HB3      ALA  42   0.476   5.394  -4.065
  411    H    ILE  43           H        ILE  43   2.106   3.696  -7.481
  412    HA   ILE  43           HA       ILE  43   2.572   1.236  -6.043
  413    HB   ILE  43           HB       ILE  43   4.101   2.353  -8.394
  414   HG12  ILE  43          HG12      ILE  43   1.812   2.143  -9.067
  415   HG13  ILE  43          HG13      ILE  43   2.682   0.765  -9.730
  416   HG21  ILE  43          HG21      ILE  43   4.906   0.141  -8.758
  417   HG22  ILE  43          HG22      ILE  43   3.863  -0.511  -7.494
  418   HG23  ILE  43          HG23      ILE  43   5.209   0.546  -7.069
  419   HD11  ILE  43          HD11      ILE  43   1.855  -0.563  -7.762
  420   HD12  ILE  43          HD12      ILE  43   0.622  -0.043  -8.912
  421   HD13  ILE  43          HD13      ILE  43   0.816   0.812  -7.382
  422    H    VAL  44           H        VAL  44   3.998   0.940  -4.537
  423    HA   VAL  44           HA       VAL  44   6.424   2.573  -4.236
  424    HB   VAL  44           HB       VAL  44   6.077   1.555  -1.641
  425   HG11  VAL  44          HG11      VAL  44   5.172   4.025  -3.008
  426   HG12  VAL  44          HG12      VAL  44   5.668   3.827  -1.320
  427   HG13  VAL  44          HG13      VAL  44   3.978   3.499  -1.810
  428   HG21  VAL  44          HG21      VAL  44   4.099   0.383  -2.571
  429   HG22  VAL  44          HG22      VAL  44   3.408   1.981  -2.916
  430   HG23  VAL  44          HG23      VAL  44   3.714   1.495  -1.242
  431    H    GLY  45           H        GLY  45   7.977   1.469  -2.983
  432    HA2  GLY  45           HA2      GLY  45   7.926  -1.145  -2.158
  433    HA3  GLY  45           HA3      GLY  45   8.507  -1.236  -3.813
  434    H    ASP  46           H        ASP  46  10.123  -2.190  -1.921
  435    HA   ASP  46           HA       ASP  46  12.230  -0.142  -1.728
  436    HB2  ASP  46           HB2      ASP  46  12.958  -1.218   0.398
  437    HB3  ASP  46           HB3      ASP  46  11.363  -0.487   0.507
  438    H    GLU  47           H        GLU  47  14.228  -1.780  -0.748
  439    HA   GLU  47           HA       GLU  47  15.023  -3.154  -3.112
  440    HB2  GLU  47           HB2      GLU  47  17.047  -3.772  -1.702
  441    HB3  GLU  47           HB3      GLU  47  16.759  -2.057  -1.951
  442    HG2  GLU  47           HG2      GLU  47  16.531  -1.678   0.228
  443    HG3  GLU  47           HG3      GLU  47  15.449  -3.054   0.435
  444    H    THR  48           H        THR  48  12.949  -4.110  -0.751
  445    HA   THR  48           HA       THR  48  13.849  -6.908  -0.804
  446    HB   THR  48           HB       THR  48  12.643  -7.282   1.147
  447    HG1  THR  48           HG1      THR  48  10.835  -5.758   0.084
  448   HG21  THR  48          HG21      THR  48  14.551  -5.550   1.299
  449   HG22  THR  48          HG22      THR  48  13.477  -5.745   2.683
  450   HG23  THR  48          HG23      THR  48  13.257  -4.385   1.581
  451    H    GLY  49           H        GLY  49  11.915  -5.005  -2.648
  452    HA2  GLY  49           HA2      GLY  49  10.766  -6.691  -4.270
  453    HA3  GLY  49           HA3      GLY  49   9.734  -6.937  -2.870
  454    H    ARG  50           H        ARG  50   7.900  -6.189  -3.872
  455    HA   ARG  50           HA       ARG  50   7.573  -3.350  -3.927
  456    HB2  ARG  50           HB2      ARG  50   8.415  -3.707  -6.173
  457    HB3  ARG  50           HB3      ARG  50   7.260  -5.011  -6.429
  458    HG2  ARG  50           HG2      ARG  50   5.542  -3.103  -5.828
  459    HG3  ARG  50           HG3      ARG  50   6.854  -2.090  -6.425
  460    HD2  ARG  50           HD2      ARG  50   5.902  -4.478  -7.970
  461    HD3  ARG  50           HD3      ARG  50   5.062  -2.937  -8.080
  462    HE   ARG  50           HE       ARG  50   7.919  -2.898  -8.573
  463   HH11  ARG  50          HH11      ARG  50   4.702  -2.946  -9.912
  464   HH12  ARG  50          HH12      ARG  50   5.207  -2.392 -11.474
  465   HH21  ARG  50          HH21      ARG  50   8.592  -2.165 -10.621
  466   HH22  ARG  50          HH22      ARG  50   7.419  -1.950 -11.877
  467    H    VAL  51           H        VAL  51   5.493  -2.785  -3.675
  468    HA   VAL  51           HA       VAL  51   3.360  -4.726  -3.850
  469    HB   VAL  51           HB       VAL  51   4.109  -5.122  -1.604
  470   HG11  VAL  51          HG11      VAL  51   3.892  -2.145  -1.164
  471   HG12  VAL  51          HG12      VAL  51   5.388  -3.075  -1.252
  472   HG13  VAL  51          HG13      VAL  51   4.259  -3.344   0.075
  473   HG21  VAL  51          HG21      VAL  51   1.686  -3.357  -1.647
  474   HG22  VAL  51          HG22      VAL  51   2.122  -4.437  -0.322
  475   HG23  VAL  51          HG23      VAL  51   1.725  -5.099  -1.910
  476    H    LYS  52           H        LYS  52   1.459  -3.812  -4.430
  477    HA   LYS  52           HA       LYS  52   1.348  -1.097  -5.196
  478    HB2  LYS  52           HB2      LYS  52  -1.131  -2.729  -4.791
  479    HB3  LYS  52           HB3      LYS  52  -0.774  -1.566  -6.060
  480    HG2  LYS  52           HG2      LYS  52   1.046  -3.829  -6.120
  481    HG3  LYS  52           HG3      LYS  52  -0.640  -4.331  -6.241
  482    HD2  LYS  52           HD2      LYS  52  -0.992  -2.961  -8.155
  483    HD3  LYS  52           HD3      LYS  52   0.573  -2.169  -7.951
  484    HE2  LYS  52           HE2      LYS  52   0.671  -3.803  -9.750
  485    HE3  LYS  52           HE3      LYS  52   1.703  -4.302  -8.410
  486    HZ1  LYS  52           HZ1      LYS  52  -0.036  -5.821  -7.686
  487    HZ2  LYS  52           HZ2      LYS  52   0.409  -6.154  -9.283
  488    HZ3  LYS  52           HZ3      LYS  52  -1.033  -5.332  -8.963
  489    H    LEU  53           H        LEU  53   0.663   0.704  -4.137
  490    HA   LEU  53           HA       LEU  53  -0.407   0.378  -1.421
  491    HB2  LEU  53           HB2      LEU  53   1.754   1.677  -1.903
  492    HB3  LEU  53           HB3      LEU  53   0.722   2.916  -2.580
  493    HG   LEU  53           HG       LEU  53   1.535   3.231  -0.181
  494   HD11  LEU  53          HD11      LEU  53  -0.258   4.571  -1.154
  495   HD12  LEU  53          HD12      LEU  53  -0.550   4.236   0.552
  496   HD13  LEU  53          HD13      LEU  53  -1.433   3.341  -0.685
  497   HD21  LEU  53          HD21      LEU  53   0.304   2.126   1.568
  498   HD22  LEU  53          HD22      LEU  53   1.103   0.926   0.551
  499   HD23  LEU  53          HD23      LEU  53  -0.630   1.217   0.380
  500    H    THR  54           H        THR  54  -2.269   1.271  -0.826
  501    HA   THR  54           HA       THR  54  -3.852   2.746  -2.783
  502    HB   THR  54           HB       THR  54  -5.261   0.911  -0.886
  503    HG1  THR  54           HG1      THR  54  -3.881   0.209  -3.256
  504   HG21  THR  54          HG21      THR  54  -6.124   1.434  -3.658
  505   HG22  THR  54          HG22      THR  54  -6.065   2.830  -2.590
  506   HG23  THR  54          HG23      THR  54  -7.061   1.440  -2.165
  507    H    LEU  55           H        LEU  55  -4.063   4.657  -1.984
  508    HA   LEU  55           HA       LEU  55  -4.083   5.248   0.815
  509    HB2  LEU  55           HB2      LEU  55  -4.775   7.151  -1.350
  510    HB3  LEU  55           HB3      LEU  55  -3.878   7.438   0.109
  511    HG   LEU  55           HG       LEU  55  -2.458   5.542  -1.486
  512   HD11  LEU  55          HD11      LEU  55  -1.945   7.527  -3.194
  513   HD12  LEU  55          HD12      LEU  55  -3.654   7.798  -2.884
  514   HD13  LEU  55          HD13      LEU  55  -3.118   6.246  -3.505
  515   HD21  LEU  55          HD21      LEU  55  -1.498   6.982   0.260
  516   HD22  LEU  55          HD22      LEU  55  -1.782   8.382  -0.777
  517   HD23  LEU  55          HD23      LEU  55  -0.660   7.121  -1.286
  518    H    TRP  56           H        TRP  56  -5.864   6.448   1.857
  519    HA   TRP  56           HA       TRP  56  -8.455   5.996   0.557
  520    HB2  TRP  56           HB2      TRP  56  -7.545   5.082   3.239
  521    HB3  TRP  56           HB3      TRP  56  -9.254   5.372   2.957
  522    HD1  TRP  56           HD1      TRP  56  -6.446   2.950   2.180
  523    HE1  TRP  56           HE1      TRP  56  -7.349   0.948   0.862
  524    HE3  TRP  56           HE3      TRP  56 -11.196   4.670   1.248
  525    HZ2  TRP  56           HZ2      TRP  56  -9.796   0.192  -0.390
  526    HZ3  TRP  56           HZ3      TRP  56 -12.723   3.243  -0.031
  527    HH2  TRP  56           HH2      TRP  56 -12.043   1.060  -0.831
  528    H    GLY  57           H        GLY  57  -9.657   7.660   0.411
  529    HA2  GLY  57           HA2      GLY  57 -10.787   9.581   0.843
  530    HA3  GLY  57           HA3      GLY  57 -10.298   9.454   2.506
  531    H    LYS  58           H        LYS  58  -8.520  10.718   3.227
  532    HA   LYS  58           HA       LYS  58  -7.882  12.923   1.471
  533    HB2  LYS  58           HB2      LYS  58  -6.468  13.594   3.602
  534    HB3  LYS  58           HB3      LYS  58  -8.208  13.819   3.538
  535    HG2  LYS  58           HG2      LYS  58  -7.780  12.896   5.641
  536    HG3  LYS  58           HG3      LYS  58  -8.389  11.554   4.674
  537    HD2  LYS  58           HD2      LYS  58  -5.742  11.340   4.195
  538    HD3  LYS  58           HD3      LYS  58  -5.715  12.005   5.829
  539    HE2  LYS  58           HE2      LYS  58  -7.447   9.667   5.108
  540    HE3  LYS  58           HE3      LYS  58  -5.753   9.461   5.553
  541    HZ1  LYS  58           HZ1      LYS  58  -7.166   9.193   7.477
  542    HZ2  LYS  58           HZ2      LYS  58  -7.876  10.707   7.223
  543    HZ3  LYS  58           HZ3      LYS  58  -6.245  10.601   7.657
  544    H    HIS  59           H        HIS  59  -6.278  10.027   2.521
  545    HA   HIS  59           HA       HIS  59  -3.623  10.830   1.922
  546    HB2  HIS  59           HB2      HIS  59  -5.004   8.190   2.317
  547    HB3  HIS  59           HB3      HIS  59  -3.362   8.248   1.693
  548    HD2  HIS  59           HD2      HIS  59  -4.802   7.607   4.975
  549    HE1  HIS  59           HE1      HIS  59  -1.379   9.980   5.811
  550    HE2  HIS  59           HE2      HIS  59  -3.137   8.434   6.744
  551    H    ALA  60           H        ALA  60  -6.338   9.872   0.062
  552    HA   ALA  60           HA       ALA  60  -5.187   8.778  -2.208
  553    HB1  ALA  60           HB1      ALA  60  -7.269   8.803  -3.018
  554    HB2  ALA  60           HB2      ALA  60  -7.449  10.537  -2.754
  555    HB3  ALA  60           HB3      ALA  60  -7.721   9.412  -1.423
  556    H    GLY  61           H        GLY  61  -3.873   9.552  -3.719
  557    HA2  GLY  61           HA2      GLY  61  -2.676  11.013  -4.998
  558    HA3  GLY  61           HA3      GLY  61  -4.088  12.005  -4.959
  559    H    SER  62           H        SER  62  -3.045  11.514  -1.826
  560    HA   SER  62           HA       SER  62  -2.117  14.250  -1.663
  561    HB2  SER  62           HB2      SER  62  -3.577  13.633   0.095
  562    HB3  SER  62           HB3      SER  62  -2.701  12.117   0.392
  563    HG   SER  62           HG       SER  62  -1.260  13.168   1.543
  564    H    ILE  63           H        ILE  63  -0.709  11.146  -1.930
  565    HA   ILE  63           HA       ILE  63   1.748  11.750  -0.594
  566    HB   ILE  63           HB       ILE  63   2.600   9.689  -1.856
  567   HG12  ILE  63          HG12      ILE  63   0.043   8.550  -2.338
  568   HG13  ILE  63          HG13      ILE  63   0.081  10.095  -3.177
  569   HG21  ILE  63          HG21      ILE  63   1.435   8.187  -0.343
  570   HG22  ILE  63          HG22      ILE  63   0.153   9.372  -0.092
  571   HG23  ILE  63          HG23      ILE  63   1.786   9.705   0.484
  572   HD11  ILE  63          HD11      ILE  63   0.831   8.371  -4.658
  573   HD12  ILE  63          HD12      ILE  63   2.031   7.827  -3.485
  574   HD13  ILE  63          HD13      ILE  63   2.198   9.408  -4.249
  575    H    LYS  64           H        LYS  64   3.862  11.399  -1.863
  576    HA   LYS  64           HA       LYS  64   3.827  13.278  -4.110
  577    HB2  LYS  64           HB2      LYS  64   5.664  12.747  -1.873
  578    HB3  LYS  64           HB3      LYS  64   6.450  13.000  -3.426
  579    HG2  LYS  64           HG2      LYS  64   5.123  15.121  -3.640
  580    HG3  LYS  64           HG3      LYS  64   4.623  14.885  -1.963
  581    HD2  LYS  64           HD2      LYS  64   7.243  14.619  -1.619
  582    HD3  LYS  64           HD3      LYS  64   7.282  15.616  -3.076
  583    HE2  LYS  64           HE2      LYS  64   6.076  17.361  -2.018
  584    HE3  LYS  64           HE3      LYS  64   5.660  16.336  -0.646
  585    HZ1  LYS  64           HZ1      LYS  64   7.432  17.882  -0.095
  586    HZ2  LYS  64           HZ2      LYS  64   8.396  17.261  -1.339
  587    HZ3  LYS  64           HZ3      LYS  64   7.990  16.286  -0.018
  588    H    GLU  65           H        GLU  65   6.078  12.822  -5.374
  589    HA   GLU  65           HA       GLU  65   5.712  10.254  -6.655
  590    HB2  GLU  65           HB2      GLU  65   6.667  12.870  -7.429
  591    HB3  GLU  65           HB3      GLU  65   7.870  11.649  -7.816
  592    HG2  GLU  65           HG2      GLU  65   6.442  10.523  -9.278
  593    HG3  GLU  65           HG3      GLU  65   5.021  11.291  -8.556
  594    H    GLY  66           H        GLY  66   8.188   9.572  -7.531
  595    HA2  GLY  66           HA2      GLY  66   9.216   7.958  -5.622
  596    HA3  GLY  66           HA3      GLY  66  10.205   8.647  -6.889
  597    H    GLN  67           H        GLN  67   9.111   8.977  -3.593
  598    HA   GLN  67           HA       GLN  67  11.537  10.434  -2.862
  599    HB2  GLN  67           HB2      GLN  67  10.268  11.941  -1.424
  600    HB3  GLN  67           HB3      GLN  67   9.731  12.125  -3.087
  601    HG2  GLN  67           HG2      GLN  67   7.676  11.939  -2.298
  602    HG3  GLN  67           HG3      GLN  67   8.024  10.220  -2.136
  603   HE21  GLN  67          HE21      GLN  67   8.684   9.427  -0.105
  604   HE22  GLN  67          HE22      GLN  67   8.280  10.261   1.353
  605    H    VAL  68           H        VAL  68  11.901  10.227  -0.410
  606    HA   VAL  68           HA       VAL  68  11.384   7.519   0.307
  607    HB   VAL  68           HB       VAL  68  12.742   9.541   2.061
  608   HG11  VAL  68          HG11      VAL  68  12.697   6.620   1.717
  609   HG12  VAL  68          HG12      VAL  68  12.422   7.554   3.181
  610   HG13  VAL  68          HG13      VAL  68  14.059   7.373   2.544
  611   HG21  VAL  68          HG21      VAL  68  14.839   8.932   1.011
  612   HG22  VAL  68          HG22      VAL  68  13.733   9.713  -0.132
  613   HG23  VAL  68          HG23      VAL  68  13.920   7.932  -0.138
  614    H    VAL  69           H        VAL  69   9.572   6.963   1.274
  615    HA   VAL  69           HA       VAL  69   8.347   8.842   3.186
  616    HB   VAL  69           HB       VAL  69   6.378   6.981   2.491
  617   HG11  VAL  69          HG11      VAL  69   5.166   8.874   1.687
  618   HG12  VAL  69          HG12      VAL  69   6.655   9.795   1.456
  619   HG13  VAL  69          HG13      VAL  69   6.120   9.372   3.085
  620   HG21  VAL  69          HG21      VAL  69   8.191   7.296   0.296
  621   HG22  VAL  69          HG22      VAL  69   6.628   7.995  -0.119
  622   HG23  VAL  69          HG23      VAL  69   6.732   6.314   0.401
  623    H    LYS  70           H        LYS  70   6.734   7.494   4.642
  624    HA   LYS  70           HA       LYS  70   7.953   4.962   5.439
  625    HB2  LYS  70           HB2      LYS  70   8.935   6.898   6.772
  626    HB3  LYS  70           HB3      LYS  70   7.334   7.109   7.467
  627    HG2  LYS  70           HG2      LYS  70   7.868   4.406   7.786
  628    HG3  LYS  70           HG3      LYS  70   9.400   5.209   8.136
  629    HD2  LYS  70           HD2      LYS  70   8.110   6.752   9.658
  630    HD3  LYS  70           HD3      LYS  70   6.726   5.679   9.441
  631    HE2  LYS  70           HE2      LYS  70   8.073   3.806  10.300
  632    HE3  LYS  70           HE3      LYS  70   9.418   4.914  10.564
  633    HZ1  LYS  70           HZ1      LYS  70   8.179   4.531  12.598
  634    HZ2  LYS  70           HZ2      LYS  70   6.755   5.085  11.871
  635    HZ3  LYS  70           HZ3      LYS  70   8.044   6.149  12.124
  636    H    ILE  71           H        ILE  71   6.289   3.620   5.189
  637    HA   ILE  71           HA       ILE  71   3.573   4.444   5.611
  638    HB   ILE  71           HB       ILE  71   4.667   1.666   5.168
  639   HG12  ILE  71          HG12      ILE  71   5.109   3.469   3.390
  640   HG13  ILE  71          HG13      ILE  71   4.346   1.968   2.861
  641   HG21  ILE  71          HG21      ILE  71   1.899   2.800   5.242
  642   HG22  ILE  71          HG22      ILE  71   2.530   1.351   6.024
  643   HG23  ILE  71          HG23      ILE  71   2.258   1.366   4.281
  644   HD11  ILE  71          HD11      ILE  71   3.417   4.128   1.925
  645   HD12  ILE  71          HD12      ILE  71   2.799   4.461   3.544
  646   HD13  ILE  71          HD13      ILE  71   2.236   3.043   2.659
  647    H    GLU  72           H        GLU  72   2.161   3.823   7.304
  648    HA   GLU  72           HA       GLU  72   3.505   2.735   9.621
  649    HB2  GLU  72           HB2      GLU  72   2.436   5.202   9.419
  650    HB3  GLU  72           HB3      GLU  72   1.060   4.348  10.012
  651    HG2  GLU  72           HG2      GLU  72   3.456   3.683  11.473
  652    HG3  GLU  72           HG3      GLU  72   3.147   5.418  11.489
  653    H    ASN  73           H        ASN  73   1.619   2.182  11.151
  654    HA   ASN  73           HA       ASN  73   0.558  -0.262  10.500
  655    HB2  ASN  73           HB2      ASN  73   0.602   1.339  12.692
  656    HB3  ASN  73           HB3      ASN  73  -1.062   1.391  12.210
  657   HD21  ASN  73          HD21      ASN  73  -2.334  -0.216  13.006
  658   HD22  ASN  73          HD22      ASN  73  -1.782  -1.728  13.632
  659    H    ALA  74           H        ALA  74  -0.530  -0.521   8.650
  660    HA   ALA  74           HA       ALA  74  -3.135   0.843   8.445
  661    HB1  ALA  74           HB1      ALA  74  -1.817   1.674   6.668
  662    HB2  ALA  74           HB2      ALA  74  -2.874   0.453   5.958
  663    HB3  ALA  74           HB3      ALA  74  -1.184   0.072   6.293
  664    H    TRP  75           H        TRP  75  -2.267  -1.553   6.155
  665    HA   TRP  75           HA       TRP  75  -2.896  -3.951   7.413
  666    HB2  TRP  75           HB2      TRP  75  -5.217  -4.308   6.557
  667    HB3  TRP  75           HB3      TRP  75  -5.101  -3.150   7.875
  668    HD1  TRP  75           HD1      TRP  75  -5.691  -3.252   4.059
  669    HE1  TRP  75           HE1      TRP  75  -6.968  -1.134   3.420
  670    HE3  TRP  75           HE3      TRP  75  -5.608  -0.804   8.511
  671    HZ2  TRP  75           HZ2      TRP  75  -7.808   1.193   4.571
  672    HZ3  TRP  75           HZ3      TRP  75  -6.682   1.408   8.662
  673    HH2  TRP  75           HH2      TRP  75  -7.779   2.408   6.699
  674    H    THR  76           H        THR  76  -3.713  -5.589   5.827
  675    HA   THR  76           HA       THR  76  -2.749  -4.986   3.125
  676    HB   THR  76           HB       THR  76  -1.867  -7.411   3.146
  677    HG1  THR  76           HG1      THR  76  -1.023  -7.780   5.428
  678   HG21  THR  76          HG21      THR  76   0.305  -6.617   4.197
  679   HG22  THR  76          HG22      THR  76  -0.526  -5.093   4.512
  680   HG23  THR  76          HG23      THR  76  -0.325  -5.665   2.853
  681    H    THR  77           H        THR  77  -3.977  -5.762   1.563
  682    HA   THR  77           HA       THR  77  -6.048  -7.730   2.256
  683    HB   THR  77           HB       THR  77  -7.673  -6.533   0.929
  684    HG1  THR  77           HG1      THR  77  -6.638  -5.563  -0.706
  685   HG21  THR  77          HG21      THR  77  -7.510  -5.728   3.222
  686   HG22  THR  77          HG22      THR  77  -7.816  -4.359   2.157
  687   HG23  THR  77          HG23      THR  77  -6.194  -4.640   2.784
  688    H    ALA  78           H        ALA  78  -6.145  -9.429   0.856
  689    HA   ALA  78           HA       ALA  78  -4.231  -9.413  -1.330
  690    HB1  ALA  78           HB1      ALA  78  -4.260 -11.306   0.209
  691    HB2  ALA  78           HB2      ALA  78  -4.608 -11.810  -1.446
  692    HB3  ALA  78           HB3      ALA  78  -5.917 -11.673  -0.272
  693    H    PHE  79           H        PHE  79  -4.961  -8.468  -3.146
  694    HA   PHE  79           HA       PHE  79  -7.636  -9.046  -4.073
  695    HB2  PHE  79           HB2      PHE  79  -6.491  -6.686  -3.954
  696    HB3  PHE  79           HB3      PHE  79  -5.735  -7.205  -5.475
  697    HD1  PHE  79           HD1      PHE  79  -8.953  -6.736  -3.782
  698    HD2  PHE  79           HD2      PHE  79  -6.932  -7.189  -7.473
  699    HE1  PHE  79           HE1      PHE  79 -11.014  -6.251  -4.960
  700    HE2  PHE  79           HE2      PHE  79  -8.993  -6.682  -8.666
  701    HZ   PHE  79           HZ       PHE  79 -11.064  -6.207  -7.418
  702    H    LYS  80           H        LYS  80  -7.953 -10.575  -5.514
  703    HA   LYS  80           HA       LYS  80  -7.690 -12.064  -7.191
  704    HB2  LYS  80           HB2      LYS  80  -5.492 -10.225  -8.137
  705    HB3  LYS  80           HB3      LYS  80  -6.308 -11.452  -9.099
  706    HG2  LYS  80           HG2      LYS  80  -7.715  -9.125  -7.833
  707    HG3  LYS  80           HG3      LYS  80  -7.063  -9.092  -9.468
  708    HD2  LYS  80           HD2      LYS  80  -8.533 -10.913 -10.115
  709    HD3  LYS  80           HD3      LYS  80  -9.129 -11.047  -8.457
  710    HE2  LYS  80           HE2      LYS  80 -10.007  -8.770  -8.589
  711    HE3  LYS  80           HE3      LYS  80  -9.412  -8.634 -10.240
  712    HZ1  LYS  80           HZ1      LYS  80 -11.743  -9.151 -10.252
  713    HZ2  LYS  80           HZ2      LYS  80 -11.498 -10.514  -9.281
  714    HZ3  LYS  80           HZ3      LYS  80 -10.882 -10.477 -10.856
  715    H    GLY  81           H        GLY  81  -5.863 -12.116  -4.693
  716    HA2  GLY  81           HA2      GLY  81  -4.744 -14.137  -4.061
  717    HA3  GLY  81           HA3      GLY  81  -4.220 -14.330  -5.724
  718    H    GLN  82           H        GLN  82  -3.649 -11.215  -5.387
  719    HA   GLN  82           HA       GLN  82  -0.931 -11.667  -4.370
  720    HB2  GLN  82           HB2      GLN  82  -1.132  -9.072  -5.463
  721    HB3  GLN  82           HB3      GLN  82  -0.233 -10.438  -6.100
  722    HG2  GLN  82           HG2      GLN  82  -1.623 -10.642  -7.818
  723    HG3  GLN  82           HG3      GLN  82  -3.038 -10.612  -6.769
  724   HE21  GLN  82          HE21      GLN  82  -2.504  -8.033  -5.638
  725   HE22  GLN  82          HE22      GLN  82  -2.826  -6.860  -6.863
  726    H    VAL  83           H        VAL  83  -0.145 -10.502  -2.654
  727    HA   VAL  83           HA       VAL  83  -2.074  -9.326  -0.917
  728    HB   VAL  83           HB       VAL  83   0.907  -8.982  -0.603
  729   HG11  VAL  83          HG11      VAL  83  -0.034  -9.455   1.854
  730   HG12  VAL  83          HG12      VAL  83  -1.458  -8.715   1.121
  731   HG13  VAL  83          HG13      VAL  83   0.074  -7.845   1.145
  732   HG21  VAL  83          HG21      VAL  83   0.493 -11.338  -1.110
  733   HG22  VAL  83          HG22      VAL  83  -0.701 -11.403   0.185
  734   HG23  VAL  83          HG23      VAL  83   0.997 -11.115   0.564
  735    H    GLN  84           H        GLN  84  -2.114  -7.115  -0.152
  736    HA   GLN  84           HA       GLN  84  -0.778  -5.155  -1.852
  737    HB2  GLN  84           HB2      GLN  84  -3.375  -5.884  -2.418
  738    HB3  GLN  84           HB3      GLN  84  -3.592  -4.471  -1.400
  739    HG2  GLN  84           HG2      GLN  84  -2.359  -3.097  -2.881
  740    HG3  GLN  84           HG3      GLN  84  -1.778  -4.492  -3.790
  741   HE21  GLN  84          HE21      GLN  84  -4.457  -2.377  -3.169
  742   HE22  GLN  84          HE22      GLN  84  -5.428  -2.873  -4.539
  743    H    LEU  85           H        LEU  85  -1.222  -2.892  -0.990
  744    HA   LEU  85           HA       LEU  85  -1.529  -2.953   1.935
  745    HB2  LEU  85           HB2      LEU  85   0.855  -2.732   0.685
  746    HB3  LEU  85           HB3      LEU  85   0.416  -1.043   0.817
  747    HG   LEU  85           HG       LEU  85   0.011  -2.382   3.342
  748   HD11  LEU  85          HD11      LEU  85   2.382  -2.837   3.831
  749   HD12  LEU  85          HD12      LEU  85   2.771  -2.565   2.131
  750   HD13  LEU  85          HD13      LEU  85   1.737  -3.916   2.594
  751   HD21  LEU  85          HD21      LEU  85   1.569  -0.580   4.065
  752   HD22  LEU  85          HD22      LEU  85   0.190  -0.002   3.128
  753   HD23  LEU  85          HD23      LEU  85   1.774  -0.142   2.368
  754    H    ASN  86           H        ASN  86  -2.340  -1.028   2.891
  755    HA   ASN  86           HA       ASN  86  -3.346   1.050   1.021
  756    HB2  ASN  86           HB2      ASN  86  -4.930  -0.125   3.312
  757    HB3  ASN  86           HB3      ASN  86  -5.474   1.088   2.178
  758   HD21  ASN  86          HD21      ASN  86  -4.181  -2.163   2.257
  759   HD22  ASN  86          HD22      ASN  86  -5.164  -2.775   0.973
  760    H    ALA  87           H        ALA  87  -4.152   2.990   2.268
  761    HA   ALA  87           HA       ALA  87  -2.972   3.100   4.940
  762    HB1  ALA  87           HB1      ALA  87  -2.534   5.302   2.927
  763    HB2  ALA  87           HB2      ALA  87  -1.339   4.064   3.314
  764    HB3  ALA  87           HB3      ALA  87  -1.872   5.197   4.558
  765    H    GLY  88           H        GLY  88  -4.536   3.609   6.263
  766    HA2  GLY  88           HA2      GLY  88  -6.583   5.515   5.387
  767    HA3  GLY  88           HA3      GLY  88  -6.859   4.240   6.483
  768    H    SER  89           H        SER  89  -7.291   4.959   8.438
  769    HA   SER  89           HA       SER  89  -6.367   7.538   9.257
  770    HB2  SER  89           HB2      SER  89  -8.054   5.486  10.700
  771    HB3  SER  89           HB3      SER  89  -7.702   7.095  11.326
  772    HG   SER  89           HG       SER  89  -9.731   6.696  10.033
  773    H    LYS  90           H        LYS  90  -5.918   4.258  10.794
  774    HA   LYS  90           HA       LYS  90  -4.103   5.330  12.723
  775    HB2  LYS  90           HB2      LYS  90  -3.444   2.966  13.217
  776    HB3  LYS  90           HB3      LYS  90  -5.150   3.280  13.392
  777    HG2  LYS  90           HG2      LYS  90  -4.033   2.067  10.894
  778    HG3  LYS  90           HG3      LYS  90  -4.414   1.104  12.310
  779    HD2  LYS  90           HD2      LYS  90  -6.640   2.761  11.899
  780    HD3  LYS  90           HD3      LYS  90  -6.196   2.128  10.316
  781    HE2  LYS  90           HE2      LYS  90  -6.405  -0.104  11.036
  782    HE3  LYS  90           HE3      LYS  90  -6.429   0.366  12.735
  783    HZ1  LYS  90           HZ1      LYS  90  -8.594   1.183  12.548
  784    HZ2  LYS  90           HZ2      LYS  90  -8.627  -0.266  11.674
  785    HZ3  LYS  90           HZ3      LYS  90  -8.550   1.214  10.856
  786    H    THR  91           H        THR  91  -3.739   5.119   9.571
  787    HA   THR  91           HA       THR  91  -0.899   4.374   9.612
  788    HB   THR  91           HB       THR  91  -2.478   5.104   7.149
  789    HG1  THR  91           HG1      THR  91  -2.579   2.665   8.597
  790   HG21  THR  91          HG21      THR  91  -0.221   3.158   7.638
  791   HG22  THR  91          HG22      THR  91  -0.067   4.769   6.936
  792   HG23  THR  91          HG23      THR  91  -0.959   3.515   6.077
  793    H    LYS  92           H        LYS  92   0.493   6.066   9.780
  794    HA   LYS  92           HA       LYS  92  -0.367   8.699   8.770
  795    HB2  LYS  92           HB2      LYS  92   0.927   7.875  11.245
  796    HB3  LYS  92           HB3      LYS  92   1.854   9.111  10.407
  797    HG2  LYS  92           HG2      LYS  92   0.399  10.208  11.924
  798    HG3  LYS  92           HG3      LYS  92  -0.225  10.490  10.299
  799    HD2  LYS  92           HD2      LYS  92  -1.862   8.685  10.632
  800    HD3  LYS  92           HD3      LYS  92  -1.247   8.442  12.270
  801    HE2  LYS  92           HE2      LYS  92  -1.858  10.765  12.815
  802    HE3  LYS  92           HE3      LYS  92  -2.523  10.955  11.193
  803    HZ1  LYS  92           HZ1      LYS  92  -4.258  10.467  12.784
  804    HZ2  LYS  92           HZ2      LYS  92  -3.480   9.040  13.253
  805    HZ3  LYS  92           HZ3      LYS  92  -4.106   9.186  11.689
  806    H    ILE  93           H        ILE  93   0.518   9.052   6.801
  807    HA   ILE  93           HA       ILE  93   3.126   7.856   6.224
  808    HB   ILE  93           HB       ILE  93   1.546   9.474   4.251
  809   HG12  ILE  93          HG12      ILE  93   1.132   6.528   4.833
  810   HG13  ILE  93          HG13      ILE  93   0.009   7.806   5.270
  811   HG21  ILE  93          HG21      ILE  93   3.832   8.821   3.681
  812   HG22  ILE  93          HG22      ILE  93   2.653   8.018   2.638
  813   HG23  ILE  93          HG23      ILE  93   3.416   7.125   3.954
  814   HD11  ILE  93          HD11      ILE  93   0.753   6.871   2.520
  815   HD12  ILE  93          HD12      ILE  93  -0.126   8.369   2.826
  816   HD13  ILE  93          HD13      ILE  93  -0.823   6.823   3.309
  817    H    ALA  94           H        ALA  94   4.949   8.993   5.745
  818    HA   ALA  94           HA       ALA  94   5.012  11.869   5.337
  819    HB1  ALA  94           HB1      ALA  94   6.286  12.395   7.292
  820    HB2  ALA  94           HB2      ALA  94   5.982  10.779   7.990
  821    HB3  ALA  94           HB3      ALA  94   4.639  11.911   7.757
  822    H    GLU  95           H        GLU  95   7.005  12.690   4.710
  823    HA   GLU  95           HA       GLU  95   8.739  10.893   3.413
  824    HB2  GLU  95           HB2      GLU  95   9.512  13.727   4.091
  825    HB3  GLU  95           HB3      GLU  95   9.778  12.698   2.860
  826    HG2  GLU  95           HG2      GLU  95   8.410  13.754   1.719
  827    HG3  GLU  95           HG3      GLU  95   7.238  12.799   2.453
  828    H    ALA  96           H        ALA  96  10.564  10.027   3.957
  829    HA   ALA  96           HA       ALA  96  11.669  10.585   6.649
  830    HB1  ALA  96           HB1      ALA  96  12.018   8.307   7.117
  831    HB2  ALA  96           HB2      ALA  96  11.720   7.841   5.435
  832    HB3  ALA  96           HB3      ALA  96  10.380   8.388   6.456
  833    H    SER  97           H        SER  97  13.852  10.777   6.792
  834    HA   SER  97           HA       SER  97  15.361  10.490   4.280
  835    HB2  SER  97           HB2      SER  97  16.972  12.103   5.384
  836    HB3  SER  97           HB3      SER  97  15.424  12.745   4.934
  837    HG   SER  97           HG       SER  97  15.475  11.693   7.465
  838    H    GLU  98           H        GLU  98  16.883   8.978   4.182
  839    HA   GLU  98           HA       GLU  98  18.081   8.016   6.690
  840    HB2  GLU  98           HB2      GLU  98  17.126   6.338   4.362
  841    HB3  GLU  98           HB3      GLU  98  18.071   5.709   5.680
  842    HG2  GLU  98           HG2      GLU  98  15.673   7.110   6.502
  843    HG3  GLU  98           HG3      GLU  98  15.437   5.605   5.615
  844    H    ASP  99           H        ASP  99  19.777   6.092   5.295
  845    HA   ASP  99           HA       ASP  99  21.837   7.829   4.464
  846    HB2  ASP  99           HB2      ASP  99  21.580   4.864   4.856
  847    HB3  ASP  99           HB3      ASP  99  22.996   5.534   4.052
  848    H    GLY 100           H        GLY 100  19.291   7.422   2.799
  849    HA2  GLY 100           HA2      GLY 100  19.204   7.839   0.463
  850    HA3  GLY 100           HA3      GLY 100  20.744   7.019   0.255
  851    H    PHE 101           H        PHE 101  17.298   6.550   0.794
  852    HA   PHE 101           HA       PHE 101  17.245   3.750   0.691
  853    HB2  PHE 101           HB2      PHE 101  15.366   5.805   0.924
  854    HB3  PHE 101           HB3      PHE 101  14.911   4.955  -0.549
  855    HD1  PHE 101           HD2      PHE 101  15.879   4.237   2.987
  856    HD2  PHE 101           HD1      PHE 101  13.508   3.147  -0.372
  857    HE1  PHE 101           HE2      PHE 101  14.807   2.484   4.322
  858    HE2  PHE 101           HE1      PHE 101  12.408   1.425   0.923
  859    HZ   PHE 101           HZ       PHE 101  13.068   1.064   3.317
  860    HA   PRO 102           HA       PRO 102  18.233   2.586  -3.454
  861    HB2  PRO 102           HB2      PRO 102  15.763   0.916  -3.316
  862    HB3  PRO 102           HB3      PRO 102  17.412   0.454  -3.767
  863    HG2  PRO 102           HG2      PRO 102  16.454  -0.214  -1.391
  864    HG3  PRO 102           HG3      PRO 102  18.137   0.323  -1.572
  865    HD2  PRO 102           HD2      PRO 102  15.789   1.797  -0.474
  866    HD3  PRO 102           HD3      PRO 102  17.502   1.852   0.018
  867    H    GLU 103           H        GLU 103  17.715   3.193  -5.508
  868    HA   GLU 103           HA       GLU 103  15.582   5.062  -5.852
  869    HB2  GLU 103           HB2      GLU 103  17.958   4.868  -7.016
  870    HB3  GLU 103           HB3      GLU 103  17.046   3.931  -8.191
  871    HG2  GLU 103           HG2      GLU 103  15.647   5.767  -8.707
  872    HG3  GLU 103           HG3      GLU 103  16.239   6.693  -7.329
  873    H    SER 104           H        SER 104  13.981   4.920  -7.597
  874    HA   SER 104           HA       SER 104  12.428   2.575  -7.390
  875    HB2  SER 104           HB2      SER 104  12.114   4.607  -9.594
  876    HB3  SER 104           HB3      SER 104  10.865   3.653  -8.795
  877    HG   SER 104           HG       SER 104  12.399   5.734  -7.620
  878    H    SER 105           H        SER 105  14.890   3.570  -9.626
  879    HA   SER 105           HA       SER 105  14.204   1.601 -11.622
  880    HB2  SER 105           HB2      SER 105  15.839   3.925 -11.516
  881    HB3  SER 105           HB3      SER 105  16.874   2.567 -11.958
  882    HG   SER 105           HG       SER 105  15.803   2.320 -13.788
  883    H    GLN 106           H        GLN 106  15.635   1.437  -8.650
  884    HA   GLN 106           HA       GLN 106  17.154  -0.972  -9.406
  885    HB2  GLN 106           HB2      GLN 106  17.812   0.850  -7.099
  886    HB3  GLN 106           HB3      GLN 106  18.752  -0.488  -7.667
  887    HG2  GLN 106           HG2      GLN 106  18.910   0.851  -9.877
  888    HG3  GLN 106           HG3      GLN 106  18.348   2.204  -8.899
  889   HE21  GLN 106          HE21      GLN 106  20.610  -0.446  -8.245
  890   HE22  GLN 106          HE22      GLN 106  21.946   0.566  -7.827
  891    H    ILE 107           H        ILE 107  14.376  -0.140  -8.182
  892    HA   ILE 107           HA       ILE 107  14.451  -1.762  -5.755
  893    HB   ILE 107           HB       ILE 107  12.516   0.200  -6.900
  894   HG12  ILE 107          HG12      ILE 107  13.230  -0.243  -4.014
  895   HG13  ILE 107          HG13      ILE 107  14.334   0.596  -5.094
  896   HG21  ILE 107          HG21      ILE 107  10.744  -0.511  -5.390
  897   HG22  ILE 107          HG22      ILE 107  11.726  -1.887  -4.855
  898   HG23  ILE 107          HG23      ILE 107  11.143  -1.800  -6.525
  899   HD11  ILE 107          HD11      ILE 107  11.559   1.545  -5.075
  900   HD12  ILE 107          HD12      ILE 107  13.083   2.433  -5.187
  901   HD13  ILE 107          HD13      ILE 107  12.514   1.823  -3.617
  902    HA   PRO 108           HA       PRO 108  13.250  -5.416  -8.072
  903    HB2  PRO 108           HB2      PRO 108  12.287  -6.213  -5.367
  904    HB3  PRO 108           HB3      PRO 108  13.317  -7.099  -6.499
  905    HG2  PRO 108           HG2      PRO 108  14.382  -5.956  -4.363
  906    HG3  PRO 108           HG3      PRO 108  15.221  -5.913  -5.927
  907    HD2  PRO 108           HD2      PRO 108  13.702  -3.751  -4.543
  908    HD3  PRO 108           HD3      PRO 108  15.179  -3.648  -5.523
  909    H    GLU 109           H        GLU 109  11.271  -6.663  -8.419
  910    HA   GLU 109           HA       GLU 109   8.847  -5.090  -7.833
  911    HB2  GLU 109           HB2      GLU 109   7.984  -6.026 -10.041
  912    HB3  GLU 109           HB3      GLU 109   9.234  -4.794 -10.149
  913    HG2  GLU 109           HG2      GLU 109  10.896  -6.405 -10.669
  914    HG3  GLU 109           HG3      GLU 109   9.812  -7.740 -10.279
  915    H    ASN 110           H        ASN 110  10.293  -7.689  -6.815
  916    HA   ASN 110           HA       ASN 110   8.674  -9.898  -7.251
  917    HB2  ASN 110           HB2      ASN 110  10.902  -9.507  -5.819
  918    HB3  ASN 110           HB3      ASN 110   9.735  -9.498  -4.500
  919   HD21  ASN 110          HD21      ASN 110  11.622 -11.399  -6.499
  920   HD22  ASN 110          HD22      ASN 110  10.914 -12.934  -6.143
  921    H    THR 111           H        THR 111   6.629 -10.326  -6.796
  922    HA   THR 111           HA       THR 111   5.134  -8.545  -5.058
  923    HB   THR 111           HB       THR 111   3.468 -10.640  -6.011
  924    HG1  THR 111           HG1      THR 111   5.330  -9.656  -7.920
  925   HG21  THR 111          HG21      THR 111   2.851  -8.266  -5.624
  926   HG22  THR 111          HG22      THR 111   2.364  -8.849  -7.215
  927   HG23  THR 111          HG23      THR 111   3.786  -7.821  -7.050
  928    HA   PRO 112           HA       PRO 112   5.802 -11.396  -1.626
  929    HB2  PRO 112           HB2      PRO 112   3.716  -9.663  -0.418
  930    HB3  PRO 112           HB3      PRO 112   5.302 -10.129   0.213
  931    HG2  PRO 112           HG2      PRO 112   4.923  -7.682  -0.723
  932    HG3  PRO 112           HG3      PRO 112   6.434  -8.555  -1.053
  933    HD2  PRO 112           HD2      PRO 112   4.100  -8.090  -2.858
  934    HD3  PRO 112           HD3      PRO 112   5.838  -8.049  -3.222
  935    H    THR 113           H        THR 113   4.749 -13.228  -1.032
  936    HA   THR 113           HA       THR 113   1.857 -13.413  -1.182
  937    HB   THR 113           HB       THR 113   3.012 -15.707  -2.550
  938    HG1  THR 113           HG1      THR 113   3.283 -14.390  -4.546
  939   HG21  THR 113          HG21      THR 113   0.614 -15.203  -2.448
  940   HG22  THR 113          HG22      THR 113   1.186 -15.265  -4.115
  941   HG23  THR 113          HG23      THR 113   0.891 -13.708  -3.341
  942    H    ALA 114           H        ALA 114   1.167 -14.549   0.507
  943    HA   ALA 114           HA       ALA 114   2.933 -15.819   2.308
  944    HB1  ALA 114           HB1      ALA 114   0.924 -16.503   3.510
  945    HB2  ALA 114           HB2      ALA 114  -0.070 -16.049   2.124
  946    HB3  ALA 114           HB3      ALA 114   0.819 -14.814   3.015
  947    H    ARG 115           H        ARG 115   2.694 -18.099   3.050
  948    HA   ARG 115           HA       ARG 115   2.854 -19.864   0.753
  949    HB2  ARG 115           HB2      ARG 115   3.588 -21.551   2.474
  950    HB3  ARG 115           HB3      ARG 115   4.611 -20.127   2.340
  951    HG2  ARG 115           HG2      ARG 115   3.422 -19.171   4.309
  952    HG3  ARG 115           HG3      ARG 115   2.580 -20.712   4.481
  953    HD2  ARG 115           HD2      ARG 115   4.559 -20.507   5.954
  954    HD3  ARG 115           HD3      ARG 115   4.659 -21.866   4.837
  955    HE   ARG 115           HE       ARG 115   6.022 -19.315   4.285
  956   HH11  ARG 115          HH11      ARG 115   6.065 -22.782   4.654
  957   HH12  ARG 115          HH12      ARG 115   7.692 -22.950   4.089
  958   HH21  ARG 115          HH21      ARG 115   8.166 -19.530   3.538
  959   HH22  ARG 115          HH22      ARG 115   8.889 -21.102   3.456
  960    H    ARG 116           H        ARG 116   1.518 -21.559   0.311
  961    HA   ARG 116           HA       ARG 116  -0.937 -21.737   1.932
  962    HB2  ARG 116           HB2      ARG 116  -0.464 -22.064  -1.022
  963    HB3  ARG 116           HB3      ARG 116  -1.900 -22.717  -0.246
  964    HG2  ARG 116           HG2      ARG 116  -2.432 -20.435   0.568
  965    HG3  ARG 116           HG3      ARG 116  -1.061 -19.830  -0.364
  966    HD2  ARG 116           HD2      ARG 116  -2.818 -21.516  -1.946
  967    HD3  ARG 116           HD3      ARG 116  -3.661 -20.127  -1.262
  968    HE   ARG 116           HE       ARG 116  -1.715 -20.100  -3.354
  969   HH11  ARG 116          HH11      ARG 116  -3.056 -18.242  -0.728
  970   HH12  ARG 116          HH12      ARG 116  -2.635 -16.713  -1.423
  971   HH21  ARG 116          HH21      ARG 116  -1.156 -18.091  -4.278
  972   HH22  ARG 116          HH22      ARG 116  -1.554 -16.628  -3.443
  973    H    ARG 117           H        ARG 117  -1.841 -23.784   2.334
  974    HA   ARG 117           HA       ARG 117   0.109 -25.884   2.607
  975    HB2  ARG 117           HB2      ARG 117  -2.841 -26.094   3.188
  976    HB3  ARG 117           HB3      ARG 117  -1.532 -27.036   3.886
  977    HG2  ARG 117           HG2      ARG 117  -0.719 -25.071   5.063
  978    HG3  ARG 117           HG3      ARG 117  -1.992 -24.093   4.330
  979    HD2  ARG 117           HD2      ARG 117  -2.792 -26.540   5.812
  980    HD3  ARG 117           HD3      ARG 117  -2.243 -25.151   6.750
  981    HE   ARG 117           HE       ARG 117  -4.116 -24.238   4.901
  982   HH11  ARG 117          HH11      ARG 117  -3.994 -26.338   7.681
  983   HH12  ARG 117          HH12      ARG 117  -5.636 -26.038   8.140
  984   HH21  ARG 117          HH21      ARG 117  -6.279 -23.838   5.499
  985   HH22  ARG 117          HH22      ARG 117  -6.936 -24.618   6.899
  Start of MODEL    9
    1    H5'   DT   1           H5'       DT   1 -12.178   2.929   8.051
    2   H5''   DT   1          H5''       DT   1 -12.013   3.747   9.618
    3    H4'   DT   1           H4'       DT   1 -14.466   2.708   9.910
    4    H3'   DT   1           H3'       DT   1 -14.109   2.886   6.944
    5    H2'   DT   1           H2'       DT   1 -16.228   3.982   6.716
    6   H2''   DT   1          H2''       DT   1 -16.757   3.498   8.322
    7    H1'   DT   1           H1'       DT   1 -16.010   5.622   8.965
    8    H3    DT   1           H3        DT   1 -15.067   9.093   6.349
    9    H71   DT   1           H71       DT   1 -12.646   5.929   3.556
   10    H72   DT   1           H72       DT   1 -11.405   6.753   4.529
   11    H73   DT   1           H73       DT   1 -11.813   5.053   4.863
   12    H6    DT   1           H6        DT   1 -13.419   4.620   6.501
   13   HO5'   DT   1          HO5'       DT   1 -12.203   1.043   9.009
   14    H5'   DT   2           H5'       DT   2 -13.132  -1.488   8.041
   15   H5''   DT   2          H5''       DT   2 -13.274   0.283   8.081
   16    H4'   DT   2           H4'       DT   2 -12.757   0.047   5.510
   17    H3'   DT   2           H3'       DT   2 -11.718  -2.561   6.591
   18    H2'   DT   2           H2'       DT   2  -9.817  -2.321   5.142
   19   H2''   DT   2          H2''       DT   2 -10.575  -1.039   4.211
   20    H1'   DT   2           H1'       DT   2  -9.405   0.372   5.729
   21    H3    DT   2           H3        DT   2  -8.077  -0.684  10.280
   22    H71   DT   2           H71       DT   2  -6.432  -4.510   8.222
   23    H72   DT   2           H72       DT   2  -7.135  -4.467   6.588
   24    H73   DT   2           H73       DT   2  -8.116  -5.027   7.964
   25    H6    DT   2           H6        DT   2  -8.608  -2.650   5.979
   26    H5'   DT   3           H5'       DT   3 -14.961  -5.094   2.067
   27   H5''   DT   3          H5''       DT   3 -13.188  -5.074   2.173
   28    H4'   DT   3           H4'       DT   3 -14.977  -3.324   0.755
   29    H3'   DT   3           H3'       DT   3 -12.369  -4.334   0.366
   30    H2'   DT   3           H2'       DT   3 -11.229  -2.456   1.260
   31   H2''   DT   3          H2''       DT   3 -11.608  -1.776  -0.317
   32    H1'   DT   3           H1'       DT   3 -13.682  -0.789   0.487
   33    H3    DT   3           H3        DT   3 -13.280   2.511   3.593
   34    H71   DT   3           H71       DT   3  -8.951   1.385   4.414
   35    H72   DT   3           H72       DT   3  -8.489   0.708   2.836
   36    H73   DT   3           H73       DT   3  -8.973  -0.376   4.160
   37    H6    DT   3           H6        DT   3 -10.518  -1.072   2.104
   38    H5'   DT   4           H5'       DT   4 -14.569  -2.734  -3.553
   39   H5''   DT   4          H5''       DT   4 -13.762  -3.126  -5.086
   40    H4'   DT   4           H4'       DT   4 -13.452  -0.795  -3.890
   41    H3'   DT   4           H3'       DT   4 -11.442  -2.343  -5.483
   42    H2'   DT   4           H2'       DT   4  -9.709  -0.881  -4.817
   43   H2''   DT   4          H2''       DT   4 -10.815   0.466  -4.574
   44    H1'   DT   4           H1'       DT   4 -10.964   0.012  -2.352
   45    H3    DT   4           H3        DT   4  -6.412  -1.681  -2.319
   46    H71   DT   4           H71       DT   4  -8.207  -4.901   0.410
   47    H72   DT   4           H72       DT   4  -9.361  -3.812   1.217
   48    H73   DT   4           H73       DT   4  -9.930  -4.942  -0.036
   49    H6    DT   4           H6        DT   4 -10.877  -2.862  -1.137
   50    H5'   DT   5           H5'       DT   5 -13.539  -2.246  -9.041
   51   H5''   DT   5          H5''       DT   5 -12.422  -2.537  -7.690
   52    H4'   DT   5           H4'       DT   5 -11.541  -2.196 -10.554
   53    H3'   DT   5           H3'       DT   5 -13.012  -4.359  -9.922
   54    H2'   DT   5           H2'       DT   5 -11.714  -5.110  -8.044
   55   H2''   DT   5          H2''       DT   5 -10.990  -6.039  -9.348
   56    H1'   DT   5           H1'       DT   5  -9.183  -4.472  -9.633
   57    H3    DT   5           H3        DT   5  -6.285  -4.925  -6.292
   58    H71   DT   5           H71       DT   5 -10.133  -3.099  -3.625
   59    H72   DT   5           H72       DT   5  -9.554  -4.687  -3.070
   60    H73   DT   5           H73       DT   5 -11.075  -4.566  -3.986
   61    H6    DT   5           H6        DT   5 -10.967  -4.054  -6.399
   62    H5'   DT   6           H5'       DT   6 -10.013  -4.652 -13.333
   63   H5''   DT   6          H5''       DT   6  -9.223  -6.055 -14.082
   64    H4'   DT   6           H4'       DT   6  -8.545  -4.542 -11.658
   65    H3'   DT   6           H3'       DT   6  -7.055  -5.957 -13.816
   66   HO3'   DT   6          HO3'       DT   6  -7.274  -3.515 -12.616
   67    H2'   DT   6           H2'       DT   6  -5.266  -6.548 -12.328
   68   H2''   DT   6          H2''       DT   6  -5.796  -5.416 -11.091
   69    H1'   DT   6           H1'       DT   6  -6.816  -7.382 -10.226
   70    H3    DT   6           H3        DT   6  -5.297 -11.087 -12.532
   71    H71   DT   6           H71       DT   6 -10.327  -9.938 -13.858
   72    H72   DT   6           H72       DT   6  -9.461 -11.370 -14.462
   73    H73   DT   6           H73       DT   6  -9.315  -9.815 -15.316
   74    H6    DT   6           H6        DT   6  -8.992  -8.089 -12.858
   75    H1   MET   1           H        MET   1  11.471  -2.520  14.998
   76    H1   MET   1           HT1      MET   1  11.082  -1.436  13.758
   77    H2   MET   1           H2       MET   1  11.636  -2.989  13.381
   78    HA   MET   1           HA       MET   1   9.677  -3.983  14.310
   79    HB2  MET   1           HB2      MET   1   8.936  -1.116  14.908
   80    HB3  MET   1           HB3      MET   1   7.794  -2.450  14.972
   81    HG2  MET   1           HG2      MET   1   9.916  -3.306  16.527
   82    HG3  MET   1           HG3      MET   1   9.757  -1.594  16.912
   83    HE1  MET   1           HE1      MET   1   9.422  -3.337  19.293
   84    HE2  MET   1           HE2      MET   1   9.009  -4.763  18.341
   85    HE3  MET   1           HE3      MET   1   7.887  -4.161  19.562
   86    H    GLU   2           H        GLU   2  10.823  -2.546  11.832
   87    HA   GLU   2           HA       GLU   2   8.304  -2.507  10.306
   88    HB2  GLU   2           HB2      GLU   2   9.751  -1.098   8.658
   89    HB3  GLU   2           HB3      GLU   2   9.057  -0.326  10.078
   90    HG2  GLU   2           HG2      GLU   2  11.643  -1.412  10.697
   91    HG3  GLU   2           HG3      GLU   2  11.735  -0.358   9.288
   92    H    GLU   3           H        GLU   3   8.093  -3.945   8.718
   93    HA   GLU   3           HA       GLU   3  10.386  -5.647   8.096
   94    HB2  GLU   3           HB2      GLU   3   8.862  -7.286   7.380
   95    HB3  GLU   3           HB3      GLU   3   8.114  -6.569   8.800
   96    HG2  GLU   3           HG2      GLU   3   6.949  -5.036   7.012
   97    HG3  GLU   3           HG3      GLU   3   7.325  -6.384   5.940
   98    H    LYS   4           H        LYS   4  10.375  -6.532   5.761
   99    HA   LYS   4           HA       LYS   4  10.430  -4.150   3.974
  100    HB2  LYS   4           HB2      LYS   4  11.700  -5.864   2.500
  101    HB3  LYS   4           HB3      LYS   4  12.511  -5.135   3.877
  102    HG2  LYS   4           HG2      LYS   4  11.096  -7.691   4.336
  103    HG3  LYS   4           HG3      LYS   4  12.580  -7.741   3.385
  104    HD2  LYS   4           HD2      LYS   4  12.695  -6.143   5.861
  105    HD3  LYS   4           HD3      LYS   4  12.508  -7.883   6.082
  106    HE2  LYS   4           HE2      LYS   4  14.443  -7.832   4.200
  107    HE3  LYS   4           HE3      LYS   4  14.795  -6.333   5.057
  108    HZ1  LYS   4           HZ1      LYS   4  14.560  -9.020   6.299
  109    HZ2  LYS   4           HZ2      LYS   4  14.898  -7.582   7.122
  110    HZ3  LYS   4           HZ3      LYS   4  16.006  -8.194   5.999
  111    H    VAL   5           H        VAL   5  10.024  -4.768   1.599
  112    HA   VAL   5           HA       VAL   5   7.302  -5.609   1.398
  113    HB   VAL   5           HB       VAL   5   9.299  -5.019  -0.795
  114   HG11  VAL   5          HG11      VAL   5   7.498  -6.293  -1.710
  115   HG12  VAL   5          HG12      VAL   5   7.250  -4.603  -2.158
  116   HG13  VAL   5          HG13      VAL   5   6.304  -5.317  -0.853
  117   HG21  VAL   5          HG21      VAL   5   7.215  -3.246   0.474
  118   HG22  VAL   5          HG22      VAL   5   8.246  -2.816  -0.890
  119   HG23  VAL   5          HG23      VAL   5   8.960  -3.115   0.695
  120    H    GLY   6           H        GLY   6  10.423  -7.054   0.627
  121    HA2  GLY   6           HA2      GLY   6   9.292  -9.323  -0.722
  122    HA3  GLY   6           HA3      GLY   6  10.968  -9.125  -0.235
  123    H    ASN   7           H        ASN   7   9.083  -8.519   2.421
  124    HA   ASN   7           HA       ASN   7   9.107 -11.336   3.268
  125    HB2  ASN   7           HB2      ASN   7  10.950  -9.700   4.172
  126    HB3  ASN   7           HB3      ASN   7   9.656  -9.150   5.231
  127   HD21  ASN   7          HD21      ASN   7  10.155  -9.951   7.143
  128   HD22  ASN   7          HD22      ASN   7  10.502 -11.577   7.480
  129    H    LEU   8           H        LEU   8   7.183  -8.779   2.624
  130    HA   LEU   8           HA       LEU   8   5.468  -8.836   4.943
  131    HB2  LEU   8           HB2      LEU   8   4.363  -7.095   3.993
  132    HB3  LEU   8           HB3      LEU   8   5.861  -6.964   3.096
  133    HG   LEU   8           HG       LEU   8   4.460  -8.641   1.483
  134   HD11  LEU   8          HD11      LEU   8   2.318  -8.709   2.125
  135   HD12  LEU   8          HD12      LEU   8   2.230  -7.021   1.504
  136   HD13  LEU   8          HD13      LEU   8   2.543  -7.326   3.233
  137   HD21  LEU   8          HD21      LEU   8   5.625  -6.751   0.652
  138   HD22  LEU   8          HD22      LEU   8   4.561  -5.638   1.515
  139   HD23  LEU   8          HD23      LEU   8   3.939  -6.580   0.160
  140    H    LYS   9           H        LYS   9   3.275  -9.636   4.958
  141    HA   LYS   9           HA       LYS   9   2.539 -11.503   2.907
  142    HB2  LYS   9           HB2      LYS   9   2.000 -13.078   4.415
  143    HB3  LYS   9           HB3      LYS   9   3.577 -12.595   4.797
  144    HG2  LYS   9           HG2      LYS   9   2.932 -12.137   6.908
  145    HG3  LYS   9           HG3      LYS   9   1.662 -11.116   6.281
  146    HD2  LYS   9           HD2      LYS   9   0.322 -12.640   7.306
  147    HD3  LYS   9           HD3      LYS   9   0.566 -13.516   5.794
  148    HE2  LYS   9           HE2      LYS   9   1.359 -15.195   7.024
  149    HE3  LYS   9           HE3      LYS   9   2.771 -14.187   7.332
  150    HZ1  LYS   9           HZ1      LYS   9   1.674 -13.324   9.308
  151    HZ2  LYS   9           HZ2      LYS   9   1.816 -15.009   9.386
  152    HZ3  LYS   9           HZ3      LYS   9   0.324 -14.302   9.013
  153    HA   PRO  10           HA       PRO  10  -1.381  -9.499   3.253
  154    HB2  PRO  10           HB2      PRO  10  -3.049 -11.355   2.254
  155    HB3  PRO  10           HB3      PRO  10  -1.885 -10.501   1.269
  156    HG2  PRO  10           HG2      PRO  10  -1.735 -13.252   2.411
  157    HG3  PRO  10           HG3      PRO  10  -1.229 -12.697   0.805
  158    HD2  PRO  10           HD2      PRO  10   0.576 -13.040   2.877
  159    HD3  PRO  10           HD3      PRO  10   0.784 -11.948   1.544
  160    H    ASN  11           H        ASN  11  -3.541  -9.678   4.176
  161    HA   ASN  11           HA       ASN  11  -5.071 -10.202   5.807
  162    HB2  ASN  11           HB2      ASN  11  -3.669 -12.756   5.420
  163    HB3  ASN  11           HB3      ASN  11  -4.420 -12.575   7.003
  164   HD21  ASN  11          HD21      ASN  11  -4.998 -12.521   3.541
  165   HD22  ASN  11          HD22      ASN  11  -6.706 -12.894   3.636
  166    H    MET  12           H        MET  12  -2.446  -8.836   6.396
  167    HA   MET  12           HA       MET  12  -2.272  -9.393   9.232
  168    HB2  MET  12           HB2      MET  12  -0.430  -7.917   7.350
  169    HB3  MET  12           HB3      MET  12  -0.215  -8.042   9.041
  170    HG2  MET  12           HG2      MET  12  -0.487 -10.648   8.392
  171    HG3  MET  12           HG3      MET  12   0.284  -9.964   6.972
  172    HE1  MET  12           HE1      MET  12   2.698  -9.149   6.806
  173    HE2  MET  12           HE2      MET  12   3.707  -8.753   8.217
  174    HE3  MET  12           HE3      MET  12   2.260  -7.806   7.872
  175    H    GLU  13           H        GLU  13  -3.148  -8.024  10.638
  176    HA   GLU  13           HA       GLU  13  -4.353  -5.576   9.681
  177    HB2  GLU  13           HB2      GLU  13  -4.341  -6.183  12.581
  178    HB3  GLU  13           HB3      GLU  13  -5.655  -5.630  11.553
  179    HG2  GLU  13           HG2      GLU  13  -5.403  -8.075  10.560
  180    HG3  GLU  13           HG3      GLU  13  -4.750  -8.383  12.169
  181    H    SER  14           H        SER  14  -1.330  -6.090  10.110
  182    HA   SER  14           HA       SER  14  -0.752  -3.411  10.993
  183    HB2  SER  14           HB2      SER  14   0.998  -4.385  12.671
  184    HB3  SER  14           HB3      SER  14  -0.684  -4.236  13.177
  185    HG   SER  14           HG       SER  14   0.576  -6.583  12.202
  186    H    VAL  15           H        VAL  15   0.636  -2.734   9.499
  187    HA   VAL  15           HA       VAL  15   2.896  -4.451   8.781
  188    HB   VAL  15           HB       VAL  15   1.759  -2.939   6.514
  189   HG11  VAL  15          HG11      VAL  15   2.459  -4.940   5.286
  190   HG12  VAL  15          HG12      VAL  15   2.873  -5.725   6.811
  191   HG13  VAL  15          HG13      VAL  15   3.762  -4.297   6.284
  192   HG21  VAL  15          HG21      VAL  15  -0.126  -4.144   6.128
  193   HG22  VAL  15          HG22      VAL  15  -0.130  -4.232   7.891
  194   HG23  VAL  15          HG23      VAL  15   0.493  -5.581   6.942
  195    H    ASN  16           H        ASN  16   4.601  -3.309   9.356
  196    HA   ASN  16           HA       ASN  16   4.668  -0.412   8.871
  197    HB2  ASN  16           HB2      ASN  16   5.340  -1.925  11.108
  198    HB3  ASN  16           HB3      ASN  16   6.837  -1.326  10.425
  199   HD21  ASN  16          HD21      ASN  16   6.435   1.071   9.593
  200   HD22  ASN  16          HD22      ASN  16   5.801   2.103  10.847
  201    H    VAL  17           H        VAL  17   5.997   0.368   7.317
  202    HA   VAL  17           HA       VAL  17   8.412  -1.050   6.608
  203    HB   VAL  17           HB       VAL  17   7.035  -2.428   5.370
  204   HG11  VAL  17          HG11      VAL  17   5.072  -0.736   5.638
  205   HG12  VAL  17          HG12      VAL  17   5.068  -1.895   4.287
  206   HG13  VAL  17          HG13      VAL  17   5.561  -0.226   4.004
  207   HG21  VAL  17          HG21      VAL  17   8.872  -1.720   3.986
  208   HG22  VAL  17          HG22      VAL  17   8.016  -0.248   3.532
  209   HG23  VAL  17          HG23      VAL  17   7.441  -1.813   2.958
  210    H    THR  18           H        THR  18   9.760   0.089   5.169
  211    HA   THR  18           HA       THR  18   9.018   2.899   4.704
  212    HB   THR  18           HB       THR  18  11.898   2.270   4.712
  213    HG1  THR  18           HG1      THR  18  11.886   2.307   7.084
  214   HG21  THR  18          HG21      THR  18  10.086   4.477   5.386
  215   HG22  THR  18          HG22      THR  18  11.730   4.517   4.719
  216   HG23  THR  18          HG23      THR  18  11.475   4.322   6.463
  217    H    VAL  19           H        VAL  19   9.147   3.579   2.569
  218    HA   VAL  19           HA       VAL  19  10.668   2.137   0.667
  219    HB   VAL  19           HB       VAL  19   8.785   1.730  -0.882
  220   HG11  VAL  19          HG11      VAL  19   9.525  -0.116   0.382
  221   HG12  VAL  19          HG12      VAL  19   7.729  -0.035   0.222
  222   HG13  VAL  19          HG13      VAL  19   8.565   0.465   1.798
  223   HG21  VAL  19          HG21      VAL  19   7.142   3.279  -0.226
  224   HG22  VAL  19          HG22      VAL  19   7.173   2.729   1.449
  225   HG23  VAL  19          HG23      VAL  19   6.474   1.704   0.198
  226    H    ARG  20           H        ARG  20  10.006   3.099  -1.618
  227    HA   ARG  20           HA       ARG  20   9.802   5.968  -1.312
  228    HB2  ARG  20           HB2      ARG  20  12.008   4.967  -2.062
  229    HB3  ARG  20           HB3      ARG  20  11.241   4.573  -3.564
  230    HG2  ARG  20           HG2      ARG  20  11.933   6.640  -4.227
  231    HG3  ARG  20           HG3      ARG  20  10.672   7.282  -3.169
  232    HD2  ARG  20           HD2      ARG  20  12.232   7.409  -1.328
  233    HD3  ARG  20           HD3      ARG  20  13.490   6.653  -2.302
  234    HE   ARG  20           HE       ARG  20  12.378   9.340  -2.780
  235   HH11  ARG  20          HH11      ARG  20  14.963   7.010  -3.029
  236   HH12  ARG  20          HH12      ARG  20  16.086   8.139  -3.707
  237   HH21  ARG  20          HH21      ARG  20  13.853  10.830  -3.675
  238   HH22  ARG  20          HH22      ARG  20  15.455  10.309  -4.075
  239    H    VAL  21           H        VAL  21   8.684   7.169  -2.970
  240    HA   VAL  21           HA       VAL  21   6.352   5.732  -3.933
  241    HB   VAL  21           HB       VAL  21   7.244   8.588  -4.676
  242   HG11  VAL  21          HG11      VAL  21   4.850   8.939  -5.012
  243   HG12  VAL  21          HG12      VAL  21   4.573   7.226  -4.690
  244   HG13  VAL  21          HG13      VAL  21   5.508   7.718  -6.103
  245   HG21  VAL  21          HG21      VAL  21   5.888   9.350  -2.822
  246   HG22  VAL  21          HG22      VAL  21   7.215   8.332  -2.258
  247   HG23  VAL  21          HG23      VAL  21   5.580   7.677  -2.354
  248    H    LEU  22           H        LEU  22   6.106   4.788  -5.831
  249    HA   LEU  22           HA       LEU  22   8.101   5.169  -7.935
  250    HB2  LEU  22           HB2      LEU  22   6.103   2.925  -7.683
  251    HB3  LEU  22           HB3      LEU  22   7.505   2.998  -8.703
  252    HG   LEU  22           HG       LEU  22   7.482   2.696  -5.726
  253   HD11  LEU  22          HD11      LEU  22   8.615   0.866  -7.826
  254   HD12  LEU  22          HD12      LEU  22   6.995   0.694  -7.152
  255   HD13  LEU  22          HD13      LEU  22   8.406   0.543  -6.104
  256   HD21  LEU  22          HD21      LEU  22   9.914   2.834  -7.497
  257   HD22  LEU  22          HD22      LEU  22   9.847   2.730  -5.737
  258   HD23  LEU  22          HD23      LEU  22   9.312   4.196  -6.547
  259    H    GLU  23           H        GLU  23   4.815   5.519  -7.088
  260    HA   GLU  23           HA       GLU  23   4.265   7.061  -9.494
  261    HB2  GLU  23           HB2      GLU  23   3.914   4.506 -10.000
  262    HB3  GLU  23           HB3      GLU  23   2.414   4.740  -9.112
  263    HG2  GLU  23           HG2      GLU  23   1.522   5.359 -11.047
  264    HG3  GLU  23           HG3      GLU  23   2.439   6.855 -10.875
  265    H    ALA  24           H        ALA  24   1.951   7.878  -9.473
  266    HA   ALA  24           HA       ALA  24   0.505   7.715  -7.004
  267    HB1  ALA  24           HB1      ALA  24   1.917  10.306  -7.657
  268    HB2  ALA  24           HB2      ALA  24   2.305   9.222  -6.320
  269    HB3  ALA  24           HB3      ALA  24   0.754  10.063  -6.353
  270    H    SER  25           H        SER  25  -1.583   8.007  -7.430
  271    HA   SER  25           HA       SER  25  -2.304   9.481  -9.886
  272    HB2  SER  25           HB2      SER  25  -2.835   6.859  -9.379
  273    HB3  SER  25           HB3      SER  25  -4.298   7.621  -8.756
  274    HG   SER  25           HG       SER  25  -3.956   7.029 -11.182
  275    H    GLU  26           H        GLU  26  -4.222  10.776  -9.835
  276    HA   GLU  26           HA       GLU  26  -4.520  12.276  -7.474
  277    HB2  GLU  26           HB2      GLU  26  -6.454  12.217  -9.790
  278    HB3  GLU  26           HB3      GLU  26  -6.159  13.523  -8.667
  279    HG2  GLU  26           HG2      GLU  26  -4.079  12.503 -10.561
  280    HG3  GLU  26           HG3      GLU  26  -5.180  13.825 -10.945
  281    H    ALA  27           H        ALA  27  -6.372  12.561  -6.197
  282    HA   ALA  27           HA       ALA  27  -7.457  10.059  -5.383
  283    HB1  ALA  27           HB1      ALA  27  -8.290  11.326  -3.488
  284    HB2  ALA  27           HB2      ALA  27  -7.871  12.832  -4.308
  285    HB3  ALA  27           HB3      ALA  27  -6.581  11.697  -3.833
  286    H    ARG  28           H        ARG  28  -9.287   9.159  -5.854
  287    HA   ARG  28           HA       ARG  28 -11.461  10.740  -7.050
  288    HB2  ARG  28           HB2      ARG  28 -10.626   9.739  -8.955
  289    HB3  ARG  28           HB3      ARG  28 -10.034   8.333  -8.090
  290    HG2  ARG  28           HG2      ARG  28 -12.758   8.099  -7.832
  291    HG3  ARG  28           HG3      ARG  28 -12.569   8.768  -9.453
  292    HD2  ARG  28           HD2      ARG  28 -11.247   6.957 -10.162
  293    HD3  ARG  28           HD3      ARG  28 -10.951   6.419  -8.509
  294    HE   ARG  28           HE       ARG  28 -13.697   6.340  -9.503
  295   HH11  ARG  28          HH11      ARG  28 -10.782   4.612  -8.665
  296   HH12  ARG  28          HH12      ARG  28 -11.575   3.077  -8.547
  297   HH21  ARG  28          HH21      ARG  28 -14.741   4.319  -9.351
  298   HH22  ARG  28          HH22      ARG  28 -13.821   2.911  -8.940
  299    H    GLN  29           H        GLN  29 -13.571   9.756  -6.895
  300    HA   GLN  29           HA       GLN  29 -14.010   8.449  -4.358
  301    HB2  GLN  29           HB2      GLN  29 -15.832   9.636  -6.444
  302    HB3  GLN  29           HB3      GLN  29 -16.449   8.761  -5.049
  303    HG2  GLN  29           HG2      GLN  29 -15.334  10.350  -3.575
  304    HG3  GLN  29           HG3      GLN  29 -14.759  11.245  -4.981
  305   HE21  GLN  29          HE21      GLN  29 -17.536  10.396  -3.059
  306   HE22  GLN  29          HE22      GLN  29 -18.593  11.609  -3.688
  307    H    ILE  30           H        ILE  30 -14.860   6.439  -4.029
  308    HA   ILE  30           HA       ILE  30 -15.359   4.780  -6.411
  309    HB   ILE  30           HB       ILE  30 -14.417   2.868  -5.326
  310   HG12  ILE  30          HG12      ILE  30 -13.811   4.542  -2.899
  311   HG13  ILE  30          HG13      ILE  30 -15.300   3.612  -3.056
  312   HG21  ILE  30          HG21      ILE  30 -12.656   5.294  -5.057
  313   HG22  ILE  30          HG22      ILE  30 -12.689   4.107  -6.364
  314   HG23  ILE  30          HG23      ILE  30 -12.059   3.652  -4.772
  315   HD11  ILE  30          HD11      ILE  30 -13.308   1.788  -3.657
  316   HD12  ILE  30          HD12      ILE  30 -14.168   1.931  -2.125
  317   HD13  ILE  30          HD13      ILE  30 -12.624   2.752  -2.348
  318    H    GLN  31           H        GLN  31 -16.844   2.947  -5.932
  319    HA   GLN  31           HA       GLN  31 -18.864   3.708  -3.942
  320    HB2  GLN  31           HB2      GLN  31 -19.158   2.462  -6.668
  321    HB3  GLN  31           HB3      GLN  31 -20.443   2.387  -5.471
  322    HG2  GLN  31           HG2      GLN  31 -20.545   4.815  -5.407
  323    HG3  GLN  31           HG3      GLN  31 -19.227   4.911  -6.574
  324   HE21  GLN  31          HE21      GLN  31 -19.610   4.351  -8.721
  325   HE22  GLN  31          HE22      GLN  31 -21.207   4.233  -9.369
  326    H    THR  32           H        THR  32 -18.781   2.414  -2.242
  327    HA   THR  32           HA       THR  32 -18.130  -0.431  -2.642
  328    HB   THR  32           HB       THR  32 -17.515  -0.534  -0.300
  329    HG1  THR  32           HG1      THR  32 -17.554   1.380   0.953
  330   HG21  THR  32          HG21      THR  32 -16.287   1.609  -1.988
  331   HG22  THR  32          HG22      THR  32 -15.674  -0.001  -1.616
  332   HG23  THR  32          HG23      THR  32 -15.648   1.264  -0.377
  333    H    LYS  33           H        LYS  33 -19.046  -1.609  -0.465
  334    HA   LYS  33           HA       LYS  33 -21.893  -1.626  -0.894
  335    HB2  LYS  33           HB2      LYS  33 -21.885  -3.590   0.569
  336    HB3  LYS  33           HB3      LYS  33 -20.655  -3.731  -0.678
  337    HG2  LYS  33           HG2      LYS  33 -18.912  -3.272   0.849
  338    HG3  LYS  33           HG3      LYS  33 -20.048  -2.747   2.094
  339    HD2  LYS  33           HD2      LYS  33 -20.974  -5.096   2.069
  340    HD3  LYS  33           HD3      LYS  33 -19.597  -5.539   1.058
  341    HE2  LYS  33           HE2      LYS  33 -18.061  -4.814   2.801
  342    HE3  LYS  33           HE3      LYS  33 -19.417  -4.303   3.805
  343    HZ1  LYS  33           HZ1      LYS  33 -18.768  -7.079   2.975
  344    HZ2  LYS  33           HZ2      LYS  33 -20.175  -6.639   3.803
  345    HZ3  LYS  33           HZ3      LYS  33 -18.665  -6.434   4.536
  346    H    ASN  34           H        ASN  34 -19.812   0.062   1.082
  347    HA   ASN  34           HA       ASN  34 -21.831   0.382   3.206
  348    HB2  ASN  34           HB2      ASN  34 -18.862   0.970   3.256
  349    HB3  ASN  34           HB3      ASN  34 -19.974   1.312   4.577
  350   HD21  ASN  34          HD21      ASN  34 -20.861  -0.395   5.749
  351   HD22  ASN  34          HD22      ASN  34 -20.166  -1.977   5.718
  352    H    GLY  35           H        GLY  35 -21.139   1.750   0.414
  353    HA2  GLY  35           HA2      GLY  35 -22.372   3.875   0.041
  354    HA3  GLY  35           HA3      GLY  35 -21.513   4.500   1.439
  355    H    VAL  36           H        VAL  36 -20.572   6.211   0.312
  356    HA   VAL  36           HA       VAL  36 -18.596   5.378  -1.699
  357    HB   VAL  36           HB       VAL  36 -20.266   6.754  -2.742
  358   HG11  VAL  36          HG11      VAL  36 -20.683   9.065  -2.071
  359   HG12  VAL  36          HG12      VAL  36 -19.571   8.882  -0.714
  360   HG13  VAL  36          HG13      VAL  36 -21.069   7.952  -0.758
  361   HG21  VAL  36          HG21      VAL  36 -17.728   8.330  -2.354
  362   HG22  VAL  36          HG22      VAL  36 -18.867   8.491  -3.692
  363   HG23  VAL  36          HG23      VAL  36 -17.954   6.995  -3.485
  364    H    ARG  37           H        ARG  37 -16.576   6.054  -1.605
  365    HA   ARG  37           HA       ARG  37 -15.615   7.785   0.551
  366    HB2  ARG  37           HB2      ARG  37 -13.834   6.196   0.895
  367    HB3  ARG  37           HB3      ARG  37 -15.355   5.849   1.642
  368    HG2  ARG  37           HG2      ARG  37 -14.756   4.631  -1.010
  369    HG3  ARG  37           HG3      ARG  37 -14.071   3.922   0.448
  370    HD2  ARG  37           HD2      ARG  37 -16.972   4.579   0.327
  371    HD3  ARG  37           HD3      ARG  37 -16.369   3.100  -0.410
  372    HE   ARG  37           HE       ARG  37 -15.462   2.571   1.864
  373   HH11  ARG  37          HH11      ARG  37 -18.219   4.685   1.490
  374   HH12  ARG  37          HH12      ARG  37 -18.861   4.330   3.059
  375   HH21  ARG  37          HH21      ARG  37 -16.300   2.116   3.930
  376   HH22  ARG  37          HH22      ARG  37 -17.774   2.869   4.440
  377    H    THR  38           H        THR  38 -13.207   8.171   0.274
  378    HA   THR  38           HA       THR  38 -12.777   8.633  -2.608
  379    HB   THR  38           HB       THR  38 -11.371  10.637  -1.661
  380    HG1  THR  38           HG1      THR  38 -12.112  11.456   0.240
  381   HG21  THR  38          HG21      THR  38 -14.375  10.752  -1.848
  382   HG22  THR  38          HG22      THR  38 -13.248  10.883  -3.199
  383   HG23  THR  38          HG23      THR  38 -13.283  12.132  -1.955
  384    H    ILE  39           H        ILE  39 -11.239   7.305  -3.184
  385    HA   ILE  39           HA       ILE  39  -8.857   7.186  -1.471
  386    HB   ILE  39           HB       ILE  39  -8.585   4.829  -2.223
  387   HG12  ILE  39          HG12      ILE  39 -11.464   4.694  -2.837
  388   HG13  ILE  39          HG13      ILE  39 -10.451   5.427  -4.083
  389   HG21  ILE  39          HG21      ILE  39  -9.647   4.129  -0.382
  390   HG22  ILE  39          HG22      ILE  39 -11.191   4.809  -0.896
  391   HG23  ILE  39          HG23      ILE  39  -9.981   5.839  -0.151
  392   HD11  ILE  39          HD11      ILE  39  -9.057   3.169  -3.341
  393   HD12  ILE  39          HD12      ILE  39 -10.090   3.337  -4.758
  394   HD13  ILE  39          HD13      ILE  39 -10.742   2.662  -3.265
  395    H    SER  40           H        SER  40  -7.080   6.021  -2.773
  396    HA   SER  40           HA       SER  40  -7.081   6.569  -5.595
  397    HB2  SER  40           HB2      SER  40  -6.471   8.759  -4.479
  398    HB3  SER  40           HB3      SER  40  -5.022   7.938  -3.868
  399    HG   SER  40           HG       SER  40  -5.494   8.958  -6.315
  400    H    GLU  41           H        GLU  41  -4.928   5.945  -6.525
  401    HA   GLU  41           HA       GLU  41  -3.756   3.814  -4.910
  402    HB2  GLU  41           HB2      GLU  41  -5.365   3.220  -6.873
  403    HB3  GLU  41           HB3      GLU  41  -3.999   3.641  -7.894
  404    HG2  GLU  41           HG2      GLU  41  -3.033   1.900  -5.893
  405    HG3  GLU  41           HG3      GLU  41  -4.538   1.210  -6.500
  406    H    ALA  42           H        ALA  42  -1.592   3.663  -4.883
  407    HA   ALA  42           HA       ALA  42   0.023   5.245  -6.750
  408    HB1  ALA  42           HB1      ALA  42  -0.473   6.728  -4.859
  409    HB2  ALA  42           HB2      ALA  42   1.242   6.331  -4.959
  410    HB3  ALA  42           HB3      ALA  42   0.222   5.542  -3.754
  411    H    ILE  43           H        ILE  43   1.807   4.150  -7.323
  412    HA   ILE  43           HA       ILE  43   2.375   1.614  -6.061
  413    HB   ILE  43           HB       ILE  43   3.794   2.920  -8.385
  414   HG12  ILE  43          HG12      ILE  43   1.473   2.720  -8.971
  415   HG13  ILE  43          HG13      ILE  43   2.343   1.424  -9.783
  416   HG21  ILE  43          HG21      ILE  43   4.589   0.735  -8.939
  417   HG22  ILE  43          HG22      ILE  43   3.625   0.003  -7.657
  418   HG23  ILE  43          HG23      ILE  43   4.985   1.050  -7.249
  419   HD11  ILE  43          HD11      ILE  43   1.622  -0.095  -7.928
  420   HD12  ILE  43          HD12      ILE  43   0.318   0.526  -8.943
  421   HD13  ILE  43          HD13      ILE  43   0.602   1.223  -7.347
  422    H    VAL  44           H        VAL  44   3.897   1.257  -4.636
  423    HA   VAL  44           HA       VAL  44   6.264   2.964  -4.318
  424    HB   VAL  44           HB       VAL  44   6.077   1.792  -1.768
  425   HG11  VAL  44          HG11      VAL  44   5.057   4.316  -2.954
  426   HG12  VAL  44          HG12      VAL  44   5.558   4.016  -1.282
  427   HG13  VAL  44          HG13      VAL  44   3.879   3.675  -1.796
  428   HG21  VAL  44          HG21      VAL  44   4.074   0.603  -2.702
  429   HG22  VAL  44          HG22      VAL  44   3.326   2.200  -2.897
  430   HG23  VAL  44          HG23      VAL  44   3.737   1.609  -1.282
  431    H    GLY  45           H        GLY  45   7.899   1.849  -3.175
  432    HA2  GLY  45           HA2      GLY  45   7.957  -0.809  -2.520
  433    HA3  GLY  45           HA3      GLY  45   8.488  -0.779  -4.194
  434    H    ASP  46           H        ASP  46  10.190  -1.797  -2.416
  435    HA   ASP  46           HA       ASP  46  12.240   0.301  -2.158
  436    HB2  ASP  46           HB2      ASP  46  13.070  -0.882  -0.128
  437    HB3  ASP  46           HB3      ASP  46  11.457  -0.211   0.075
  438    H    GLU  47           H        GLU  47  14.315  -1.340  -1.333
  439    HA   GLU  47           HA       GLU  47  15.076  -2.528  -3.813
  440    HB2  GLU  47           HB2      GLU  47  17.162  -3.169  -2.507
  441    HB3  GLU  47           HB3      GLU  47  16.815  -1.452  -2.639
  442    HG2  GLU  47           HG2      GLU  47  16.646  -1.217  -0.434
  443    HG3  GLU  47           HG3      GLU  47  15.613  -2.637  -0.281
  444    H    THR  48           H        THR  48  13.109  -3.695  -1.459
  445    HA   THR  48           HA       THR  48  14.090  -6.455  -1.713
  446    HB   THR  48           HB       THR  48  12.958  -6.990   0.248
  447    HG1  THR  48           HG1      THR  48  11.086  -5.417  -0.667
  448   HG21  THR  48          HG21      THR  48  14.821  -5.227   0.462
  449   HG22  THR  48          HG22      THR  48  13.779  -5.511   1.855
  450   HG23  THR  48          HG23      THR  48  13.511  -4.102   0.827
  451    H    GLY  49           H        GLY  49  12.041  -4.504  -3.370
  452    HA2  GLY  49           HA2      GLY  49  10.892  -6.121  -5.063
  453    HA3  GLY  49           HA3      GLY  49   9.914  -6.486  -3.652
  454    H    ARG  50           H        ARG  50   8.029  -5.737  -4.552
  455    HA   ARG  50           HA       ARG  50   7.615  -2.911  -4.418
  456    HB2  ARG  50           HB2      ARG  50   8.385  -3.115  -6.712
  457    HB3  ARG  50           HB3      ARG  50   7.245  -4.425  -7.004
  458    HG2  ARG  50           HG2      ARG  50   5.515  -2.599  -6.227
  459    HG3  ARG  50           HG3      ARG  50   6.784  -1.517  -6.792
  460    HD2  ARG  50           HD2      ARG  50   5.863  -3.816  -8.477
  461    HD3  ARG  50           HD3      ARG  50   4.943  -2.316  -8.437
  462    HE   ARG  50           HE       ARG  50   7.786  -2.157  -9.055
  463   HH11  ARG  50          HH11      ARG  50   4.486  -2.026 -10.170
  464   HH12  ARG  50          HH12      ARG  50   4.891  -1.279 -11.679
  465   HH21  ARG  50          HH21      ARG  50   8.328  -1.171 -11.034
  466   HH22  ARG  50          HH22      ARG  50   7.076  -0.794 -12.171
  467    H    VAL  51           H        VAL  51   5.534  -2.429  -4.054
  468    HA   VAL  51           HA       VAL  51   3.455  -4.428  -4.266
  469    HB   VAL  51           HB       VAL  51   4.300  -4.919  -2.072
  470   HG11  VAL  51          HG11      VAL  51   4.010  -1.978  -1.465
  471   HG12  VAL  51          HG12      VAL  51   5.528  -2.857  -1.649
  472   HG13  VAL  51          HG13      VAL  51   4.451  -3.228  -0.302
  473   HG21  VAL  51          HG21      VAL  51   1.822  -3.236  -1.929
  474   HG22  VAL  51          HG22      VAL  51   2.339  -4.381  -0.690
  475   HG23  VAL  51          HG23      VAL  51   1.905  -4.955  -2.301
  476    H    LYS  52           H        LYS  52   1.528  -3.540  -4.773
  477    HA   LYS  52           HA       LYS  52   1.302  -0.785  -5.332
  478    HB2  LYS  52           HB2      LYS  52  -1.083  -2.582  -5.045
  479    HB3  LYS  52           HB3      LYS  52  -0.815  -1.281  -6.198
  480    HG2  LYS  52           HG2      LYS  52   1.191  -3.241  -6.624
  481    HG3  LYS  52           HG3      LYS  52  -0.365  -4.066  -6.524
  482    HD2  LYS  52           HD2      LYS  52  -1.264  -2.783  -8.297
  483    HD3  LYS  52           HD3      LYS  52   0.076  -1.636  -8.244
  484    HE2  LYS  52           HE2      LYS  52   0.313  -3.122 -10.150
  485    HE3  LYS  52           HE3      LYS  52   1.609  -3.415  -8.987
  486    HZ1  LYS  52           HZ1      LYS  52   0.385  -5.335  -8.169
  487    HZ2  LYS  52           HZ2      LYS  52   0.678  -5.483  -9.828
  488    HZ3  LYS  52           HZ3      LYS  52  -0.861  -5.047  -9.278
  489    H    LEU  53           H        LEU  53   0.622   0.892  -4.114
  490    HA   LEU  53           HA       LEU  53  -0.385   0.337  -1.414
  491    HB2  LEU  53           HB2      LEU  53   1.701   1.761  -1.886
  492    HB3  LEU  53           HB3      LEU  53   0.592   2.998  -2.428
  493    HG   LEU  53           HG       LEU  53   1.498   3.181  -0.051
  494   HD11  LEU  53          HD11      LEU  53  -0.376   4.521  -0.813
  495   HD12  LEU  53          HD12      LEU  53  -0.615   4.001   0.856
  496   HD13  LEU  53          HD13      LEU  53  -1.488   3.200  -0.451
  497   HD21  LEU  53          HD21      LEU  53   0.380   1.909   1.669
  498   HD22  LEU  53          HD22      LEU  53   1.212   0.824   0.554
  499   HD23  LEU  53          HD23      LEU  53  -0.537   1.020   0.454
  500    H    THR  54           H        THR  54  -2.234   1.180  -0.672
  501    HA   THR  54           HA       THR  54  -3.988   2.633  -2.494
  502    HB   THR  54           HB       THR  54  -5.244   0.710  -0.583
  503    HG1  THR  54           HG1      THR  54  -4.102   0.020  -3.116
  504   HG21  THR  54          HG21      THR  54  -6.210   1.078  -3.332
  505   HG22  THR  54          HG22      THR  54  -6.136   2.552  -2.377
  506   HG23  THR  54          HG23      THR  54  -7.084   1.183  -1.805
  507    H    LEU  55           H        LEU  55  -4.247   4.513  -1.600
  508    HA   LEU  55           HA       LEU  55  -4.175   4.950   1.236
  509    HB2  LEU  55           HB2      LEU  55  -4.947   6.972  -0.793
  510    HB3  LEU  55           HB3      LEU  55  -4.029   7.188   0.666
  511    HG   LEU  55           HG       LEU  55  -2.597   5.431  -1.076
  512   HD11  LEU  55          HD11      LEU  55  -2.163   7.538  -2.655
  513   HD12  LEU  55          HD12      LEU  55  -3.869   7.750  -2.293
  514   HD13  LEU  55          HD13      LEU  55  -3.319   6.258  -3.031
  515   HD21  LEU  55          HD21      LEU  55  -1.646   6.786   0.750
  516   HD22  LEU  55          HD22      LEU  55  -1.971   8.238  -0.200
  517   HD23  LEU  55          HD23      LEU  55  -0.830   7.031  -0.796
  518    H    TRP  56           H        TRP  56  -5.946   5.935   2.423
  519    HA   TRP  56           HA       TRP  56  -8.552   5.545   1.135
  520    HB2  TRP  56           HB2      TRP  56  -7.541   4.394   3.689
  521    HB3  TRP  56           HB3      TRP  56  -9.263   4.674   3.497
  522    HD1  TRP  56           HD1      TRP  56  -6.427   2.444   2.292
  523    HE1  TRP  56           HE1      TRP  56  -7.345   0.557   0.836
  524    HE3  TRP  56           HE3      TRP  56 -11.285   4.055   1.885
  525    HZ2  TRP  56           HZ2      TRP  56  -9.906  -0.196  -0.291
  526    HZ3  TRP  56           HZ3      TRP  56 -12.862   2.696   0.608
  527    HH2  TRP  56           HH2      TRP  56 -12.191   0.637  -0.456
  528    H    GLY  57           H        GLY  57  -9.782   7.187   1.149
  529    HA2  GLY  57           HA2      GLY  57 -10.971   9.013   1.726
  530    HA3  GLY  57           HA3      GLY  57 -10.456   8.797   3.370
  531    H    LYS  58           H        LYS  58  -8.667  10.062   4.134
  532    HA   LYS  58           HA       LYS  58  -8.163  12.409   2.515
  533    HB2  LYS  58           HB2      LYS  58  -6.709  12.988   4.645
  534    HB3  LYS  58           HB3      LYS  58  -8.459  13.143   4.652
  535    HG2  LYS  58           HG2      LYS  58  -7.918  12.092   6.670
  536    HG3  LYS  58           HG3      LYS  58  -8.513  10.799   5.629
  537    HD2  LYS  58           HD2      LYS  58  -5.891  10.704   5.038
  538    HD3  LYS  58           HD3      LYS  58  -5.806  11.282   6.703
  539    HE2  LYS  58           HE2      LYS  58  -7.503   8.930   5.952
  540    HE3  LYS  58           HE3      LYS  58  -5.779   8.752   6.274
  541    HZ1  LYS  58           HZ1      LYS  58  -7.063   8.330   8.263
  542    HZ2  LYS  58           HZ2      LYS  58  -7.810   9.843   8.152
  543    HZ3  LYS  58           HZ3      LYS  58  -6.152   9.741   8.469
  544    H    HIS  59           H        HIS  59  -6.430   9.514   3.315
  545    HA   HIS  59           HA       HIS  59  -3.821  10.449   2.698
  546    HB2  HIS  59           HB2      HIS  59  -5.101   7.741   2.960
  547    HB3  HIS  59           HB3      HIS  59  -3.483   7.898   2.292
  548    HD2  HIS  59           HD2      HIS  59  -4.809   7.012   5.579
  549    HE1  HIS  59           HE1      HIS  59  -1.427   9.428   6.456
  550    HE2  HIS  59           HE2      HIS  59  -3.106   7.770   7.339
  551    H    ALA  60           H        ALA  60  -6.562   9.521   0.861
  552    HA   ALA  60           HA       ALA  60  -5.448   8.614  -1.508
  553    HB1  ALA  60           HB1      ALA  60  -7.552   8.629  -2.267
  554    HB2  ALA  60           HB2      ALA  60  -7.787  10.329  -1.853
  555    HB3  ALA  60           HB3      ALA  60  -7.972   9.087  -0.612
  556    H    GLY  61           H        GLY  61  -4.215   9.529  -3.009
  557    HA2  GLY  61           HA2      GLY  61  -3.101  11.110  -4.219
  558    HA3  GLY  61           HA3      GLY  61  -4.545  12.047  -4.075
  559    H    SER  62           H        SER  62  -3.387  11.392  -1.012
  560    HA   SER  62           HA       SER  62  -2.545  14.142  -0.698
  561    HB2  SER  62           HB2      SER  62  -3.925  13.364   1.059
  562    HB3  SER  62           HB3      SER  62  -2.991  11.863   1.229
  563    HG   SER  62           HG       SER  62  -1.543  12.890   2.396
  564    H    ILE  63           H        ILE  63  -1.044  11.113  -1.210
  565    HA   ILE  63           HA       ILE  63   1.434  11.716   0.089
  566    HB   ILE  63           HB       ILE  63   2.312   9.771  -1.328
  567   HG12  ILE  63          HG12      ILE  63  -0.220   8.576  -1.807
  568   HG13  ILE  63          HG13      ILE  63  -0.260  10.173  -2.545
  569   HG21  ILE  63          HG21      ILE  63   1.254   8.138   0.119
  570   HG22  ILE  63          HG22      ILE  63  -0.067   9.249   0.477
  571   HG23  ILE  63          HG23      ILE  63   1.567   9.613   1.033
  572   HD11  ILE  63          HD11      ILE  63   0.501   8.585  -4.160
  573   HD12  ILE  63          HD12      ILE  63   1.746   7.994  -3.060
  574   HD13  ILE  63          HD13      ILE  63   1.850   9.628  -3.716
  575    H    LYS  64           H        LYS  64   3.514  11.521  -1.261
  576    HA   LYS  64           HA       LYS  64   3.347  13.539  -3.378
  577    HB2  LYS  64           HB2      LYS  64   5.271  12.931  -1.237
  578    HB3  LYS  64           HB3      LYS  64   5.999  13.310  -2.793
  579    HG2  LYS  64           HG2      LYS  64   4.597  15.392  -2.827
  580    HG3  LYS  64           HG3      LYS  64   4.158  15.032  -1.157
  581    HD2  LYS  64           HD2      LYS  64   6.796  14.836  -0.909
  582    HD3  LYS  64           HD3      LYS  64   6.755  15.925  -2.297
  583    HE2  LYS  64           HE2      LYS  64   5.526  17.556  -1.092
  584    HE3  LYS  64           HE3      LYS  64   5.188  16.430   0.222
  585    HZ1  LYS  64           HZ1      LYS  64   6.924  17.999   0.819
  586    HZ2  LYS  64           HZ2      LYS  64   7.868  17.494  -0.490
  587    HZ3  LYS  64           HZ3      LYS  64   7.538  16.422   0.776
  588    H    GLU  65           H        GLU  65   5.570  13.244  -4.736
  589    HA   GLU  65           HA       GLU  65   5.248  10.755  -6.172
  590    HB2  GLU  65           HB2      GLU  65   6.093  13.446  -6.800
  591    HB3  GLU  65           HB3      GLU  65   7.322  12.294  -7.302
  592    HG2  GLU  65           HG2      GLU  65   5.886  11.215  -8.791
  593    HG3  GLU  65           HG3      GLU  65   4.464  11.886  -7.979
  594    H    GLY  66           H        GLY  66   7.717  10.215  -7.162
  595    HA2  GLY  66           HA2      GLY  66   8.858   8.519  -5.395
  596    HA3  GLY  66           HA3      GLY  66   9.782   9.323  -6.642
  597    H    GLN  67           H        GLN  67   8.784   9.403  -3.301
  598    HA   GLN  67           HA       GLN  67  11.183  10.891  -2.548
  599    HB2  GLN  67           HB2      GLN  67   9.911  12.259  -0.978
  600    HB3  GLN  67           HB3      GLN  67   9.316  12.530  -2.609
  601    HG2  GLN  67           HG2      GLN  67   7.295  12.222  -1.772
  602    HG3  GLN  67           HG3      GLN  67   7.704  10.509  -1.734
  603   HE21  GLN  67          HE21      GLN  67   8.454   9.610   0.222
  604   HE22  GLN  67          HE22      GLN  67   8.070  10.337   1.741
  605    H    VAL  68           H        VAL  68  11.627  10.547  -0.124
  606    HA   VAL  68           HA       VAL  68  11.228   7.777   0.426
  607    HB   VAL  68           HB       VAL  68  12.574   9.727   2.267
  608   HG11  VAL  68          HG11      VAL  68  12.593   6.836   1.745
  609   HG12  VAL  68          HG12      VAL  68  12.375   7.673   3.275
  610   HG13  VAL  68          HG13      VAL  68  13.978   7.570   2.546
  611   HG21  VAL  68          HG21      VAL  68  14.653   9.265   1.122
  612   HG22  VAL  68          HG22      VAL  68  13.486  10.076   0.060
  613   HG23  VAL  68          HG23      VAL  68  13.739   8.303  -0.067
  614    H    VAL  69           H        VAL  69   9.466   7.097   1.408
  615    HA   VAL  69           HA       VAL  69   8.242   8.804   3.475
  616    HB   VAL  69           HB       VAL  69   6.314   6.923   2.718
  617   HG11  VAL  69          HG11      VAL  69   5.016   8.821   2.077
  618   HG12  VAL  69          HG12      VAL  69   6.465   9.806   1.861
  619   HG13  VAL  69          HG13      VAL  69   5.997   9.262   3.474
  620   HG21  VAL  69          HG21      VAL  69   8.043   7.470   0.490
  621   HG22  VAL  69          HG22      VAL  69   6.425   8.096   0.176
  622   HG23  VAL  69          HG23      VAL  69   6.648   6.395   0.584
  623    H    LYS  70           H        LYS  70   6.721   7.308   4.886
  624    HA   LYS  70           HA       LYS  70   8.048   4.776   5.480
  625    HB2  LYS  70           HB2      LYS  70   9.008   6.654   6.907
  626    HB3  LYS  70           HB3      LYS  70   7.423   6.765   7.660
  627    HG2  LYS  70           HG2      LYS  70   8.057   4.068   7.786
  628    HG3  LYS  70           HG3      LYS  70   9.572   4.899   8.144
  629    HD2  LYS  70           HD2      LYS  70   8.281   6.295   9.801
  630    HD3  LYS  70           HD3      LYS  70   6.926   5.190   9.555
  631    HE2  LYS  70           HE2      LYS  70   8.361   3.314  10.249
  632    HE3  LYS  70           HE3      LYS  70   9.678   4.450  10.544
  633    HZ1  LYS  70           HZ1      LYS  70   8.516   3.893  12.585
  634    HZ2  LYS  70           HZ2      LYS  70   7.053   4.442  11.939
  635    HZ3  LYS  70           HZ3      LYS  70   8.314   5.534  12.223
  636    H    ILE  71           H        ILE  71   6.423   3.395   5.192
  637    HA   ILE  71           HA       ILE  71   3.695   4.095   5.747
  638    HB   ILE  71           HB       ILE  71   4.865   1.391   5.091
  639   HG12  ILE  71          HG12      ILE  71   5.192   3.317   3.423
  640   HG13  ILE  71          HG13      ILE  71   4.462   1.831   2.817
  641   HG21  ILE  71          HG21      ILE  71   2.057   2.423   5.278
  642   HG22  ILE  71          HG22      ILE  71   2.760   0.980   6.013
  643   HG23  ILE  71          HG23      ILE  71   2.459   1.028   4.276
  644   HD11  ILE  71          HD11      ILE  71   3.424   3.993   2.042
  645   HD12  ILE  71          HD12      ILE  71   2.871   4.234   3.701
  646   HD13  ILE  71          HD13      ILE  71   2.305   2.843   2.775
  647    H    GLU  72           H        GLU  72   2.357   3.306   7.433
  648    HA   GLU  72           HA       GLU  72   3.813   2.130   9.637
  649    HB2  GLU  72           HB2      GLU  72   2.657   4.566   9.629
  650    HB3  GLU  72           HB3      GLU  72   1.329   3.627  10.205
  651    HG2  GLU  72           HG2      GLU  72   3.790   2.955  11.548
  652    HG3  GLU  72           HG3      GLU  72   3.425   4.673  11.687
  653    H    ASN  73           H        ASN  73   1.995   1.412  11.184
  654    HA   ASN  73           HA       ASN  73   0.995  -1.019  10.406
  655    HB2  ASN  73           HB2      ASN  73   1.057   0.436  12.698
  656    HB3  ASN  73           HB3      ASN  73  -0.625   0.463  12.268
  657   HD21  ASN  73          HD21      ASN  73  -1.811  -1.235  12.991
  658   HD22  ASN  73          HD22      ASN  73  -1.200  -2.754  13.513
  659    H    ALA  74           H        ALA  74  -0.124  -1.165   8.569
  660    HA   ALA  74           HA       ALA  74  -2.785   0.102   8.546
  661    HB1  ALA  74           HB1      ALA  74  -1.542   1.077   6.775
  662    HB2  ALA  74           HB2      ALA  74  -2.605  -0.121   6.036
  663    HB3  ALA  74           HB3      ALA  74  -0.895  -0.485   6.278
  664    H    TRP  75           H        TRP  75  -1.915  -2.110   6.092
  665    HA   TRP  75           HA       TRP  75  -2.396  -4.596   7.238
  666    HB2  TRP  75           HB2      TRP  75  -4.736  -4.990   6.426
  667    HB3  TRP  75           HB3      TRP  75  -4.605  -3.935   7.825
  668    HD1  TRP  75           HD1      TRP  75  -5.414  -3.786   4.052
  669    HE1  TRP  75           HE1      TRP  75  -6.754  -1.657   3.629
  670    HE3  TRP  75           HE3      TRP  75  -5.067  -1.630   8.639
  671    HZ2  TRP  75           HZ2      TRP  75  -7.520   0.616   5.006
  672    HZ3  TRP  75           HZ3      TRP  75  -6.143   0.554   9.004
  673    HH2  TRP  75           HH2      TRP  75  -7.380   1.648   7.191
  674    H    THR  76           H        THR  76  -3.270  -6.155   5.598
  675    HA   THR  76           HA       THR  76  -2.489  -5.406   2.890
  676    HB   THR  76           HB       THR  76  -1.387  -7.726   2.750
  677    HG1  THR  76           HG1      THR  76  -0.403  -8.229   4.890
  678   HG21  THR  76          HG21      THR  76   0.773  -6.800   3.713
  679   HG22  THR  76          HG22      THR  76  -0.166  -5.371   4.159
  680   HG23  THR  76          HG23      THR  76  -0.024  -5.840   2.463
  681    H    THR  77           H        THR  77  -3.751  -6.258   1.396
  682    HA   THR  77           HA       THR  77  -5.521  -8.466   2.154
  683    HB   THR  77           HB       THR  77  -7.461  -7.433   1.377
  684    HG1  THR  77           HG1      THR  77  -6.208  -6.650  -0.593
  685   HG21  THR  77          HG21      THR  77  -6.713  -6.296   3.433
  686   HG22  THR  77          HG22      THR  77  -7.582  -5.182   2.378
  687   HG23  THR  77          HG23      THR  77  -5.824  -5.120   2.465
  688    H    ALA  78           H        ALA  78  -5.560 -10.072   0.656
  689    HA   ALA  78           HA       ALA  78  -3.849  -9.729  -1.659
  690    HB1  ALA  78           HB1      ALA  78  -3.602 -11.707  -0.251
  691    HB2  ALA  78           HB2      ALA  78  -4.014 -12.138  -1.912
  692    HB3  ALA  78           HB3      ALA  78  -5.247 -12.199  -0.652
  693    H    PHE  79           H        PHE  79  -4.759  -8.777  -3.372
  694    HA   PHE  79           HA       PHE  79  -7.453  -9.477  -4.158
  695    HB2  PHE  79           HB2      PHE  79  -6.375  -7.073  -4.049
  696    HB3  PHE  79           HB3      PHE  79  -5.753  -7.523  -5.650
  697    HD1  PHE  79           HD1      PHE  79  -8.791  -7.157  -3.638
  698    HD2  PHE  79           HD2      PHE  79  -7.157  -7.552  -7.523
  699    HE1  PHE  79           HE1      PHE  79 -10.977  -6.717  -4.592
  700    HE2  PHE  79           HE2      PHE  79  -9.344  -7.091  -8.493
  701    HZ   PHE  79           HZ       PHE  79 -11.282  -6.671  -7.032
  702    H    LYS  80           H        LYS  80  -7.797 -10.970  -5.634
  703    HA   LYS  80           HA       LYS  80  -7.554 -12.428  -7.344
  704    HB2  LYS  80           HB2      LYS  80  -5.564 -10.435  -8.434
  705    HB3  LYS  80           HB3      LYS  80  -6.412 -11.676  -9.346
  706    HG2  LYS  80           HG2      LYS  80  -7.842  -9.484  -7.881
  707    HG3  LYS  80           HG3      LYS  80  -7.286  -9.314  -9.543
  708    HD2  LYS  80           HD2      LYS  80  -8.659 -11.246 -10.188
  709    HD3  LYS  80           HD3      LYS  80  -9.218 -11.395  -8.518
  710    HE2  LYS  80           HE2      LYS  80 -10.177  -9.142  -8.645
  711    HE3  LYS  80           HE3      LYS  80  -9.629  -9.005 -10.314
  712    HZ1  LYS  80           HZ1      LYS  80 -11.948  -9.607 -10.235
  713    HZ2  LYS  80           HZ2      LYS  80 -11.611 -10.963  -9.284
  714    HZ3  LYS  80           HZ3      LYS  80 -11.055 -10.892 -10.879
  715    H    GLY  81           H        GLY  81  -5.548 -12.413  -4.998
  716    HA2  GLY  81           HA2      GLY  81  -4.237 -14.358  -4.522
  717    HA3  GLY  81           HA3      GLY  81  -3.810 -14.447  -6.221
  718    H    GLN  82           H        GLN  82  -3.428 -11.317  -5.845
  719    HA   GLN  82           HA       GLN  82  -0.635 -11.604  -4.984
  720    HB2  GLN  82           HB2      GLN  82  -1.074  -8.996  -5.972
  721    HB3  GLN  82           HB3      GLN  82  -0.124 -10.277  -6.706
  722    HG2  GLN  82           HG2      GLN  82  -1.581 -10.492  -8.358
  723    HG3  GLN  82           HG3      GLN  82  -2.928 -10.650  -7.235
  724   HE21  GLN  82          HE21      GLN  82  -2.530  -8.075  -5.998
  725   HE22  GLN  82          HE22      GLN  82  -3.041  -6.885  -7.140
  726    H    VAL  83           H        VAL  83   0.177 -10.445  -3.280
  727    HA   VAL  83           HA       VAL  83  -1.710  -9.469  -1.386
  728    HB   VAL  83           HB       VAL  83   1.250  -8.923  -1.220
  729   HG11  VAL  83          HG11      VAL  83   0.419  -9.643   1.251
  730   HG12  VAL  83          HG12      VAL  83  -1.035  -8.878   0.606
  731   HG13  VAL  83          HG13      VAL  83   0.481  -7.983   0.657
  732   HG21  VAL  83          HG21      VAL  83   1.009 -11.271  -1.838
  733   HG22  VAL  83          HG22      VAL  83  -0.129 -11.508  -0.513
  734   HG23  VAL  83          HG23      VAL  83   1.555 -11.109  -0.169
  735    H    GLN  84           H        GLN  84  -1.835  -7.306  -0.513
  736    HA   GLN  84           HA       GLN  84  -0.700  -5.182  -2.155
  737    HB2  GLN  84           HB2      GLN  84  -3.214  -6.008  -2.755
  738    HB3  GLN  84           HB3      GLN  84  -3.565  -4.795  -1.533
  739    HG2  GLN  84           HG2      GLN  84  -2.447  -3.103  -2.792
  740    HG3  GLN  84           HG3      GLN  84  -1.850  -4.291  -3.948
  741   HE21  GLN  84          HE21      GLN  84  -4.523  -2.365  -2.935
  742   HE22  GLN  84          HE22      GLN  84  -5.573  -2.733  -4.286
  743    H    LEU  85           H        LEU  85  -1.045  -3.028  -1.140
  744    HA   LEU  85           HA       LEU  85  -1.301  -3.253   1.788
  745    HB2  LEU  85           HB2      LEU  85   1.019  -2.830   0.438
  746    HB3  LEU  85           HB3      LEU  85   0.505  -1.185   0.736
  747    HG   LEU  85           HG       LEU  85   0.267  -2.683   3.167
  748   HD11  LEU  85          HD11      LEU  85   2.643  -3.207   3.512
  749   HD12  LEU  85          HD12      LEU  85   2.961  -2.832   1.819
  750   HD13  LEU  85          HD13      LEU  85   1.926  -4.195   2.240
  751   HD21  LEU  85          HD21      LEU  85   1.879  -0.959   3.930
  752   HD22  LEU  85          HD22      LEU  85   0.488  -0.290   3.076
  753   HD23  LEU  85          HD23      LEU  85   2.044  -0.425   2.257
  754    H    ASN  86           H        ASN  86  -2.149  -1.419   2.873
  755    HA   ASN  86           HA       ASN  86  -3.240   0.718   1.143
  756    HB2  ASN  86           HB2      ASN  86  -4.804  -0.622   3.357
  757    HB3  ASN  86           HB3      ASN  86  -5.380   0.615   2.272
  758   HD21  ASN  86          HD21      ASN  86  -4.124  -2.620   2.393
  759   HD22  ASN  86          HD22      ASN  86  -4.969  -3.211   1.006
  760    H    ALA  87           H        ALA  87  -4.132   2.545   2.521
  761    HA   ALA  87           HA       ALA  87  -2.841   2.607   5.147
  762    HB1  ALA  87           HB1      ALA  87  -2.656   4.894   3.201
  763    HB2  ALA  87           HB2      ALA  87  -1.368   3.722   3.477
  764    HB3  ALA  87           HB3      ALA  87  -1.894   4.778   4.788
  765    H    GLY  88           H        GLY  88  -4.342   3.017   6.582
  766    HA2  GLY  88           HA2      GLY  88  -6.513   4.865   5.898
  767    HA3  GLY  88           HA3      GLY  88  -6.713   3.490   6.885
  768    H    SER  89           H        SER  89  -7.131   4.017   8.893
  769    HA   SER  89           HA       SER  89  -6.290   6.558   9.888
  770    HB2  SER  89           HB2      SER  89  -7.884   4.342  11.191
  771    HB3  SER  89           HB3      SER  89  -7.567   5.903  11.947
  772    HG   SER  89           HG       SER  89  -9.588   5.453  10.542
  773    H    LYS  90           H        LYS  90  -5.683   3.191  11.195
  774    HA   LYS  90           HA       LYS  90  -3.882   4.224  13.161
  775    HB2  LYS  90           HB2      LYS  90  -3.284   1.993  13.753
  776    HB3  LYS  90           HB3      LYS  90  -4.997   1.980  13.447
  777    HG2  LYS  90           HG2      LYS  90  -3.428   1.284  11.108
  778    HG3  LYS  90           HG3      LYS  90  -3.171   0.216  12.478
  779    HD2  LYS  90           HD2      LYS  90  -5.903   0.549  12.457
  780    HD3  LYS  90           HD3      LYS  90  -5.486   0.484  10.745
  781    HE2  LYS  90           HE2      LYS  90  -4.936  -1.687  10.837
  782    HE3  LYS  90           HE3      LYS  90  -4.103  -1.507  12.379
  783    HZ1  LYS  90           HZ1      LYS  90  -6.306  -1.463  13.458
  784    HZ2  LYS  90           HZ2      LYS  90  -5.979  -2.926  12.676
  785    HZ3  LYS  90           HZ3      LYS  90  -7.025  -1.802  11.964
  786    H    THR  91           H        THR  91  -3.582   4.184   9.982
  787    HA   THR  91           HA       THR  91  -0.713   3.591   9.908
  788    HB   THR  91           HB       THR  91  -2.362   4.470   7.542
  789    HG1  THR  91           HG1      THR  91  -2.369   1.906   8.767
  790   HG21  THR  91          HG21      THR  91  -0.040   2.561   7.849
  791   HG22  THR  91          HG22      THR  91   0.044   4.217   7.246
  792   HG23  THR  91          HG23      THR  91  -0.825   2.988   6.329
  793    H    LYS  92           H        LYS  92   0.693   5.275   9.961
  794    HA   LYS  92           HA       LYS  92  -0.307   7.968   9.294
  795    HB2  LYS  92           HB2      LYS  92   1.125   6.986  11.648
  796    HB3  LYS  92           HB3      LYS  92   1.926   8.357  10.893
  797    HG2  LYS  92           HG2      LYS  92   0.492   9.246  12.533
  798    HG3  LYS  92           HG3      LYS  92  -0.287   9.555  10.981
  799    HD2  LYS  92           HD2      LYS  92  -1.721   7.587  11.326
  800    HD3  LYS  92           HD3      LYS  92  -0.955   7.316  12.894
  801    HE2  LYS  92           HE2      LYS  92  -1.730   9.543  13.621
  802    HE3  LYS  92           HE3      LYS  92  -2.549   9.743  12.073
  803    HZ1  LYS  92           HZ1      LYS  92  -4.085   9.005  13.770
  804    HZ2  LYS  92           HZ2      LYS  92  -3.134   7.645  14.092
  805    HZ3  LYS  92           HZ3      LYS  92  -3.904   7.800  12.595
  806    H    ILE  93           H        ILE  93   0.520   8.516   7.348
  807    HA   ILE  93           HA       ILE  93   3.139   7.433   6.611
  808    HB   ILE  93           HB       ILE  93   1.453   9.128   4.797
  809   HG12  ILE  93          HG12      ILE  93   1.146   6.137   5.185
  810   HG13  ILE  93          HG13      ILE  93  -0.002   7.346   5.743
  811   HG21  ILE  93          HG21      ILE  93   3.737   8.592   4.117
  812   HG22  ILE  93          HG22      ILE  93   2.553   7.814   3.058
  813   HG23  ILE  93          HG23      ILE  93   3.387   6.870   4.293
  814   HD11  ILE  93          HD11      ILE  93   0.696   6.643   2.910
  815   HD12  ILE  93          HD12      ILE  93  -0.245   8.067   3.358
  816   HD13  ILE  93          HD13      ILE  93  -0.852   6.454   3.737
  817    H    ALA  94           H        ALA  94   4.914   8.660   6.158
  818    HA   ALA  94           HA       ALA  94   4.875  11.555   5.949
  819    HB1  ALA  94           HB1      ALA  94   6.197  11.983   7.902
  820    HB2  ALA  94           HB2      ALA  94   5.949  10.315   8.494
  821    HB3  ALA  94           HB3      ALA  94   4.573  11.427   8.371
  822    H    GLU  95           H        GLU  95   6.822  12.479   5.322
  823    HA   GLU  95           HA       GLU  95   8.566  10.832   3.861
  824    HB2  GLU  95           HB2      GLU  95   9.283  13.635   4.705
  825    HB3  GLU  95           HB3      GLU  95   9.536  12.701   3.400
  826    HG2  GLU  95           HG2      GLU  95   8.104  13.790   2.374
  827    HG3  GLU  95           HG3      GLU  95   6.985  12.748   3.074
  828    H    ALA  96           H        ALA  96  10.440   9.990   4.292
  829    HA   ALA  96           HA       ALA  96  11.604  10.400   6.984
  830    HB1  ALA  96           HB1      ALA  96  12.036   8.107   7.285
  831    HB2  ALA  96           HB2      ALA  96  11.702   7.747   5.584
  832    HB3  ALA  96           HB3      ALA  96  10.378   8.181   6.679
  833    H    SER  97           H        SER  97  13.784  10.653   7.080
  834    HA   SER  97           HA       SER  97  15.226  10.584   4.513
  835    HB2  SER  97           HB2      SER  97  16.819  12.169   5.680
  836    HB3  SER  97           HB3      SER  97  15.240  12.790   5.318
  837    HG   SER  97           HG       SER  97  15.423  11.568   7.772
  838    H    GLU  98           H        GLU  98  16.788   9.132   4.269
  839    HA   GLU  98           HA       GLU  98  18.091   8.041   6.672
  840    HB2  GLU  98           HB2      GLU  98  17.117   6.494   4.261
  841    HB3  GLU  98           HB3      GLU  98  18.120   5.810   5.508
  842    HG2  GLU  98           HG2      GLU  98  15.705   7.073   6.489
  843    HG3  GLU  98           HG3      GLU  98  15.489   5.625   5.507
  844    H    ASP  99           H        ASP  99  19.799   6.270   5.099
  845    HA   ASP  99           HA       ASP  99  21.781   8.127   4.336
  846    HB2  ASP  99           HB2      ASP  99  21.626   5.135   4.529
  847    HB3  ASP  99           HB3      ASP  99  22.997   5.904   3.734
  848    H    GLY 100           H        GLY 100  19.201   7.752   2.718
  849    HA2  GLY 100           HA2      GLY 100  19.032   8.322   0.419
  850    HA3  GLY 100           HA3      GLY 100  20.589   7.568   0.112
  851    H    PHE 101           H        PHE 101  17.177   6.954   0.713
  852    HA   PHE 101           HA       PHE 101  17.204   4.166   0.419
  853    HB2  PHE 101           HB2      PHE 101  15.272   6.139   0.845
  854    HB3  PHE 101           HB3      PHE 101  14.800   5.377  -0.670
  855    HD1  PHE 101           HD2      PHE 101  15.898   4.453   2.778
  856    HD2  PHE 101           HD1      PHE 101  13.458   3.517  -0.580
  857    HE1  PHE 101           HE2      PHE 101  14.916   2.581   4.021
  858    HE2  PHE 101           HE1      PHE 101  12.448   1.679   0.623
  859    HZ   PHE 101           HZ       PHE 101  13.190   1.176   2.971
  860    HA   PRO 102           HA       PRO 102  18.103   3.318  -3.821
  861    HB2  PRO 102           HB2      PRO 102  15.690   1.564  -3.729
  862    HB3  PRO 102           HB3      PRO 102  17.338   1.187  -4.257
  863    HG2  PRO 102           HG2      PRO 102  16.471   0.329  -1.906
  864    HG3  PRO 102           HG3      PRO 102  18.131   0.931  -2.097
  865    HD2  PRO 102           HD2      PRO 102  15.773   2.251  -0.836
  866    HD3  PRO 102           HD3      PRO 102  17.498   2.328  -0.388
  867    H    GLU 103           H        GLU 103  17.507   4.045  -5.813
  868    HA   GLU 103           HA       GLU 103  15.307   5.864  -5.969
  869    HB2  GLU 103           HB2      GLU 103  17.653   5.826  -7.209
  870    HB3  GLU 103           HB3      GLU 103  16.735   4.942  -8.419
  871    HG2  GLU 103           HG2      GLU 103  15.266   6.762  -8.770
  872    HG3  GLU 103           HG3      GLU 103  15.871   7.611  -7.348
  873    H    SER 104           H        SER 104  13.660   5.789  -7.675
  874    HA   SER 104           HA       SER 104  12.187   3.386  -7.587
  875    HB2  SER 104           HB2      SER 104  11.746   5.551  -9.636
  876    HB3  SER 104           HB3      SER 104  10.549   4.506  -8.870
  877    HG   SER 104           HG       SER 104  12.052   6.556  -7.604
  878    H    SER 105           H        SER 105  14.549   4.610  -9.817
  879    HA   SER 105           HA       SER 105  13.864   2.759 -11.923
  880    HB2  SER 105           HB2      SER 105  15.430   5.121 -11.702
  881    HB3  SER 105           HB3      SER 105  16.493   3.831 -12.265
  882    HG   SER 105           HG       SER 105  15.375   3.673 -14.078
  883    H    GLN 106           H        GLN 106  15.387   2.440  -9.008
  884    HA   GLN 106           HA       GLN 106  16.956   0.137  -9.970
  885    HB2  GLN 106           HB2      GLN 106  17.625   1.820  -7.565
  886    HB3  GLN 106           HB3      GLN 106  18.589   0.555  -8.247
  887    HG2  GLN 106           HG2      GLN 106  18.641   2.044 -10.365
  888    HG3  GLN 106           HG3      GLN 106  18.067   3.309  -9.280
  889   HE21  GLN 106          HE21      GLN 106  20.427   0.696  -8.872
  890   HE22  GLN 106          HE22      GLN 106  21.743   1.719  -8.424
  891    H    ILE 107           H        ILE 107  14.191   0.795  -8.617
  892    HA   ILE 107           HA       ILE 107  14.387  -0.983  -6.308
  893    HB   ILE 107           HB       ILE 107  12.360   0.988  -7.262
  894   HG12  ILE 107          HG12      ILE 107  13.173   0.373  -4.435
  895   HG13  ILE 107          HG13      ILE 107  14.222   1.318  -5.489
  896   HG21  ILE 107          HG21      ILE 107  10.663   0.117  -5.738
  897   HG22  ILE 107          HG22      ILE 107  11.699  -1.270  -5.360
  898   HG23  ILE 107          HG23      ILE 107  11.048  -1.060  -6.994
  899   HD11  ILE 107          HD11      ILE 107  11.462   2.231  -5.436
  900   HD12  ILE 107          HD12      ILE 107  12.979   3.127  -5.311
  901   HD13  ILE 107          HD13      ILE 107  12.294   2.323  -3.881
  902    HA   PRO 108           HA       PRO 108  13.229  -4.509  -8.837
  903    HB2  PRO 108           HB2      PRO 108  12.371  -5.518  -6.167
  904    HB3  PRO 108           HB3      PRO 108  13.395  -6.292  -7.386
  905    HG2  PRO 108           HG2      PRO 108  14.487  -5.264  -5.206
  906    HG3  PRO 108           HG3      PRO 108  15.277  -5.087  -6.787
  907    HD2  PRO 108           HD2      PRO 108  13.735  -3.074  -5.215
  908    HD3  PRO 108           HD3      PRO 108  15.179  -2.857  -6.227
  909    H    GLU 109           H        GLU 109  11.279  -5.791  -9.217
  910    HA   GLU 109           HA       GLU 109   8.827  -4.342  -8.454
  911    HB2  GLU 109           HB2      GLU 109   7.927  -5.155 -10.696
  912    HB3  GLU 109           HB3      GLU 109   9.136  -3.879 -10.755
  913    HG2  GLU 109           HG2      GLU 109  10.830  -5.396 -11.429
  914    HG3  GLU 109           HG3      GLU 109   9.799  -6.788 -11.102
  915    H    ASN 110           H        ASN 110  10.382  -6.956  -7.656
  916    HA   ASN 110           HA       ASN 110   8.817  -9.182  -8.198
  917    HB2  ASN 110           HB2      ASN 110  11.073  -8.817  -6.806
  918    HB3  ASN 110           HB3      ASN 110   9.947  -8.935  -5.456
  919   HD21  ASN 110          HD21      ASN 110  11.830 -10.635  -7.633
  920   HD22  ASN 110          HD22      ASN 110  11.179 -12.212  -7.363
  921    H    THR 111           H        THR 111   6.800  -9.704  -7.717
  922    HA   THR 111           HA       THR 111   5.304  -8.095  -5.820
  923    HB   THR 111           HB       THR 111   3.675 -10.173  -6.868
  924    HG1  THR 111           HG1      THR 111   5.456  -9.009  -8.751
  925   HG21  THR 111          HG21      THR 111   3.006  -7.849  -6.301
  926   HG22  THR 111          HG22      THR 111   2.479  -8.345  -7.910
  927   HG23  THR 111          HG23      THR 111   3.874  -7.284  -7.727
  928    HA   PRO 112           HA       PRO 112   6.161 -11.148  -2.608
  929    HB2  PRO 112           HB2      PRO 112   4.060  -9.570  -1.230
  930    HB3  PRO 112           HB3      PRO 112   5.678 -10.026  -0.677
  931    HG2  PRO 112           HG2      PRO 112   5.197  -7.534  -1.431
  932    HG3  PRO 112           HG3      PRO 112   6.724  -8.334  -1.864
  933    HD2  PRO 112           HD2      PRO 112   4.324  -7.822  -3.567
  934    HD3  PRO 112           HD3      PRO 112   6.048  -7.702  -3.974
  935    H    THR 113           H        THR 113   5.182 -13.050  -2.117
  936    HA   THR 113           HA       THR 113   2.294 -13.317  -2.198
  937    HB   THR 113           HB       THR 113   3.477 -15.476  -3.752
  938    HG1  THR 113           HG1      THR 113   3.649 -14.020  -5.660
  939   HG21  THR 113          HG21      THR 113   1.070 -15.060  -3.549
  940   HG22  THR 113          HG22      THR 113   1.592 -14.985  -5.232
  941   HG23  THR 113          HG23      THR 113   1.272 -13.497  -4.342
  942    H    ALA 114           H        ALA 114   1.690 -14.586  -0.572
  943    HA   ALA 114           HA       ALA 114   3.545 -15.918   1.088
  944    HB1  ALA 114           HB1      ALA 114   1.596 -16.744   2.296
  945    HB2  ALA 114           HB2      ALA 114   0.548 -16.234   0.973
  946    HB3  ALA 114           HB3      ALA 114   1.424 -15.031   1.919
  947    H    ARG 115           H        ARG 115   3.398 -18.250   1.678
  948    HA   ARG 115           HA       ARG 115   3.542 -19.849  -0.738
  949    HB2  ARG 115           HB2      ARG 115   4.379 -21.623   0.843
  950    HB3  ARG 115           HB3      ARG 115   5.354 -20.163   0.778
  951    HG2  ARG 115           HG2      ARG 115   4.196 -19.380   2.840
  952    HG3  ARG 115           HG3      ARG 115   3.406 -20.955   2.930
  953    HD2  ARG 115           HD2      ARG 115   5.421 -20.787   4.358
  954    HD3  ARG 115           HD3      ARG 115   5.528 -22.063   3.148
  955    HE   ARG 115           HE       ARG 115   6.797 -19.438   2.734
  956   HH11  ARG 115          HH11      ARG 115   6.955 -22.918   2.863
  957   HH12  ARG 115          HH12      ARG 115   8.569 -22.997   2.244
  958   HH21  ARG 115          HH21      ARG 115   8.924 -19.533   1.916
  959   HH22  ARG 115          HH22      ARG 115   9.690 -21.072   1.706
  960    H    ARG 116           H        ARG 116   2.246 -21.552  -1.257
  961    HA   ARG 116           HA       ARG 116  -0.153 -21.919   0.415
  962    HB2  ARG 116           HB2      ARG 116   0.242 -22.031  -2.567
  963    HB3  ARG 116           HB3      ARG 116  -1.151 -22.779  -1.798
  964    HG2  ARG 116           HG2      ARG 116  -1.727 -20.577  -0.815
  965    HG3  ARG 116           HG3      ARG 116  -0.403 -19.866  -1.741
  966    HD2  ARG 116           HD2      ARG 116  -2.154 -21.496  -3.385
  967    HD3  ARG 116           HD3      ARG 116  -3.019 -20.185  -2.585
  968    HE   ARG 116           HE       ARG 116  -1.137 -19.954  -4.723
  969   HH11  ARG 116          HH11      ARG 116  -2.455 -18.322  -1.940
  970   HH12  ARG 116          HH12      ARG 116  -2.101 -16.736  -2.541
  971   HH21  ARG 116          HH21      ARG 116  -0.667 -17.871  -5.522
  972   HH22  ARG 116          HH22      ARG 116  -1.085 -16.479  -4.578
  973    H    ARG 117           H        ARG 117  -0.982 -24.016   0.701
  974    HA   ARG 117           HA       ARG 117   1.037 -26.065   0.775
  975    HB2  ARG 117           HB2      ARG 117  -1.886 -26.409   1.421
  976    HB3  ARG 117           HB3      ARG 117  -0.529 -27.353   2.017
  977    HG2  ARG 117           HG2      ARG 117   0.259 -25.449   3.302
  978    HG3  ARG 117           HG3      ARG 117  -1.064 -24.465   2.674
  979    HD2  ARG 117           HD2      ARG 117  -1.745 -27.030   4.006
  980    HD3  ARG 117           HD3      ARG 117  -1.211 -25.691   5.021
  981    HE   ARG 117           HE       ARG 117  -3.164 -24.716   3.292
  982   HH11  ARG 117          HH11      ARG 117  -2.895 -26.994   5.917
  983   HH12  ARG 117          HH12      ARG 117  -4.532 -26.779   6.441
  984   HH21  ARG 117          HH21      ARG 117  -5.319 -24.427   3.977
  985   HH22  ARG 117          HH22      ARG 117  -5.910 -25.320   5.337
  Start of MODEL   10
    1    H5'   DT   1           H5'       DT   1 -11.019   2.681   9.996
    2   H5''   DT   1          H5''       DT   1 -10.208   3.357  11.423
    3    H4'   DT   1           H4'       DT   1  -9.711   0.508  10.734
    4    H3'   DT   1           H3'       DT   1 -12.391   1.490  11.609
    5    H2'   DT   1           H2'       DT   1 -12.527  -0.194  13.313
    6   H2''   DT   1          H2''       DT   1 -11.208  -1.131  12.624
    7    H1'   DT   1           H1'       DT   1  -9.935   0.031  14.240
    8    H3    DT   1           H3        DT   1 -12.748   2.059  17.279
    9    H71   DT   1           H71       DT   1 -11.987   6.085  15.278
   10    H72   DT   1           H72       DT   1 -10.494   5.757  14.367
   11    H73   DT   1           H73       DT   1 -12.075   5.622  13.562
   12    H6    DT   1           H6        DT   1 -10.602   3.311  13.207
   13   HO5'   DT   1          HO5'       DT   1  -9.114   2.287   9.064
   14    H5'   DT   2           H5'       DT   2 -13.466   1.285   7.044
   15   H5''   DT   2          H5''       DT   2 -14.521  -0.119   6.780
   16    H4'   DT   2           H4'       DT   2 -13.190   0.155   4.842
   17    H3'   DT   2           H3'       DT   2 -12.402  -2.194   6.525
   18    H2'   DT   2           H2'       DT   2 -10.651  -2.717   4.957
   19   H2''   DT   2          H2''       DT   2 -11.289  -1.623   3.741
   20    H1'   DT   2           H1'       DT   2  -9.693  -0.140   4.739
   21    H3    DT   2           H3        DT   2  -8.884  -0.299   9.690
   22    H71   DT   2           H71       DT   2  -6.845  -4.209   8.229
   23    H72   DT   2           H72       DT   2  -7.406  -4.395   6.552
   24    H73   DT   2           H73       DT   2  -8.466  -4.865   7.901
   25    H6    DT   2           H6        DT   2  -8.909  -2.760   5.618
   26    H5'   DT   3           H5'       DT   3 -13.774  -5.291   1.745
   27   H5''   DT   3          H5''       DT   3 -12.482  -4.365   2.538
   28    H4'   DT   3           H4'       DT   3 -14.603  -3.416   0.633
   29    H3'   DT   3           H3'       DT   3 -11.963  -4.124   0.134
   30    H2'   DT   3           H2'       DT   3 -11.023  -2.214   1.276
   31   H2''   DT   3          H2''       DT   3 -11.191  -1.593  -0.360
   32    H1'   DT   3           H1'       DT   3 -13.499  -0.794   0.151
   33    H3    DT   3           H3        DT   3 -13.863   2.861   2.690
   34    H71   DT   3           H71       DT   3  -9.242   2.495   3.604
   35    H72   DT   3           H72       DT   3  -8.986   0.737   3.516
   36    H73   DT   3           H73       DT   3  -9.868   1.440   4.893
   37    H6    DT   3           H6        DT   3 -10.496  -0.474   2.195
   38    H5'   DT   4           H5'       DT   4 -14.561  -2.246  -3.188
   39   H5''   DT   4          H5''       DT   4 -14.290  -2.533  -4.919
   40    H4'   DT   4           H4'       DT   4 -13.453  -0.342  -3.847
   41    H3'   DT   4           H3'       DT   4 -12.230  -1.958  -5.952
   42    H2'   DT   4           H2'       DT   4 -10.014  -1.598  -5.339
   43   H2''   DT   4          H2''       DT   4 -10.318   0.135  -5.324
   44    H1'   DT   4           H1'       DT   4 -10.689   0.248  -3.059
   45    H3    DT   4           H3        DT   4  -6.308  -1.690  -2.880
   46    H71   DT   4           H71       DT   4  -8.829  -3.424   0.960
   47    H72   DT   4           H72       DT   4 -10.057  -4.277  -0.005
   48    H73   DT   4           H73       DT   4  -8.358  -4.805  -0.058
   49    H6    DT   4           H6        DT   4 -10.775  -2.557  -1.464
   50    H5'   DT   5           H5'       DT   5 -12.978  -1.237  -9.381
   51   H5''   DT   5          H5''       DT   5 -12.646  -2.601  -8.294
   52    H4'   DT   5           H4'       DT   5 -11.300  -1.759 -10.796
   53    H3'   DT   5           H3'       DT   5 -12.757  -3.950 -10.293
   54    H2'   DT   5           H2'       DT   5 -11.455  -4.900  -8.533
   55   H2''   DT   5          H2''       DT   5 -10.700  -5.674  -9.919
   56    H1'   DT   5           H1'       DT   5  -8.866  -4.171  -9.955
   57    H3    DT   5           H3        DT   5  -6.213  -4.697  -6.420
   58    H71   DT   5           H71       DT   5 -10.209  -2.982  -3.954
   59    H72   DT   5           H72       DT   5  -9.747  -4.629  -3.467
   60    H73   DT   5           H73       DT   5 -11.181  -4.374  -4.488
   61    H6    DT   5           H6        DT   5 -10.877  -3.825  -6.851
   62    H5'   DT   6           H5'       DT   6  -9.913  -5.508 -14.277
   63   H5''   DT   6          H5''       DT   6  -9.416  -7.159 -13.848
   64    H4'   DT   6           H4'       DT   6  -8.911  -4.688 -12.187
   65    H3'   DT   6           H3'       DT   6  -7.214  -5.964 -14.284
   66   HO3'   DT   6          HO3'       DT   6  -8.176  -3.603 -13.667
   67    H2'   DT   6           H2'       DT   6  -5.264  -5.830 -12.888
   68   H2''   DT   6          H2''       DT   6  -6.030  -4.712 -11.766
   69    H1'   DT   6           H1'       DT   6  -6.445  -6.721 -10.571
   70    H3    DT   6           H3        DT   6  -4.065 -10.255 -12.251
   71    H71   DT   6           H71       DT   6  -8.856  -9.995 -14.687
   72    H72   DT   6           H72       DT   6  -8.615 -11.454 -13.696
   73    H73   DT   6           H73       DT   6  -7.611 -11.184 -15.141
   74    H6    DT   6           H6        DT   6  -8.323  -8.295 -13.130
   75    H1   MET   1           H        MET   1  10.752  -2.378  15.406
   76    H1   MET   1           HT1      MET   1  10.422  -1.318  14.129
   77    H2   MET   1           H2       MET   1  10.971  -2.886  13.809
   78    HA   MET   1           HA       MET   1   8.967  -3.836  14.688
   79    HB2  MET   1           HB2      MET   1   8.239  -0.947  15.190
   80    HB3  MET   1           HB3      MET   1   7.079  -2.267  15.245
   81    HG2  MET   1           HG2      MET   1   9.132  -3.109  16.895
   82    HG3  MET   1           HG3      MET   1   8.980  -1.386  17.234
   83    HE1  MET   1           HE1      MET   1   8.539  -3.068  19.641
   84    HE2  MET   1           HE2      MET   1   8.141  -4.512  18.710
   85    HE3  MET   1           HE3      MET   1   6.983  -3.867  19.873
   86    H    GLU   2           H        GLU   2  10.219  -2.472  12.221
   87    HA   GLU   2           HA       GLU   2   7.760  -2.440  10.602
   88    HB2  GLU   2           HB2      GLU   2   9.283  -1.087   8.977
   89    HB3  GLU   2           HB3      GLU   2   8.546  -0.275  10.351
   90    HG2  GLU   2           HG2      GLU   2  11.095  -1.375  11.091
   91    HG3  GLU   2           HG3      GLU   2  11.250  -0.355   9.661
   92    H    GLU   3           H        GLU   3   7.589  -3.915   9.041
   93    HA   GLU   3           HA       GLU   3   9.882  -5.657   8.546
   94    HB2  GLU   3           HB2      GLU   3   8.366  -7.295   7.812
   95    HB3  GLU   3           HB3      GLU   3   7.575  -6.535   9.186
   96    HG2  GLU   3           HG2      GLU   3   6.496  -5.033   7.321
   97    HG3  GLU   3           HG3      GLU   3   6.895  -6.411   6.295
   98    H    LYS   4           H        LYS   4   9.949  -6.597   6.233
   99    HA   LYS   4           HA       LYS   4  10.098  -4.259   4.391
  100    HB2  LYS   4           HB2      LYS   4  11.397  -6.022   3.008
  101    HB3  LYS   4           HB3      LYS   4  12.167  -5.269   4.397
  102    HG2  LYS   4           HG2      LYS   4  10.706  -7.798   4.864
  103    HG3  LYS   4           HG3      LYS   4  12.223  -7.887   3.969
  104    HD2  LYS   4           HD2      LYS   4  12.266  -6.231   6.409
  105    HD3  LYS   4           HD3      LYS   4  12.051  -7.964   6.665
  106    HE2  LYS   4           HE2      LYS   4  14.054  -7.979   4.854
  107    HE3  LYS   4           HE3      LYS   4  14.392  -6.464   5.687
  108    HZ1  LYS   4           HZ1      LYS   4  14.079  -9.118   6.984
  109    HZ2  LYS   4           HZ2      LYS   4  14.404  -7.664   7.785
  110    HZ3  LYS   4           HZ3      LYS   4  15.545  -8.315   6.718
  111    H    VAL   5           H        VAL   5   9.770  -4.929   2.021
  112    HA   VAL   5           HA       VAL   5   7.047  -5.744   1.738
  113    HB   VAL   5           HB       VAL   5   9.131  -5.230  -0.392
  114   HG11  VAL   5          HG11      VAL   5   7.350  -6.504  -1.344
  115   HG12  VAL   5          HG12      VAL   5   7.137  -4.822  -1.837
  116   HG13  VAL   5          HG13      VAL   5   6.136  -5.498  -0.553
  117   HG21  VAL   5          HG21      VAL   5   7.022  -3.403   0.756
  118   HG22  VAL   5          HG22      VAL   5   8.109  -3.017  -0.578
  119   HG23  VAL   5          HG23      VAL   5   8.760  -3.287   1.040
  120    H    GLY   6           H        GLY   6  10.176  -7.242   1.118
  121    HA2  GLY   6           HA2      GLY   6   9.070  -9.531  -0.218
  122    HA3  GLY   6           HA3      GLY   6  10.730  -9.339   0.326
  123    H    ASN   7           H        ASN   7   8.754  -8.649   2.894
  124    HA   ASN   7           HA       ASN   7   8.714 -11.445   3.807
  125    HB2  ASN   7           HB2      ASN   7  10.542  -9.808   4.741
  126    HB3  ASN   7           HB3      ASN   7   9.217  -9.218   5.738
  127   HD21  ASN   7          HD21      ASN   7   9.635  -9.979   7.685
  128   HD22  ASN   7          HD22      ASN   7   9.953 -11.599   8.074
  129    H    LEU   8           H        LEU   8   6.847  -8.879   3.037
  130    HA   LEU   8           HA       LEU   8   5.046  -8.865   5.288
  131    HB2  LEU   8           HB2      LEU   8   3.997  -7.135   4.259
  132    HB3  LEU   8           HB3      LEU   8   5.529  -7.042   3.414
  133    HG   LEU   8           HG       LEU   8   4.167  -8.742   1.790
  134   HD11  LEU   8          HD11      LEU   8   2.005  -8.772   2.366
  135   HD12  LEU   8          HD12      LEU   8   1.957  -7.106   1.683
  136   HD13  LEU   8          HD13      LEU   8   2.204  -7.353   3.432
  137   HD21  LEU   8          HD21      LEU   8   5.385  -6.886   0.957
  138   HD22  LEU   8          HD22      LEU   8   4.305  -5.741   1.755
  139   HD23  LEU   8          HD23      LEU   8   3.719  -6.708   0.402
  140    H    LYS   9           H        LYS   9   2.847  -9.647   5.246
  141    HA   LYS   9           HA       LYS   9   2.162 -11.549   3.210
  142    HB2  LYS   9           HB2      LYS   9   1.550 -13.081   4.734
  143    HB3  LYS   9           HB3      LYS   9   3.117 -12.605   5.161
  144    HG2  LYS   9           HG2      LYS   9   2.401 -12.089   7.236
  145    HG3  LYS   9           HG3      LYS   9   1.167 -11.069   6.538
  146    HD2  LYS   9           HD2      LYS   9  -0.229 -12.555   7.549
  147    HD3  LYS   9           HD3      LYS   9   0.061 -13.469   6.067
  148    HE2  LYS   9           HE2      LYS   9   0.787 -15.127   7.366
  149    HE3  LYS   9           HE3      LYS   9   2.199 -14.128   7.702
  150    HZ1  LYS   9           HZ1      LYS   9   1.041 -13.206   9.615
  151    HZ2  LYS   9           HZ2      LYS   9   1.160 -14.888   9.738
  152    HZ3  LYS   9           HZ3      LYS   9  -0.308 -14.175   9.293
  153    HA   PRO  10           HA       PRO  10  -1.743  -9.492   3.363
  154    HB2  PRO  10           HB2      PRO  10  -3.396 -11.352   2.346
  155    HB3  PRO  10           HB3      PRO  10  -2.187 -10.535   1.386
  156    HG2  PRO  10           HG2      PRO  10  -2.112 -13.260   2.597
  157    HG3  PRO  10           HG3      PRO  10  -1.541 -12.749   0.997
  158    HD2  PRO  10           HD2      PRO  10   0.184 -13.063   3.143
  159    HD3  PRO  10           HD3      PRO  10   0.452 -12.006   1.793
  160    H    ASN  11           H        ASN  11  -3.935  -9.621   4.212
  161    HA   ASN  11           HA       ASN  11  -5.533 -10.092   5.794
  162    HB2  ASN  11           HB2      ASN  11  -4.149 -12.671   5.520
  163    HB3  ASN  11           HB3      ASN  11  -4.954 -12.442   7.070
  164   HD21  ASN  11          HD21      ASN  11  -5.405 -12.466   3.588
  165   HD22  ASN  11          HD22      ASN  11  -7.119 -12.817   3.629
  166    H    MET  12           H        MET  12  -2.916  -8.741   6.449
  167    HA   MET  12           HA       MET  12  -2.852  -9.233   9.300
  168    HB2  MET  12           HB2      MET  12  -0.925  -7.824   7.453
  169    HB3  MET  12           HB3      MET  12  -0.774  -7.911   9.154
  170    HG2  MET  12           HG2      MET  12  -1.053 -10.529   8.557
  171    HG3  MET  12           HG3      MET  12  -0.223  -9.885   7.151
  172    HE1  MET  12           HE1      MET  12   2.198  -9.096   7.053
  173    HE2  MET  12           HE2      MET  12   3.170  -8.692   8.486
  174    HE3  MET  12           HE3      MET  12   1.750  -7.728   8.080
  175    H    GLU  13           H        GLU  13  -3.763  -7.821  10.641
  176    HA   GLU  13           HA       GLU  13  -4.903  -5.384   9.583
  177    HB2  GLU  13           HB2      GLU  13  -5.003  -5.921  12.495
  178    HB3  GLU  13           HB3      GLU  13  -6.271  -5.379  11.406
  179    HG2  GLU  13           HG2      GLU  13  -6.013  -7.849  10.482
  180    HG3  GLU  13           HG3      GLU  13  -5.424  -8.126  12.119
  181    H    SER  14           H        SER  14  -1.904  -5.921  10.136
  182    HA   SER  14           HA       SER  14  -1.326  -3.229  10.976
  183    HB2  SER  14           HB2      SER  14   0.349  -4.181  12.740
  184    HB3  SER  14           HB3      SER  14  -1.348  -4.000  13.178
  185    HG   SER  14           HG       SER  14  -0.087  -6.386  12.302
  186    H    VAL  15           H        VAL  15   0.115  -2.606   9.509
  187    HA   VAL  15           HA       VAL  15   2.388  -4.361   8.925
  188    HB   VAL  15           HB       VAL  15   1.353  -2.892   6.583
  189   HG11  VAL  15          HG11      VAL  15   2.071  -4.932   5.431
  190   HG12  VAL  15          HG12      VAL  15   2.426  -5.680   6.987
  191   HG13  VAL  15          HG13      VAL  15   3.347  -4.274   6.456
  192   HG21  VAL  15          HG21      VAL  15  -0.532  -4.082   6.158
  193   HG22  VAL  15          HG22      VAL  15  -0.599  -4.132   7.921
  194   HG23  VAL  15          HG23      VAL  15   0.041  -5.509   7.021
  195    H    ASN  16           H        ASN  16   4.085  -3.225   9.535
  196    HA   ASN  16           HA       ASN  16   4.205  -0.341   8.985
  197    HB2  ASN  16           HB2      ASN  16   4.772  -1.806  11.279
  198    HB3  ASN  16           HB3      ASN  16   6.302  -1.244  10.641
  199   HD21  ASN  16          HD21      ASN  16   5.960   1.138   9.738
  200   HD22  ASN  16          HD22      ASN  16   5.293   2.208  10.943
  201    H    VAL  17           H        VAL  17   5.598   0.387   7.464
  202    HA   VAL  17           HA       VAL  17   8.020  -1.075   6.877
  203    HB   VAL  17           HB       VAL  17   6.672  -2.467   5.623
  204   HG11  VAL  17          HG11      VAL  17   4.722  -0.749   5.779
  205   HG12  VAL  17          HG12      VAL  17   4.753  -1.936   4.452
  206   HG13  VAL  17          HG13      VAL  17   5.275  -0.279   4.155
  207   HG21  VAL  17          HG21      VAL  17   8.569  -1.810   4.291
  208   HG22  VAL  17          HG22      VAL  17   7.745  -0.343   3.769
  209   HG23  VAL  17          HG23      VAL  17   7.176  -1.916   3.213
  210    H    THR  18           H        THR  18   9.434   0.014   5.462
  211    HA   THR  18           HA       THR  18   8.744   2.821   4.904
  212    HB   THR  18           HB       THR  18  11.612   2.160   5.033
  213    HG1  THR  18           HG1      THR  18  11.515   2.253   7.403
  214   HG21  THR  18          HG21      THR  18   9.828   4.411   5.489
  215   HG22  THR  18          HG22      THR  18  11.548   4.398   5.048
  216   HG23  THR  18          HG23      THR  18  11.056   4.259   6.748
  217    H    VAL  19           H        VAL  19   8.963   3.450   2.761
  218    HA   VAL  19           HA       VAL  19  10.531   1.943   0.952
  219    HB   VAL  19           HB       VAL  19   8.702   1.521  -0.656
  220   HG11  VAL  19          HG11      VAL  19   9.372  -0.289   0.662
  221   HG12  VAL  19          HG12      VAL  19   7.595  -0.239   0.499
  222   HG13  VAL  19          HG13      VAL  19   8.402   0.328   2.044
  223   HG21  VAL  19          HG21      VAL  19   7.094   3.166  -0.016
  224   HG22  VAL  19          HG22      VAL  19   6.969   2.494   1.610
  225   HG23  VAL  19          HG23      VAL  19   6.357   1.581   0.231
  226    H    ARG  20           H        ARG  20   9.958   2.857  -1.383
  227    HA   ARG  20           HA       ARG  20   9.784   5.735  -1.146
  228    HB2  ARG  20           HB2      ARG  20  12.006   4.687  -1.798
  229    HB3  ARG  20           HB3      ARG  20  11.281   4.276  -3.318
  230    HG2  ARG  20           HG2      ARG  20  12.028   6.314  -3.998
  231    HG3  ARG  20           HG3      ARG  20  10.737   6.995  -3.003
  232    HD2  ARG  20           HD2      ARG  20  12.229   7.148  -1.110
  233    HD3  ARG  20           HD3      ARG  20  13.514   6.356  -2.018
  234    HE   ARG  20           HE       ARG  20  12.452   9.042  -2.599
  235   HH11  ARG  20          HH11      ARG  20  15.016   6.679  -2.698
  236   HH12  ARG  20          HH12      ARG  20  16.177   7.779  -3.361
  237   HH21  ARG  20          HH21      ARG  20  13.976  10.494  -3.475
  238   HH22  ARG  20          HH22      ARG  20  15.586   9.947  -3.803
  239    H    VAL  21           H        VAL  21   8.741   6.909  -2.875
  240    HA   VAL  21           HA       VAL  21   6.431   5.474  -3.884
  241    HB   VAL  21           HB       VAL  21   7.382   8.303  -4.665
  242   HG11  VAL  21          HG11      VAL  21   5.007   8.672  -5.099
  243   HG12  VAL  21          HG12      VAL  21   4.697   6.972  -4.746
  244   HG13  VAL  21          HG13      VAL  21   5.690   7.417  -6.134
  245   HG21  VAL  21          HG21      VAL  21   5.969   9.123  -2.880
  246   HG22  VAL  21          HG22      VAL  21   7.261   8.105  -2.245
  247   HG23  VAL  21          HG23      VAL  21   5.624   7.466  -2.386
  248    H    LEU  22           H        LEU  22   6.239   4.500  -5.778
  249    HA   LEU  22           HA       LEU  22   8.316   4.798  -7.809
  250    HB2  LEU  22           HB2      LEU  22   6.288   2.585  -7.587
  251    HB3  LEU  22           HB3      LEU  22   7.729   2.619  -8.558
  252    HG   LEU  22           HG       LEU  22   7.591   2.383  -5.569
  253   HD11  LEU  22          HD11      LEU  22   8.778   0.492  -7.578
  254   HD12  LEU  22          HD12      LEU  22   7.130   0.356  -6.966
  255   HD13  LEU  22          HD13      LEU  22   8.496   0.213  -5.859
  256   HD21  LEU  22          HD21      LEU  22  10.088   2.448  -7.245
  257   HD22  LEU  22          HD22      LEU  22   9.948   2.399  -5.488
  258   HD23  LEU  22          HD23      LEU  22   9.465   3.845  -6.363
  259    H    GLU  23           H        GLU  23   4.999   5.194  -7.095
  260    HA   GLU  23           HA       GLU  23   4.565   6.695  -9.554
  261    HB2  GLU  23           HB2      GLU  23   4.201   4.132 -10.012
  262    HB3  GLU  23           HB3      GLU  23   2.673   4.403  -9.185
  263    HG2  GLU  23           HG2      GLU  23   1.860   4.986 -11.166
  264    HG3  GLU  23           HG3      GLU  23   2.786   6.475 -10.995
  265    H    ALA  24           H        ALA  24   2.260   7.537  -9.636
  266    HA   ALA  24           HA       ALA  24   0.722   7.452  -7.219
  267    HB1  ALA  24           HB1      ALA  24   2.190  10.008  -7.880
  268    HB2  ALA  24           HB2      ALA  24   2.514   8.952  -6.504
  269    HB3  ALA  24           HB3      ALA  24   0.977   9.810  -6.616
  270    H    SER  25           H        SER  25  -1.343   7.751  -7.732
  271    HA   SER  25           HA       SER  25  -1.956   9.177 -10.244
  272    HB2  SER  25           HB2      SER  25  -2.538   6.574  -9.695
  273    HB3  SER  25           HB3      SER  25  -4.014   7.366  -9.144
  274    HG   SER  25           HG       SER  25  -3.588   6.713 -11.542
  275    H    GLU  26           H        GLU  26  -3.860  10.495 -10.294
  276    HA   GLU  26           HA       GLU  26  -4.227  12.054  -7.982
  277    HB2  GLU  26           HB2      GLU  26  -6.074  11.960 -10.366
  278    HB3  GLU  26           HB3      GLU  26  -5.805  13.289  -9.264
  279    HG2  GLU  26           HG2      GLU  26  -3.669  12.201 -11.055
  280    HG3  GLU  26           HG3      GLU  26  -4.740  13.526 -11.511
  281    H    ALA  27           H        ALA  27  -6.117  12.389  -6.781
  282    HA   ALA  27           HA       ALA  27  -7.260   9.923  -5.939
  283    HB1  ALA  27           HB1      ALA  27  -8.137  11.245  -4.109
  284    HB2  ALA  27           HB2      ALA  27  -7.701  12.729  -4.960
  285    HB3  ALA  27           HB3      ALA  27  -6.419  11.613  -4.416
  286    H    ARG  28           H        ARG  28  -9.094   9.030  -6.425
  287    HA   ARG  28           HA       ARG  28 -11.186  10.578  -7.805
  288    HB2  ARG  28           HB2      ARG  28 -10.264   9.429  -9.588
  289    HB3  ARG  28           HB3      ARG  28  -9.786   8.061  -8.600
  290    HG2  ARG  28           HG2      ARG  28 -12.554   8.005  -8.525
  291    HG3  ARG  28           HG3      ARG  28 -12.174   8.469 -10.184
  292    HD2  ARG  28           HD2      ARG  28 -10.843   6.521 -10.506
  293    HD3  ARG  28           HD3      ARG  28 -10.889   6.129  -8.788
  294    HE   ARG  28           HE       ARG  28 -13.453   6.191 -10.147
  295   HH11  ARG  28          HH11      ARG  28 -10.774   4.244  -9.042
  296   HH12  ARG  28          HH12      ARG  28 -11.684   2.770  -9.038
  297   HH21  ARG  28          HH21      ARG  28 -14.650   4.249 -10.141
  298   HH22  ARG  28          HH22      ARG  28 -13.880   2.772  -9.662
  299    H    GLN  29           H        GLN  29 -13.326   9.602  -7.720
  300    HA   GLN  29           HA       GLN  29 -13.898   8.465  -5.117
  301    HB2  GLN  29           HB2      GLN  29 -15.624   9.598  -7.313
  302    HB3  GLN  29           HB3      GLN  29 -16.295   8.841  -5.875
  303    HG2  GLN  29           HG2      GLN  29 -15.144  10.487  -4.492
  304    HG3  GLN  29           HG3      GLN  29 -14.520  11.265  -5.945
  305   HE21  GLN  29          HE21      GLN  29 -17.372  10.615  -4.040
  306   HE22  GLN  29          HE22      GLN  29 -18.372  11.825  -4.761
  307    H    ILE  30           H        ILE  30 -14.720   6.478  -4.732
  308    HA   ILE  30           HA       ILE  30 -15.277   4.755  -7.056
  309    HB   ILE  30           HB       ILE  30 -14.330   2.869  -5.965
  310   HG12  ILE  30          HG12      ILE  30 -13.671   4.476  -3.519
  311   HG13  ILE  30          HG13      ILE  30 -15.245   3.700  -3.696
  312   HG21  ILE  30          HG21      ILE  30 -12.584   5.303  -5.705
  313   HG22  ILE  30          HG22      ILE  30 -12.568   4.064  -6.962
  314   HG23  ILE  30          HG23      ILE  30 -11.979   3.681  -5.339
  315   HD11  ILE  30          HD11      ILE  30 -14.254   1.544  -3.764
  316   HD12  ILE  30          HD12      ILE  30 -13.527   2.403  -2.406
  317   HD13  ILE  30          HD13      ILE  30 -12.634   2.222  -3.917
  318    H    GLN  31           H        GLN  31 -16.806   2.993  -6.551
  319    HA   GLN  31           HA       GLN  31 -18.792   3.838  -4.557
  320    HB2  GLN  31           HB2      GLN  31 -19.136   2.517  -7.244
  321    HB3  GLN  31           HB3      GLN  31 -20.422   2.562  -6.047
  322    HG2  GLN  31           HG2      GLN  31 -20.424   4.981  -6.096
  323    HG3  GLN  31           HG3      GLN  31 -19.070   4.979  -7.225
  324   HE21  GLN  31          HE21      GLN  31 -19.415   4.363  -9.363
  325   HE22  GLN  31          HE22      GLN  31 -20.996   4.292 -10.054
  326    H    THR  32           H        THR  32 -18.840   2.563  -2.842
  327    HA   THR  32           HA       THR  32 -18.231  -0.303  -3.172
  328    HB   THR  32           HB       THR  32 -17.644  -0.378  -0.825
  329    HG1  THR  32           HG1      THR  32 -18.154   1.203   0.490
  330   HG21  THR  32          HG21      THR  32 -16.335   1.597  -2.621
  331   HG22  THR  32          HG22      THR  32 -15.732   0.058  -2.018
  332   HG23  THR  32          HG23      THR  32 -15.762   1.474  -0.956
  333    H    LYS  33           H        LYS  33 -19.190  -1.368  -0.933
  334    HA   LYS  33           HA       LYS  33 -22.028  -1.370  -1.415
  335    HB2  LYS  33           HB2      LYS  33 -22.067  -3.257   0.155
  336    HB3  LYS  33           HB3      LYS  33 -20.834  -3.476  -1.080
  337    HG2  LYS  33           HG2      LYS  33 -19.092  -2.921   0.440
  338    HG3  LYS  33           HG3      LYS  33 -20.249  -2.395   1.662
  339    HD2  LYS  33           HD2      LYS  33 -21.116  -4.736   1.742
  340    HD3  LYS  33           HD3      LYS  33 -19.798  -5.205   0.664
  341    HE2  LYS  33           HE2      LYS  33 -18.167  -4.449   2.306
  342    HE3  LYS  33           HE3      LYS  33 -19.467  -3.924   3.375
  343    HZ1  LYS  33           HZ1      LYS  33 -18.904  -6.717   2.536
  344    HZ2  LYS  33           HZ2      LYS  33 -20.214  -6.241   3.495
  345    HZ3  LYS  33           HZ3      LYS  33 -18.634  -6.055   4.070
  346    H    ASN  34           H        ASN  34 -19.967   0.392   0.503
  347    HA   ASN  34           HA       ASN  34 -22.023   0.838   2.574
  348    HB2  ASN  34           HB2      ASN  34 -19.033   1.284   2.670
  349    HB3  ASN  34           HB3      ASN  34 -20.145   1.814   3.927
  350   HD21  ASN  34          HD21      ASN  34 -21.205   0.266   5.192
  351   HD22  ASN  34          HD22      ASN  34 -20.615  -1.353   5.321
  352    H    GLY  35           H        GLY  35 -21.221   2.064  -0.250
  353    HA2  GLY  35           HA2      GLY  35 -22.382   4.197  -0.758
  354    HA3  GLY  35           HA3      GLY  35 -21.577   4.861   0.656
  355    H    VAL  36           H        VAL  36 -20.674   6.530  -0.643
  356    HA   VAL  36           HA       VAL  36 -18.606   5.579  -2.495
  357    HB   VAL  36           HB       VAL  36 -20.251   6.960  -3.600
  358   HG11  VAL  36          HG11      VAL  36 -20.564   9.314  -3.059
  359   HG12  VAL  36          HG12      VAL  36 -19.454   9.164  -1.696
  360   HG13  VAL  36          HG13      VAL  36 -20.990   8.298  -1.681
  361   HG21  VAL  36          HG21      VAL  36 -17.638   8.426  -3.303
  362   HG22  VAL  36          HG22      VAL  36 -18.772   8.568  -4.647
  363   HG23  VAL  36          HG23      VAL  36 -17.933   7.043  -4.356
  364    H    ARG  37           H        ARG  37 -16.567   6.179  -2.348
  365    HA   ARG  37           HA       ARG  37 -15.634   7.964  -0.215
  366    HB2  ARG  37           HB2      ARG  37 -13.889   6.367   0.208
  367    HB3  ARG  37           HB3      ARG  37 -15.443   6.013   0.883
  368    HG2  ARG  37           HG2      ARG  37 -14.720   4.797  -1.738
  369    HG3  ARG  37           HG3      ARG  37 -14.095   4.091  -0.251
  370    HD2  ARG  37           HD2      ARG  37 -16.984   4.749  -0.433
  371    HD3  ARG  37           HD3      ARG  37 -16.385   3.308  -1.247
  372    HE   ARG  37           HE       ARG  37 -15.607   2.527   0.940
  373   HH11  ARG  37          HH11      ARG  37 -18.000   5.078   0.878
  374   HH12  ARG  37          HH12      ARG  37 -18.560   4.761   2.484
  375   HH21  ARG  37          HH21      ARG  37 -16.334   2.130   3.059
  376   HH22  ARG  37          HH22      ARG  37 -17.618   3.088   3.720
  377    H    THR  38           H        THR  38 -13.228   8.354  -0.447
  378    HA   THR  38           HA       THR  38 -12.693   8.725  -3.324
  379    HB   THR  38           HB       THR  38 -11.329  10.758  -2.408
  380    HG1  THR  38           HG1      THR  38 -11.742  11.301  -0.417
  381   HG21  THR  38          HG21      THR  38 -14.332  10.854  -2.636
  382   HG22  THR  38          HG22      THR  38 -13.186  10.961  -3.974
  383   HG23  THR  38          HG23      THR  38 -13.246  12.239  -2.760
  384    H    ILE  39           H        ILE  39 -11.167   7.344  -3.783
  385    HA   ILE  39           HA       ILE  39  -8.838   7.266  -1.993
  386    HB   ILE  39           HB       ILE  39  -8.615   4.870  -2.550
  387   HG12  ILE  39          HG12      ILE  39 -11.443   4.715  -3.338
  388   HG13  ILE  39          HG13      ILE  39 -10.375   5.406  -4.561
  389   HG21  ILE  39          HG21      ILE  39  -9.649   4.574  -0.616
  390   HG22  ILE  39          HG22      ILE  39 -11.216   4.713  -1.412
  391   HG23  ILE  39          HG23      ILE  39 -10.409   6.150  -0.801
  392   HD11  ILE  39          HD11      ILE  39  -8.940   3.259  -3.837
  393   HD12  ILE  39          HD12      ILE  39 -10.154   3.228  -5.112
  394   HD13  ILE  39          HD13      ILE  39 -10.564   2.670  -3.490
  395    H    SER  40           H        SER  40  -7.027   6.037  -3.154
  396    HA   SER  40           HA       SER  40  -6.922   6.413  -6.008
  397    HB2  SER  40           HB2      SER  40  -6.319   8.647  -4.959
  398    HB3  SER  40           HB3      SER  40  -4.878   7.842  -4.312
  399    HG   SER  40           HG       SER  40  -5.326   8.791  -6.784
  400    H    GLU  41           H        GLU  41  -4.749   5.718  -6.838
  401    HA   GLU  41           HA       GLU  41  -3.628   3.685  -5.070
  402    HB2  GLU  41           HB2      GLU  41  -5.243   3.075  -7.064
  403    HB3  GLU  41           HB3      GLU  41  -3.791   3.302  -8.019
  404    HG2  GLU  41           HG2      GLU  41  -3.474   1.589  -5.656
  405    HG3  GLU  41           HG3      GLU  41  -4.564   0.964  -6.891
  406    H    ALA  42           H        ALA  42  -1.471   3.571  -4.971
  407    HA   ALA  42           HA       ALA  42   0.177   5.009  -6.934
  408    HB1  ALA  42           HB1      ALA  42  -0.312   6.576  -5.110
  409    HB2  ALA  42           HB2      ALA  42   1.399   6.160  -5.194
  410    HB3  ALA  42           HB3      ALA  42   0.372   5.433  -3.956
  411    H    ILE  43           H        ILE  43   1.897   3.845  -7.485
  412    HA   ILE  43           HA       ILE  43   2.445   1.362  -6.135
  413    HB   ILE  43           HB       ILE  43   3.938   2.609  -8.447
  414   HG12  ILE  43          HG12      ILE  43   1.639   2.377  -9.108
  415   HG13  ILE  43          HG13      ILE  43   2.543   1.062  -9.846
  416   HG21  ILE  43          HG21      ILE  43   4.775   0.420  -8.903
  417   HG22  ILE  43          HG22      ILE  43   3.759  -0.290  -7.648
  418   HG23  ILE  43          HG23      ILE  43   5.092   0.777  -7.205
  419   HD11  ILE  43          HD11      ILE  43   1.761  -0.404  -7.973
  420   HD12  ILE  43          HD12      ILE  43   0.496   0.174  -9.059
  421   HD13  ILE  43          HD13      ILE  43   0.706   0.921  -7.475
  422    H    VAL  44           H        VAL  44   4.006   0.950  -4.753
  423    HA   VAL  44           HA       VAL  44   6.311   2.723  -4.401
  424    HB   VAL  44           HB       VAL  44   6.061   2.141  -1.815
  425   HG11  VAL  44          HG11      VAL  44   4.786   4.202  -3.441
  426   HG12  VAL  44          HG12      VAL  44   5.160   4.286  -1.714
  427   HG13  VAL  44          HG13      VAL  44   3.594   3.627  -2.260
  428   HG21  VAL  44          HG21      VAL  44   4.331   0.471  -2.422
  429   HG22  VAL  44          HG22      VAL  44   3.297   1.845  -2.822
  430   HG23  VAL  44          HG23      VAL  44   3.882   1.639  -1.176
  431    H    GLY  45           H        GLY  45   7.890   1.603  -2.964
  432    HA2  GLY  45           HA2      GLY  45   7.896  -1.031  -2.273
  433    HA3  GLY  45           HA3      GLY  45   8.487  -1.045  -3.927
  434    H    ASP  46           H        ASP  46  10.114  -2.040  -2.067
  435    HA   ASP  46           HA       ASP  46  12.178   0.040  -1.784
  436    HB2  ASP  46           HB2      ASP  46  12.921  -1.104   0.301
  437    HB3  ASP  46           HB3      ASP  46  11.310  -0.410   0.431
  438    H    GLU  47           H        GLU  47  14.203  -1.602  -0.852
  439    HA   GLU  47           HA       GLU  47  15.037  -2.858  -3.273
  440    HB2  GLU  47           HB2      GLU  47  17.067  -3.492  -1.878
  441    HB3  GLU  47           HB3      GLU  47  16.745  -1.774  -2.062
  442    HG2  GLU  47           HG2      GLU  47  16.502  -1.486   0.130
  443    HG3  GLU  47           HG3      GLU  47  15.446  -2.890   0.278
  444    H    THR  48           H        THR  48  12.974  -3.948  -0.958
  445    HA   THR  48           HA       THR  48  13.930  -6.724  -1.119
  446    HB   THR  48           HB       THR  48  12.725  -7.199   0.812
  447    HG1  THR  48           HG1      THR  48  10.900  -5.638  -0.203
  448   HG21  THR  48          HG21      THR  48  14.599  -5.451   1.051
  449   HG22  THR  48          HG22      THR  48  13.505  -5.694   2.412
  450   HG23  THR  48          HG23      THR  48  13.291  -4.305   1.345
  451    H    GLY  49           H        GLY  49  11.966  -4.790  -2.894
  452    HA2  GLY  49           HA2      GLY  49  10.856  -6.432  -4.587
  453    HA3  GLY  49           HA3      GLY  49   9.825  -6.754  -3.204
  454    H    ARG  50           H        ARG  50   7.978  -5.999  -4.181
  455    HA   ARG  50           HA       ARG  50   7.605  -3.165  -4.128
  456    HB2  ARG  50           HB2      ARG  50   8.449  -3.429  -6.388
  457    HB3  ARG  50           HB3      ARG  50   7.308  -4.736  -6.689
  458    HG2  ARG  50           HG2      ARG  50   5.565  -2.883  -6.023
  459    HG3  ARG  50           HG3      ARG  50   6.864  -1.820  -6.559
  460    HD2  ARG  50           HD2      ARG  50   5.985  -4.148  -8.229
  461    HD3  ARG  50           HD3      ARG  50   5.090  -2.634  -8.263
  462    HE   ARG  50           HE       ARG  50   7.963  -2.598  -8.795
  463   HH11  ARG  50          HH11      ARG  50   4.693  -2.194  -9.932
  464   HH12  ARG  50          HH12      ARG  50   5.166  -1.431 -11.413
  465   HH21  ARG  50          HH21      ARG  50   8.595  -1.591 -10.736
  466   HH22  ARG  50          HH22      ARG  50   7.386  -1.090 -11.871
  467    H    VAL  51           H        VAL  51   5.521  -2.644  -3.834
  468    HA   VAL  51           HA       VAL  51   3.420  -4.614  -4.081
  469    HB   VAL  51           HB       VAL  51   4.181  -5.088  -1.856
  470   HG11  VAL  51          HG11      VAL  51   3.922  -2.133  -1.295
  471   HG12  VAL  51          HG12      VAL  51   5.432  -3.036  -1.427
  472   HG13  VAL  51          HG13      VAL  51   4.313  -3.377  -0.107
  473   HG21  VAL  51          HG21      VAL  51   1.730  -3.361  -1.831
  474   HG22  VAL  51          HG22      VAL  51   2.188  -4.472  -0.540
  475   HG23  VAL  51          HG23      VAL  51   1.799  -5.092  -2.147
  476    H    LYS  52           H        LYS  52   1.530  -3.715  -4.678
  477    HA   LYS  52           HA       LYS  52   1.338  -0.973  -5.301
  478    HB2  LYS  52           HB2      LYS  52  -1.082  -2.719  -5.006
  479    HB3  LYS  52           HB3      LYS  52  -0.766  -1.466  -6.196
  480    HG2  LYS  52           HG2      LYS  52   1.205  -3.514  -6.468
  481    HG3  LYS  52           HG3      LYS  52  -0.394  -4.255  -6.447
  482    HD2  LYS  52           HD2      LYS  52  -1.113  -2.968  -8.303
  483    HD3  LYS  52           HD3      LYS  52   0.285  -1.899  -8.194
  484    HE2  LYS  52           HE2      LYS  52   0.548  -3.447 -10.049
  485    HE3  LYS  52           HE3      LYS  52   1.756  -3.778  -8.806
  486    HZ1  LYS  52           HZ1      LYS  52   0.393  -5.612  -8.022
  487    HZ2  LYS  52           HZ2      LYS  52   0.756  -5.813  -9.662
  488    HZ3  LYS  52           HZ3      LYS  52  -0.781  -5.283  -9.196
  489    H    LEU  53           H        LEU  53   0.593   0.753  -4.175
  490    HA   LEU  53           HA       LEU  53  -0.483   0.275  -1.484
  491    HB2  LEU  53           HB2      LEU  53   1.652   1.639  -1.879
  492    HB3  LEU  53           HB3      LEU  53   0.605   2.885  -2.521
  493    HG   LEU  53           HG       LEU  53   1.378   3.135  -0.109
  494   HD11  LEU  53          HD11      LEU  53  -0.454   4.456  -1.026
  495   HD12  LEU  53          HD12      LEU  53  -0.749   4.028   0.659
  496   HD13  LEU  53          HD13      LEU  53  -1.590   3.165  -0.629
  497   HD21  LEU  53          HD21      LEU  53   0.169   1.926   1.592
  498   HD22  LEU  53          HD22      LEU  53   1.034   0.799   0.547
  499   HD23  LEU  53          HD23      LEU  53  -0.706   1.016   0.363
  500    H    THR  54           H        THR  54  -2.396   1.068  -0.878
  501    HA   THR  54           HA       THR  54  -3.996   2.604  -2.776
  502    HB   THR  54           HB       THR  54  -5.328   0.640  -0.946
  503    HG1  THR  54           HG1      THR  54  -4.034   0.119  -3.430
  504   HG21  THR  54          HG21      THR  54  -6.138   1.370  -3.720
  505   HG22  THR  54          HG22      THR  54  -6.333   2.557  -2.436
  506   HG23  THR  54          HG23      THR  54  -7.142   0.998  -2.321
  507    H    LEU  55           H        LEU  55  -4.202   4.489  -1.888
  508    HA   LEU  55           HA       LEU  55  -4.270   4.965   0.932
  509    HB2  LEU  55           HB2      LEU  55  -4.952   6.973  -1.139
  510    HB3  LEU  55           HB3      LEU  55  -4.060   7.186   0.334
  511    HG   LEU  55           HG       LEU  55  -2.612   5.396  -1.349
  512   HD11  LEU  55          HD11      LEU  55  -2.135   7.502  -2.946
  513   HD12  LEU  55          HD12      LEU  55  -3.862   7.666  -2.665
  514   HD13  LEU  55          HD13      LEU  55  -3.230   6.178  -3.347
  515   HD21  LEU  55          HD21      LEU  55  -1.699   6.795   0.471
  516   HD22  LEU  55          HD22      LEU  55  -1.969   8.217  -0.540
  517   HD23  LEU  55          HD23      LEU  55  -0.835   6.969  -1.056
  518    H    TRP  56           H        TRP  56  -6.057   6.090   2.002
  519    HA   TRP  56           HA       TRP  56  -8.635   5.673   0.666
  520    HB2  TRP  56           HB2      TRP  56  -7.733   4.659   3.320
  521    HB3  TRP  56           HB3      TRP  56  -9.443   4.937   3.032
  522    HD1  TRP  56           HD1      TRP  56  -6.597   2.560   2.175
  523    HE1  TRP  56           HE1      TRP  56  -7.479   0.612   0.769
  524    HE3  TRP  56           HE3      TRP  56 -11.366   4.277   1.294
  525    HZ2  TRP  56           HZ2      TRP  56  -9.912  -0.118  -0.506
  526    HZ3  TRP  56           HZ3      TRP  56 -12.874   2.877  -0.034
  527    HH2  TRP  56           HH2      TRP  56 -12.170   0.736  -0.915
  528    H    GLY  57           H        GLY  57  -9.892   7.294   0.625
  529    HA2  GLY  57           HA2      GLY  57 -11.013   9.201   1.059
  530    HA3  GLY  57           HA3      GLY  57 -10.591   9.010   2.731
  531    H    LYS  58           H        LYS  58  -8.800  10.239   3.562
  532    HA   LYS  58           HA       LYS  58  -8.176  12.549   1.935
  533    HB2  LYS  58           HB2      LYS  58  -6.795  13.129   4.112
  534    HB3  LYS  58           HB3      LYS  58  -8.538  13.321   4.047
  535    HG2  LYS  58           HG2      LYS  58  -8.099  12.293   6.102
  536    HG3  LYS  58           HG3      LYS  58  -8.682  10.996   5.059
  537    HD2  LYS  58           HD2      LYS  58  -6.038  10.844   4.573
  538    HD3  LYS  58           HD3      LYS  58  -6.012  11.440   6.234
  539    HE2  LYS  58           HE2      LYS  58  -7.712   9.107   5.431
  540    HE3  LYS  58           HE3      LYS  58  -6.006   8.909   5.836
  541    HZ1  LYS  58           HZ1      LYS  58  -7.377   8.526   7.771
  542    HZ2  LYS  58           HZ2      LYS  58  -8.120  10.035   7.601
  543    HZ3  LYS  58           HZ3      LYS  58  -6.479   9.943   8.001
  544    H    HIS  59           H        HIS  59  -6.535   9.628   2.832
  545    HA   HIS  59           HA       HIS  59  -3.888  10.510   2.291
  546    HB2  HIS  59           HB2      HIS  59  -5.220   7.829   2.568
  547    HB3  HIS  59           HB3      HIS  59  -3.577   7.947   1.955
  548    HD2  HIS  59           HD2      HIS  59  -5.020   7.139   5.200
  549    HE1  HIS  59           HE1      HIS  59  -1.643   9.535   6.150
  550    HE2  HIS  59           HE2      HIS  59  -3.375   7.923   7.011
  551    H    ALA  60           H        ALA  60  -6.578   9.581   0.382
  552    HA   ALA  60           HA       ALA  60  -5.399   8.607  -1.929
  553    HB1  ALA  60           HB1      ALA  60  -7.468   8.673  -2.793
  554    HB2  ALA  60           HB2      ALA  60  -7.709  10.365  -2.346
  555    HB3  ALA  60           HB3      ALA  60  -7.938   9.094  -1.141
  556    H    GLY  61           H        GLY  61  -4.093   9.468  -3.397
  557    HA2  GLY  61           HA2      GLY  61  -2.923  11.006  -4.613
  558    HA3  GLY  61           HA3      GLY  61  -4.354  11.968  -4.533
  559    H    SER  62           H        SER  62  -3.313  11.363  -1.421
  560    HA   SER  62           HA       SER  62  -2.435  14.106  -1.139
  561    HB2  SER  62           HB2      SER  62  -3.888  13.388   0.585
  562    HB3  SER  62           HB3      SER  62  -2.985  11.878   0.821
  563    HG   SER  62           HG       SER  62  -1.562  12.908   2.017
  564    H    ILE  63           H        ILE  63  -0.968  11.043  -1.531
  565    HA   ILE  63           HA       ILE  63   1.474  11.636  -0.161
  566    HB   ILE  63           HB       ILE  63   2.368   9.645  -1.506
  567   HG12  ILE  63          HG12      ILE  63  -0.167   8.482  -2.045
  568   HG13  ILE  63          HG13      ILE  63  -0.154  10.060  -2.819
  569   HG21  ILE  63          HG21      ILE  63   1.231   8.062  -0.060
  570   HG22  ILE  63          HG22      ILE  63  -0.079   9.206   0.231
  571   HG23  ILE  63          HG23      ILE  63   1.542   9.551   0.832
  572   HD11  ILE  63          HD11      ILE  63   0.633   8.405  -4.362
  573   HD12  ILE  63          HD12      ILE  63   1.848   7.852  -3.210
  574   HD13  ILE  63          HD13      ILE  63   1.971   9.463  -3.917
  575    H    LYS  64           H        LYS  64   3.596  11.377  -1.434
  576    HA   LYS  64           HA       LYS  64   3.534  13.350  -3.600
  577    HB2  LYS  64           HB2      LYS  64   5.374  12.759  -1.380
  578    HB3  LYS  64           HB3      LYS  64   6.160  13.092  -2.917
  579    HG2  LYS  64           HG2      LYS  64   4.795  15.195  -3.046
  580    HG3  LYS  64           HG3      LYS  64   4.294  14.879  -1.384
  581    HD2  LYS  64           HD2      LYS  64   6.917  14.648  -1.040
  582    HD3  LYS  64           HD3      LYS  64   6.942  15.706  -2.453
  583    HE2  LYS  64           HE2      LYS  64   5.700  17.382  -1.327
  584    HE3  LYS  64           HE3      LYS  64   5.298  16.292  -0.002
  585    HZ1  LYS  64           HZ1      LYS  64   7.039  17.846   0.621
  586    HZ2  LYS  64           HZ2      LYS  64   8.019  17.297  -0.643
  587    HZ3  LYS  64           HZ3      LYS  64   7.627  16.259   0.634
  588    H    GLU  65           H        GLU  65   5.798  12.990  -4.873
  589    HA   GLU  65           HA       GLU  65   5.484  10.473  -6.263
  590    HB2  GLU  65           HB2      GLU  65   6.394  13.136  -6.921
  591    HB3  GLU  65           HB3      GLU  65   7.620  11.955  -7.354
  592    HG2  GLU  65           HG2      GLU  65   6.219  10.866  -8.869
  593    HG3  GLU  65           HG3      GLU  65   4.782  11.576  -8.122
  594    H    GLY  66           H        GLY  66   7.977   9.873  -7.156
  595    HA2  GLY  66           HA2      GLY  66   9.028   8.200  -5.313
  596    HA3  GLY  66           HA3      GLY  66  10.008   8.961  -6.545
  597    H    GLN  67           H        GLN  67   8.896   9.131  -3.244
  598    HA   GLN  67           HA       GLN  67  11.293  10.599  -2.440
  599    HB2  GLN  67           HB2      GLN  67   9.991  12.021  -0.944
  600    HB3  GLN  67           HB3      GLN  67   9.455  12.265  -2.601
  601    HG2  GLN  67           HG2      GLN  67   7.403  12.007  -1.829
  602    HG3  GLN  67           HG3      GLN  67   7.781  10.290  -1.738
  603   HE21  GLN  67          HE21      GLN  67   8.449   9.423   0.260
  604   HE22  GLN  67          HE22      GLN  67   8.024  10.189   1.750
  605    H    VAL  68           H        VAL  68  11.647  10.301   0.006
  606    HA   VAL  68           HA       VAL  68  11.184   7.550   0.601
  607    HB   VAL  68           HB       VAL  68  12.498   9.520   2.445
  608   HG11  VAL  68          HG11      VAL  68  12.489   6.619   1.985
  609   HG12  VAL  68          HG12      VAL  68  12.228   7.493   3.489
  610   HG13  VAL  68          HG13      VAL  68  13.855   7.348   2.824
  611   HG21  VAL  68          HG21      VAL  68  14.608   9.002   1.381
  612   HG22  VAL  68          HG22      VAL  68  13.489   9.806   0.265
  613   HG23  VAL  68          HG23      VAL  68  13.720   8.029   0.185
  614    H    VAL  69           H        VAL  69   9.378   6.921   1.536
  615    HA   VAL  69           HA       VAL  69   8.113   8.693   3.522
  616    HB   VAL  69           HB       VAL  69   6.181   6.826   2.739
  617   HG11  VAL  69          HG11      VAL  69   4.938   8.731   2.009
  618   HG12  VAL  69          HG12      VAL  69   6.409   9.687   1.828
  619   HG13  VAL  69          HG13      VAL  69   5.874   9.185   3.433
  620   HG21  VAL  69          HG21      VAL  69   7.994   7.288   0.563
  621   HG22  VAL  69          HG22      VAL  69   6.404   7.944   0.177
  622   HG23  VAL  69          HG23      VAL  69   6.573   6.247   0.631
  623    H    LYS  70           H        LYS  70   6.520   7.254   4.912
  624    HA   LYS  70           HA       LYS  70   7.783   4.715   5.607
  625    HB2  LYS  70           HB2      LYS  70   8.724   6.610   7.024
  626    HB3  LYS  70           HB3      LYS  70   7.117   6.762   7.720
  627    HG2  LYS  70           HG2      LYS  70   7.701   4.059   7.926
  628    HG3  LYS  70           HG3      LYS  70   9.217   4.874   8.318
  629    HD2  LYS  70           HD2      LYS  70   7.892   6.326   9.898
  630    HD3  LYS  70           HD3      LYS  70   6.529   5.238   9.630
  631    HE2  LYS  70           HE2      LYS  70   7.908   3.356  10.414
  632    HE3  LYS  70           HE3      LYS  70   9.232   4.477  10.731
  633    HZ1  LYS  70           HZ1      LYS  70   7.993   3.985  12.742
  634    HZ2  LYS  70           HZ2      LYS  70   6.562   4.542  12.032
  635    HZ3  LYS  70           HZ3      LYS  70   7.830   5.619  12.336
  636    H    ILE  71           H        ILE  71   6.147   3.353   5.293
  637    HA   ILE  71           HA       ILE  71   3.414   4.109   5.737
  638    HB   ILE  71           HB       ILE  71   4.560   1.372   5.183
  639   HG12  ILE  71          HG12      ILE  71   4.973   3.260   3.486
  640   HG13  ILE  71          HG13      ILE  71   4.246   1.768   2.886
  641   HG21  ILE  71          HG21      ILE  71   1.767   2.453   5.266
  642   HG22  ILE  71          HG22      ILE  71   2.421   1.002   6.029
  643   HG23  ILE  71          HG23      ILE  71   2.170   1.045   4.283
  644   HD11  ILE  71          HD11      ILE  71   3.268   3.930   2.030
  645   HD12  ILE  71          HD12      ILE  71   2.660   4.213   3.662
  646   HD13  ILE  71          HD13      ILE  71   2.106   2.812   2.744
  647    H    GLU  72           H        GLU  72   2.007   3.392   7.397
  648    HA   GLU  72           HA       GLU  72   3.365   2.230   9.670
  649    HB2  GLU  72           HB2      GLU  72   2.250   4.683   9.570
  650    HB3  GLU  72           HB3      GLU  72   0.887   3.779  10.120
  651    HG2  GLU  72           HG2      GLU  72   3.290   3.098  11.561
  652    HG3  GLU  72           HG3      GLU  72   2.949   4.825  11.650
  653    H    ASN  73           H        ASN  73   1.486   1.575  11.168
  654    HA   ASN  73           HA       ASN  73   0.470  -0.856  10.411
  655    HB2  ASN  73           HB2      ASN  73   0.477   0.650  12.668
  656    HB3  ASN  73           HB3      ASN  73  -1.186   0.694  12.180
  657   HD21  ASN  73          HD21      ASN  73  -2.424  -0.974  12.907
  658   HD22  ASN  73          HD22      ASN  73  -1.858  -2.489  13.468
  659    H    ALA  74           H        ALA  74  -0.596  -1.038   8.545
  660    HA   ALA  74           HA       ALA  74  -3.227   0.284   8.381
  661    HB1  ALA  74           HB1      ALA  74  -1.896   1.191   6.638
  662    HB2  ALA  74           HB2      ALA  74  -2.956  -0.004   5.889
  663    HB3  ALA  74           HB3      ALA  74  -1.265  -0.397   6.205
  664    H    TRP  75           H        TRP  75  -2.314  -2.004   6.006
  665    HA   TRP  75           HA       TRP  75  -2.883  -4.462   7.181
  666    HB2  TRP  75           HB2      TRP  75  -5.197  -4.837   6.327
  667    HB3  TRP  75           HB3      TRP  75  -5.095  -3.716   7.678
  668    HD1  TRP  75           HD1      TRP  75  -5.708  -3.711   3.861
  669    HE1  TRP  75           HE1      TRP  75  -7.028  -1.607   3.292
  670    HE3  TRP  75           HE3      TRP  75  -5.650  -1.385   8.389
  671    HZ2  TRP  75           HZ2      TRP  75  -7.889   0.670   4.508
  672    HZ3  TRP  75           HZ3      TRP  75  -6.768   0.806   8.590
  673    HH2  TRP  75           HH2      TRP  75  -7.883   1.824   6.662
  674    H    THR  76           H        THR  76  -3.662  -6.059   5.545
  675    HA   THR  76           HA       THR  76  -2.756  -5.350   2.856
  676    HB   THR  76           HB       THR  76  -1.720  -7.709   2.803
  677    HG1  THR  76           HG1      THR  76  -0.837  -8.096   5.068
  678   HG21  THR  76          HG21      THR  76   0.418  -6.828   3.844
  679   HG22  THR  76          HG22      THR  76  -0.496  -5.375   4.256
  680   HG23  THR  76          HG23      THR  76  -0.298  -5.843   2.565
  681    H    THR  77           H        THR  77  -3.959  -6.171   1.303
  682    HA   THR  77           HA       THR  77  -5.837  -8.333   1.956
  683    HB   THR  77           HB       THR  77  -7.682  -7.239   0.976
  684    HG1  THR  77           HG1      THR  77  -7.246  -6.161  -0.788
  685   HG21  THR  77          HG21      THR  77  -7.991  -5.823   2.692
  686   HG22  THR  77          HG22      THR  77  -6.900  -4.650   1.956
  687   HG23  THR  77          HG23      THR  77  -6.262  -5.887   3.038
  688    H    ALA  78           H        ALA  78  -5.852  -9.926   0.444
  689    HA   ALA  78           HA       ALA  78  -4.023  -9.616  -1.787
  690    HB1  ALA  78           HB1      ALA  78  -3.877 -11.604  -0.384
  691    HB2  ALA  78           HB2      ALA  78  -4.228 -12.020  -2.060
  692    HB3  ALA  78           HB3      ALA  78  -5.515 -12.060  -0.854
  693    H    PHE  79           H        PHE  79  -4.836  -8.636  -3.542
  694    HA   PHE  79           HA       PHE  79  -7.500  -9.294  -4.448
  695    HB2  PHE  79           HB2      PHE  79  -6.428  -6.898  -4.265
  696    HB3  PHE  79           HB3      PHE  79  -5.698  -7.337  -5.825
  697    HD1  PHE  79           HD1      PHE  79  -8.877  -7.028  -4.026
  698    HD2  PHE  79           HD2      PHE  79  -6.957  -7.298  -7.790
  699    HE1  PHE  79           HE1      PHE  79 -10.987  -6.560  -5.127
  700    HE2  PHE  79           HE2      PHE  79  -9.068  -6.810  -8.904
  701    HZ   PHE  79           HZ       PHE  79 -11.112  -6.440  -7.581
  702    H    LYS  80           H        LYS  80  -7.804 -10.745  -5.975
  703    HA   LYS  80           HA       LYS  80  -7.504 -12.179  -7.696
  704    HB2  LYS  80           HB2      LYS  80  -5.380 -10.230  -8.597
  705    HB3  LYS  80           HB3      LYS  80  -6.154 -11.456  -9.593
  706    HG2  LYS  80           HG2      LYS  80  -7.645  -9.225  -8.246
  707    HG3  LYS  80           HG3      LYS  80  -7.010  -9.122  -9.886
  708    HD2  LYS  80           HD2      LYS  80  -8.392 -11.045 -10.531
  709    HD3  LYS  80           HD3      LYS  80  -9.023 -11.136  -8.882
  710    HE2  LYS  80           HE2      LYS  80  -9.847  -8.792  -9.154
  711    HE3  LYS  80           HE3      LYS  80  -9.375  -8.882 -10.849
  712    HZ1  LYS  80           HZ1      LYS  80 -11.712  -9.371 -10.592
  713    HZ2  LYS  80           HZ2      LYS  80 -11.372 -10.625  -9.510
  714    HZ3  LYS  80           HZ3      LYS  80 -10.895 -10.752 -11.128
  715    H    GLY  81           H        GLY  81  -5.656 -12.246  -5.215
  716    HA2  GLY  81           HA2      GLY  81  -4.478 -14.251  -4.651
  717    HA3  GLY  81           HA3      GLY  81  -3.948 -14.371  -6.320
  718    H    GLN  82           H        GLN  82  -3.448 -11.258  -5.911
  719    HA   GLN  82           HA       GLN  82  -0.730 -11.676  -4.882
  720    HB2  GLN  82           HB2      GLN  82  -0.987  -9.049  -5.876
  721    HB3  GLN  82           HB3      GLN  82  -0.056 -10.371  -6.563
  722    HG2  GLN  82           HG2      GLN  82  -1.424 -10.513  -8.298
  723    HG3  GLN  82           HG3      GLN  82  -2.845 -10.592  -7.260
  724   HE21  GLN  82          HE21      GLN  82  -2.425  -8.063  -5.985
  725   HE22  GLN  82          HE22      GLN  82  -2.781  -6.839  -7.148
  726    H    VAL  83           H        VAL  83   0.040 -10.529  -3.138
  727    HA   VAL  83           HA       VAL  83  -1.924  -9.486  -1.357
  728    HB   VAL  83           HB       VAL  83   1.042  -9.054  -1.030
  729   HG11  VAL  83          HG11      VAL  83   0.103  -9.667   1.406
  730   HG12  VAL  83          HG12      VAL  83  -1.331  -8.925   0.694
  731   HG13  VAL  83          HG13      VAL  83   0.182  -8.026   0.768
  732   HG21  VAL  83          HG21      VAL  83   0.708 -11.404  -1.627
  733   HG22  VAL  83          HG22      VAL  83  -0.478 -11.559  -0.333
  734   HG23  VAL  83          HG23      VAL  83   1.210 -11.225   0.054
  735    H    GLN  84           H        GLN  84  -2.000  -7.308  -0.483
  736    HA   GLN  84           HA       GLN  84  -0.749  -5.234  -2.113
  737    HB2  GLN  84           HB2      GLN  84  -3.325  -6.025  -2.692
  738    HB3  GLN  84           HB3      GLN  84  -3.580  -4.666  -1.608
  739    HG2  GLN  84           HG2      GLN  84  -2.356  -3.203  -3.031
  740    HG3  GLN  84           HG3      GLN  84  -1.818  -4.546  -4.037
  741   HE21  GLN  84          HE21      GLN  84  -4.420  -2.413  -3.238
  742   HE22  GLN  84          HE22      GLN  84  -5.455  -2.841  -4.584
  743    H    LEU  85           H        LEU  85  -1.235  -3.026  -1.160
  744    HA   LEU  85           HA       LEU  85  -1.531  -3.200   1.764
  745    HB2  LEU  85           HB2      LEU  85   0.840  -2.836   0.485
  746    HB3  LEU  85           HB3      LEU  85   0.336  -1.177   0.729
  747    HG   LEU  85           HG       LEU  85  -0.016  -2.610   3.181
  748   HD11  LEU  85          HD11      LEU  85   2.317  -3.198   3.635
  749   HD12  LEU  85          HD12      LEU  85   2.737  -2.831   1.961
  750   HD13  LEU  85          HD13      LEU  85   1.650  -4.172   2.324
  751   HD21  LEU  85          HD21      LEU  85   1.601  -0.895   3.958
  752   HD22  LEU  85          HD22      LEU  85   0.251  -0.229   3.035
  753   HD23  LEU  85          HD23      LEU  85   1.835  -0.410   2.276
  754    H    ASN  86           H        ASN  86  -2.405  -1.344   2.783
  755    HA   ASN  86           HA       ASN  86  -3.436   0.779   0.988
  756    HB2  ASN  86           HB2      ASN  86  -5.038  -0.556   3.174
  757    HB3  ASN  86           HB3      ASN  86  -5.595   0.701   2.102
  758   HD21  ASN  86          HD21      ASN  86  -4.341  -2.528   2.189
  759   HD22  ASN  86          HD22      ASN  86  -5.167  -3.107   0.791
  760    H    ALA  87           H        ALA  87  -4.317   2.651   2.296
  761    HA   ALA  87           HA       ALA  87  -3.176   2.678   4.992
  762    HB1  ALA  87           HB1      ALA  87  -2.771   4.963   3.072
  763    HB2  ALA  87           HB2      ALA  87  -1.552   3.742   3.431
  764    HB3  ALA  87           HB3      ALA  87  -2.129   4.814   4.707
  765    H    GLY  88           H        GLY  88  -4.754   3.102   6.327
  766    HA2  GLY  88           HA2      GLY  88  -6.814   5.036   5.522
  767    HA3  GLY  88           HA3      GLY  88  -7.092   3.713   6.562
  768    H    SER  89           H        SER  89  -7.527   4.361   8.570
  769    HA   SER  89           HA       SER  89  -6.584   6.915   9.466
  770    HB2  SER  89           HB2      SER  89  -8.242   4.864  10.949
  771    HB3  SER  89           HB3      SER  89  -7.944   6.520  11.477
  772    HG   SER  89           HG       SER  89  -9.849   5.661   9.877
  773    H    LYS  90           H        LYS  90  -6.150   3.588  10.888
  774    HA   LYS  90           HA       LYS  90  -4.372   4.552  12.892
  775    HB2  LYS  90           HB2      LYS  90  -3.783   2.256  13.396
  776    HB3  LYS  90           HB3      LYS  90  -5.508   2.354  13.184
  777    HG2  LYS  90           HG2      LYS  90  -3.800   1.543  10.894
  778    HG3  LYS  90           HG3      LYS  90  -4.168   0.393  12.176
  779    HD2  LYS  90           HD2      LYS  90  -6.439   1.921  11.056
  780    HD3  LYS  90           HD3      LYS  90  -5.700   0.699  10.022
  781    HE2  LYS  90           HE2      LYS  90  -7.528  -0.281  11.246
  782    HE3  LYS  90           HE3      LYS  90  -6.005  -0.964  11.814
  783    HZ1  LYS  90           HZ1      LYS  90  -6.105   0.638  13.682
  784    HZ2  LYS  90           HZ2      LYS  90  -7.379  -0.474  13.687
  785    HZ3  LYS  90           HZ3      LYS  90  -7.646   1.112  13.162
  786    H    THR  91           H        THR  91  -3.968   4.404   9.674
  787    HA   THR  91           HA       THR  91  -1.105   3.781   9.734
  788    HB   THR  91           HB       THR  91  -2.667   4.601   7.288
  789    HG1  THR  91           HG1      THR  91  -2.746   2.094   8.614
  790   HG21  THR  91          HG21      THR  91  -0.377   2.677   7.708
  791   HG22  THR  91          HG22      THR  91  -0.245   4.326   7.097
  792   HG23  THR  91          HG23      THR  91  -1.100   3.104   6.157
  793    H    LYS  92           H        LYS  92   0.279   5.480   9.933
  794    HA   LYS  92           HA       LYS  92  -0.635   8.145   9.054
  795    HB2  LYS  92           HB2      LYS  92   0.745   7.228  11.471
  796    HB3  LYS  92           HB3      LYS  92   1.552   8.580  10.689
  797    HG2  LYS  92           HG2      LYS  92   0.086   9.501  12.285
  798    HG3  LYS  92           HG3      LYS  92  -0.660   9.776  10.711
  799    HD2  LYS  92           HD2      LYS  92  -2.104   7.816  11.074
  800    HD3  LYS  92           HD3      LYS  92  -1.371   7.583  12.662
  801    HE2  LYS  92           HE2      LYS  92  -2.150   9.835  13.313
  802    HE3  LYS  92           HE3      LYS  92  -2.946   9.987  11.747
  803    HZ1  LYS  92           HZ1      LYS  92  -4.506   9.299  13.442
  804    HZ2  LYS  92           HZ2      LYS  92  -3.559   7.948  13.817
  805    HZ3  LYS  92           HZ3      LYS  92  -4.308   8.062  12.305
  806    H    ILE  93           H        ILE  93   0.265   8.624   7.113
  807    HA   ILE  93           HA       ILE  93   2.892   7.493   6.491
  808    HB   ILE  93           HB       ILE  93   1.289   9.164   4.583
  809   HG12  ILE  93          HG12      ILE  93   0.931   6.187   5.033
  810   HG13  ILE  93          HG13      ILE  93  -0.219   7.424   5.522
  811   HG21  ILE  93          HG21      ILE  93   3.587   8.583   3.993
  812   HG22  ILE  93          HG22      ILE  93   2.430   7.797   2.913
  813   HG23  ILE  93          HG23      ILE  93   3.209   6.870   4.196
  814   HD11  ILE  93          HD11      ILE  93   0.560   6.639   2.732
  815   HD12  ILE  93          HD12      ILE  93  -0.370   8.088   3.111
  816   HD13  ILE  93          HD13      ILE  93  -1.015   6.497   3.512
  817    H    ALA  94           H        ALA  94   4.696   8.682   6.071
  818    HA   ALA  94           HA       ALA  94   4.703  11.576   5.789
  819    HB1  ALA  94           HB1      ALA  94   5.960  12.039   7.772
  820    HB2  ALA  94           HB2      ALA  94   5.681  10.390   8.398
  821    HB3  ALA  94           HB3      ALA  94   4.319  11.508   8.205
  822    H    GLU  95           H        GLU  95   6.682  12.462   5.206
  823    HA   GLU  95           HA       GLU  95   8.451  10.758   3.844
  824    HB2  GLU  95           HB2      GLU  95   9.174  13.573   4.644
  825    HB3  GLU  95           HB3      GLU  95   9.461  12.603   3.373
  826    HG2  GLU  95           HG2      GLU  95   8.077  13.683   2.274
  827    HG3  GLU  95           HG3      GLU  95   6.921  12.674   2.959
  828    H    ALA  96           H        ALA  96  10.296   9.907   4.357
  829    HA   ALA  96           HA       ALA  96  11.378  10.366   7.077
  830    HB1  ALA  96           HB1      ALA  96  11.760   8.079   7.453
  831    HB2  ALA  96           HB2      ALA  96  11.500   7.679   5.750
  832    HB3  ALA  96           HB3      ALA  96  10.132   8.152   6.771
  833    H    SER  97           H        SER  97  13.557  10.594   7.239
  834    HA   SER  97           HA       SER  97  15.081  10.446   4.724
  835    HB2  SER  97           HB2      SER  97  16.656  12.040   5.904
  836    HB3  SER  97           HB3      SER  97  15.096  12.671   5.476
  837    HG   SER  97           HG       SER  97  15.181  11.507   7.963
  838    H    GLU  98           H        GLU  98  16.633   8.969   4.567
  839    HA   GLU  98           HA       GLU  98  17.840   7.922   7.038
  840    HB2  GLU  98           HB2      GLU  98  16.927   6.330   4.633
  841    HB3  GLU  98           HB3      GLU  98  17.879   5.663   5.927
  842    HG2  GLU  98           HG2      GLU  98  15.450   6.978   6.798
  843    HG3  GLU  98           HG3      GLU  98  15.247   5.509   5.846
  844    H    ASP  99           H        ASP  99  19.578   6.094   5.568
  845    HA   ASP  99           HA       ASP  99  21.608   7.906   4.824
  846    HB2  ASP  99           HB2      ASP  99  21.408   4.922   5.084
  847    HB3  ASP  99           HB3      ASP  99  22.813   5.655   4.317
  848    H    GLY 100           H        GLY 100  19.077   7.523   3.130
  849    HA2  GLY 100           HA2      GLY 100  18.991   8.040   0.814
  850    HA3  GLY 100           HA3      GLY 100  20.547   7.259   0.578
  851    H    PHE 101           H        PHE 101  17.109   6.701   1.079
  852    HA   PHE 101           HA       PHE 101  17.112   3.907   0.853
  853    HB2  PHE 101           HB2      PHE 101  15.192   5.913   1.166
  854    HB3  PHE 101           HB3      PHE 101  14.760   5.120  -0.344
  855    HD1  PHE 101           HD2      PHE 101  15.730   4.266   3.161
  856    HD2  PHE 101           HD1      PHE 101  13.392   3.280  -0.254
  857    HE1  PHE 101           HE2      PHE 101  14.685   2.437   4.414
  858    HE2  PHE 101           HE1      PHE 101  12.320   1.481   0.959
  859    HZ   PHE 101           HZ       PHE 101  12.977   1.028   3.340
  860    HA   PRO 102           HA       PRO 102  18.139   2.945  -3.333
  861    HB2  PRO 102           HB2      PRO 102  15.703   1.223  -3.281
  862    HB3  PRO 102           HB3      PRO 102  17.361   0.813  -3.742
  863    HG2  PRO 102           HG2      PRO 102  16.407   0.024  -1.403
  864    HG3  PRO 102           HG3      PRO 102  18.079   0.601  -1.552
  865    HD2  PRO 102           HD2      PRO 102  15.698   1.980  -0.403
  866    HD3  PRO 102           HD3      PRO 102  17.408   2.046   0.100
  867    H    GLU 103           H        GLU 103  17.618   3.631  -5.362
  868    HA   GLU 103           HA       GLU 103  15.448   5.472  -5.634
  869    HB2  GLU 103           HB2      GLU 103  17.834   5.375  -6.794
  870    HB3  GLU 103           HB3      GLU 103  16.945   4.473  -8.012
  871    HG2  GLU 103           HG2      GLU 103  15.512   6.302  -8.456
  872    HG3  GLU 103           HG3      GLU 103  16.081   7.177  -7.035
  873    H    SER 104           H        SER 104  13.858   5.375  -7.391
  874    HA   SER 104           HA       SER 104  12.351   2.993  -7.295
  875    HB2  SER 104           HB2      SER 104  12.007   5.114  -9.409
  876    HB3  SER 104           HB3      SER 104  10.773   4.102  -8.659
  877    HG   SER 104           HG       SER 104  12.259   6.162  -7.391
  878    H    SER 105           H        SER 105  14.802   4.134  -9.473
  879    HA   SER 105           HA       SER 105  14.163   2.241 -11.557
  880    HB2  SER 105           HB2      SER 105  15.752   4.588 -11.341
  881    HB3  SER 105           HB3      SER 105  16.816   3.272 -11.837
  882    HG   SER 105           HG       SER 105  15.756   3.083 -13.681
  883    H    GLN 106           H        GLN 106  15.585   1.974  -8.586
  884    HA   GLN 106           HA       GLN 106  17.154  -0.370  -9.439
  885    HB2  GLN 106           HB2      GLN 106  17.767   1.363  -7.054
  886    HB3  GLN 106           HB3      GLN 106  18.736   0.069  -7.673
  887    HG2  GLN 106           HG2      GLN 106  18.877   1.506  -9.822
  888    HG3  GLN 106           HG3      GLN 106  18.283   2.804  -8.788
  889   HE21  GLN 106          HE21      GLN 106  20.595   0.172  -8.240
  890   HE22  GLN 106          HE22      GLN 106  21.908   1.192  -7.772
  891    H    ILE 107           H        ILE 107  14.355   0.354  -8.194
  892    HA   ILE 107           HA       ILE 107  14.452  -1.370  -5.840
  893    HB   ILE 107           HB       ILE 107  12.484   0.602  -6.908
  894   HG12  ILE 107          HG12      ILE 107  13.195   0.046  -4.041
  895   HG13  ILE 107          HG13      ILE 107  14.288   0.953  -5.081
  896   HG21  ILE 107          HG21      ILE 107  10.725  -0.210  -5.427
  897   HG22  ILE 107          HG22      ILE 107  11.729  -1.598  -4.971
  898   HG23  ILE 107          HG23      ILE 107  11.141  -1.428  -6.633
  899   HD11  ILE 107          HD11      ILE 107  11.501   1.853  -5.050
  900   HD12  ILE 107          HD12      ILE 107  13.011   2.769  -5.083
  901   HD13  ILE 107          HD13      ILE 107  12.418   2.073  -3.558
  902    HA   PRO 108           HA       PRO 108  13.333  -4.942  -8.321
  903    HB2  PRO 108           HB2      PRO 108  12.375  -5.875  -5.657
  904    HB3  PRO 108           HB3      PRO 108  13.428  -6.691  -6.822
  905    HG2  PRO 108           HG2      PRO 108  14.460  -5.622  -4.633
  906    HG3  PRO 108           HG3      PRO 108  15.305  -5.494  -6.190
  907    HD2  PRO 108           HD2      PRO 108  13.738  -3.425  -4.719
  908    HD3  PRO 108           HD3      PRO 108  15.216  -3.250  -5.687
  909    H    GLU 109           H        GLU 109  11.381  -6.211  -8.732
  910    HA   GLU 109           HA       GLU 109   8.924  -4.713  -8.089
  911    HB2  GLU 109           HB2      GLU 109   8.088  -5.568 -10.339
  912    HB3  GLU 109           HB3      GLU 109   9.314  -4.309 -10.388
  913    HG2  GLU 109           HG2      GLU 109  11.009  -5.862 -10.970
  914    HG3  GLU 109           HG3      GLU 109   9.950  -7.234 -10.644
  915    H    ASN 110           H        ASN 110  10.416  -7.325  -7.178
  916    HA   ASN 110           HA       ASN 110   8.844  -9.544  -7.718
  917    HB2  ASN 110           HB2      ASN 110  11.057  -9.173  -6.260
  918    HB3  ASN 110           HB3      ASN 110   9.884  -9.244  -4.947
  919   HD21  ASN 110          HD21      ASN 110  11.815 -11.020  -7.018
  920   HD22  ASN 110          HD22      ASN 110  11.137 -12.582  -6.732
  921    H    THR 111           H        THR 111   6.804 -10.029  -7.293
  922    HA   THR 111           HA       THR 111   5.268  -8.357  -5.485
  923    HB   THR 111           HB       THR 111   3.647 -10.441  -6.537
  924    HG1  THR 111           HG1      THR 111   5.498  -9.340  -8.391
  925   HG21  THR 111          HG21      THR 111   2.994  -8.090  -6.047
  926   HG22  THR 111          HG22      THR 111   2.506  -8.625  -7.656
  927   HG23  THR 111          HG23      THR 111   3.910  -7.577  -7.464
  928    HA   PRO 112           HA       PRO 112   5.978 -11.342  -2.176
  929    HB2  PRO 112           HB2      PRO 112   3.852  -9.705  -0.905
  930    HB3  PRO 112           HB3      PRO 112   5.445 -10.167  -0.288
  931    HG2  PRO 112           HG2      PRO 112   5.023  -7.688  -1.118
  932    HG3  PRO 112           HG3      PRO 112   6.552  -8.517  -1.478
  933    HD2  PRO 112           HD2      PRO 112   4.217  -8.018  -3.273
  934    HD3  PRO 112           HD3      PRO 112   5.955  -7.928  -3.626
  935    H    THR 113           H        THR 113   4.959 -13.219  -1.670
  936    HA   THR 113           HA       THR 113   2.071 -13.453  -1.842
  937    HB   THR 113           HB       THR 113   3.277 -15.664  -3.303
  938    HG1  THR 113           HG1      THR 113   3.529 -14.254  -5.238
  939   HG21  THR 113          HG21      THR 113   0.869 -15.212  -3.192
  940   HG22  THR 113          HG22      THR 113   1.449 -15.185  -4.857
  941   HG23  THR 113          HG23      THR 113   1.120 -13.673  -4.014
  942    H    ALA 114           H        ALA 114   1.398 -14.675  -0.208
  943    HA   ALA 114           HA       ALA 114   3.180 -15.988   1.545
  944    HB1  ALA 114           HB1      ALA 114   1.180 -16.762   2.707
  945    HB2  ALA 114           HB2      ALA 114   0.183 -16.270   1.338
  946    HB3  ALA 114           HB3      ALA 114   1.044 -15.056   2.284
  947    H    ARG 115           H        ARG 115   2.982 -18.303   2.185
  948    HA   ARG 115           HA       ARG 115   3.187 -19.962  -0.185
  949    HB2  ARG 115           HB2      ARG 115   3.947 -21.708   1.465
  950    HB3  ARG 115           HB3      ARG 115   4.943 -20.260   1.398
  951    HG2  ARG 115           HG2      ARG 115   3.728 -19.414   3.400
  952    HG3  ARG 115           HG3      ARG 115   2.915 -20.978   3.501
  953    HD2  ARG 115           HD2      ARG 115   4.884 -20.798   4.992
  954    HD3  ARG 115           HD3      ARG 115   5.015 -22.105   3.817
  955    HE   ARG 115           HE       ARG 115   6.330 -19.506   3.383
  956   HH11  ARG 115          HH11      ARG 115   6.438 -22.984   3.600
  957   HH12  ARG 115          HH12      ARG 115   8.071 -23.096   3.037
  958   HH21  ARG 115          HH21      ARG 115   8.481 -19.647   2.639
  959   HH22  ARG 115          HH22      ARG 115   9.234 -21.199   2.492
  960    H    ARG 116           H        ARG 116   1.886 -21.662  -0.707
  961    HA   ARG 116           HA       ARG 116  -0.571 -21.958   0.892
  962    HB2  ARG 116           HB2      ARG 116  -0.080 -22.147  -2.070
  963    HB3  ARG 116           HB3      ARG 116  -1.506 -22.861  -1.331
  964    HG2  ARG 116           HG2      ARG 116  -2.086 -20.628  -0.421
  965    HG3  ARG 116           HG3      ARG 116  -0.724 -19.955  -1.318
  966    HD2  ARG 116           HD2      ARG 116  -2.439 -21.604  -2.981
  967    HD3  ARG 116           HD3      ARG 116  -3.314 -20.263  -2.241
  968    HE   ARG 116           HE       ARG 116  -1.360 -20.107  -4.320
  969   HH11  ARG 116          HH11      ARG 116  -2.747 -18.392  -1.623
  970   HH12  ARG 116          HH12      ARG 116  -2.353 -16.827  -2.249
  971   HH21  ARG 116          HH21      ARG 116  -0.836 -18.050  -5.153
  972   HH22  ARG 116          HH22      ARG 116  -1.267 -16.632  -4.257
  973    H    ARG 117           H        ARG 117  -1.436 -24.038   1.201
  974    HA   ARG 117           HA       ARG 117   0.553 -26.109   1.391
  975    HB2  ARG 117           HB2      ARG 117  -2.394 -26.402   1.948
  976    HB3  ARG 117           HB3      ARG 117  -1.069 -27.348   2.611
  977    HG2  ARG 117           HG2      ARG 117  -0.301 -25.421   3.876
  978    HG3  ARG 117           HG3      ARG 117  -1.590 -24.437   3.180
  979    HD2  ARG 117           HD2      ARG 117  -2.348 -26.961   4.550
  980    HD3  ARG 117           HD3      ARG 117  -1.830 -25.604   5.551
  981    HE   ARG 117           HE       ARG 117  -3.712 -24.647   3.734
  982   HH11  ARG 117          HH11      ARG 117  -3.560 -26.864   6.420
  983   HH12  ARG 117          HH12      ARG 117  -5.210 -26.618   6.884
  984   HH21  ARG 117          HH21      ARG 117  -5.884 -24.316   4.338
  985   HH22  ARG 117          HH22      ARG 117  -6.532 -25.169   5.700