*HEADER    ION CHANNEL INHIBITOR                   10-APR-06   2CK5
*TITLE     SOLUTION STRUCTURE OF DELTA 1-7 AOSK1
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: POTASSIUM CHANNEL TOXIN ALPHA-KTX 3.7;
*COMPND   3 SYNONYM: DELTA 1-7 AOSK1, TOXIN OSK1, OSK-1;
*COMPND   4 CHAIN: A;
*COMPND   5 MUTATION: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 ORGANISM_SCIENTIFIC: ORTHOCHIRUS SCROBICULOSUS;
*SOURCE   4 ORGANISM_COMMON: CENTRAL ASIAN SCORPION
*KEYWDS    POTASSIUM CHANNEL INHIBITOR, ION CHANNEL BLOCKER, IONIC
*KEYWDS   2 CHANNEL INHIBITOR, OSK1, TOXIN, NEUROTOXIN, SCORPIO TOXIN,
*KEYWDS   3 ION CHANNEL INHIBITOR
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    S.ALPHONSE,S.MOUHAT,J.M.SABATIER,H.DARBON,C.BERNARD




 ASSI {    1}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.300     0.600     0.600 peak     1 spectrum    1 weight  0.11000E+01 volume  0.10192E-01 ppm1      9.547 ppm2      4.371 CV     1
 ASSI {    1}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      3.500     1.500     1.500 peak     1 spectrum    1 weight  0.11000E+01 volume  0.10891E-02 ppm1      9.547 ppm2      2.761 CV     1
 ASSI {    2}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      4.000     2.000     2.000 peak     2 spectrum    1 weight  0.11000E+01 volume  0.82087E-03 ppm1      9.547 ppm2      3.073 CV     1
 ASSI {    4}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak     4 spectrum    1 weight  0.11000E+01 volume  0.28002E-02 ppm1      9.445 ppm2      4.905 CV     1
 ASSI {    5}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.000     1.100     1.100 peak     5 spectrum    1 weight  0.11000E+01 volume  0.31103E-02 ppm1      9.445 ppm2      3.285 CV     1
 ASSI {    6}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.600     0.900     0.900 peak     6 spectrum    1 weight  0.11000E+01 volume  0.45171E-02 ppm1      9.445 ppm2      3.141 CV     1
 ASSI {    7}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.400     0.700     0.700 peak     7 spectrum    1 weight  0.11000E+01 volume  0.49175E-02 ppm1      9.276 ppm2      4.091 CV     1
 ASSI {    8}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.500     0.800     0.800 peak     8 spectrum    1 weight  0.11000E+01 volume  0.28684E-02 ppm1      9.276 ppm2      4.027 CV     1
 ASSI {    9}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.000     1.100     1.100 peak     9 spectrum    1 weight  0.11000E+01 volume  0.18566E-02 ppm1      9.135 ppm2      5.347 CV     1
 ASSI {   10}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.500     1.600     1.600 peak    10 spectrum    1 weight  0.11000E+01 volume  0.18636E-02 ppm1      9.136 ppm2      2.984 CV     1
 ASSI {   11}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.500     0.800     0.800 peak    11 spectrum    1 weight  0.11000E+01 volume  0.56417E-02 ppm1      9.136 ppm2      2.732 CV     1
 ASSI {   12}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.900     1.100     1.100 peak    12 spectrum    1 weight  0.11000E+01 volume  0.20651E-02 ppm1      9.047 ppm2      5.055 CV     1
 ASSI {   14}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.400     1.500     1.500 peak    14 spectrum    1 weight  0.11000E+01 volume  0.16713E-02 ppm1      9.046 ppm2      2.577 CV     1
 ASSI {   15}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.000     1.100     1.100 peak    15 spectrum    1 weight  0.11000E+01 volume  0.24831E-02 ppm1      8.839 ppm2      4.453 CV     1
 ASSI {   16}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.400     0.700     0.700 peak    16 spectrum    1 weight  0.11000E+01 volume  0.74840E-02 ppm1      8.836 ppm2      2.917 CV     1
 OR {   16}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {   17}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.600     0.900     0.900 peak    17 spectrum    1 weight  0.11000E+01 volume  0.37501E-02 ppm1      8.816 ppm2      4.207 CV     1
 ASSI {   18}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG2 ))
      2.300     0.700     0.700 peak    18 spectrum    1 weight  0.11000E+01 volume  0.71090E-02 ppm1      8.817 ppm2      1.934 CV     1
 ASSI {   19}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.500     0.800     0.800 peak    19 spectrum    1 weight  0.11000E+01 volume  0.76672E-02 ppm1      8.818 ppm2      1.833 CV     1
 ASSI {   20}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG1 ))
      3.200     1.300     1.300 peak    20 spectrum    1 weight  0.11000E+01 volume  0.12641E-02 ppm1      8.818 ppm2      1.471 CV     1
 ASSI {   22}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.700     0.900     0.900 peak    22 spectrum    1 weight  0.11000E+01 volume  0.17768E-02 ppm1      8.778 ppm2      4.845 CV     1
 ASSI {   23}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      2.300     0.700     0.700 peak    23 spectrum    1 weight  0.11000E+01 volume  0.53735E-02 ppm1      8.778 ppm2      2.740 CV     1
 ASSI {   24}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.400     0.700     0.700 peak    24 spectrum    1 weight  0.11000E+01 volume  0.35822E-02 ppm1      8.778 ppm2      2.525 CV     1
 ASSI {   25}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.800     1.000     1.000 peak    25 spectrum    1 weight  0.11000E+01 volume  0.16394E-02 ppm1      7.866 ppm2      4.907 CV     1
 ASSI {   26}
   (( segid "    " and resid 3    and name HG11))
   (  segid "    " and resid 3    and name HG2%)
      2.400     0.700     0.700 peak    26 spectrum    1 weight  0.11000E+01 volume  0.94784E-02 ppm1      1.322 ppm2      1.154 CV     1
 OR {   26}
   (( segid "    " and resid 3    and name HG12))
   (  segid "    " and resid 3    and name HG2%)
 ASSI {   27}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.100     1.200     1.200 peak    27 spectrum    1 weight  0.11000E+01 volume  0.16197E-02 ppm1      9.078 ppm2      4.705 CV     1
 ASSI {   28}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG1 ))
      4.500     2.500     1.500 peak    28 spectrum    1 weight  0.11000E+01 volume  0.51642E-03 ppm1      9.079 ppm2      2.335 CV     1
 ASSI {   29}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
      4.300     2.300     1.700 peak    29 spectrum    1 weight  0.11000E+01 volume  0.61268E-03 ppm1      9.078 ppm2      2.286 CV     1
 ASSI {   30}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.000     1.100     1.100 peak    30 spectrum    1 weight  0.11000E+01 volume  0.17006E-02 ppm1      9.077 ppm2      1.917 CV     1
 ASSI {   31}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 3    and name HG12))
      2.400     0.700     0.700 peak    31 spectrum    1 weight  0.11000E+01 volume  0.62798E-02 ppm1      2.198 ppm2      1.304 CV     1
 OR {   31}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 3    and name HG11))
 ASSI {   32}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak    32 spectrum    1 weight  0.11000E+01 volume  0.17483E-02 ppm1      8.674 ppm2      4.905 CV     1
 ASSI {   33}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB  ))
      3.000     1.100     1.100 peak    33 spectrum    1 weight  0.11000E+01 volume  0.35664E-02 ppm1      8.679 ppm2      4.098 CV     1
 ASSI {   34}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 29   and name HG2%)
      3.100     1.200     1.200 peak    34 spectrum    1 weight  0.11000E+01 volume  0.17672E-02 ppm1      8.674 ppm2      1.284 CV     1
 ASSI {   35}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.600     0.900     0.900 peak    35 spectrum    1 weight  0.11000E+01 volume  0.33880E-02 ppm1      8.410 ppm2      4.280 CV     1
 ASSI {   36}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.200     0.600     0.600 peak    36 spectrum    1 weight  0.11000E+01 volume  0.10064E-01 ppm1      8.411 ppm2      1.931 CV     1
 OR {   36}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {   37}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HD1 ))
      4.200     2.200     1.800 peak    37 spectrum    1 weight  0.11000E+01 volume  0.60421E-03 ppm1      8.412 ppm2      1.651 CV     1
 OR {   37}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HD2 ))
 ASSI {   38}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.700     1.700     1.700 peak    38 spectrum    1 weight  0.11000E+01 volume  0.11600E-02 ppm1      8.406 ppm2      1.526 CV     1
 ASSI {   39}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      4.200     2.200     1.800 peak    39 spectrum    1 weight  0.11000E+01 volume  0.57660E-03 ppm1      8.410 ppm2      1.446 CV     1
 ASSI {   41}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.800     1.000     1.000 peak    41 spectrum    1 weight  0.11000E+01 volume  0.25596E-02 ppm1      8.374 ppm2      4.636 CV     1
 ASSI {   42}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.600     0.900     0.900 peak    42 spectrum    1 weight  0.11000E+01 volume  0.47082E-02 ppm1      8.372 ppm2      1.717 CV     1
 OR {   42}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {   43}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HD2 ))
      4.000     2.000     2.000 peak    43 spectrum    1 weight  0.11000E+01 volume  0.75698E-03 ppm1      8.374 ppm2      1.403 CV     1
 OR {   43}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HD1 ))
 ASSI {   44}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
      3.500     1.500     1.500 peak    44 spectrum    1 weight  0.11000E+01 volume  0.94678E-03 ppm1      8.374 ppm2      1.324 CV     1
 OR {   44}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {   45}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.900     1.000     1.000 peak    45 spectrum    1 weight  0.11000E+01 volume  0.36916E-02 ppm1      9.078 ppm2      1.656 CV     1
 ASSI {   46}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
      2.700     0.900     0.900 peak    46 spectrum    1 weight  0.11000E+01 volume  0.29308E-02 ppm1      7.763 ppm2      3.726 CV     1
 OR {   46}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
 ASSI {   47}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.000     1.100     1.100 peak    47 spectrum    1 weight  0.11000E+01 volume  0.21057E-02 ppm1      8.254 ppm2      4.212 CV     1
 ASSI {   48}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HD2 ))
      4.200     2.200     1.800 peak    48 spectrum    1 weight  0.11000E+01 volume  0.63152E-03 ppm1      8.255 ppm2      2.975 CV     1
 OR {   48}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {   49}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.800     1.000     1.000 peak    49 spectrum    1 weight  0.11000E+01 volume  0.47210E-02 ppm1      8.255 ppm2      1.411 CV     1
 ASSI {   50}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.700     0.900     0.900 peak    50 spectrum    1 weight  0.11000E+01 volume  0.26240E-02 ppm1      8.256 ppm2      1.340 CV     1
 ASSI {   51}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      2.900     1.100     1.100 peak    51 spectrum    1 weight  0.11000E+01 volume  0.27445E-02 ppm1      8.256 ppm2      1.172 CV     1
 OR {   51}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {   52}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.900     1.100     1.100 peak    52 spectrum    1 weight  0.11000E+01 volume  0.19167E-02 ppm1      8.150 ppm2      4.832 CV     1
 ASSI {   53}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.600     1.600     1.600 peak    53 spectrum    1 weight  0.11000E+01 volume  0.12689E-02 ppm1      8.154 ppm2      3.076 CV     1
 ASSI {   54}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.100     0.600     0.600 peak    54 spectrum    1 weight  0.11000E+01 volume  0.68597E-02 ppm1      8.154 ppm2      2.685 CV     1
 ASSI {   55}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.300     1.300     1.300 peak    55 spectrum    1 weight  0.11000E+01 volume  0.13431E-02 ppm1      8.158 ppm2      1.814 CV     1
 ASSI {   56}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.800     1.000     1.000 peak    56 spectrum    1 weight  0.11000E+01 volume  0.29063E-02 ppm1      8.158 ppm2      1.744 CV     1
 ASSI {   57}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.900     0.900 peak    57 spectrum    1 weight  0.11000E+01 volume  0.44572E-02 ppm1      8.158 ppm2      4.076 CV     1
 ASSI {   58}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HD2 ))
      4.400     2.400     1.600 peak    58 spectrum    1 weight  0.11000E+01 volume  0.48678E-03 ppm1      8.159 ppm2      1.662 CV     1
 OR {   58}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HD1 ))
 ASSI {   59}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HG2 ))
      3.300     1.400     1.400 peak    59 spectrum    1 weight  0.11000E+01 volume  0.20752E-02 ppm1      8.162 ppm2      1.348 CV     1
 OR {   59}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HG1 ))
 ASSI {   60}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA1 ))
      2.200     0.600     0.600 peak    60 spectrum    1 weight  0.11000E+01 volume  0.12234E-01 ppm1      8.265 ppm2      4.148 CV     1
 OR {   60}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA2 ))
 ASSI {   61}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak    61 spectrum    1 weight  0.11000E+01 volume  0.21563E-02 ppm1      8.023 ppm2      4.679 CV     1
 ASSI {   62}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      3.400     1.400     1.400 peak    62 spectrum    1 weight  0.11000E+01 volume  0.10586E-02 ppm1      8.018 ppm2      2.424 CV     1
 ASSI {   63}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      3.100     1.200     1.200 peak    63 spectrum    1 weight  0.11000E+01 volume  0.12943E-02 ppm1      8.018 ppm2      2.344 CV     1
 ASSI {   64}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.800     1.800     1.800 peak    64 spectrum    1 weight  0.11000E+01 volume  0.12254E-02 ppm1      8.017 ppm2      2.036 CV     1
 ASSI {   65}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak    65 spectrum    1 weight  0.11000E+01 volume  0.56562E-02 ppm1      8.018 ppm2      1.739 CV     1
 ASSI {   66}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      2.700     0.900     0.900 peak    66 spectrum    1 weight  0.11000E+01 volume  0.43455E-02 ppm1      8.010 ppm2      4.165 CV     1
 ASSI {   67}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
      2.200     0.600     0.600 peak    67 spectrum    1 weight  0.11000E+01 volume  0.11469E-01 ppm1      8.010 ppm2      3.840 CV     1
 ASSI {   68}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.500     0.800     0.800 peak    68 spectrum    1 weight  0.11000E+01 volume  0.55200E-02 ppm1      7.933 ppm2      4.605 CV     1
 ASSI {   69}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      4.000     2.000     2.000 peak    69 spectrum    1 weight  0.11000E+01 volume  0.10129E-02 ppm1      7.932 ppm2      3.136 CV     1
 ASSI {   70}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.900     1.000     1.000 peak    70 spectrum    1 weight  0.11000E+01 volume  0.17875E-02 ppm1      7.932 ppm2      3.061 CV     1
 ASSI {   71}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.000     1.100     1.100 peak    71 spectrum    1 weight  0.11000E+01 volume  0.11267E-02 ppm1      7.866 ppm2      2.208 CV     1
 ASSI {   72}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HD1%)
      3.400     3.400     2.600 peak    72 spectrum    1 weight  0.11000E+01 volume  0.17865E-02 ppm1      7.867 ppm2      0.959 CV     1
 ASSI {   73}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.800     1.000     1.000 peak    73 spectrum    1 weight  0.11000E+01 volume  0.27619E-02 ppm1      7.806 ppm2      4.835 CV     1
 ASSI {   74}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HD1 ))
      3.300     1.400     1.400 peak    74 spectrum    1 weight  0.11000E+01 volume  0.36124E-02 ppm1      7.807 ppm2      1.733 CV     1
 OR {   74}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HD2 ))
 ASSI {   75}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.900     1.100     1.100 peak    75 spectrum    1 weight  0.11000E+01 volume  0.31561E-02 ppm1      7.807 ppm2      1.792 CV     1
 OR {   75}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI {   76}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG2 ))
      3.300     1.400     1.400 peak    76 spectrum    1 weight  0.11000E+01 volume  0.94645E-03 ppm1      7.804 ppm2      1.435 CV     1
 OR {   76}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG1 ))
 ASSI {   77}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.600     0.900     0.900 peak    77 spectrum    1 weight  0.11000E+01 volume  0.50241E-02 ppm1      7.515 ppm2      4.619 CV     1
 ASSI {   80}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.000     1.100     1.100 peak    80 spectrum    1 weight  0.11000E+01 volume  0.19930E-02 ppm1      7.411 ppm2      4.212 CV     1
 ASSI {   81}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.800     1.800     1.800 peak    81 spectrum    1 weight  0.11000E+01 volume  0.13060E-02 ppm1      7.411 ppm2      2.591 CV     1
 ASSI {   82}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.200     0.600     0.600 peak    82 spectrum    1 weight  0.11000E+01 volume  0.67005E-02 ppm1      7.411 ppm2      2.489 CV     1
 ASSI {   83}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      2.400     0.700     0.700 peak    83 spectrum    1 weight  0.11000E+01 volume  0.66477E-02 ppm1      7.411 ppm2      2.232 CV     1
 OR {   83}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
 ASSI {   84}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.400     1.400 peak    84 spectrum    1 weight  0.11000E+01 volume  0.12464E-02 ppm1      7.341 ppm2      4.515 CV     1
 ASSI {   85}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HB% )
      2.500     0.800     0.800 peak    85 spectrum    1 weight  0.11000E+01 volume  0.67463E-02 ppm1      7.339 ppm2      1.511 CV     1
 ASSI {   86}
   (( segid "    " and resid 5    and name HE  ))
   (( segid "    " and resid 5    and name HD2 ))
      5.400     3.600     0.600 peak    86 spectrum    1 weight  0.11000E+01 volume  0.61934E-04 ppm1      7.245 ppm2      3.239 CV     1
 OR {   86}
   (( segid "    " and resid 5    and name HE  ))
   (( segid "    " and resid 5    and name HD1 ))
 ASSI {   87}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.700     0.900     0.900 peak    87 spectrum    1 weight  0.11000E+01 volume  0.27173E-02 ppm1      7.223 ppm2      4.001 CV     1
 ASSI {   89}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG  ))
      2.900     2.900     3.100 peak    89 spectrum    1 weight  0.11000E+01 volume  0.54019E-02 ppm1      7.223 ppm2      1.689 CV     1
 ASSI {   90}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 8    and name HD1%)
      5.400     3.700     0.600 peak    90 spectrum    1 weight  0.11000E+01 volume  0.17023E-03 ppm1      7.223 ppm2      1.014 CV     1
 ASSI {   91}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 8    and name HD2%)
      4.900     3.000     1.100 peak    91 spectrum    1 weight  0.11000E+01 volume  0.38118E-03 ppm1      7.223 ppm2      0.889 CV     1
 ASSI {   92}
   (( segid "    " and resid 17   and name HE  ))
   (( segid "    " and resid 17   and name HD1 ))
      3.400     3.400     2.600 peak    92 spectrum    1 weight  0.11000E+01 volume  0.86690E-03 ppm1      6.954 ppm2      2.934 CV     1
 OR {   92}
   (( segid "    " and resid 17   and name HE  ))
   (( segid "    " and resid 17   and name HD2 ))
 ASSI {   94}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HG12))
      2.900     1.000     1.000 peak    94 spectrum    1 weight  0.11000E+01 volume  0.18779E-02 ppm1      7.868 ppm2      1.307 CV     1
 OR {   94}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HG11))
 ASSI {   95}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.800     1.000     1.000 peak    95 spectrum    1 weight  0.11000E+01 volume  0.19747E-02 ppm1      9.635 ppm2      4.519 CV     1
 ASSI {   96}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HE1 ))
      3.100     1.200     1.200 peak    96 spectrum    1 weight  0.11000E+01 volume  0.19109E-02 ppm1      9.635 ppm2      3.014 CV     1
 OR {   96}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HE2 ))
 ASSI {   97}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HG1 ))
      2.700     0.900     0.900 peak    97 spectrum    1 weight  0.11000E+01 volume  0.26104E-02 ppm1      9.635 ppm2      1.915 CV     1
 ASSI {   98}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HD2 ))
      3.600     1.600     1.600 peak    98 spectrum    1 weight  0.11000E+01 volume  0.10884E-02 ppm1      9.635 ppm2      1.708 CV     1
 OR {   98}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HD1 ))
 ASSI {   99}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
      3.100     1.200     1.200 peak    99 spectrum    1 weight  0.11000E+01 volume  0.16952E-02 ppm1      9.634 ppm2      1.517 CV     1
 ASSI {  100}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      2.600     0.900     0.900 peak   100 spectrum    1 weight  0.11000E+01 volume  0.39362E-02 ppm1      9.635 ppm2      1.844 CV     1
 ASSI {  101}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HB  ))
      2.900     1.000     1.000 peak   101 spectrum    1 weight  0.11000E+01 volume  0.19773E-02 ppm1      1.172 ppm2      2.194 CV     1
 ASSI {  102}
   (( segid "    " and resid 17   and name HE  ))
   (( segid "    " and resid 17   and name HB2 ))
      4.600     2.600     1.400 peak   102 spectrum    1 weight  0.11000E+01 volume  0.16931E-03 ppm1      6.954 ppm2      1.341 CV     1
 ASSI {  103}
   (( segid "    " and resid 17   and name HE  ))
   (( segid "    " and resid 17   and name HB1 ))
      4.800     2.900     1.200 peak   103 spectrum    1 weight  0.11000E+01 volume  0.12088E-03 ppm1      6.954 ppm2      1.410 CV     1
 ASSI {  104}
   (( segid "    " and resid 17   and name HE  ))
   (( segid "    " and resid 17   and name HG1 ))
      3.300     1.400     1.400 peak   104 spectrum    1 weight  0.11000E+01 volume  0.13031E-02 ppm1      6.955 ppm2      1.167 CV     1
 OR {  104}
   (( segid "    " and resid 17   and name HE  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  106}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HE1 ))
      4.800     2.900     1.200 peak   106 spectrum    1 weight  0.11000E+01 volume  0.33610E-03 ppm1      8.418 ppm2      2.990 CV     1
 OR {  106}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HE2 ))
 ASSI {  107}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HG2 ))
      2.900     1.100     1.100 peak   107 spectrum    1 weight  0.11000E+01 volume  0.14352E-02 ppm1      9.633 ppm2      1.455 CV     1
 ASSI {  108}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.200     0.600     0.600 peak   108 spectrum    1 weight  0.11000E+01 volume  0.97159E-02 ppm1      8.673 ppm2      5.343 CV     1
 ASSI {  109}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.800     1.000     1.000 peak   109 spectrum    1 weight  0.11000E+01 volume  0.39034E-02 ppm1      8.671 ppm2      2.981 CV     1
 ASSI {  110}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      4.300     2.300     1.700 peak   110 spectrum    1 weight  0.11000E+01 volume  0.65590E-03 ppm1      8.673 ppm2      2.732 CV     1
 ASSI {  111}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.500     1.500     1.500 peak   111 spectrum    1 weight  0.11000E+01 volume  0.95770E-03 ppm1      8.010 ppm2      4.516 CV     1
 ASSI {  112}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HB% )
      2.900     1.000     1.000 peak   112 spectrum    1 weight  0.11000E+01 volume  0.23221E-02 ppm1      8.015 ppm2      1.515 CV     1
 ASSI {  113}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.800     1.800     1.800 peak   113 spectrum    1 weight  0.11000E+01 volume  0.54725E-03 ppm1      7.341 ppm2      4.451 CV     1
 ASSI {  114}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      3.200     1.300     1.300 peak   114 spectrum    1 weight  0.11000E+01 volume  0.19525E-02 ppm1      7.338 ppm2      2.917 CV     1
 OR {  114}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  115}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak   115 spectrum    1 weight  0.11000E+01 volume  0.18667E-02 ppm1      8.840 ppm2      4.290 CV     1
 ASSI {  116}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.800     1.800     1.800 peak   116 spectrum    1 weight  0.11000E+01 volume  0.94609E-03 ppm1      8.839 ppm2      1.517 CV     1
 ASSI {  117}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.700     1.700     1.700 peak   117 spectrum    1 weight  0.11000E+01 volume  0.81451E-03 ppm1      8.837 ppm2      1.442 CV     1
 ASSI {  118}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.600     1.600     1.600 peak   118 spectrum    1 weight  0.11000E+01 volume  0.10198E-02 ppm1      8.409 ppm2      4.624 CV     1
 ASSI {  119}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.200     1.300     1.300 peak   119 spectrum    1 weight  0.11000E+01 volume  0.26124E-02 ppm1      8.410 ppm2      2.848 CV     1
 ASSI {  120}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.400     1.400     1.400 peak   120 spectrum    1 weight  0.11000E+01 volume  0.71132E-03 ppm1      8.410 ppm2      2.551 CV     1
 ASSI {  122}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.100     3.100     2.900 peak   122 spectrum    1 weight  0.11000E+01 volume  0.13810E-02 ppm1      4.303 ppm2      2.274 CV     1
 ASSI {  123}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      4.300     4.300     1.700 peak   123 spectrum    1 weight  0.11000E+01 volume  0.50400E-03 ppm1      4.293 ppm2      1.772 CV     1
 ASSI {  124}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HD1 ))
      4.500     4.500     1.500 peak   124 spectrum    1 weight  0.11000E+01 volume  0.23285E-03 ppm1      4.303 ppm2      3.596 CV     1
 OR {  124}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HD2 ))
 ASSI {  125}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HD2 ))
      3.400     3.400     2.600 peak   125 spectrum    1 weight  0.11000E+01 volume  0.88618E-03 ppm1      7.516 ppm2      3.597 CV     1
 OR {  125}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  125}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HD1 ))
 ASSI {  128}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.500     1.500 peak   128 spectrum    1 weight  0.11000E+01 volume  0.10737E-02 ppm1      7.337 ppm2      4.617 CV     1
 ASSI {  129}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      4.700     2.700     1.300 peak   129 spectrum    1 weight  0.11000E+01 volume  0.21617E-03 ppm1      7.336 ppm2      4.286 CV     1
 ASSI {  130}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.400     1.400     1.400 peak   130 spectrum    1 weight  0.11000E+01 volume  0.10680E-02 ppm1      8.815 ppm2      4.004 CV     1
 ASSI {  143}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.500     1.500     1.500 peak   143 spectrum    1 weight  0.11000E+01 volume  0.73403E-03 ppm1      8.155 ppm2      4.216 CV     1
 ASSI {  144}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HD1 ))
      5.800     4.300     0.200 peak   144 spectrum    1 weight  0.11000E+01 volume  0.68570E-04 ppm1      8.650 ppm2      3.231 CV     1
 OR {  144}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HD2 ))
 ASSI {  145}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HG1 ))
      4.300     2.400     1.700 peak   145 spectrum    1 weight  0.11000E+01 volume  0.30916E-03 ppm1      9.547 ppm2      2.335 CV     1
 ASSI {  147}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.200     0.600     0.600 peak   147 spectrum    1 weight  0.11000E+01 volume  0.13501E-01 ppm1      9.138 ppm2      4.904 CV     1
 ASSI {  148}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      4.200     2.200     1.800 peak   148 spectrum    1 weight  0.11000E+01 volume  0.92817E-03 ppm1      9.139 ppm2      3.284 CV     1
 ASSI {  149}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      4.400     2.400     1.600 peak   149 spectrum    1 weight  0.11000E+01 volume  0.58006E-03 ppm1      9.134 ppm2      3.137 CV     1
 ASSI {  150}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HB2 ))
      1.300     0.200     0.900 peak   150 spectrum    1 weight  0.11000E+01 volume  0.85441E-01 ppm1      2.863 ppm2      2.566 CV     1
 ASSI {  151}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.100     0.500     0.500 peak   151 spectrum    1 weight  0.11000E+01 volume  0.14884E-01 ppm1      9.448 ppm2      5.060 CV     1
 ASSI {  152}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      4.800     2.900     1.200 peak   152 spectrum    1 weight  0.11000E+01 volume  0.48400E-03 ppm1      9.446 ppm2      2.864 CV     1
 ASSI {  153}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.900     1.100     1.100 peak   153 spectrum    1 weight  0.11000E+01 volume  0.19056E-02 ppm1      9.447 ppm2      2.572 CV     1
 ASSI {  154}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA2 ))
      3.100     1.200     1.200 peak   154 spectrum    1 weight  0.11000E+01 volume  0.22649E-02 ppm1      7.804 ppm2      4.149 CV     1
 OR {  154}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA1 ))
 ASSI {  156}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      3.200     1.300     1.300 peak   156 spectrum    1 weight  0.11000E+01 volume  0.17426E-02 ppm1      4.375 ppm2      2.761 CV     1
 ASSI {  157}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.800     1.000     1.000 peak   157 spectrum    1 weight  0.11000E+01 volume  0.36168E-02 ppm1      8.264 ppm2      4.370 CV     1
 ASSI {  158}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.100     0.500     0.500 peak   158 spectrum    1 weight  0.11000E+01 volume  0.16515E-01 ppm1      9.048 ppm2      4.836 CV     1
 ASSI {  159}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      2.000     0.500     0.500 peak   159 spectrum    1 weight  0.11000E+01 volume  0.99221E-02 ppm1      9.635 ppm2      4.249 CV     1
 ASSI {  160}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB1 ))
      3.300     1.400     1.400 peak   160 spectrum    1 weight  0.11000E+01 volume  0.43001E-02 ppm1      9.635 ppm2      3.221 CV     1
 ASSI {  164}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      1.700     0.300     0.500 peak   164 spectrum    1 weight  0.11000E+01 volume  0.14677E-01 ppm1      7.866 ppm2      9.646 CV     1
 ASSI {  165}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.600     1.600     1.600 peak   165 spectrum    1 weight  0.11000E+01 volume  0.88993E-03 ppm1      7.867 ppm2      4.518 CV     1
 ASSI {  166}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      4.800     2.800     1.200 peak   166 spectrum    1 weight  0.11000E+01 volume  0.65515E-03 ppm1      7.866 ppm2      4.246 CV     1
 ASSI {  167}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      3.100     1.200     1.200 peak   167 spectrum    1 weight  0.11000E+01 volume  0.16341E-02 ppm1      7.865 ppm2      1.839 CV     1
 ASSI {  168}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HG1 ))
      3.500     1.600     1.600 peak   168 spectrum    1 weight  0.11000E+01 volume  0.97043E-03 ppm1      7.866 ppm2      1.915 CV     1
 ASSI {  169}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.100     0.500     0.500 peak   169 spectrum    1 weight  0.11000E+01 volume  0.70050E-02 ppm1      8.155 ppm2      7.229 CV     1
 ASSI {  172}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.900     0.900 peak   172 spectrum    1 weight  0.11000E+01 volume  0.26524E-02 ppm1      7.223 ppm2      8.828 CV     1
 ASSI {  173}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.400     0.700     0.700 peak   173 spectrum    1 weight  0.11000E+01 volume  0.52605E-02 ppm1      8.154 ppm2      7.419 CV     1
 ASSI {  175}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      4.900     3.000     1.100 peak   175 spectrum    1 weight  0.11000E+01 volume  0.23476E-03 ppm1      7.223 ppm2      4.212 CV     1
 ASSI {  176}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.400     1.500     1.500 peak   176 spectrum    1 weight  0.11000E+01 volume  0.17544E-02 ppm1      9.276 ppm2      4.150 CV     1
 ASSI {  177}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.200     0.600     0.600 peak   177 spectrum    1 weight  0.11000E+01 volume  0.10200E-01 ppm1      9.276 ppm2      4.909 CV     1
 ASSI {  178}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      2.800     1.000     1.000 peak   178 spectrum    1 weight  0.11000E+01 volume  0.54699E-02 ppm1      9.276 ppm2      2.197 CV     1
 ASSI {  179}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 3    and name HD1%)
      4.300     2.300     1.700 peak   179 spectrum    1 weight  0.11000E+01 volume  0.17260E-02 ppm1      9.275 ppm2      0.957 CV     1
 ASSI {  180}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.300     0.700     0.700 peak   180 spectrum    1 weight  0.11000E+01 volume  0.74808E-02 ppm1      8.650 ppm2      4.116 CV     1
 ASSI {  181}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.700     1.700     1.700 peak   181 spectrum    1 weight  0.11000E+01 volume  0.62350E-03 ppm1      8.160 ppm2      2.346 CV     1
 OR {  181}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  182}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG1 ))
      2.500     0.800     0.800 peak   182 spectrum    1 weight  0.11000E+01 volume  0.49942E-02 ppm1      8.650 ppm2      1.939 CV     1
 OR {  182}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG2 ))
 ASSI {  183}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.600     0.900     0.900 peak   183 spectrum    1 weight  0.11000E+01 volume  0.50095E-02 ppm1      8.650 ppm2      1.747 CV     1
 OR {  183}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  184}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      3.000     1.100     1.100 peak   184 spectrum    1 weight  0.11000E+01 volume  0.21583E-02 ppm1      9.276 ppm2      8.661 CV     1
 ASSI {  186}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.300     1.300     1.300 peak   186 spectrum    1 weight  0.11000E+01 volume  0.78866E-03 ppm1      8.650 ppm2      4.027 CV     1
 ASSI {  187}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak   187 spectrum    1 weight  0.11000E+01 volume  0.21053E-02 ppm1      7.411 ppm2      8.660 CV     1
 ASSI {  189}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.600     1.600     1.600 peak   189 spectrum    1 weight  0.11000E+01 volume  0.70632E-03 ppm1      7.410 ppm2      4.120 CV     1
 ASSI {  190}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.100     1.200     1.200 peak   190 spectrum    1 weight  0.11000E+01 volume  0.92945E-03 ppm1      8.154 ppm2      2.484 CV     1
 ASSI {  191}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      4.600     2.600     1.400 peak   191 spectrum    1 weight  0.11000E+01 volume  0.32759E-03 ppm1      8.156 ppm2      2.235 CV     1
 OR {  191}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
 ASSI {  192}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      4.200     2.200     1.800 peak   192 spectrum    1 weight  0.11000E+01 volume  0.29355E-03 ppm1      7.416 ppm2      4.026 CV     1
 ASSI {  193}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.800     1.800     1.800 peak   193 spectrum    1 weight  0.11000E+01 volume  0.37961E-03 ppm1      7.219 ppm2      4.119 CV     1
 ASSI {  194}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.200     1.300     1.300 peak   194 spectrum    1 weight  0.11000E+01 volume  0.15417E-02 ppm1      8.410 ppm2      4.204 CV     1
 ASSI {  196}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG2 ))
      4.100     4.100     1.900 peak   196 spectrum    1 weight  0.11000E+01 volume  0.45865E-03 ppm1      4.304 ppm2      2.107 CV     1
 OR {  196}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG1 ))
 ASSI {  197}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HD2 ))
      2.200     0.600     0.600 peak   197 spectrum    1 weight  0.11000E+01 volume  0.78840E-02 ppm1      8.815 ppm2      3.599 CV     1
 OR {  197}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HD1 ))
 ASSI {  198}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak   198 spectrum    1 weight  0.11000E+01 volume  0.35681E-02 ppm1      8.411 ppm2      7.523 CV     1
 ASSI {  200}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.400     1.400 peak   200 spectrum    1 weight  0.11000E+01 volume  0.28475E-02 ppm1      8.011 ppm2      4.274 CV     1
 ASSI {  201}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak   201 spectrum    1 weight  0.11000E+01 volume  0.32220E-02 ppm1      8.838 ppm2      8.417 CV     1
 ASSI {  203}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     1.000     1.000 peak   203 spectrum    1 weight  0.11000E+01 volume  0.27045E-02 ppm1      7.339 ppm2      8.852 CV     1
 ASSI {  205}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.400     0.700     0.700 peak   205 spectrum    1 weight  0.11000E+01 volume  0.51561E-02 ppm1      8.010 ppm2      7.343 CV     1
 ASSI {  209}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      4.100     2.100     1.900 peak   209 spectrum    1 weight  0.11000E+01 volume  0.38736E-03 ppm1      7.224 ppm2      4.833 CV     1
 ASSI {  216}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.000     1.000 peak   216 spectrum    1 weight  0.11000E+01 volume  0.21465E-02 ppm1      8.251 ppm2      7.937 CV     1
 ASSI {  218}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.900     1.000     1.000 peak   218 spectrum    1 weight  0.11000E+01 volume  0.35768E-02 ppm1      7.933 ppm2      4.211 CV     1
 ASSI {  219}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.000     1.100     1.100 peak   219 spectrum    1 weight  0.11000E+01 volume  0.21733E-02 ppm1      7.932 ppm2      1.407 CV     1
 ASSI {  220}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.800     1.000     1.000 peak   220 spectrum    1 weight  0.11000E+01 volume  0.26400E-02 ppm1      7.933 ppm2      1.337 CV     1
 ASSI {  224}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.000     2.000     2.000 peak   224 spectrum    1 weight  0.11000E+01 volume  0.99760E-03 ppm1      7.760 ppm2      7.937 CV     1
 ASSI {  225}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.500     0.800     0.800 peak   225 spectrum    1 weight  0.11000E+01 volume  0.65861E-02 ppm1      7.762 ppm2      4.605 CV     1
 ASSI {  226}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      2.400     0.700     0.700 peak   226 spectrum    1 weight  0.11000E+01 volume  0.44999E-02 ppm1      7.762 ppm2      3.143 CV     1
 ASSI {  227}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.500     1.500     1.500 peak   227 spectrum    1 weight  0.11000E+01 volume  0.39639E-02 ppm1      7.762 ppm2      3.061 CV     1
 ASSI {  228}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
      2.700     0.900     0.900 peak   228 spectrum    1 weight  0.11000E+01 volume  0.30151E-02 ppm1      8.380 ppm2      3.720 CV     1
 OR {  228}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
 ASSI {  230}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak   230 spectrum    1 weight  0.11000E+01 volume  0.28709E-02 ppm1      9.448 ppm2      8.385 CV     1
 ASSI {  231}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      5.300     3.500     0.700 peak   231 spectrum    1 weight  0.11000E+01 volume  0.30810E-03 ppm1      8.374 ppm2      5.343 CV     1
 ASSI {  232}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.000     0.500     0.500 peak   232 spectrum    1 weight  0.11000E+01 volume  0.12123E-01 ppm1      8.778 ppm2      4.641 CV     1
 ASSI {  233}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HB2 ))
      1.500     0.300     0.700 peak   233 spectrum    1 weight  0.11000E+01 volume  0.38669E-01 ppm1      2.745 ppm2      2.522 CV     1
 ASSI {  234}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.000     0.500     0.500 peak   234 spectrum    1 weight  0.11000E+01 volume  0.16599E-01 ppm1      9.083 ppm2      4.843 CV     1
 ASSI {  235}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.800     1.000     1.000 peak   235 spectrum    1 weight  0.11000E+01 volume  0.24868E-02 ppm1      7.805 ppm2      9.089 CV     1
 ASSI {  237}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      4.200     2.200     1.800 peak   237 spectrum    1 weight  0.11000E+01 volume  0.63656E-03 ppm1      9.081 ppm2      5.057 CV     1
 ASSI {  238}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      4.600     2.700     1.400 peak   238 spectrum    1 weight  0.11000E+01 volume  0.54956E-03 ppm1      9.445 ppm2      4.845 CV     1
 ASSI {  239}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.200     0.600     0.600 peak   239 spectrum    1 weight  0.11000E+01 volume  0.12254E-01 ppm1      9.546 ppm2      4.705 CV     1
 ASSI {  240}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      4.200     2.200     1.800 peak   240 spectrum    1 weight  0.11000E+01 volume  0.38752E-03 ppm1      9.079 ppm2      2.735 CV     1
 ASSI {  241}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      4.500     2.500     1.500 peak   241 spectrum    1 weight  0.11000E+01 volume  0.43024E-03 ppm1      9.078 ppm2      2.526 CV     1
 ASSI {  243}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.900     1.000     1.000 peak   243 spectrum    1 weight  0.11000E+01 volume  0.27026E-02 ppm1      9.546 ppm2      8.273 CV     1
 ASSI {  244}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.000     1.000 peak   244 spectrum    1 weight  0.11000E+01 volume  0.22419E-02 ppm1      7.807 ppm2      8.277 CV     1
 ASSI {  247}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      3.400     1.500     1.500 peak   247 spectrum    1 weight  0.11000E+01 volume  0.81014E-03 ppm1      7.933 ppm2      8.680 CV     1
 ASSI {  248}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
      2.500     0.800     0.800 peak   248 spectrum    1 weight  0.11000E+01 volume  0.50887E-02 ppm1      3.152 ppm2      4.602 CV     1
 ASSI {  249}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.300     0.700     0.700 peak   249 spectrum    1 weight  0.11000E+01 volume  0.59414E-02 ppm1      8.255 ppm2      4.676 CV     1
 ASSI {  250}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.400     1.500     1.500 peak   250 spectrum    1 weight  0.11000E+01 volume  0.21946E-02 ppm1      8.256 ppm2      1.742 CV     1
 ASSI {  251}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.800     1.000     1.000 peak   251 spectrum    1 weight  0.11000E+01 volume  0.13763E-02 ppm1      7.865 ppm2      2.497 CV     1
 ASSI {  260}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 18   and name HA  ))
      2.800     1.000     1.000 peak   260 spectrum    1 weight  0.11000E+01 volume  0.28599E-02 ppm1      7.125 ppm2      4.604 CV     1
 ASSI {  262}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 18   and name HN  ))
      3.600     1.600     1.600 peak   262 spectrum    1 weight  0.11000E+01 volume  0.78993E-03 ppm1      7.129 ppm2      7.941 CV     1
 ASSI {  264}
   (( segid "    " and resid 30   and name HD1 ))
   (  segid "    " and resid 29   and name HG2%)
      2.300     2.300     3.700 peak   264 spectrum    1 weight  0.11000E+01 volume  0.13177E-02 ppm1      3.878 ppm2      1.281 CV     1
 OR {  264}
   (( segid "    " and resid 30   and name HD2 ))
   (  segid "    " and resid 29   and name HG2%)
 ASSI {  266}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HG1 ))
      1.800     0.400     0.400 peak   266 spectrum    1 weight  0.11000E+01 volume  0.43020E-01 ppm1      2.356 ppm2      2.053 CV     1
 OR {  266}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  266}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  266}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HG1 ))
 ASSI {  267}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HE2 ))
      4.100     2.100     1.900 peak   267 spectrum    1 weight  0.11000E+01 volume  0.55140E-03 ppm1      4.062 ppm2      2.941 CV     1
 OR {  267}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HE1 ))
 ASSI {  268}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak   268 spectrum    1 weight  0.11000E+01 volume  0.29117E-02 ppm1      2.865 ppm2      5.056 CV     1
 ASSI {  270}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.000     1.100     1.100 peak   270 spectrum    1 weight  0.11000E+01 volume  0.20454E-02 ppm1      8.650 ppm2      2.196 CV     1
 ASSI {  272}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 1    and name HA  ))
      2.400     0.700     0.700 peak   272 spectrum    1 weight  0.11000E+01 volume  0.66566E-02 ppm1      3.225 ppm2      4.250 CV     1
 ASSI {  275}
   (( segid "    " and resid 2    and name HE1 ))
   (( segid "    " and resid 2    and name HD2 ))
      2.300     0.700     0.700 peak   275 spectrum    1 weight  0.11000E+01 volume  0.96912E-02 ppm1      2.996 ppm2      1.719 CV     1
 OR {  275}
   (( segid "    " and resid 2    and name HE2 ))
   (( segid "    " and resid 2    and name HD1 ))
 OR {  275}
   (( segid "    " and resid 2    and name HE1 ))
   (( segid "    " and resid 2    and name HD1 ))
 OR {  275}
   (( segid "    " and resid 2    and name HE2 ))
   (( segid "    " and resid 2    and name HD2 ))
 ASSI {  277}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HG1 ))
      2.400     0.700     0.700 peak   277 spectrum    1 weight  0.11000E+01 volume  0.60062E-02 ppm1      3.601 ppm2      2.104 CV     1
 OR {  277}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 10   and name HG2 ))
 OR {  277}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 10   and name HG1 ))
 OR {  277}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HG2 ))
 ASSI {  278}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HB2 ))
      3.200     1.300     1.300 peak   278 spectrum    1 weight  0.11000E+01 volume  0.15752E-02 ppm1      3.601 ppm2      1.772 CV     1
 OR {  278}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  282}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.900     1.100     1.100 peak   282 spectrum    1 weight  0.11000E+01 volume  0.10778E-02 ppm1      9.634 ppm2      2.489 CV     1
 ASSI {  283}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
      3.200     1.300     1.300 peak   283 spectrum    1 weight  0.11000E+01 volume  0.13499E-02 ppm1      9.635 ppm2      2.223 CV     1
 OR {  283}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  287}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HB1 ))
      2.600     0.800     0.800 peak   287 spectrum    1 weight  0.11000E+01 volume  0.58773E-02 ppm1      3.243 ppm2      1.747 CV     1
 OR {  287}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 5    and name HB1 ))
 OR {  287}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  287}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  294}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.000     1.000 peak   294 spectrum    1 weight  0.11000E+01 volume  0.29981E-02 ppm1      2.495 ppm2      4.208 CV     1
 ASSI {  296}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      2.900     1.000     1.000 peak   296 spectrum    1 weight  0.11000E+01 volume  0.20142E-02 ppm1      2.857 ppm2      4.619 CV     1
 ASSI {  297}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      2.800     1.000     1.000 peak   297 spectrum    1 weight  0.11000E+01 volume  0.46752E-02 ppm1      2.550 ppm2      4.618 CV     1
 ASSI {  299}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.200     0.600     0.600 peak   299 spectrum    1 weight  0.11000E+01 volume  0.80730E-02 ppm1      8.255 ppm2      2.039 CV     1
 ASSI {  300}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.400     1.500     1.500 peak   300 spectrum    1 weight  0.11000E+01 volume  0.78672E-03 ppm1      7.934 ppm2      2.046 CV     1
 ASSI {  301}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      4.200     2.200     1.800 peak   301 spectrum    1 weight  0.10000E+01 volume  0.49275E-03 ppm1      7.932 ppm2      1.187 CV     1
 OR {  301}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {  302}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      4.500     2.600     1.500 peak   302 spectrum    1 weight  0.11000E+01 volume  0.25045E-03 ppm1      8.004 ppm2      4.447 CV     1
 ASSI {  303}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 10   and name HD2 ))
      3.500     1.500     1.500 peak   303 spectrum    1 weight  0.11000E+01 volume  0.74218E-03 ppm1      7.222 ppm2      3.595 CV     1
 OR {  303}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 10   and name HD1 ))
 ASSI {  304}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      4.300     2.400     1.700 peak   304 spectrum    1 weight  0.11000E+01 volume  0.39615E-03 ppm1      7.220 ppm2      2.680 CV     1
 ASSI {  305}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 3    and name HG12))
      3.300     1.300     1.300 peak   305 spectrum    1 weight  0.11000E+01 volume  0.33478E-02 ppm1      7.411 ppm2      1.307 CV     1
 OR {  305}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 3    and name HG11))
 ASSI {  306}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      4.300     2.300     1.700 peak   306 spectrum    1 weight  0.11000E+01 volume  0.53698E-03 ppm1      7.413 ppm2      1.152 CV     1
 ASSI {  307}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 3    and name HD1%)
      4.400     2.500     1.600 peak   307 spectrum    1 weight  0.11000E+01 volume  0.54417E-03 ppm1      7.411 ppm2      0.953 CV     1
 ASSI {  308}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
      4.100     2.100     1.900 peak   308 spectrum    1 weight  0.11000E+01 volume  0.46112E-03 ppm1      9.548 ppm2      2.278 CV     1
 ASSI {  309}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   309 spectrum    1 weight  0.11000E+01 volume  0.11110E-02 ppm1      8.254 ppm2      4.594 CV     1
 ASSI {  310}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.400     0.700     0.700 peak   310 spectrum    1 weight  0.11000E+01 volume  0.56560E-02 ppm1      8.159 ppm2      4.599 CV     1
 ASSI {  311}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HD2 ))
      2.600     2.600     3.400 peak   311 spectrum    1 weight  0.11000E+01 volume  0.73735E-03 ppm1      8.159 ppm2      3.872 CV     1
 OR {  311}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HD1 ))
 ASSI {  312}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      3.300     1.300     1.300 peak   312 spectrum    1 weight  0.11000E+01 volume  0.11723E-02 ppm1      9.277 ppm2      2.738 CV     1
 ASSI {  313}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      4.200     2.200     1.800 peak   313 spectrum    1 weight  0.11000E+01 volume  0.73018E-03 ppm1      9.277 ppm2      2.525 CV     1
 ASSI {  314}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 6    and name HB1 ))
      2.400     0.700     0.700 peak   314 spectrum    1 weight  0.11000E+01 volume  0.39836E-02 ppm1      7.757 ppm2      2.597 CV     1
 ASSI {  315}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 6    and name HB2 ))
      5.000     3.100     1.000 peak   315 spectrum    1 weight  0.11000E+01 volume  0.20420E-03 ppm1      7.757 ppm2      2.498 CV     1
 ASSI {  316}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 6    and name HG1 ))
      3.000     1.200     1.200 peak   316 spectrum    1 weight  0.11000E+01 volume  0.15099E-02 ppm1      7.759 ppm2      2.235 CV     1
 OR {  316}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  317}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      3.300     1.300     1.300 peak   317 spectrum    1 weight  0.11000E+01 volume  0.24964E-02 ppm1      8.160 ppm2      2.058 CV     1
 ASSI {  318}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HD2 ))
      3.000     1.100     1.100 peak   318 spectrum    1 weight  0.11000E+01 volume  0.35905E-02 ppm1      8.818 ppm2      1.666 CV     1
 OR {  318}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HD1 ))
 ASSI {  320}
   (( segid "    " and resid 3    and name HG11))
   (  segid "    " and resid 3    and name HD1%)
      2.200     0.600     0.600 peak   320 spectrum    1 weight  0.11000E+01 volume  0.12173E-01 ppm1      1.325 ppm2      0.945 CV     1
 OR {  320}
   (( segid "    " and resid 3    and name HG12))
   (  segid "    " and resid 3    and name HD1%)
 ASSI {  322}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HD1 ))
      3.800     1.800     1.800 peak   322 spectrum    1 weight  0.11000E+01 volume  0.46929E-03 ppm1      9.445 ppm2      7.302 CV     1
 ASSI {  323}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 17   and name HB1 ))
      3.500     1.500     1.500 peak   323 spectrum    1 weight  0.11000E+01 volume  0.64230E-03 ppm1      7.125 ppm2      1.414 CV     1
 ASSI {  324}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      3.300     1.400     1.400 peak   324 spectrum    1 weight  0.11000E+01 volume  0.12595E-02 ppm1      7.410 ppm2      1.742 CV     1
 OR {  324}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  326}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 27   and name HD1 ))
      4.000     2.000     2.000 peak   326 spectrum    1 weight  0.11000E+01 volume  0.69882E-03 ppm1      9.079 ppm2      7.302 CV     1
 ASSI {  327}
   (( segid "    " and resid 2    and name HG1 ))
   (( segid "    " and resid 2    and name HA  ))
      3.600     1.600     1.600 peak   327 spectrum    1 weight  0.11000E+01 volume  0.11098E-02 ppm1      1.915 ppm2      4.519 CV     1
 ASSI {  328}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 2    and name HA  ))
      2.300     0.600     0.600 peak   328 spectrum    1 weight  0.11000E+01 volume  0.92052E-02 ppm1      1.524 ppm2      4.517 CV     1
 ASSI {  329}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
      3.200     1.300     1.300 peak   329 spectrum    1 weight  0.11000E+01 volume  0.18497E-02 ppm1      1.848 ppm2      4.519 CV     1
 ASSI {  331}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 3    and name HA  ))
      4.800     2.900     1.200 peak   331 spectrum    1 weight  0.11000E+01 volume  0.33078E-03 ppm1      0.945 ppm2      4.907 CV     1
 ASSI {  332}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 5    and name HA  ))
      4.900     3.000     1.100 peak   332 spectrum    1 weight  0.11000E+01 volume  0.29998E-03 ppm1      3.231 ppm2      4.116 CV     1
 OR {  332}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  336}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.800     0.800 peak   336 spectrum    1 weight  0.11000E+01 volume  0.39888E-02 ppm1      3.073 ppm2      4.834 CV     1
 ASSI {  345}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
      1.700     0.400     0.500 peak   345 spectrum    1 weight  0.10000E+01 volume  0.24989E-01 ppm1      2.302 ppm2      1.770 CV     1
 ASSI {  346}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HB1 ))
      1.900     0.400     0.400 peak   346 spectrum    1 weight  0.11000E+01 volume  0.27579E-01 ppm1      2.113 ppm2      2.271 CV     1
 OR {  346}
   (( segid "    " and resid 10   and name HG1 ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI {  347}
   (( segid "    " and resid 10   and name HG1 ))
   (( segid "    " and resid 10   and name HB2 ))
      2.300     0.700     0.700 peak   347 spectrum    1 weight  0.11000E+01 volume  0.90653E-02 ppm1      2.115 ppm2      1.772 CV     1
 OR {  347}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  352}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HA  ))
      3.400     1.400     1.400 peak   352 spectrum    1 weight  0.11000E+01 volume  0.16945E-02 ppm1      2.433 ppm2      4.680 CV     1
 ASSI {  353}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak   353 spectrum    1 weight  0.11000E+01 volume  0.30854E-02 ppm1      2.353 ppm2      4.680 CV     1
 ASSI {  354}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.500     0.800     0.800 peak   354 spectrum    1 weight  0.11000E+01 volume  0.38081E-02 ppm1      2.051 ppm2      4.678 CV     1
 ASSI {  358}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      3.000     1.100     1.100 peak   358 spectrum    1 weight  0.11000E+01 volume  0.17669E-02 ppm1      1.725 ppm2      4.639 CV     1
 OR {  358}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  359}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HA  ))
      2.700     0.900     0.900 peak   359 spectrum    1 weight  0.11000E+01 volume  0.40100E-02 ppm1      2.746 ppm2      4.842 CV     1
 ASSI {  360}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.400     0.700     0.700 peak   360 spectrum    1 weight  0.11000E+01 volume  0.45646E-02 ppm1      2.522 ppm2      4.843 CV     1
 ASSI {  361}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HA  ))
      4.600     2.700     1.400 peak   361 spectrum    1 weight  0.11000E+01 volume  0.20769E-03 ppm1      2.283 ppm2      4.699 CV     1
 ASSI {  363}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      4.000     2.000     2.000 peak   363 spectrum    1 weight  0.11000E+01 volume  0.27057E-03 ppm1      1.664 ppm2      4.695 CV     1
 ASSI {  370}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 1    and name HB1 ))
      3.100     1.200     1.200 peak   370 spectrum    1 weight  0.11000E+01 volume  0.26251E-02 ppm1      2.526 ppm2      3.222 CV     1
 ASSI {  372}
   (  segid "    " and resid 18   and name HD% )
   (  segid "    " and resid 29   and name HG2%)
      3.700     1.700     1.700 peak   372 spectrum    1 weight  0.11000E+01 volume  0.12007E-02 ppm1      7.122 ppm2      1.279 CV     1
 ASSI {  373}
   (( segid "    " and resid 27   and name HD1 ))
   (  segid "    " and resid 29   and name HG2%)
      2.400     2.400     3.600 peak   373 spectrum    1 weight  0.11000E+01 volume  0.10020E-02 ppm1      7.292 ppm2      1.282 CV     1
 ASSI {  374}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 8    and name HD2%)
      2.600     2.600     3.400 peak   374 spectrum    1 weight  0.11000E+01 volume  0.64114E-03 ppm1      7.763 ppm2      0.889 CV     1
 ASSI {  375}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 8    and name HD1%)
      4.100     4.100     1.900 peak   375 spectrum    1 weight  0.11000E+01 volume  0.28611E-03 ppm1      7.764 ppm2      1.012 CV     1
 ASSI {  376}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 1    and name HB1 ))
      4.500     2.500     1.500 peak   376 spectrum    1 weight  0.11000E+01 volume  0.19958E-02 ppm1      7.867 ppm2      3.223 CV     1
 ASSI {  377}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.000     1.100     1.100 peak   377 spectrum    1 weight  0.11000E+01 volume  0.16193E-02 ppm1      8.674 ppm2      2.041 CV     1
 ASSI {  378}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 3    and name HD1%)
      4.200     2.200     1.800 peak   378 spectrum    1 weight  0.11000E+01 volume  0.17753E-02 ppm1      8.651 ppm2      0.957 CV     1
 ASSI {  379}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      3.300     1.400     1.400 peak   379 spectrum    1 weight  0.11000E+01 volume  0.81171E-03 ppm1      8.651 ppm2      1.152 CV     1
 ASSI {  380}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HG12))
      3.600     1.600     1.600 peak   380 spectrum    1 weight  0.11000E+01 volume  0.30133E-02 ppm1      8.651 ppm2      1.307 CV     1
 OR {  380}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HG11))
 ASSI {  381}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      3.400     1.400     1.400 peak   381 spectrum    1 weight  0.11000E+01 volume  0.78205E-03 ppm1      9.276 ppm2      1.151 CV     1
 ASSI {  382}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HG11))
      3.900     1.900     1.900 peak   382 spectrum    1 weight  0.11000E+01 volume  0.16037E-02 ppm1      9.276 ppm2      1.307 CV     1
 OR {  382}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HG12))
 ASSI {  383}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 3    and name HG12))
      3.700     1.700     1.700 peak   383 spectrum    1 weight  0.11000E+01 volume  0.13080E-02 ppm1      9.634 ppm2      1.305 CV     1
 OR {  383}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 3    and name HG11))
 ASSI {  384}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      4.500     4.500     1.500 peak   384 spectrum    1 weight  0.11000E+01 volume  0.89901E-03 ppm1      9.634 ppm2      1.152 CV     1
 ASSI {  385}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 3    and name HD1%)
      4.000     2.000     2.000 peak   385 spectrum    1 weight  0.11000E+01 volume  0.13291E-02 ppm1      9.632 ppm2      0.958 CV     1
 ASSI {  386}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.700     1.700     1.700 peak   386 spectrum    1 weight  0.11000E+01 volume  0.14781E-02 ppm1      9.547 ppm2      1.914 CV     1
 ASSI {  387}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      4.200     2.200     1.800 peak   387 spectrum    1 weight  0.11000E+01 volume  0.12074E-02 ppm1      9.549 ppm2      1.663 CV     1
 ASSI {  388}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HE1 ))
      2.500     2.500     3.500 peak   388 spectrum    1 weight  0.11000E+01 volume  0.77704E-03 ppm1      9.047 ppm2      3.018 CV     1
 OR {  388}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HE2 ))
 ASSI {  389}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.000     1.100     1.100 peak   389 spectrum    1 weight  0.11000E+01 volume  0.34222E-02 ppm1      9.048 ppm2      1.805 CV     1
 OR {  389}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  390}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HG1 ))
      3.500     1.500     1.500 peak   390 spectrum    1 weight  0.11000E+01 volume  0.96328E-03 ppm1      9.049 ppm2      1.415 CV     1
 ASSI {  391}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.000     1.100     1.100 peak   391 spectrum    1 weight  0.11000E+01 volume  0.33074E-02 ppm1      8.778 ppm2      1.728 CV     1
 OR {  391}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI {  392}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      4.500     2.500     1.500 peak   392 spectrum    1 weight  0.11000E+01 volume  0.46075E-03 ppm1      7.416 ppm2      7.240 CV     1
 ASSI {  393}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.800     1.900     1.900 peak   393 spectrum    1 weight  0.11000E+01 volume  0.91517E-03 ppm1      8.779 ppm2      1.330 CV     1
 OR {  393}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI {  395}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.800     2.900     1.200 peak   395 spectrum    1 weight  0.11000E+01 volume  0.39125E-03 ppm1      8.780 ppm2      9.283 CV     1
 ASSI {  397}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     5.100     0.000 peak   397 spectrum    1 weight  0.11000E+01 volume  0.11336E-03 ppm1      9.078 ppm2      9.450 CV     1
 ASSI {  398}
   (( segid "    " and resid 17   and name HH12))
   (( segid "    " and resid 17   and name HH11))
      5.300     3.500     0.700 peak   398 spectrum    1 weight  0.11000E+01 volume  0.28506E-04 ppm1      7.298 ppm2      8.685 CV     1
 ASSI {  400}
   (( segid "    " and resid 6    and name HE22))
   (( segid "    " and resid 6    and name HB1 ))
      4.300     2.300     1.700 peak   400 spectrum    1 weight  0.11000E+01 volume  0.71996E-03 ppm1      7.074 ppm2      2.595 CV     1
 ASSI {  401}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      4.100     2.100     1.900 peak   401 spectrum    1 weight  0.11000E+01 volume  0.31418E-03 ppm1      8.410 ppm2      4.001 CV     1
 ASSI {  403}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      1.700     0.400     0.500 peak   403 spectrum    1 weight  0.11000E+01 volume  0.47351E-02 ppm1      8.779 ppm2      4.023 CV     1
 ASSI {  404}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      4.700     2.800     1.300 peak   404 spectrum    1 weight  0.11000E+01 volume  0.32062E-03 ppm1      8.372 ppm2      3.282 CV     1
 ASSI {  405}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
      3.600     3.600     2.400 peak   405 spectrum    1 weight  0.11000E+01 volume  0.86118E-03 ppm1      4.302 ppm2      2.921 CV     1
 OR {  405}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  406}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      2.600     2.600     3.400 peak   406 spectrum    1 weight  0.11000E+01 volume  0.29059E-02 ppm1      2.923 ppm2      4.302 CV     1
 ASSI {  414}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 18   and name HB2 ))
      3.500     1.500     1.500 peak   414 spectrum    1 weight  0.11000E+01 volume  0.22334E-02 ppm1      3.728 ppm2      3.069 CV     1
 OR {  414}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI {  415}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 19   and name HA1 ))
      2.600     0.900     0.900 peak   415 spectrum    1 weight  0.11000E+01 volume  0.37689E-02 ppm1      3.073 ppm2      3.726 CV     1
 OR {  415}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 19   and name HA2 ))
 ASSI {  420}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 5    and name HG1 ))
      3.800     1.800     1.800 peak   420 spectrum    1 weight  0.11000E+01 volume  0.10464E-02 ppm1      0.952 ppm2      1.938 CV     1
 OR {  420}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 5    and name HG2 ))
 ASSI {  422}
   (  segid "    " and resid 18   and name HD% )
   (  segid "    " and resid 18   and name HE% )
      1.900     0.500     0.500 peak   422 spectrum    1 weight  0.11000E+01 volume  0.21977E-01 ppm1      7.124 ppm2      7.300 CV     1
 ASSI {  424}
   (( segid "    " and resid 6    and name HE22))
   (( segid "    " and resid 6    and name HG1 ))
      4.600     2.600     1.400 peak   424 spectrum    1 weight  0.11000E+01 volume  0.39154E-03 ppm1      7.072 ppm2      2.231 CV     1
 OR {  424}
   (( segid "    " and resid 6    and name HE22))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  425}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HE  ))
      4.400     2.400     1.600 peak   425 spectrum    1 weight  0.11000E+01 volume  0.33619E-03 ppm1      8.253 ppm2      6.967 CV     1
 ASSI {  427}
   (( segid "    " and resid 17   and name HH22))
   (( segid "    " and resid 17   and name HH21))
      3.600     3.600     2.400 peak   427 spectrum    1 weight  0.11000E+01 volume  0.33161E-03 ppm1      6.971 ppm2      7.188 CV     1
 ASSI {  429}
   (( segid "    " and resid 23   and name HD22))
   (( segid "    " and resid 23   and name HD21))
      1.600     0.300     0.600 peak   429 spectrum    1 weight  0.11000E+01 volume  0.53604E-01 ppm1      6.929 ppm2      7.599 CV     1
 ASSI {  431}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 6    and name HE22))
      1.600     0.300     0.600 peak   431 spectrum    1 weight  0.11000E+01 volume  0.46473E-01 ppm1      7.756 ppm2      7.082 CV     1
 ASSI {  436}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 20   and name HA  ))
      3.600     1.600     1.600 peak   436 spectrum    1 weight  0.11000E+01 volume  0.90081E-03 ppm1      4.020 ppm2      4.635 CV     1
 ASSI {  437}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      4.200     2.200     1.800 peak   437 spectrum    1 weight  0.11000E+01 volume  0.32417E-03 ppm1      2.685 ppm2      4.637 CV     1
 ASSI {  438}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      3.800     1.800     1.800 peak   438 spectrum    1 weight  0.11000E+01 volume  0.16684E-02 ppm1      2.685 ppm2      4.018 CV     1
 ASSI {  442}
   (( segid "    " and resid 23   and name HD21))
   (( segid "    " and resid 23   and name HB2 ))
      4.700     2.800     1.300 peak   442 spectrum    1 weight  0.11000E+01 volume  0.12758E-03 ppm1      7.588 ppm2      2.763 CV     1
 ASSI {  443}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HH11))
      4.300     2.400     1.700 peak   443 spectrum    1 weight  0.11000E+01 volume  0.48319E-03 ppm1      8.247 ppm2      8.687 CV     1
 ASSI {  444}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak   444 spectrum    1 weight  0.11000E+01 volume  0.50060E-02 ppm1      1.936 ppm2      4.205 CV     1
 ASSI {  448}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 6    and name HG1 ))
      5.400     3.600     0.600 peak   448 spectrum    1 weight  0.11000E+01 volume  0.49014E-03 ppm1      3.208 ppm2      2.217 CV     1
 OR {  448}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  450}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 19   and name HA2 ))
      4.800     2.900     1.200 peak   450 spectrum    1 weight  0.11000E+01 volume  0.37957E-03 ppm1      2.859 ppm2      3.726 CV     1
 OR {  450}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 19   and name HA1 ))
 ASSI {  451}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 19   and name HA1 ))
      4.200     2.200     1.800 peak   451 spectrum    1 weight  0.11000E+01 volume  0.37065E-03 ppm1      2.991 ppm2      3.726 CV     1
 OR {  451}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 19   and name HA2 ))
 ASSI {  456}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      3.200     1.300     1.300 peak   456 spectrum    1 weight  0.11000E+01 volume  0.17758E-02 ppm1      4.149 ppm2      4.642 CV     1
 ASSI {  458}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 9    and name HG2 ))
      2.600     0.900     0.900 peak   458 spectrum    1 weight  0.11000E+01 volume  0.75996E-02 ppm1      3.600 ppm2      1.934 CV     1
 OR {  458}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 9    and name HG2 ))
 ASSI {  462}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      2.300     2.300     3.700 peak   462 spectrum    1 weight  0.11000E+01 volume  0.14280E-02 ppm1      2.857 ppm2      4.002 CV     1
 ASSI {  464}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 9    and name HA  ))
      3.300     1.300     1.300 peak   464 spectrum    1 weight  0.11000E+01 volume  0.22309E-02 ppm1      3.603 ppm2      4.204 CV     1
 OR {  464}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  465}
   (  segid "    " and resid 8    and name HD2%)
   (( segid "    " and resid 8    and name HG  ))
      2.900     1.100     1.100 peak   465 spectrum    1 weight  0.11000E+01 volume  0.22667E-02 ppm1      0.883 ppm2      1.698 CV     1
 ASSI {  474}
   (( segid "    " and resid 17   and name HE  ))
   (  segid "    " and resid 29   and name HG2%)
      4.300     2.400     1.700 peak   474 spectrum    1 weight  0.11000E+01 volume  0.42670E-03 ppm1      6.955 ppm2      1.281 CV     1
 ASSI {  475}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 6    and name HB2 ))
      3.900     3.900     2.100 peak   475 spectrum    1 weight  0.11000E+01 volume  0.94411E-03 ppm1      3.244 ppm2      2.499 CV     1
 OR {  475}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  476}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      4.900     3.000     1.100 peak   476 spectrum    1 weight  0.11000E+01 volume  0.37434E-03 ppm1      2.865 ppm2      4.837 CV     1
 ASSI {  477}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      4.100     2.100     1.900 peak   477 spectrum    1 weight  0.11000E+01 volume  0.11034E-02 ppm1      2.581 ppm2      4.838 CV     1
 ASSI {  478}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      2.700     2.700     3.300 peak   478 spectrum    1 weight  0.11000E+01 volume  0.48354E-03 ppm1      2.724 ppm2      4.620 CV     1
 ASSI {  479}
   (( segid "    " and resid 6    and name HE22))
   (( segid "    " and resid 2    and name HB2 ))
      3.200     3.200     2.800 peak   479 spectrum    1 weight  0.11000E+01 volume  0.20902E-03 ppm1      7.076 ppm2      1.846 CV     1
 ASSI {  481}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HG1 ))
      3.300     1.400     1.400 peak   481 spectrum    1 weight  0.11000E+01 volume  0.97938E-03 ppm1      2.965 ppm2      1.170 CV     1
 OR {  481}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  481}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  481}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {  483}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 18   and name HB2 ))
      4.400     2.400     1.600 peak   483 spectrum    1 weight  0.11000E+01 volume  0.57579E-03 ppm1      4.092 ppm2      3.054 CV     1
 ASSI {  484}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.900     1.100     1.100 peak   484 spectrum    1 weight  0.11000E+01 volume  0.11009E-02 ppm1      2.856 ppm2      1.744 CV     1
 ASSI {  485}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 3    and name HG12))
      2.700     0.900     0.900 peak   485 spectrum    1 weight  0.11000E+01 volume  0.39598E-02 ppm1      2.229 ppm2      1.304 CV     1
 OR {  485}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 3    and name HG11))
 OR {  485}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 3    and name HG11))
 ASSI {  488}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
      3.700     3.700     2.300 peak   488 spectrum    1 weight  0.11000E+01 volume  0.48732E-03 ppm1      1.340 ppm2      1.929 CV     1
 ASSI {  489}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 16   and name HG1 ))
      5.400     3.600     0.600 peak   489 spectrum    1 weight  0.11000E+01 volume  0.16670E-03 ppm1      1.534 ppm2      2.429 CV     1
 ASSI {  490}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
      4.500     2.600     1.500 peak   490 spectrum    1 weight  0.11000E+01 volume  0.34997E-03 ppm1      1.537 ppm2      4.898 CV     1
 ASSI {  491}
   (  segid "    " and resid 14   and name HB% )
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.500     1.500 peak   491 spectrum    1 weight  0.11000E+01 volume  0.10180E-02 ppm1      1.522 ppm2      4.618 CV     1
 ASSI {  492}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 31   and name HE1 ))
      4.600     2.700     1.400 peak   492 spectrum    1 weight  0.11000E+01 volume  0.23536E-03 ppm1      1.413 ppm2      2.942 CV     1
 OR {  492}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 31   and name HE2 ))
 ASSI {  496}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 20   and name HA  ))
      4.300     2.300     1.700 peak   496 spectrum    1 weight  0.11000E+01 volume  0.71053E-03 ppm1      4.093 ppm2      4.639 CV     1
 ASSI {  497}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HB2 ))
      1.800     0.400     0.400 peak   497 spectrum    1 weight  0.11000E+01 volume  0.21119E-01 ppm1      2.992 ppm2      2.728 CV     1
 ASSI {  499}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 9    and name HD1 ))
      2.700     0.900     0.900 peak   499 spectrum    1 weight  0.11000E+01 volume  0.48354E-02 ppm1      2.933 ppm2      1.665 CV     1
 OR {  499}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 9    and name HD2 ))
 OR {  499}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 9    and name HD2 ))
 ASSI {  503}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.700     0.900     0.900 peak   503 spectrum    1 weight  0.10000E+01 volume  0.57963E-02 ppm1      2.550 ppm2      1.740 CV     1
 ASSI {  506}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 5    and name HB2 ))
      1.800     0.400     0.400 peak   506 spectrum    1 weight  0.10000E+01 volume  0.40674E-01 ppm1      1.952 ppm2      1.750 CV     1
 OR {  506}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HB1 ))
 OR {  506}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 5    and name HB1 ))
 OR {  506}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  520}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HD1 ))
      2.000     0.500     0.500 peak   520 spectrum    1 weight  0.11000E+01 volume  0.19776E-01 ppm1      1.346 ppm2      1.640 CV     1
 OR {  520}
   (( segid "    " and resid 31   and name HG1 ))
   (( segid "    " and resid 31   and name HD2 ))
 OR {  520}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HD2 ))
 OR {  520}
   (( segid "    " and resid 31   and name HG1 ))
   (( segid "    " and resid 31   and name HD1 ))
 ASSI {  522}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HG1 ))
      4.400     2.400     1.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.21465E-03 ppm1      1.654 ppm2      2.345 CV     1
 ASSI {  526}
   (  segid "    " and resid 8    and name HD2%)
   (  segid "    " and resid 8    and name HD1%)
      3.400     1.500     1.500 peak   526 spectrum    1 weight  0.11000E+01 volume  0.10656E-02 ppm1      0.895 ppm2      1.015 CV     1
 ASSI {  530}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
      4.400     2.400     1.600 peak   530 spectrum    1 weight  0.10000E+01 volume  0.10277E-02 ppm1      2.065 ppm2      2.540 CV     1
 ASSI {  533}
   (( segid "    " and resid 31   and name HD1 ))
   (( segid "    " and resid 31   and name HE2 ))
      2.600     0.800     0.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.50068E-02 ppm1      1.666 ppm2      2.929 CV     1
 OR {  533}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HE1 ))
 OR {  533}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HE2 ))
 OR {  533}
   (( segid "    " and resid 31   and name HD1 ))
   (( segid "    " and resid 31   and name HE1 ))
 ASSI {  538}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HB1 ))
      1.500     0.300     0.700 peak   538 spectrum    1 weight  0.11000E+01 volume  0.35445E-01 ppm1      2.681 ppm2      3.087 CV     1
 ASSI {  541}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 29   and name HB  ))
      5.200     3.400     0.800 peak   541 spectrum    1 weight  0.10000E+01 volume  0.40779E-03 ppm1      3.141 ppm2      4.105 CV     1
 ASSI {  542}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      3.300     1.400     1.400 peak   542 spectrum    1 weight  0.10000E+01 volume  0.82313E-03 ppm1      1.832 ppm2      4.110 CV     1
 OR {  542}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  543}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      2.800     1.000     1.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.29157E-02 ppm1      1.814 ppm2      4.838 CV     1
 OR {  543}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  545}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 10   and name HB1 ))
      4.100     2.100     1.900 peak   545 spectrum    1 weight  0.10000E+01 volume  0.10554E-02 ppm1      1.959 ppm2      2.266 CV     1
 ASSI {  550}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HB1 ))
      2.000     0.500     0.500 peak   550 spectrum    1 weight  0.10000E+01 volume  0.94958E-02 ppm1      1.862 ppm2      1.350 CV     1
 ASSI {  558}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HB1 ))
      1.800     0.400     0.400 peak   558 spectrum    1 weight  0.11000E+01 volume  0.27619E-01 ppm1      3.134 ppm2      3.268 CV     1
 ASSI {  559}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HB1 ))
      1.900     0.400     0.400 peak   559 spectrum    1 weight  0.10000E+01 volume  0.21266E-01 ppm1      2.754 ppm2      3.072 CV     1
 ASSI {  561}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 29   and name HB  ))
      3.900     1.900     1.900 peak   561 spectrum    1 weight  0.10000E+01 volume  0.11445E-02 ppm1      7.125 ppm2      4.086 CV     1
 ASSI {  566}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB1 ))
      2.500     0.800     0.800 peak   566 spectrum    1 weight  0.10000E+01 volume  0.72404E-02 ppm1      2.444 ppm2      2.049 CV     1
 ASSI {  567}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 11   and name HB2 ))
      5.800     4.300     0.200 peak   567 spectrum    1 weight  0.10000E+01 volume  0.20852E-03 ppm1      2.360 ppm2      2.542 CV     1
 ASSI {  568}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.500     0.800     0.800 peak   568 spectrum    1 weight  0.11000E+01 volume  0.58524E-02 ppm1      8.844 ppm2      1.937 CV     1
 OR {  568}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  569}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.800     1.000     1.000 peak   569 spectrum    1 weight  0.11000E+01 volume  0.16158E-02 ppm1      8.027 ppm2      4.277 CV     1
 ASSI {  573}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 3    and name HD1%)
      5.100     3.200     0.900 peak   573 spectrum    1 weight  0.10000E+01 volume  0.21527E-03 ppm1      1.753 ppm2      0.938 CV     1
 OR {  573}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 3    and name HD1%)
 ASSI {  574}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG1 ))
      2.200     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.10795E-01 ppm1      1.949 ppm2      1.520 CV     1
 OR {  574}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  582}
   (( segid "    " and resid 6    and name HE22))
   (( segid "    " and resid 1    and name HA  ))
      5.600     3.900     0.400 peak   582 spectrum    1 weight  0.10000E+01 volume  0.13958E-03 ppm1      7.074 ppm2      4.251 CV     1
 ASSI {  583}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.600     1.600     1.600 peak   583 spectrum    1 weight  0.10000E+01 volume  0.65264E-03 ppm1      7.765 ppm2      1.729 CV     1
 OR {  583}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {  584}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      6.000     4.500     0.000 peak   584 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.777 ppm2      4.091 CV     1
 ASSI {  585}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.777 ppm2      4.143 CV     1
 ASSI {  588}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      6.000     6.000     0.000 peak   588 spectrum    1 weight  0.11000E+01 volume  0.13923E-04 ppm1      3.999 ppm2      2.852 CV     1
 ASSI {    5}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.700     1.700     1.700 peak     5 spectrum    2 weight  0.11000E+01 volume  0.45047E-03 ppm1      9.043 ppm2      2.862 CV     1
 ASSI {    8}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.900     1.000     1.000 peak     8 spectrum    2 weight  0.11000E+01 volume  0.27335E-02 ppm1      8.808 ppm2      1.935 CV     1
 ASSI {   28}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.000     1.100     1.100 peak    28 spectrum    2 weight  0.11000E+01 volume  0.74680E-02 ppm1      7.518 ppm2      2.857 CV     1
 ASSI {   29}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.100     1.200     1.200 peak    29 spectrum    2 weight  0.11000E+01 volume  0.12149E-02 ppm1      7.517 ppm2      2.551 CV     1
 ASSI {   34}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      2.300     0.600     0.600 peak    34 spectrum    2 weight  0.11000E+01 volume  0.71867E-02 ppm1      7.224 ppm2      1.829 CV     1
 OR {   34}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {   36}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      3.500     1.600     1.600 peak    36 spectrum    2 weight  0.11000E+01 volume  0.14017E-02 ppm1      7.866 ppm2      1.151 CV     1
 ASSI {   38}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 3    and name HB  ))
      2.400     0.700     0.700 peak    38 spectrum    2 weight  0.11000E+01 volume  0.85068E-02 ppm1      0.963 ppm2      2.198 CV     1
 ASSI {   40}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HB1 ))
      4.200     2.200     1.800 peak    40 spectrum    2 weight  0.11000E+01 volume  0.41094E-03 ppm1      7.308 ppm2      3.304 CV     1
 ASSI {   45}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.600     1.700     1.700 peak    45 spectrum    2 weight  0.11000E+01 volume  0.19667E-02 ppm1      7.515 ppm2      2.272 CV     1
 ASSI {   46}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.700     0.900     0.900 peak    46 spectrum    2 weight  0.11000E+01 volume  0.26468E-02 ppm1      7.518 ppm2      1.779 CV     1
 ASSI {   47}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.400     0.700     0.700 peak    47 spectrum    2 weight  0.11000E+01 volume  0.87032E-02 ppm1      4.205 ppm2      1.838 CV     1
 ASSI {   48}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HG  ))
      2.600     0.800     0.800 peak    48 spectrum    2 weight  0.11000E+01 volume  0.61486E-02 ppm1      4.009 ppm2      1.706 CV     1
 ASSI {   49}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HD1%)
      3.500     1.500     1.500 peak    49 spectrum    2 weight  0.11000E+01 volume  0.81975E-03 ppm1      4.003 ppm2      1.008 CV     1
 ASSI {   50}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HD2%)
      3.300     1.400     1.400 peak    50 spectrum    2 weight  0.11000E+01 volume  0.35511E-02 ppm1      4.003 ppm2      0.890 CV     1
 ASSI {   52}
   (( segid "    " and resid 8    and name HB1 ))
   (  segid "    " and resid 8    and name HD1%)
      3.300     1.400     1.400 peak    52 spectrum    2 weight  0.11000E+01 volume  0.11804E-02 ppm1      1.827 ppm2      1.006 CV     1
 OR {   52}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 8    and name HD1%)
 ASSI {   53}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.000     1.200     1.200 peak    53 spectrum    2 weight  0.11000E+01 volume  0.17944E-02 ppm1      4.067 ppm2      1.343 CV     1
 ASSI {   54}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB1 ))
      2.300     0.700     0.700 peak    54 spectrum    2 weight  0.11000E+01 volume  0.61190E-02 ppm1      4.221 ppm2      2.595 CV     1
 ASSI {   56}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG2 ))
      2.300     0.700     0.700 peak    56 spectrum    2 weight  0.11000E+01 volume  0.99791E-02 ppm1      4.214 ppm2      2.220 CV     1
 OR {   56}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG1 ))
 ASSI {   62}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.400     0.700     0.700 peak    62 spectrum    2 weight  0.11000E+01 volume  0.89710E-02 ppm1      4.368 ppm2      3.073 CV     1
 ASSI {   68}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HB2 ))
      2.200     0.600     0.600 peak    68 spectrum    2 weight  0.11000E+01 volume  0.95115E-02 ppm1      4.252 ppm2      3.011 CV     1
 ASSI {   75}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HB2 ))
      3.500     1.500     1.500 peak    75 spectrum    2 weight  0.11000E+01 volume  0.88427E-03 ppm1      7.305 ppm2      3.152 CV     1
 ASSI {   80}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.300     0.700     0.700 peak    80 spectrum    2 weight  0.11000E+01 volume  0.10496E-01 ppm1      4.450 ppm2      2.941 CV     1
 OR {   80}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {   81}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HB% )
      2.200     0.600     0.600 peak    81 spectrum    2 weight  0.11000E+01 volume  0.15640E-01 ppm1      4.511 ppm2      1.513 CV     1
 ASSI {   82}
   (( segid "    " and resid 15   and name HA1 ))
   (( segid "    " and resid 15   and name HA2 ))
      1.600     0.300     0.600 peak    82 spectrum    2 weight  0.11000E+01 volume  0.45148E-01 ppm1      4.154 ppm2      3.837 CV     1
 ASSI {   83}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.400     0.700     0.700 peak    83 spectrum    2 weight  0.11000E+01 volume  0.78806E-02 ppm1      4.213 ppm2      1.414 CV     1
 ASSI {   84}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.600     0.800     0.800 peak    84 spectrum    2 weight  0.11000E+01 volume  0.54060E-02 ppm1      4.212 ppm2      1.331 CV     1
 ASSI {   85}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
      2.900     1.100     1.100 peak    85 spectrum    2 weight  0.11000E+01 volume  0.26166E-02 ppm1      4.211 ppm2      1.170 CV     1
 OR {   85}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {   88}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.000     1.100     1.100 peak    88 spectrum    2 weight  0.11000E+01 volume  0.34651E-02 ppm1      4.603 ppm2      3.053 CV     1
 ASSI {   96}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HB1 ))
      3.300     1.400     1.400 peak    96 spectrum    2 weight  0.11000E+01 volume  0.20121E-02 ppm1      3.879 ppm2      2.348 CV     1
 OR {   96}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {   96}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {   97}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.000     1.100     1.100 peak    97 spectrum    2 weight  0.11000E+01 volume  0.23938E-02 ppm1      4.279 ppm2      1.518 CV     1
 ASSI {   98}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
      2.900     1.000     1.000 peak    98 spectrum    2 weight  0.11000E+01 volume  0.20941E-02 ppm1      4.279 ppm2      1.443 CV     1
 ASSI {   99}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG1 ))
      2.800     1.000     1.000 peak    99 spectrum    2 weight  0.11000E+01 volume  0.38576E-02 ppm1      4.071 ppm2      1.745 CV     1
 OR {   99}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG2 ))
 ASSI {  100}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 29   and name HA  ))
      2.700     0.900     0.900 peak   100 spectrum    2 weight  0.11000E+01 volume  0.32330E-02 ppm1      4.101 ppm2      4.903 CV     1
 ASSI {  101}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 29   and name HA  ))
      2.000     0.500     0.500 peak   101 spectrum    2 weight  0.11000E+01 volume  0.20596E-01 ppm1      3.878 ppm2      4.904 CV     1
 OR {  101}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 29   and name HA  ))
 ASSI {  102}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 18   and name HB2 ))
      2.400     0.700     0.700 peak   102 spectrum    2 weight  0.11000E+01 volume  0.52711E-02 ppm1      7.122 ppm2      3.066 CV     1
 ASSI {  103}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 18   and name HB1 ))
      2.600     0.800     0.800 peak   103 spectrum    2 weight  0.11000E+01 volume  0.43001E-02 ppm1      7.123 ppm2      3.143 CV     1
 ASSI {  105}
   (( segid "    " and resid 29   and name HB  ))
   (  segid "    " and resid 29   and name HG2%)
      2.300     0.700     0.700 peak   105 spectrum    2 weight  0.11000E+01 volume  0.10133E-01 ppm1      4.097 ppm2      1.284 CV     1
 ASSI {  107}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HG1 ))
      2.000     0.500     0.500 peak   107 spectrum    2 weight  0.11000E+01 volume  0.20696E-01 ppm1      3.882 ppm2      2.056 CV     1
 OR {  107}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  107}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  107}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HG1 ))
 ASSI {  115}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HB1 ))
      1.600     0.300     0.600 peak   115 spectrum    2 weight  0.11000E+01 volume  0.29961E-01 ppm1      3.016 ppm2      3.228 CV     1
 ASSI {  117}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HB1 ))
      2.800     1.000     1.000 peak   117 spectrum    2 weight  0.11000E+01 volume  0.89751E-02 ppm1      3.598 ppm2      2.276 CV     1
 OR {  117}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI {  120}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.100     0.500     0.500 peak   120 spectrum    2 weight  0.11000E+01 volume  0.95611E-02 ppm1      5.344 ppm2      2.987 CV     1
 ASSI {  121}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.000     1.100     1.100 peak   121 spectrum    2 weight  0.11000E+01 volume  0.28972E-02 ppm1      5.343 ppm2      2.741 CV     1
 ASSI {  123}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG2 ))
      2.700     0.900     0.900 peak   123 spectrum    2 weight  0.11000E+01 volume  0.54081E-02 ppm1      4.116 ppm2      1.938 CV     1
 OR {  123}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG1 ))
 ASSI {  124}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.300     0.700     0.700 peak   124 spectrum    2 weight  0.11000E+01 volume  0.80286E-02 ppm1      4.116 ppm2      1.747 CV     1
 OR {  124}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  125}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 5    and name HG2 ))
      3.900     1.900     1.900 peak   125 spectrum    2 weight  0.11000E+01 volume  0.36769E-03 ppm1      3.236 ppm2      1.941 CV     1
 OR {  125}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HG1 ))
 OR {  125}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 5    and name HG1 ))
 OR {  125}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HG2 ))
 ASSI {  130}
   (  segid "    " and resid 3    and name HG2%)
   (  segid "    " and resid 3    and name HD1%)
      2.800     1.000     1.000 peak   130 spectrum    2 weight  0.11000E+01 volume  0.29880E-02 ppm1      1.151 ppm2      0.955 CV     1
 ASSI {  148}
   (( segid "    " and resid 2    and name HG2 ))
   (( segid "    " and resid 2    and name HA  ))
      5.700     4.100     0.300 peak   148 spectrum    2 weight  0.11000E+01 volume  0.58408E-04 ppm1      1.881 ppm2      4.521 CV     1
 ASSI {  149}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 2    and name HG1 ))
      2.500     0.800     0.800 peak   149 spectrum    2 weight  0.11000E+01 volume  0.96630E-02 ppm1      1.547 ppm2      1.922 CV     1
 ASSI {  155}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.800     1.000     1.000 peak   155 spectrum    2 weight  0.11000E+01 volume  0.24626E-02 ppm1      1.823 ppm2      4.001 CV     1
 OR {  155}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  181}
   (( segid "    " and resid 31   and name HD1 ))
   (( segid "    " and resid 31   and name HA  ))
      4.100     2.100     1.900 peak   181 spectrum    2 weight  0.11000E+01 volume  0.57119E-03 ppm1      1.817 ppm2      4.074 CV     1
 OR {  181}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  185}
   (  segid "    " and resid 18   and name HE% )
   (  segid "    " and resid 29   and name HG2%)
      2.300     2.300     3.700 peak   185 spectrum    2 weight  0.11000E+01 volume  0.12832E-02 ppm1      7.301 ppm2      1.295 CV     1
 ASSI {  189}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 8    and name HD1%)
      3.800     1.800     1.800 peak   189 spectrum    2 weight  0.11000E+01 volume  0.18071E-02 ppm1      4.120 ppm2      1.016 CV     1
 ASSI {  191}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.800     1.000     1.000 peak   191 spectrum    2 weight  0.11000E+01 volume  0.88993E-02 ppm1      4.018 ppm2      2.526 CV     1
 ASSI {  194}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 21   and name HB1 ))
      2.800     1.000     1.000 peak   194 spectrum    2 weight  0.11000E+01 volume  0.46228E-02 ppm1      4.021 ppm2      2.724 CV     1
 ASSI {  195}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 7    and name HB2 ))
      3.400     1.400     1.400 peak   195 spectrum    2 weight  0.11000E+01 volume  0.24359E-02 ppm1      3.728 ppm2      2.693 CV     1
 OR {  195}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  202}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 2    and name HG1 ))
      4.400     4.400     1.600 peak   202 spectrum    2 weight  0.11000E+01 volume  0.27353E-03 ppm1      0.962 ppm2      1.953 CV     1
 ASSI {  210}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 28   and name HA  ))
      3.000     1.100     1.100 peak   210 spectrum    2 weight  0.11000E+01 volume  0.14241E-02 ppm1      3.727 ppm2      5.346 CV     1
 OR {  210}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {  218}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 6    and name HB2 ))
      3.500     1.500     1.500 peak   218 spectrum    2 weight  0.11000E+01 volume  0.34139E-02 ppm1      3.214 ppm2      2.505 CV     1
 ASSI {  220}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 3    and name HB  ))
      5.300     3.500     0.700 peak   220 spectrum    2 weight  0.11000E+01 volume  0.47965E-03 ppm1      3.209 ppm2      2.217 CV     1
 ASSI {  225}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 30   and name HD2 ))
      3.000     1.100     1.100 peak   225 spectrum    2 weight  0.11000E+01 volume  0.58850E-02 ppm1      4.094 ppm2      3.874 CV     1
 OR {  225}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 30   and name HD1 ))
 ASSI {  227}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 9    and name HB2 ))
      2.500     0.800     0.800 peak   227 spectrum    2 weight  0.11000E+01 volume  0.48943E-02 ppm1      3.602 ppm2      1.834 CV     1
 OR {  227}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  229}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HD1 ))
      2.700     0.900     0.900 peak   229 spectrum    2 weight  0.11000E+01 volume  0.80203E-02 ppm1      1.938 ppm2      3.597 CV     1
 OR {  229}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HD2 ))
 ASSI {  234}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 8    and name HG  ))
      2.700     0.900     0.900 peak   234 spectrum    2 weight  0.11000E+01 volume  0.39430E-02 ppm1      1.025 ppm2      1.706 CV     1
 ASSI {  239}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.200     0.600     0.600 peak   239 spectrum    2 weight  0.11000E+01 volume  0.85878E-02 ppm1      4.598 ppm2      2.344 CV     1
 OR {  239}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  240}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 28   and name HB1 ))
      3.500     1.500     1.500 peak   240 spectrum    2 weight  0.11000E+01 volume  0.12735E-02 ppm1      2.052 ppm2      2.990 CV     1
 OR {  240}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  243}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 26   and name HB2 ))
      2.600     0.800     0.800 peak   243 spectrum    2 weight  0.11000E+01 volume  0.32947E-02 ppm1      3.071 ppm2      2.571 CV     1
 ASSI {  248}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 28   and name HB1 ))
      3.500     1.500     1.500 peak   248 spectrum    2 weight  0.11000E+01 volume  0.18703E-02 ppm1      2.577 ppm2      2.992 CV     1
 ASSI {  252}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 31   and name HE1 ))
      3.000     1.200     1.200 peak   252 spectrum    2 weight  0.11000E+01 volume  0.26394E-02 ppm1      1.344 ppm2      2.943 CV     1
 OR {  252}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 31   and name HE2 ))
 ASSI {  253}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 31   and name HE1 ))
      2.500     0.800     0.800 peak   253 spectrum    2 weight  0.11000E+01 volume  0.56728E-02 ppm1      1.176 ppm2      2.940 CV     1
 OR {  253}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 31   and name HE2 ))
 OR {  253}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 31   and name HE2 ))
 OR {  253}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 31   and name HE1 ))
 ASSI {  254}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG1 ))
      2.400     0.700     0.700 peak   254 spectrum    2 weight  0.11000E+01 volume  0.47028E-02 ppm1      1.732 ppm2      2.428 CV     1
 ASSI {  255}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.300     0.600     0.600 peak   255 spectrum    2 weight  0.11000E+01 volume  0.80719E-02 ppm1      5.062 ppm2      2.578 CV     1
 ASSI {  257}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 7    and name HB1 ))
      4.600     2.700     1.400 peak   257 spectrum    2 weight  0.11000E+01 volume  0.89656E-03 ppm1      5.063 ppm2      3.077 CV     1
 ASSI {  259}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
      2.300     0.700     0.700 peak   259 spectrum    2 weight  0.10000E+01 volume  0.63845E-02 ppm1      4.847 ppm2      5.065 CV     1
 ASSI {  260}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
      4.900     3.000     1.100 peak   260 spectrum    2 weight  0.11000E+01 volume  0.64419E-03 ppm1      4.905 ppm2      2.052 CV     1
 OR {  260}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI {  261}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
      2.400     0.700     0.700 peak   261 spectrum    2 weight  0.11000E+01 volume  0.76377E-02 ppm1      4.905 ppm2      2.191 CV     1
 ASSI {  262}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      4.200     2.200     1.800 peak   262 spectrum    2 weight  0.11000E+01 volume  0.79240E-03 ppm1      4.907 ppm2      2.535 CV     1
 ASSI {  263}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 21   and name HB1 ))
      2.900     1.100     1.100 peak   263 spectrum    2 weight  0.11000E+01 volume  0.17877E-02 ppm1      4.905 ppm2      2.737 CV     1
 ASSI {  264}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.800     1.800     1.800 peak   264 spectrum    2 weight  0.11000E+01 volume  0.13399E-02 ppm1      5.344 ppm2      2.553 CV     1
 ASSI {  266}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 29   and name HG2%)
      2.500     0.800     0.800 peak   266 spectrum    2 weight  0.11000E+01 volume  0.57223E-02 ppm1      4.903 ppm2      1.286 CV     1
 ASSI {  267}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      4.400     2.500     1.600 peak   267 spectrum    2 weight  0.11000E+01 volume  0.19599E-03 ppm1      4.900 ppm2      1.159 CV     1
 ASSI {  268}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.400     0.700     0.700 peak   268 spectrum    2 weight  0.11000E+01 volume  0.60638E-02 ppm1      4.902 ppm2      3.293 CV     1
 ASSI {  271}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HD2 ))
      2.400     0.700     0.700 peak   271 spectrum    2 weight  0.11000E+01 volume  0.75731E-02 ppm1      4.841 ppm2      3.588 CV     1
 OR {  271}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HD1 ))
 ASSI {  274}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.700     0.900     0.900 peak   274 spectrum    2 weight  0.11000E+01 volume  0.30976E-02 ppm1      4.839 ppm2      2.710 CV     1
 ASSI {  275}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.400     1.500     1.500 peak   275 spectrum    2 weight  0.11000E+01 volume  0.47486E-02 ppm1      4.840 ppm2      2.272 CV     1
 ASSI {  276}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HG1 ))
      3.300     1.300     1.300 peak   276 spectrum    2 weight  0.11000E+01 volume  0.11542E-02 ppm1      4.839 ppm2      2.118 CV     1
 OR {  276}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HG2 ))
 ASSI {  277}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.200     0.600     0.600 peak   277 spectrum    2 weight  0.11000E+01 volume  0.10894E-01 ppm1      4.837 ppm2      1.785 CV     1
 ASSI {  280}
   (( segid "    " and resid 17   and name HH12))
   (( segid "    " and resid 31   and name HA  ))
      6.000     5.500     0.000 peak   280 spectrum    2 weight  0.10000E+01 volume  0.28473E-04 ppm1      7.291 ppm2      4.063 CV     1
 ASSI {  282}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.100     1.200     1.200 peak   282 spectrum    2 weight  0.11000E+01 volume  0.17477E-02 ppm1      4.636 ppm2      1.319 CV     1
 OR {  282}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI {  284}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HD1 ))
      3.100     1.200     1.200 peak   284 spectrum    2 weight  0.10000E+01 volume  0.20456E-02 ppm1      4.596 ppm2      3.851 CV     1
 OR {  284}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HD2 ))
 ASSI {  287}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HA2 ))
      3.600     1.600     1.600 peak   287 spectrum    2 weight  0.10000E+01 volume  0.72810E-03 ppm1      4.704 ppm2      3.830 CV     1
 ASSI {  288}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
      2.300     2.300     3.700 peak   288 spectrum    2 weight  0.11000E+01 volume  0.12417E-02 ppm1      4.713 ppm2      2.218 CV     1
 ASSI {  289}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      6.000     6.000     0.000 peak   289 spectrum    2 weight  0.10000E+01 volume  0.54709E-05 ppm1      4.716 ppm2      1.189 CV     1
 OR {  289}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {  290}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.800     1.800     1.800 peak   290 spectrum    2 weight  0.11000E+01 volume  0.48493E-03 ppm1      4.695 ppm2      1.355 CV     1
 ASSI {  291}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.600     1.600     1.600 peak   291 spectrum    2 weight  0.11000E+01 volume  0.13751E-02 ppm1      4.694 ppm2      1.655 CV     1
 ASSI {  293}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.700     1.700     1.700 peak   293 spectrum    2 weight  0.11000E+01 volume  0.91476E-03 ppm1      4.700 ppm2      1.920 CV     1
 ASSI {  298}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
      2.500     0.800     0.800 peak   298 spectrum    2 weight  0.11000E+01 volume  0.62220E-02 ppm1      4.598 ppm2      2.057 CV     1
 OR {  298}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI {  299}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 8    and name HD1%)
      3.600     3.600     2.400 peak   299 spectrum    2 weight  0.11000E+01 volume  0.67926E-03 ppm1      4.601 ppm2      1.005 CV     1
 ASSI {  300}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 8    and name HD2%)
      3.300     1.400     1.400 peak   300 spectrum    2 weight  0.11000E+01 volume  0.15461E-03 ppm1      4.598 ppm2      0.894 CV     1
 ASSI {  304}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HD2 ))
      4.100     2.100     1.900 peak   304 spectrum    2 weight  0.11000E+01 volume  0.90510E-03 ppm1      4.516 ppm2      1.700 CV     1
 OR {  304}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HD1 ))
 ASSI {  306}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.300     1.400     1.400 peak   306 spectrum    2 weight  0.11000E+01 volume  0.13461E-02 ppm1      4.214 ppm2      2.938 CV     1
 OR {  306}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  307}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      4.000     2.000     2.000 peak   307 spectrum    2 weight  0.11000E+01 volume  0.59065E-03 ppm1      4.253 ppm2      2.492 CV     1
 ASSI {  308}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
      5.100     3.200     0.900 peak   308 spectrum    2 weight  0.11000E+01 volume  0.48153E-03 ppm1      4.254 ppm2      2.210 CV     1
 ASSI {  309}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.200     0.600     0.600 peak   309 spectrum    2 weight  0.11000E+01 volume  0.10559E-01 ppm1      4.275 ppm2      1.940 CV     1
 OR {  309}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  310}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.200     0.600     0.600 peak   310 spectrum    2 weight  0.11000E+01 volume  0.10652E-01 ppm1      4.206 ppm2      1.937 CV     1
 ASSI {  311}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 25   and name HG2 ))
      4.400     2.500     1.600 peak   311 spectrum    2 weight  0.10000E+01 volume  0.46357E-03 ppm1      4.369 ppm2      1.414 CV     1
 OR {  311}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 25   and name HG1 ))
 ASSI {  314}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 21   and name HB2 ))
      6.000     6.000     0.000 peak   314 spectrum    2 weight  0.10000E+01 volume  0.22365E-04 ppm1      4.075 ppm2      2.520 CV     1
 ASSI {  316}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 11   and name HB1 ))
      4.700     2.800     1.300 peak   316 spectrum    2 weight  0.11000E+01 volume  0.29716E-03 ppm1      3.739 ppm2      2.855 CV     1
 OR {  316}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  321}
   (( segid "    " and resid 2    and name HE2 ))
   (( segid "    " and resid 6    and name HB2 ))
      5.700     4.100     0.300 peak   321 spectrum    2 weight  0.11000E+01 volume  0.98212E-04 ppm1      3.034 ppm2      2.492 CV     1
 OR {  321}
   (( segid "    " and resid 2    and name HE1 ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  322}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 16   and name HB1 ))
      3.300     1.400     1.400 peak   322 spectrum    2 weight  0.10000E+01 volume  0.10171E-02 ppm1      3.004 ppm2      2.042 CV     1
 ASSI {  327}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 26   and name HB2 ))
      2.800     1.000     1.000 peak   327 spectrum    2 weight  0.11000E+01 volume  0.27465E-02 ppm1      2.678 ppm2      2.563 CV     1
 ASSI {  329}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 16   and name HB2 ))
      3.500     1.500     1.500 peak   329 spectrum    2 weight  0.10000E+01 volume  0.22943E-02 ppm1      2.750 ppm2      1.737 CV     1
 ASSI {  332}
   (( segid "    " and resid 16   and name HG1 ))
   (  segid "    " and resid 14   and name HB% )
      4.600     2.700     1.400 peak   332 spectrum    2 weight  0.10000E+01 volume  0.18722E-03 ppm1      2.430 ppm2      1.511 CV     1
 ASSI {  333}
   (( segid "    " and resid 16   and name HG2 ))
   (  segid "    " and resid 14   and name HB% )
      3.500     3.500     2.500 peak   333 spectrum    2 weight  0.10000E+01 volume  0.10097E-02 ppm1      2.345 ppm2      1.511 CV     1
 ASSI {  336}
   (( segid "    " and resid 22   and name HG1 ))
   (( segid "    " and resid 22   and name HB1 ))
      3.800     1.800     1.800 peak   336 spectrum    2 weight  0.10000E+01 volume  0.59714E-03 ppm1      2.326 ppm2      1.918 CV     1
 ASSI {  337}
   (( segid "    " and resid 6    and name HG1 ))
   (  segid "    " and resid 3    and name HG2%)
      2.500     2.500     3.500 peak   337 spectrum    2 weight  0.11000E+01 volume  0.92464E-03 ppm1      2.243 ppm2      1.148 CV     1
 OR {  337}
   (( segid "    " and resid 6    and name HG2 ))
   (  segid "    " and resid 3    and name HG2%)
 ASSI {  342}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HG1 ))
      1.700     0.300     0.500 peak   342 spectrum    2 weight  0.10000E+01 volume  0.44234E-01 ppm1      2.493 ppm2      2.203 CV     1
 OR {  342}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  344}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HB1 ))
      1.700     1.700     4.300 peak   344 spectrum    2 weight  0.11000E+01 volume  0.51009E-01 ppm1      2.241 ppm2      2.592 CV     1
 OR {  344}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HB1 ))
 ASSI {  345}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HG2 ))
      4.000     2.000     2.000 peak   345 spectrum    2 weight  0.10000E+01 volume  0.31892E-03 ppm1      1.939 ppm2      0.948 CV     1
 ASSI {  352}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HB1 ))
      1.800     0.400     0.400 peak   352 spectrum    2 weight  0.11000E+01 volume  0.15764E-01 ppm1      1.757 ppm2      2.048 CV     1
 ASSI {  353}
   (( segid "    " and resid 9    and name HG1 ))
   (( segid "    " and resid 9    and name HD2 ))
      2.000     0.500     0.500 peak   353 spectrum    2 weight  0.10000E+01 volume  0.20685E-01 ppm1      1.476 ppm2      1.681 CV     1
 OR {  353}
   (( segid "    " and resid 9    and name HG1 ))
   (( segid "    " and resid 9    and name HD1 ))
 ASSI {  359}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB1 ))
      1.900     0.500     0.500 peak   359 spectrum    2 weight  0.11000E+01 volume  0.12980E-01 ppm1      1.373 ppm2      1.642 CV     1
 ASSI {  362}
   (( segid "    " and resid 9    and name HG1 ))
   (( segid "    " and resid 9    and name HB2 ))
      2.500     0.800     0.800 peak   362 spectrum    2 weight  0.11000E+01 volume  0.52585E-02 ppm1      1.465 ppm2      1.835 CV     1
 ASSI {  364}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HB1 ))
      2.200     0.600     0.600 peak   364 spectrum    2 weight  0.11000E+01 volume  0.11603E-01 ppm1      1.188 ppm2      1.406 CV     1
 OR {  364}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI {  368}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 16   and name HG1 ))
      3.300     1.400     1.400 peak   368 spectrum    2 weight  0.10000E+01 volume  0.19233E-02 ppm1      2.733 ppm2      2.416 CV     1
 ASSI {  375}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HE2 ))
      3.300     1.400     1.400 peak   375 spectrum    2 weight  0.10000E+01 volume  0.11710E-02 ppm1      1.725 ppm2      2.992 CV     1
 OR {  375}
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 25   and name HE1 ))
 OR {  375}
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {  375}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HE1 ))
 ASSI {  377}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 22   and name HB1 ))
      2.900     2.900     3.100 peak   377 spectrum    2 weight  0.11000E+01 volume  0.36719E-03 ppm1      7.309 ppm2      1.920 CV     1
 ASSI {  378}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 22   and name HB2 ))
      2.300     2.300     3.700 peak   378 spectrum    2 weight  0.11000E+01 volume  0.14103E-02 ppm1      7.306 ppm2      1.660 CV     1
 ASSI {  379}
   (( segid "    " and resid 17   and name HH12))
   (( segid "    " and resid 31   and name HE2 ))
      4.700     2.700     1.300 peak   379 spectrum    2 weight  0.10000E+01 volume  0.25490E-03 ppm1      7.291 ppm2      2.934 CV     1
 OR {  379}
   (( segid "    " and resid 17   and name HH12))
   (( segid "    " and resid 31   and name HE1 ))
 ASSI {  380}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 25   and name HD1 ))
      2.400     2.400     3.600 peak   380 spectrum    2 weight  0.11000E+01 volume  0.10279E-02 ppm1      7.306 ppm2      1.736 CV     1
 OR {  380}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 25   and name HD2 ))
 ASSI {  382}
   (( segid "    " and resid 31   and name HG1 ))
   (( segid "    " and resid 31   and name HB2 ))
      2.700     0.900     0.900 peak   382 spectrum    2 weight  0.10000E+01 volume  0.40995E-02 ppm1      1.735 ppm2      1.364 CV     1
 OR {  382}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  383}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HB2 ))
      2.900     1.000     1.000 peak   383 spectrum    2 weight  0.10000E+01 volume  0.32325E-02 ppm1      1.818 ppm2      1.352 CV     1
 OR {  383}
   (( segid "    " and resid 31   and name HD1 ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  384}
   (( segid "    " and resid 8    and name HG  ))
   (( segid "    " and resid 9    and name HG1 ))
      3.300     3.300     2.700 peak   384 spectrum    2 weight  0.10000E+01 volume  0.24761E-02 ppm1      1.697 ppm2      1.477 CV     1
 ASSI {  389}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 21   and name HB2 ))
      2.800     1.000     1.000 peak   389 spectrum    2 weight  0.11000E+01 volume  0.11875E-02 ppm1      3.004 ppm2      2.542 CV     1
 ASSI {  402}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 11   and name HB2 ))
      3.200     1.300     1.300 peak   402 spectrum    2 weight  0.10000E+01 volume  0.11124E-02 ppm1      3.707 ppm2      2.563 CV     1
 OR {  402}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  403}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.700     1.700     1.700 peak   403 spectrum    2 weight  0.10000E+01 volume  0.89167E-03 ppm1      4.916 ppm2      3.143 CV     1
 ASSI {  404}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      6.000     4.500     0.000 peak   404 spectrum    2 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.450 ppm2      1.957 CV     1
 OR {  404}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   1           HT1      CYS   1   7.919   0.920  -5.143
    2    H2   CYS   1           HT3      CYS   1   6.842   2.216  -5.335
    3    H3   CYS   1           HT2      CYS   1   8.493   2.516  -5.092
    4    HA   CYS   1           HA       CYS   1   7.413   2.958  -3.058
    5   1HB   CYS   1           HB2      CYS   1   5.940   1.402  -1.978
    6   2HB   CYS   1           HB1      CYS   1   5.375   1.608  -3.629
    7    H    LYS   2           HN       LYS   2   8.628   2.719  -1.269
    8    HA   LYS   2           HA       LYS   2  10.586   0.519  -1.252
    9   1HB   LYS   2           HB2      LYS   2  10.743   2.944   0.518
   10   2HB   LYS   2           HB1      LYS   2  12.045   1.902  -0.033
   11   1HG   LYS   2           HG2      LYS   2  10.524   3.862  -1.736
   12   2HG   LYS   2           HG1      LYS   2  12.132   4.116  -1.059
   13   1HD   LYS   2           HD2      LYS   2  13.006   2.281  -2.380
   14   2HD   LYS   2           HD1      LYS   2  11.388   1.918  -2.988
   15   1HE   LYS   2           HE2      LYS   2  12.615   3.174  -4.647
   16   2HE   LYS   2           HE1      LYS   2  11.293   4.151  -4.007
   17   1HZ   LYS   2           HZ3      LYS   2  12.915   5.252  -2.541
   18   2HZ   LYS   2           HZ2      LYS   2  14.163   4.361  -3.260
   19   3HZ   LYS   2           HZ1      LYS   2  13.278   5.473  -4.181
   20    H    ILE   3           HN       ILE   3   8.147   2.195   0.581
   21    HA   ILE   3           HA       ILE   3   8.411   0.302   2.823
   22    HB   ILE   3           HB       ILE   3   7.758   3.226   3.009
   23   1HG1  ILE   3          2HG1      ILE   3  10.086   2.886   2.306
   24   2HG1  ILE   3          1HG1      ILE   3   9.967   3.615   3.903
   25   1HG2  ILE   3          3HG2      ILE   3   8.344   1.217   5.164
   26   2HG2  ILE   3          2HG2      ILE   3   8.139   2.950   5.424
   27   3HG2  ILE   3          1HG2      ILE   3   6.790   1.982   4.828
   28   1HD1  ILE   3          2HD1      ILE   3  10.395   1.438   4.920
   29   2HD1  ILE   3          1HD1      ILE   3  10.537   0.722   3.317
   30   3HD1  ILE   3          3HD1      ILE   3  11.706   1.931   3.848
   31    H    SER   4           HN       SER   4   6.415   0.063   4.084
   32    HA   SER   4           HA       SER   4   4.185  -0.613   2.825
   33   1HB   SER   4           HB2      SER   4   3.855   0.819   5.418
   34   2HB   SER   4           HB1      SER   4   3.201  -0.729   4.887
   35    HG   SER   4           HG       SER   4   5.071  -1.721   5.336
   36    H    ARG   5           HN       ARG   5   4.971   2.670   3.764
   37    HA   ARG   5           HA       ARG   5   2.344   3.707   3.419
   38   1HB   ARG   5           HB2      ARG   5   3.392   5.899   3.764
   39   2HB   ARG   5           HB1      ARG   5   3.887   4.729   4.980
   40   1HG   ARG   5           HG2      ARG   5   5.993   4.381   3.702
   41   2HG   ARG   5           HG1      ARG   5   5.497   5.690   2.626
   42   1HD   ARG   5           HD2      ARG   5   5.967   5.897   5.600
   43   2HD   ARG   5           HD1      ARG   5   7.023   6.514   4.331
   44    HE   ARG   5           HE       ARG   5   5.053   7.976   3.708
   45   1HH1  ARG   5          1HH1      ARG   5   5.550   6.790   6.971
   46   2HH1  ARG   5          2HH1      ARG   5   4.739   8.134   7.722
   47   1HH2  ARG   5          1HH2      ARG   5   3.997   9.761   4.694
   48   2HH2  ARG   5          2HH2      ARG   5   3.875   9.836   6.431
   49    H    GLN   6           HN       GLN   6   5.089   3.290   1.349
   50    HA   GLN   6           HA       GLN   6   4.442   5.351  -0.511
   51   1HB   GLN   6           HB2      GLN   6   6.274   2.973  -0.845
   52   2HB   GLN   6           HB1      GLN   6   6.222   4.385  -1.887
   53   1HG   GLN   6           HG2      GLN   6   6.968   4.373   1.027
   54   2HG   GLN   6           HG1      GLN   6   8.089   4.476  -0.329
   55   1HE2  GLN   6          1HE2      GLN   6   8.223   6.373  -1.511
   56   2HE2  GLN   6          2HE2      GLN   6   7.583   7.869  -0.918
   57    H    CYS   7           HN       CYS   7   3.061   2.322  -0.005
   58    HA   CYS   7           HA       CYS   7   1.688   2.625  -2.595
   59   1HB   CYS   7           HB2      CYS   7   2.636   0.141  -1.248
   60   2HB   CYS   7           HB1      CYS   7   1.109   0.075  -2.117
   61    H    LEU   8           HN       LEU   8   1.444   2.999   0.642
   62    HA   LEU   8           HA       LEU   8  -1.031   1.848   1.285
   63   1HB   LEU   8           HB2      LEU   8   0.693   2.820   2.868
   64   2HB   LEU   8           HB1      LEU   8   0.082   4.404   2.442
   65    HG   LEU   8           HG       LEU   8  -1.669   2.258   3.644
   66   1HD1  LEU   8          3HD1      LEU   8  -0.072   4.400   5.041
   67   2HD1  LEU   8          2HD1      LEU   8  -1.329   3.419   5.794
   68   3HD1  LEU   8          1HD1      LEU   8   0.143   2.657   5.191
   69   1HD2  LEU   8          1HD2      LEU   8  -1.932   5.260   3.476
   70   2HD2  LEU   8          3HD2      LEU   8  -2.855   4.079   2.549
   71   3HD2  LEU   8          2HD2      LEU   8  -3.051   4.174   4.299
   72    H    LYS   9           HN       LYS   9  -0.279   5.247   0.402
   73    HA   LYS   9           HA       LYS   9  -3.056   5.805  -0.021
   74   1HB   LYS   9           HB2      LYS   9  -1.130   7.494  -1.465
   75   2HB   LYS   9           HB1      LYS   9  -2.486   7.942  -0.447
   76   1HG   LYS   9           HG2      LYS   9  -0.949   7.025   1.455
   77   2HG   LYS   9           HG1      LYS   9   0.307   7.360   0.248
   78   1HD   LYS   9           HD2      LYS   9  -0.417   9.661   0.079
   79   2HD   LYS   9           HD1      LYS   9  -1.786   9.338   1.151
   80   1HE   LYS   9           HE2      LYS   9  -0.077  10.444   2.425
   81   2HE   LYS   9           HE1      LYS   9  -0.145   8.760   2.943
   82   1HZ   LYS   9           HZ2      LYS   9   1.749   8.334   1.406
   83   2HZ   LYS   9           HZ1      LYS   9   1.871  10.006   1.157
   84   3HZ   LYS   9           HZ3      LYS   9   2.125   9.355   2.700
   85    HA   PRO  10           HA       PRO  10  -1.599   5.633  -4.755
   86   1HB   PRO  10           HB2      PRO  10   0.324   3.394  -4.320
   87   2HB   PRO  10           HB1      PRO  10   0.359   4.707  -5.493
   88   1HG   PRO  10           HG2      PRO  10   1.928   4.785  -3.370
   89   2HG   PRO  10           HG1      PRO  10   1.135   6.253  -3.975
   90   1HD   PRO  10           HD2      PRO  10   0.475   4.575  -1.609
   91   2HD   PRO  10           HD1      PRO  10   0.333   6.329  -1.824
   92    H    CYS  11           HN       CYS  11  -1.874   2.828  -2.583
   93    HA   CYS  11           HA       CYS  11  -3.649   1.598  -4.581
   94   1HB   CYS  11           HB2      CYS  11  -2.204   0.416  -2.218
   95   2HB   CYS  11           HB1      CYS  11  -3.467  -0.443  -3.088
   96    H    LYS  12           HN       LYS  12  -3.501   2.222  -1.054
   97    HA   LYS  12           HA       LYS  12  -6.125   1.170  -0.650
   98   1HB   LYS  12           HB2      LYS  12  -4.458   1.011   1.098
   99   2HB   LYS  12           HB1      LYS  12  -4.310   2.760   1.165
  100   1HG   LYS  12           HG2      LYS  12  -6.660   2.874   1.931
  101   2HG   LYS  12           HG1      LYS  12  -6.677   1.104   1.970
  102   1HD   LYS  12           HD2      LYS  12  -4.858   1.106   3.587
  103   2HD   LYS  12           HD1      LYS  12  -4.767   2.866   3.514
  104   1HE   LYS  12           HE2      LYS  12  -7.048   3.009   4.404
  105   2HE   LYS  12           HE1      LYS  12  -7.122   1.248   4.484
  106   1HZ   LYS  12           HZ1      LYS  12  -5.202   1.332   6.018
  107   2HZ   LYS  12           HZ3      LYS  12  -5.302   3.025   6.020
  108   3HZ   LYS  12           HZ2      LYS  12  -6.582   2.100   6.630
  109    H    ASP  13           HN       ASP  13  -4.765   4.439  -0.754
  110    HA   ASP  13           HA       ASP  13  -7.231   5.780  -0.351
  111   1HB   ASP  13           HB2      ASP  13  -5.153   6.989  -0.009
  112   2HB   ASP  13           HB1      ASP  13  -4.657   6.692  -1.670
  113    H    ALA  14           HN       ALA  14  -5.887   4.092  -2.982
  114    HA   ALA  14           HA       ALA  14  -7.539   5.436  -4.970
  115   1HB   ALA  14           HB1      ALA  14  -5.526   3.225  -5.338
  116   2HB   ALA  14           HB2      ALA  14  -5.201   4.950  -5.518
  117   3HB   ALA  14           HB3      ALA  14  -6.320   4.142  -6.617
  118    H    GLY  15           HN       GLY  15  -8.120   3.049  -2.781
  119   1HA   GLY  15           HA1      GLY  15  -9.918   1.660  -4.675
  120   2HA   GLY  15           HA2      GLY  15 -10.511   2.304  -3.157
  121    H    MET  16           HN       MET  16  -7.465   1.093  -2.564
  122    HA   MET  16           HA       MET  16  -8.411  -1.632  -2.048
  123   1HB   MET  16           HB2      MET  16  -5.698  -0.510  -1.336
  124   2HB   MET  16           HB1      MET  16  -6.151  -2.192  -1.535
  125   1HG   MET  16           HG2      MET  16  -6.105  -0.175  -3.753
  126   2HG   MET  16           HG1      MET  16  -4.768  -1.241  -3.347
  127   1HE   MET  16           HE3      MET  16  -5.976  -1.039  -6.246
  128   2HE   MET  16           HE2      MET  16  -4.679  -2.166  -5.837
  129   3HE   MET  16           HE1      MET  16  -6.105  -2.738  -6.704
  130    H    ARG  17           HN       ARG  17  -8.378  -2.539   0.110
  131    HA   ARG  17           HA       ARG  17  -8.865  -0.625   2.227
  132   1HB   ARG  17           HB2      ARG  17  -8.850  -3.630   2.108
  133   2HB   ARG  17           HB1      ARG  17  -8.930  -2.774   3.643
  134   1HG   ARG  17           HG2      ARG  17 -10.974  -1.665   2.936
  135   2HG   ARG  17           HG1      ARG  17 -10.892  -2.493   1.380
  136   1HD   ARG  17           HD2      ARG  17 -11.125  -3.847   4.063
  137   2HD   ARG  17           HD1      ARG  17 -12.465  -3.552   2.953
  138    HE   ARG  17           HE       ARG  17 -10.177  -5.327   2.389
  139   1HH1  ARG  17          1HH1      ARG  17 -13.531  -4.419   1.986
  140   2HH1  ARG  17          2HH1      ARG  17 -13.911  -5.779   0.976
  141   1HH2  ARG  17          1HH2      ARG  17 -10.664  -7.116   1.093
  142   2HH2  ARG  17          2HH2      ARG  17 -12.277  -7.331   0.479
  143    H    PHE  18           HN       PHE  18  -6.280  -2.633   1.104
  144    HA   PHE  18           HA       PHE  18  -4.478  -1.344   3.000
  145   1HB   PHE  18           HB2      PHE  18  -4.634  -4.344   2.590
  146   2HB   PHE  18           HB1      PHE  18  -3.311  -3.527   3.411
  147    HD1  PHE  18           HD1      PHE  18  -3.775  -2.300   5.541
  148    HD2  PHE  18           HD2      PHE  18  -6.633  -4.865   3.709
  149    HE1  PHE  18           HE1      PHE  18  -5.008  -2.436   7.666
  150    HE2  PHE  18           HE2      PHE  18  -7.876  -5.002   5.827
  151    HZ   PHE  18           HZ       PHE  18  -7.064  -3.786   7.811
  152    H    GLY  19           HN       GLY  19  -2.347  -1.191   2.240
  153   1HA   GLY  19           HA1      GLY  19  -1.785  -0.604  -0.296
  154   2HA   GLY  19           HA2      GLY  19  -1.690  -2.362  -0.341
  155    H    LYS  20           HN       LYS  20  -0.375  -3.230   1.660
  156    HA   LYS  20           HA       LYS  20   1.657  -1.406   2.595
  157   1HB   LYS  20           HB2      LYS  20   2.458  -3.376   3.898
  158   2HB   LYS  20           HB1      LYS  20   0.773  -2.968   4.192
  159   1HG   LYS  20           HG2      LYS  20   0.090  -4.772   2.666
  160   2HG   LYS  20           HG1      LYS  20   1.787  -5.198   2.436
  161   1HD   LYS  20           HD2      LYS  20   0.742  -6.666   4.072
  162   2HD   LYS  20           HD1      LYS  20   1.981  -5.668   4.833
  163   1HE   LYS  20           HE2      LYS  20   0.281  -4.172   5.705
  164   2HE   LYS  20           HE1      LYS  20  -0.979  -5.086   4.878
  165   1HZ   LYS  20           HZ1      LYS  20  -0.424  -7.007   6.235
  166   2HZ   LYS  20           HZ3      LYS  20   0.782  -6.121   7.036
  167   3HZ   LYS  20           HZ2      LYS  20  -0.851  -5.683   7.209
  168    H    CYS  21           HN       CYS  21   3.627  -1.181   1.825
  169    HA   CYS  21           HA       CYS  21   4.618  -3.114  -0.154
  170   1HB   CYS  21           HB2      CYS  21   4.367  -0.859  -1.061
  171   2HB   CYS  21           HB1      CYS  21   5.348  -0.202   0.245
  172    H    MET  22           HN       MET  22   6.601  -4.016   0.088
  173    HA   MET  22           HA       MET  22   8.401  -2.866   2.084
  174   1HB   MET  22           HB2      MET  22   7.198  -4.812   3.133
  175   2HB   MET  22           HB1      MET  22   7.870  -5.850   1.882
  176   1HG   MET  22           HG2      MET  22  10.140  -5.226   2.660
  177   2HG   MET  22           HG1      MET  22   9.397  -4.325   3.980
  178   1HE   MET  22           HE2      MET  22   7.807  -5.496   5.823
  179   2HE   MET  22           HE1      MET  22   6.871  -6.283   4.551
  180   3HE   MET  22           HE3      MET  22   7.521  -7.233   5.890
  181    H    ASN  23           HN       ASN  23  10.469  -2.833   1.384
  182    HA   ASN  23           HA       ASN  23  12.334  -3.130   0.124
  183   1HB   ASN  23           HB2      ASN  23  10.901  -5.482  -1.137
  184   2HB   ASN  23           HB1      ASN  23  12.607  -5.100  -1.314
  185   1HD2  ASN  23          1HD2      ASN  23  13.980  -5.338   0.492
  186   2HD2  ASN  23          2HD2      ASN  23  13.549  -6.386   1.810
  187    H    GLY  24           HN       GLY  24   9.810  -4.174  -2.156
  188   1HA   GLY  24           HA1      GLY  24  10.693  -2.855  -4.387
  189   2HA   GLY  24           HA2      GLY  24   9.775  -1.645  -3.504
  190    H    LYS  25           HN       LYS  25   8.064  -4.016  -2.500
  191    HA   LYS  25           HA       LYS  25   6.259  -3.999  -4.801
  192   1HB   LYS  25           HB2      LYS  25   5.818  -6.392  -4.621
  193   2HB   LYS  25           HB1      LYS  25   7.521  -6.115  -4.958
  194   1HG   LYS  25           HG2      LYS  25   8.048  -6.485  -2.595
  195   2HG   LYS  25           HG1      LYS  25   6.336  -6.763  -2.265
  196   1HD   LYS  25           HD2      LYS  25   6.376  -8.661  -3.847
  197   2HD   LYS  25           HD1      LYS  25   8.106  -8.406  -4.075
  198   1HE   LYS  25           HE2      LYS  25   6.726  -9.125  -1.491
  199   2HE   LYS  25           HE1      LYS  25   7.706 -10.199  -2.487
  200   1HZ   LYS  25           HZ2      LYS  25   9.555  -8.516  -2.113
  201   2HZ   LYS  25           HZ1      LYS  25   8.590  -7.888  -0.871
  202   3HZ   LYS  25           HZ3      LYS  25   9.122  -9.494  -0.798
  203    H    CYS  26           HN       CYS  26   4.068  -4.101  -4.234
  204    HA   CYS  26           HA       CYS  26   3.561  -4.101  -1.345
  205   1HB   CYS  26           HB2      CYS  26   1.778  -2.315  -1.888
  206   2HB   CYS  26           HB1      CYS  26   3.461  -1.829  -1.760
  207    H    HIS  27           HN       HIS  27   1.785  -5.033  -0.609
  208    HA   HIS  27           HA       HIS  27   0.134  -6.521  -2.511
  209   1HB   HIS  27           HB2      HIS  27   0.385  -6.664   0.500
  210   2HB   HIS  27           HB1      HIS  27  -0.777  -7.608  -0.427
  211    HD1  HIS  27           HD1      HIS  27   2.483  -7.858   0.998
  212    HD2  HIS  27           HD2      HIS  27   0.677  -9.264  -2.474
  213    HE1  HIS  27           HE1      HIS  27   3.921  -9.764   0.207
  214    HE2  HIS  27           HE2      HIS  27   2.927 -10.445  -2.010
  215    H    CYS  28           HN       CYS  28  -1.352  -5.156  -3.321
  216    HA   CYS  28           HA       CYS  28  -2.824  -3.418  -1.482
  217   1HB   CYS  28           HB2      CYS  28  -3.012  -3.446  -4.492
  218   2HB   CYS  28           HB1      CYS  28  -3.470  -2.154  -3.394
  219    H    THR  29           HN       THR  29  -4.511  -4.380  -0.598
  220    HA   THR  29           HA       THR  29  -6.016  -6.368  -2.135
  221    HB   THR  29           HB       THR  29  -7.061  -6.886   0.118
  222    HG1  THR  29           HG1      THR  29  -6.639  -5.218   1.432
  223   1HG2  THR  29          1HG2      THR  29  -5.266  -8.260  -0.819
  224   2HG2  THR  29          3HG2      THR  29  -4.061  -7.175  -0.122
  225   3HG2  THR  29          2HG2      THR  29  -5.107  -8.129   0.933
  226    HA   PRO  30           HA       PRO  30  -8.708  -2.933  -3.041
  227   1HB   PRO  30           HB2      PRO  30 -10.358  -5.112  -4.203
  228   2HB   PRO  30           HB1      PRO  30  -9.760  -3.624  -4.950
  229   1HG   PRO  30           HG2      PRO  30  -8.623  -5.923  -5.566
  230   2HG   PRO  30           HG1      PRO  30  -7.621  -4.487  -5.259
  231   1HD   PRO  30           HD2      PRO  30  -8.226  -6.780  -3.411
  232   2HD   PRO  30           HD1      PRO  30  -6.661  -6.021  -3.779
  233    H    LYS  31           HN       LYS  31 -10.859  -2.232  -2.730
  234    HA   LYS  31           HA       LYS  31 -12.178  -3.438  -0.426
  235   1HB   LYS  31           HB2      LYS  31 -12.753  -0.882  -1.942
  236   2HB   LYS  31           HB1      LYS  31 -13.670  -1.436  -0.551
  237   1HG   LYS  31           HG2      LYS  31 -11.518  -1.357   0.754
  238   2HG   LYS  31           HG1      LYS  31 -10.809  -0.527  -0.635
  239   1HD   LYS  31           HD2      LYS  31 -12.425   1.258  -0.446
  240   2HD   LYS  31           HD1      LYS  31 -13.269   0.401   0.844
  241   1HE   LYS  31           HE2      LYS  31 -11.984   2.014   1.952
  242   2HE   LYS  31           HE1      LYS  31 -11.071   0.517   2.130
  243   1HZ   LYS  31           HZ2      LYS  31 -10.513   2.551   0.037
  244   2HZ   LYS  31           HZ1      LYS  31  -9.711   2.487   1.529
  245   3HZ   LYS  31           HZ3      LYS  31  -9.565   1.203   0.435

  No H/Q in entry =         245
  Start of MODEL    2
    1    H1   CYS   1           HT1      CYS   1   7.790   1.282  -5.124
    2    H2   CYS   1           HT3      CYS   1   6.959   2.747  -4.917
    3    H3   CYS   1           HT2      CYS   1   8.651   2.717  -4.858
    4    HA   CYS   1           HA       CYS   1   7.798   2.913  -2.633
    5   1HB   CYS   1           HB2      CYS   1   6.299   1.319  -1.695
    6   2HB   CYS   1           HB1      CYS   1   5.595   1.830  -3.221
    7    H    LYS   2           HN       LYS   2   9.480   2.547  -1.460
    8    HA   LYS   2           HA       LYS   2  10.798  -0.086  -1.579
    9   1HB   LYS   2           HB2      LYS   2  12.719   1.022  -0.559
   10   2HB   LYS   2           HB1      LYS   2  12.224   1.922  -1.990
   11   1HG   LYS   2           HG2      LYS   2  10.850   3.350  -0.360
   12   2HG   LYS   2           HG1      LYS   2  11.858   2.625   0.891
   13   1HD   LYS   2           HD2      LYS   2  13.856   3.471  -0.223
   14   2HD   LYS   2           HD1      LYS   2  12.852   4.182  -1.494
   15   1HE   LYS   2           HE2      LYS   2  13.324   5.944   0.005
   16   2HE   LYS   2           HE1      LYS   2  11.659   5.445   0.347
   17   1HZ   LYS   2           HZ3      LYS   2  12.595   4.052   2.172
   18   2HZ   LYS   2           HZ2      LYS   2  14.101   4.769   1.902
   19   3HZ   LYS   2           HZ1      LYS   2  12.790   5.718   2.411
   20    H    ILE   3           HN       ILE   3   8.573   1.722   0.038
   21    HA   ILE   3           HA       ILE   3   8.817   0.209   2.512
   22    HB   ILE   3           HB       ILE   3   8.172   2.502   3.614
   23   1HG1  ILE   3          2HG1      ILE   3   9.960   3.360   1.349
   24   2HG1  ILE   3          1HG1      ILE   3   8.260   3.776   1.523
   25   1HG2  ILE   3          1HG2      ILE   3  10.009   1.069   4.309
   26   2HG2  ILE   3          3HG2      ILE   3  11.008   1.705   2.996
   27   3HG2  ILE   3          2HG2      ILE   3  10.501   2.762   4.313
   28   1HD1  ILE   3          3HD1      ILE   3   8.776   5.003   3.569
   29   2HD1  ILE   3          2HD1      ILE   3  10.480   4.588   3.382
   30   3HD1  ILE   3          1HD1      ILE   3   9.686   5.615   2.190
   31    H    SER   4           HN       SER   4   6.931   0.103   3.740
   32    HA   SER   4           HA       SER   4   4.662  -0.512   2.559
   33   1HB   SER   4           HB2      SER   4   4.798   0.839   5.250
   34   2HB   SER   4           HB1      SER   4   3.601  -0.325   4.702
   35    HG   SER   4           HG       SER   4   5.619  -0.989   6.015
   36    H    ARG   5           HN       ARG   5   5.425   2.785   3.569
   37    HA   ARG   5           HA       ARG   5   2.755   3.727   3.489
   38   1HB   ARG   5           HB2      ARG   5   3.780   5.979   3.668
   39   2HB   ARG   5           HB1      ARG   5   4.378   4.841   4.866
   40   1HG   ARG   5           HG2      ARG   5   6.377   4.477   3.463
   41   2HG   ARG   5           HG1      ARG   5   5.789   5.715   2.354
   42   1HD   ARG   5           HD2      ARG   5   6.290   6.189   5.282
   43   2HD   ARG   5           HD1      ARG   5   7.488   6.494   4.027
   44    HE   ARG   5           HE       ARG   5   5.357   7.907   3.163
   45   1HH1  ARG   5          1HH1      ARG   5   6.947   7.738   6.282
   46   2HH1  ARG   5          2HH1      ARG   5   6.703   9.420   6.652
   47   1HH2  ARG   5          1HH2      ARG   5   5.022  10.122   3.648
   48   2HH2  ARG   5          2HH2      ARG   5   5.585  10.765   5.164
   49    H    GLN   6           HN       GLN   6   5.216   3.469   1.051
   50    HA   GLN   6           HA       GLN   6   4.188   5.539  -0.624
   51   1HB   GLN   6           HB2      GLN   6   6.143   3.326  -1.257
   52   2HB   GLN   6           HB1      GLN   6   5.817   4.717  -2.280
   53   1HG   GLN   6           HG2      GLN   6   6.601   6.162  -0.409
   54   2HG   GLN   6           HG1      GLN   6   7.057   4.693   0.451
   55   1HE2  GLN   6          1HE2      GLN   6   7.831   6.866  -2.109
   56   2HE2  GLN   6          2HE2      GLN   6   9.354   6.158  -2.537
   57    H    CYS   7           HN       CYS   7   3.109   2.416  -0.023
   58    HA   CYS   7           HA       CYS   7   1.428   2.572  -2.444
   59   1HB   CYS   7           HB2      CYS   7   2.492   0.160  -0.993
   60   2HB   CYS   7           HB1      CYS   7   1.036   0.056  -1.976
   61    H    LEU   8           HN       LEU   8   1.576   2.697   0.917
   62    HA   LEU   8           HA       LEU   8  -0.796   1.479   1.718
   63   1HB   LEU   8           HB2      LEU   8   0.900   2.101   3.312
   64   2HB   LEU   8           HB1      LEU   8   0.711   3.798   2.910
   65    HG   LEU   8           HG       LEU   8  -1.529   3.801   3.873
   66   1HD1  LEU   8          1HD1      LEU   8  -2.146   1.487   3.422
   67   2HD1  LEU   8          3HD1      LEU   8  -0.953   0.931   4.595
   68   3HD1  LEU   8          2HD1      LEU   8  -2.346   1.869   5.133
   69   1HD2  LEU   8          3HD2      LEU   8   0.399   4.338   5.276
   70   2HD2  LEU   8          2HD2      LEU   8  -0.886   3.569   6.206
   71   3HD2  LEU   8          1HD2      LEU   8   0.538   2.644   5.733
   72    H    LYS   9           HN       LYS   9  -0.214   4.962   1.119
   73    HA   LYS   9           HA       LYS   9  -3.035   5.439   1.300
   74   1HB   LYS   9           HB2      LYS   9  -2.506   7.571   1.683
   75   2HB   LYS   9           HB1      LYS   9  -0.911   6.944   1.973
   76   1HG   LYS   9           HG2      LYS   9  -0.564   8.809   0.654
   77   2HG   LYS   9           HG1      LYS   9  -0.497   7.473  -0.489
   78   1HD   LYS   9           HD2      LYS   9  -2.755   7.893  -1.192
   79   2HD   LYS   9           HD1      LYS   9  -2.942   9.145   0.033
   80   1HE   LYS   9           HE2      LYS   9  -0.932   9.258  -2.211
   81   2HE   LYS   9           HE1      LYS   9  -2.530  10.001  -2.280
   82   1HZ   LYS   9           HZ2      LYS   9  -1.889  11.264  -0.249
   83   2HZ   LYS   9           HZ1      LYS   9  -0.310  10.677  -0.431
   84   3HZ   LYS   9           HZ3      LYS   9  -0.991  11.662  -1.629
   85    HA   PRO  10           HA       PRO  10  -2.179   6.484  -3.453
   86   1HB   PRO  10           HB2      PRO  10  -0.289   4.222  -3.932
   87   2HB   PRO  10           HB1      PRO  10  -0.333   5.831  -4.667
   88   1HG   PRO  10           HG2      PRO  10   1.487   5.288  -2.832
   89   2HG   PRO  10           HG1      PRO  10   0.636   6.847  -2.796
   90   1HD   PRO  10           HD2      PRO  10   0.162   4.394  -1.136
   91   2HD   PRO  10           HD1      PRO  10   0.205   6.092  -0.621
   92    H    CYS  11           HN       CYS  11  -2.062   3.172  -2.165
   93    HA   CYS  11           HA       CYS  11  -3.669   2.131  -4.290
   94   1HB   CYS  11           HB2      CYS  11  -2.714   0.994  -1.679
   95   2HB   CYS  11           HB1      CYS  11  -3.864   0.122  -2.690
   96    H    LYS  12           HN       LYS  12  -4.368   2.855  -0.839
   97    HA   LYS  12           HA       LYS  12  -7.071   2.065  -1.048
   98   1HB   LYS  12           HB2      LYS  12  -7.403   3.385   1.057
   99   2HB   LYS  12           HB1      LYS  12  -6.162   2.145   1.135
  100   1HG   LYS  12           HG2      LYS  12  -4.437   3.810   0.914
  101   2HG   LYS  12           HG1      LYS  12  -5.650   5.078   0.712
  102   1HD   LYS  12           HD2      LYS  12  -4.730   5.003   3.002
  103   2HD   LYS  12           HD1      LYS  12  -6.467   4.714   2.959
  104   1HE   LYS  12           HE2      LYS  12  -6.038   2.289   3.096
  105   2HE   LYS  12           HE1      LYS  12  -4.311   2.617   3.203
  106   1HZ   LYS  12           HZ2      LYS  12  -6.298   3.665   5.143
  107   2HZ   LYS  12           HZ1      LYS  12  -5.443   2.218   5.369
  108   3HZ   LYS  12           HZ3      LYS  12  -4.608   3.693   5.284
  109    H    ASP  13           HN       ASP  13  -5.453   5.114  -1.564
  110    HA   ASP  13           HA       ASP  13  -7.681   6.788  -1.798
  111   1HB   ASP  13           HB2      ASP  13  -5.283   7.520  -1.726
  112   2HB   ASP  13           HB1      ASP  13  -5.122   6.989  -3.398
  113    H    ALA  14           HN       ALA  14  -6.350   4.429  -3.978
  114    HA   ALA  14           HA       ALA  14  -8.021   5.279  -6.196
  115   1HB   ALA  14           HB3      ALA  14  -6.220   2.869  -5.961
  116   2HB   ALA  14           HB1      ALA  14  -5.754   4.435  -6.628
  117   3HB   ALA  14           HB2      ALA  14  -6.986   3.465  -7.434
  118    H    GLY  15           HN       GLY  15  -7.900   2.709  -3.777
  119   1HA   GLY  15           HA1      GLY  15 -10.302   1.480  -4.922
  120   2HA   GLY  15           HA2      GLY  15 -10.441   2.185  -3.317
  121    H    MET  16           HN       MET  16  -8.520   1.442  -1.838
  122    HA   MET  16           HA       MET  16  -8.469  -1.487  -1.953
  123   1HB   MET  16           HB2      MET  16  -6.011   0.171  -1.336
  124   2HB   MET  16           HB1      MET  16  -6.112  -1.580  -1.372
  125   1HG   MET  16           HG2      MET  16  -6.610   0.136  -3.780
  126   2HG   MET  16           HG1      MET  16  -5.016  -0.467  -3.339
  127   1HE   MET  16           HE3      MET  16  -4.784  -1.544  -5.725
  128   2HE   MET  16           HE2      MET  16  -5.959  -2.654  -6.429
  129   3HE   MET  16           HE1      MET  16  -6.387  -0.964  -6.172
  130    H    ARG  17           HN       ARG  17  -8.284  -2.480   0.063
  131    HA   ARG  17           HA       ARG  17  -9.144  -0.921   2.331
  132   1HB   ARG  17           HB2      ARG  17 -10.006  -3.187   1.893
  133   2HB   ARG  17           HB1      ARG  17  -8.384  -3.834   2.090
  134   1HG   ARG  17           HG2      ARG  17  -8.379  -3.103   4.425
  135   2HG   ARG  17           HG1      ARG  17 -10.014  -2.468   4.218
  136   1HD   ARG  17           HD2      ARG  17 -10.032  -4.675   5.278
  137   2HD   ARG  17           HD1      ARG  17 -10.841  -4.692   3.713
  138    HE   ARG  17           HE       ARG  17  -8.135  -5.764   4.214
  139   1HH1  ARG  17          1HH1      ARG  17 -11.149  -5.755   2.436
  140   2HH1  ARG  17          2HH1      ARG  17 -10.744  -7.145   1.477
  141   1HH2  ARG  17          1HH2      ARG  17  -7.572  -7.575   2.921
  142   2HH2  ARG  17          2HH2      ARG  17  -8.705  -8.163   1.732
  143    H    PHE  18           HN       PHE  18  -6.329  -2.938   1.537
  144    HA   PHE  18           HA       PHE  18  -4.693  -1.253   3.304
  145   1HB   PHE  18           HB2      PHE  18  -4.703  -4.269   3.139
  146   2HB   PHE  18           HB1      PHE  18  -3.363  -3.363   3.828
  147    HD1  PHE  18           HD1      PHE  18  -3.961  -1.722   5.752
  148    HD2  PHE  18           HD2      PHE  18  -6.468  -4.923   4.486
  149    HE1  PHE  18           HE1      PHE  18  -5.114  -1.674   7.925
  150    HE2  PHE  18           HE2      PHE  18  -7.627  -4.875   6.656
  151    HZ   PHE  18           HZ       PHE  18  -6.949  -3.252   8.379
  152    H    GLY  19           HN       GLY  19  -2.263  -1.829   2.827
  153   1HA   GLY  19           HA1      GLY  19  -1.757  -1.101   0.146
  154   2HA   GLY  19           HA2      GLY  19  -1.491  -2.830   0.328
  155    H    LYS  20           HN       LYS  20   0.120  -3.552   1.845
  156    HA   LYS  20           HA       LYS  20   1.982  -1.451   2.699
  157   1HB   LYS  20           HB2      LYS  20   3.000  -3.193   4.123
  158   2HB   LYS  20           HB1      LYS  20   1.288  -2.972   4.459
  159   1HG   LYS  20           HG2      LYS  20   0.734  -4.973   3.249
  160   2HG   LYS  20           HG1      LYS  20   2.408  -5.167   2.729
  161   1HD   LYS  20           HD2      LYS  20   1.959  -6.673   4.561
  162   2HD   LYS  20           HD1      LYS  20   3.074  -5.417   5.097
  163   1HE   LYS  20           HE2      LYS  20   1.242  -4.220   6.161
  164   2HE   LYS  20           HE1      LYS  20   0.095  -5.428   5.585
  165   1HZ   LYS  20           HZ2      LYS  20   1.272  -7.095   6.909
  166   2HZ   LYS  20           HZ1      LYS  20   2.330  -5.902   7.492
  167   3HZ   LYS  20           HZ3      LYS  20   0.677  -5.832   7.878
  168    H    CYS  21           HN       CYS  21   3.907  -1.193   1.782
  169    HA   CYS  21           HA       CYS  21   4.787  -3.177  -0.189
  170   1HB   CYS  21           HB2      CYS  21   4.551  -0.875  -1.028
  171   2HB   CYS  21           HB1      CYS  21   5.701  -0.316   0.186
  172    H    MET  22           HN       MET  22   6.697  -4.204  -0.043
  173    HA   MET  22           HA       MET  22   8.538  -3.398   2.107
  174   1HB   MET  22           HB2      MET  22   7.250  -5.393   2.827
  175   2HB   MET  22           HB1      MET  22   7.790  -6.248   1.388
  176   1HG   MET  22           HG2      MET  22  10.115  -6.020   2.163
  177   2HG   MET  22           HG1      MET  22   9.525  -5.255   3.636
  178   1HE   MET  22           HE1      MET  22   9.719  -8.527   1.521
  179   2HE   MET  22           HE3      MET  22   8.737  -9.647   2.465
  180   3HE   MET  22           HE2      MET  22   7.974  -8.295   1.631
  181    H    ASN  23           HN       ASN  23  10.381  -2.840   1.213
  182    HA   ASN  23           HA       ASN  23  12.268  -2.828  -0.024
  183   1HB   ASN  23           HB2      ASN  23  11.334  -5.555  -0.907
  184   2HB   ASN  23           HB1      ASN  23  12.857  -4.839  -1.423
  185   1HD2  ASN  23          1HD2      ASN  23  14.491  -4.504   0.114
  186   2HD2  ASN  23          2HD2      ASN  23  14.507  -5.377   1.612
  187    H    GLY  24           HN       GLY  24   9.963  -4.455  -2.219
  188   1HA   GLY  24           HA1      GLY  24  10.752  -3.361  -4.575
  189   2HA   GLY  24           HA2      GLY  24   9.784  -2.083  -3.858
  190    H    LYS  25           HN       LYS  25   7.998  -4.044  -2.536
  191    HA   LYS  25           HA       LYS  25   6.181  -4.267  -4.755
  192   1HB   LYS  25           HB2      LYS  25   5.712  -6.668  -4.411
  193   2HB   LYS  25           HB1      LYS  25   7.330  -6.367  -5.024
  194   1HG   LYS  25           HG2      LYS  25   8.182  -6.617  -2.692
  195   2HG   LYS  25           HG1      LYS  25   6.554  -7.106  -2.213
  196   1HD   LYS  25           HD2      LYS  25   8.237  -8.472  -4.316
  197   2HD   LYS  25           HD1      LYS  25   8.030  -9.036  -2.656
  198   1HE   LYS  25           HE2      LYS  25   5.695  -9.417  -3.003
  199   2HE   LYS  25           HE1      LYS  25   5.746  -8.624  -4.578
  200   1HZ   LYS  25           HZ2      LYS  25   7.187 -11.134  -3.897
  201   2HZ   LYS  25           HZ1      LYS  25   5.719 -11.055  -4.744
  202   3HZ   LYS  25           HZ3      LYS  25   7.124 -10.391  -5.418
  203    H    CYS  26           HN       CYS  26   4.068  -4.168  -4.119
  204    HA   CYS  26           HA       CYS  26   3.592  -4.252  -1.229
  205   1HB   CYS  26           HB2      CYS  26   1.966  -2.321  -1.609
  206   2HB   CYS  26           HB1      CYS  26   3.684  -1.950  -1.602
  207    H    HIS  27           HN       HIS  27   1.854  -5.288  -0.569
  208    HA   HIS  27           HA       HIS  27   0.023  -6.372  -2.579
  209   1HB   HIS  27           HB2      HIS  27   0.414  -7.015   0.352
  210   2HB   HIS  27           HB1      HIS  27  -0.854  -7.721  -0.642
  211    HD1  HIS  27           HD1      HIS  27   2.552  -8.244   0.425
  212    HD2  HIS  27           HD2      HIS  27   0.246  -9.294  -2.872
  213    HE1  HIS  27           HE1      HIS  27   3.774 -10.146  -0.684
  214    HE2  HIS  27           HE2      HIS  27   2.220 -10.923  -2.507
  215    H    CYS  28           HN       CYS  28  -1.384  -4.783  -3.082
  216    HA   CYS  28           HA       CYS  28  -2.747  -3.392  -0.901
  217   1HB   CYS  28           HB2      CYS  28  -2.917  -2.907  -3.883
  218   2HB   CYS  28           HB1      CYS  28  -3.613  -1.892  -2.625
  219    H    THR  29           HN       THR  29  -4.405  -4.431  -0.103
  220    HA   THR  29           HA       THR  29  -5.781  -6.432  -1.659
  221    HB   THR  29           HB       THR  29  -7.053  -6.767   0.514
  222    HG1  THR  29           HG1      THR  29  -5.786  -5.797   2.345
  223   1HG2  THR  29          3HG2      THR  29  -4.037  -6.981   0.561
  224   2HG2  THR  29          2HG2      THR  29  -5.143  -7.859   1.622
  225   3HG2  THR  29          1HG2      THR  29  -5.155  -8.166  -0.115
  226    HA   PRO  30           HA       PRO  30  -8.466  -3.215  -3.137
  227   1HB   PRO  30           HB2      PRO  30  -9.785  -5.466  -4.520
  228   2HB   PRO  30           HB1      PRO  30  -9.037  -4.011  -5.191
  229   1HG   PRO  30           HG2      PRO  30  -7.835  -6.361  -5.451
  230   2HG   PRO  30           HG1      PRO  30  -6.899  -4.898  -5.077
  231   1HD   PRO  30           HD2      PRO  30  -7.842  -7.054  -3.204
  232   2HD   PRO  30           HD1      PRO  30  -6.225  -6.327  -3.347
  233    H    LYS  31           HN       LYS  31 -10.756  -2.819  -3.414
  234    HA   LYS  31           HA       LYS  31 -12.282  -3.811  -1.156
  235   1HB   LYS  31           HB2      LYS  31 -12.854  -1.660  -3.206
  236   2HB   LYS  31           HB1      LYS  31 -13.968  -2.104  -1.919
  237   1HG   LYS  31           HG2      LYS  31 -11.167  -1.085  -1.478
  238   2HG   LYS  31           HG1      LYS  31 -12.626  -0.090  -1.419
  239   1HD   LYS  31           HD2      LYS  31 -13.490  -1.430   0.415
  240   2HD   LYS  31           HD1      LYS  31 -12.077  -2.482   0.335
  241   1HE   LYS  31           HE2      LYS  31 -11.880  -0.864   2.153
  242   2HE   LYS  31           HE1      LYS  31 -10.632  -0.619   0.932
  243   1HZ   LYS  31           HZ3      LYS  31 -13.154   0.947   1.091
  244   2HZ   LYS  31           HZ2      LYS  31 -11.664   1.460   1.722
  245   3HZ   LYS  31           HZ1      LYS  31 -11.844   1.234   0.050

  No H/Q in entry =         245
  Start of MODEL    3
    1    H1   CYS   1           HT3      CYS   1   7.838   1.097  -5.078
    2    H2   CYS   1           HT2      CYS   1   6.904   2.513  -5.053
    3    H3   CYS   1           HT1      CYS   1   8.597   2.614  -4.993
    4    HA   CYS   1           HA       CYS   1   7.722   3.020  -2.822
    5   1HB   CYS   1           HB2      CYS   1   6.364   1.396  -1.661
    6   2HB   CYS   1           HB1      CYS   1   5.590   1.780  -3.192
    7    H    LYS   2           HN       LYS   2   9.310   2.800  -1.404
    8    HA   LYS   2           HA       LYS   2  11.010   0.405  -1.522
    9   1HB   LYS   2           HB2      LYS   2  11.480   2.890   0.126
   10   2HB   LYS   2           HB1      LYS   2  12.655   1.678  -0.355
   11   1HG   LYS   2           HG2      LYS   2  12.666   2.453  -2.599
   12   2HG   LYS   2           HG1      LYS   2  11.268   3.494  -2.309
   13   1HD   LYS   2           HD2      LYS   2  14.020   3.787  -1.105
   14   2HD   LYS   2           HD1      LYS   2  13.286   4.829  -2.327
   15   1HE   LYS   2           HE2      LYS   2  11.569   5.512  -0.746
   16   2HE   LYS   2           HE1      LYS   2  12.226   4.419   0.470
   17   1HZ   LYS   2           HZ1      LYS   2  14.317   5.717   0.361
   18   2HZ   LYS   2           HZ3      LYS   2  13.539   6.830  -0.659
   19   3HZ   LYS   2           HZ2      LYS   2  12.996   6.609   0.933
   20    H    ILE   3           HN       ILE   3   8.724   2.165   0.360
   21    HA   ILE   3           HA       ILE   3   8.917   0.219   2.555
   22    HB   ILE   3           HB       ILE   3   8.094   2.941   3.282
   23   1HG1  ILE   3          2HG1      ILE   3  11.006   2.360   2.690
   24   2HG1  ILE   3          1HG1      ILE   3   9.971   3.450   1.771
   25   1HG2  ILE   3          3HG2      ILE   3   9.950   0.925   4.534
   26   2HG2  ILE   3          2HG2      ILE   3   9.440   2.435   5.289
   27   3HG2  ILE   3          1HG2      ILE   3   8.254   1.179   4.936
   28   1HD1  ILE   3          2HD1      ILE   3  10.746   3.795   4.659
   29   2HD1  ILE   3          1HD1      ILE   3  11.444   4.657   3.287
   30   3HD1  ILE   3          3HD1      ILE   3   9.748   4.895   3.707
   31    H    SER   4           HN       SER   4   6.939   0.101   3.846
   32    HA   SER   4           HA       SER   4   4.746  -0.564   2.506
   33   1HB   SER   4           HB2      SER   4   4.809   0.671   5.257
   34   2HB   SER   4           HB1      SER   4   3.537  -0.351   4.615
   35    HG   SER   4           HG       SER   4   6.039  -1.449   4.391
   36    H    ARG   5           HN       ARG   5   5.431   2.724   3.570
   37    HA   ARG   5           HA       ARG   5   2.786   3.684   3.463
   38   1HB   ARG   5           HB2      ARG   5   3.719   5.867   3.764
   39   2HB   ARG   5           HB1      ARG   5   4.659   4.734   4.725
   40   1HG   ARG   5           HG2      ARG   5   6.330   4.677   2.851
   41   2HG   ARG   5           HG1      ARG   5   5.434   6.007   2.112
   42   1HD   ARG   5           HD2      ARG   5   7.270   6.922   3.350
   43   2HD   ARG   5           HD1      ARG   5   5.775   7.307   4.205
   44    HE   ARG   5           HE       ARG   5   6.799   4.903   5.226
   45   1HH1  ARG   5          1HH1      ARG   5   7.525   8.321   5.183
   46   2HH1  ARG   5          2HH1      ARG   5   8.423   8.287   6.671
   47   1HH2  ARG   5          1HH2      ARG   5   7.963   4.837   7.184
   48   2HH2  ARG   5          2HH2      ARG   5   8.666   6.295   7.813
   49    H    GLN   6           HN       GLN   6   5.206   3.354   0.943
   50    HA   GLN   6           HA       GLN   6   4.079   5.433  -0.690
   51   1HB   GLN   6           HB2      GLN   6   5.999   3.337  -1.663
   52   2HB   GLN   6           HB1      GLN   6   5.791   4.982  -2.245
   53   1HG   GLN   6           HG2      GLN   6   6.652   5.763  -0.032
   54   2HG   GLN   6           HG1      GLN   6   7.021   4.078   0.335
   55   1HE2  GLN   6          1HE2      GLN   6   7.317   5.714  -2.764
   56   2HE2  GLN   6          2HE2      GLN   6   9.039   5.564  -2.884
   57    H    CYS   7           HN       CYS   7   2.961   2.428  -0.015
   58    HA   CYS   7           HA       CYS   7   1.341   2.524  -2.471
   59   1HB   CYS   7           HB2      CYS   7   2.432   0.088  -1.069
   60   2HB   CYS   7           HB1      CYS   7   1.033  -0.002  -2.132
   61    H    LEU   8           HN       LEU   8   1.476   2.680   0.871
   62    HA   LEU   8           HA       LEU   8  -0.945   1.430   1.597
   63   1HB   LEU   8           HB2      LEU   8   0.847   1.955   3.195
   64   2HB   LEU   8           HB1      LEU   8   0.543   3.666   2.975
   65    HG   LEU   8           HG       LEU   8  -1.712   3.381   3.926
   66   1HD1  LEU   8          2HD1      LEU   8  -2.082   1.051   3.304
   67   2HD1  LEU   8          1HD1      LEU   8  -0.822   0.539   4.427
   68   3HD1  LEU   8          3HD1      LEU   8  -2.301   1.282   5.038
   69   1HD2  LEU   8          2HD2      LEU   8   0.154   4.026   5.361
   70   2HD2  LEU   8          1HD2      LEU   8  -1.002   3.022   6.238
   71   3HD2  LEU   8          3HD2      LEU   8   0.515   2.327   5.668
   72    H    LYS   9           HN       LYS   9  -0.152   4.854   0.981
   73    HA   LYS   9           HA       LYS   9  -2.944   5.495   1.177
   74   1HB   LYS   9           HB2      LYS   9  -2.347   7.806   0.942
   75   2HB   LYS   9           HB1      LYS   9  -1.357   7.022   2.138
   76   1HG   LYS   9           HG2      LYS   9   0.132   8.383   1.130
   77   2HG   LYS   9           HG1      LYS   9   0.380   6.885   0.257
   78   1HD   LYS   9           HD2      LYS   9  -0.993   7.695  -1.588
   79   2HD   LYS   9           HD1      LYS   9  -1.367   9.164  -0.680
   80   1HE   LYS   9           HE2      LYS   9   1.011   9.766  -0.688
   81   2HE   LYS   9           HE1      LYS   9   1.378   8.305  -1.602
   82   1HZ   LYS   9           HZ1      LYS   9   0.008   9.154  -3.416
   83   2HZ   LYS   9           HZ3      LYS   9  -0.313  10.568  -2.532
   84   3HZ   LYS   9           HZ2      LYS   9   1.267  10.223  -3.039
   85    HA   PRO  10           HA       PRO  10  -2.232   6.279  -3.626
   86   1HB   PRO  10           HB2      PRO  10  -0.479   3.914  -4.076
   87   2HB   PRO  10           HB1      PRO  10  -0.457   5.502  -4.855
   88   1HG   PRO  10           HG2      PRO  10   1.393   4.868  -3.058
   89   2HG   PRO  10           HG1      PRO  10   0.686   6.497  -3.083
   90   1HD   PRO  10           HD2      PRO  10   0.080   4.202  -1.253
   91   2HD   PRO  10           HD1      PRO  10   0.247   5.925  -0.865
   92    H    CYS  11           HN       CYS  11  -1.907   2.899  -2.477
   93    HA   CYS  11           HA       CYS  11  -3.762   1.879  -4.350
   94   1HB   CYS  11           HB2      CYS  11  -2.759   0.735  -1.743
   95   2HB   CYS  11           HB1      CYS  11  -3.784  -0.148  -2.870
   96    H    LYS  12           HN       LYS  12  -4.120   2.971  -0.985
   97    HA   LYS  12           HA       LYS  12  -6.807   2.044  -0.812
   98   1HB   LYS  12           HB2      LYS  12  -5.474   2.313   1.200
   99   2HB   LYS  12           HB1      LYS  12  -5.355   4.050   0.916
  100   1HG   LYS  12           HG2      LYS  12  -7.604   4.400   1.418
  101   2HG   LYS  12           HG1      LYS  12  -8.004   2.694   1.200
  102   1HD   LYS  12           HD2      LYS  12  -8.051   3.127   3.540
  103   2HD   LYS  12           HD1      LYS  12  -6.583   2.209   3.216
  104   1HE   LYS  12           HE2      LYS  12  -6.650   5.211   3.454
  105   2HE   LYS  12           HE1      LYS  12  -6.337   4.139   4.815
  106   1HZ   LYS  12           HZ2      LYS  12  -4.477   3.213   3.366
  107   2HZ   LYS  12           HZ1      LYS  12  -4.677   4.600   2.417
  108   3HZ   LYS  12           HZ3      LYS  12  -4.241   4.744   4.050
  109    H    ASP  13           HN       ASP  13  -5.313   5.035  -1.802
  110    HA   ASP  13           HA       ASP  13  -7.704   6.555  -2.019
  111   1HB   ASP  13           HB2      ASP  13  -5.475   7.600  -1.997
  112   2HB   ASP  13           HB1      ASP  13  -5.084   6.811  -3.520
  113    H    ALA  14           HN       ALA  14  -6.134   4.165  -3.984
  114    HA   ALA  14           HA       ALA  14  -7.814   4.602  -6.292
  115   1HB   ALA  14           HB3      ALA  14  -5.919   2.335  -5.683
  116   2HB   ALA  14           HB1      ALA  14  -5.512   3.808  -6.563
  117   3HB   ALA  14           HB2      ALA  14  -6.676   2.669  -7.239
  118    H    GLY  15           HN       GLY  15  -8.379   3.268  -3.325
  119   1HA   GLY  15           HA1      GLY  15 -10.673   1.805  -4.422
  120   2HA   GLY  15           HA2      GLY  15 -10.557   2.462  -2.799
  121    H    MET  16           HN       MET  16  -8.017   1.372  -2.111
  122    HA   MET  16           HA       MET  16  -8.817  -1.451  -1.830
  123   1HB   MET  16           HB2      MET  16  -5.939  -0.546  -1.959
  124   2HB   MET  16           HB1      MET  16  -6.568  -2.190  -2.037
  125   1HG   MET  16           HG2      MET  16  -7.659  -1.563  -4.206
  126   2HG   MET  16           HG1      MET  16  -6.781  -0.039  -4.115
  127   1HE   MET  16           HE1      MET  16  -5.776  -0.492  -6.522
  128   2HE   MET  16           HE3      MET  16  -4.907  -1.963  -6.956
  129   3HE   MET  16           HE2      MET  16  -6.634  -2.029  -6.607
  130    H    ARG  17           HN       ARG  17  -8.523  -2.336   0.209
  131    HA   ARG  17           HA       ARG  17  -8.489  -0.311   2.271
  132   1HB   ARG  17           HB2      ARG  17  -8.997  -2.332   3.767
  133   2HB   ARG  17           HB1      ARG  17 -10.219  -1.777   2.641
  134   1HG   ARG  17           HG2      ARG  17  -9.577  -3.564   1.086
  135   2HG   ARG  17           HG1      ARG  17  -8.394  -4.140   2.264
  136   1HD   ARG  17           HD2      ARG  17 -10.082  -4.711   3.818
  137   2HD   ARG  17           HD1      ARG  17 -11.314  -3.839   2.911
  138    HE   ARG  17           HE       ARG  17 -10.098  -6.022   1.468
  139   1HH1  ARG  17          1HH1      ARG  17 -12.663  -5.036   3.636
  140   2HH1  ARG  17          2HH1      ARG  17 -13.692  -6.386   3.246
  141   1HH2  ARG  17          1HH2      ARG  17 -11.471  -7.792   0.930
  142   2HH2  ARG  17          2HH2      ARG  17 -13.024  -7.932   1.697
  143    H    PHE  18           HN       PHE  18  -6.471  -3.004   1.295
  144    HA   PHE  18           HA       PHE  18  -4.517  -2.117   3.319
  145   1HB   PHE  18           HB2      PHE  18  -4.864  -4.862   2.095
  146   2HB   PHE  18           HB1      PHE  18  -3.508  -4.397   3.116
  147    HD1  PHE  18           HD1      PHE  18  -3.906  -3.828   5.499
  148    HD2  PHE  18           HD2      PHE  18  -6.955  -5.457   3.016
  149    HE1  PHE  18           HE1      PHE  18  -5.186  -4.473   7.497
  150    HE2  PHE  18           HE2      PHE  18  -8.240  -6.097   5.013
  151    HZ   PHE  18           HZ       PHE  18  -7.356  -5.607   7.256
  152    H    GLY  19           HN       GLY  19  -2.259  -2.203   2.661
  153   1HA   GLY  19           HA1      GLY  19  -1.768  -0.984   0.201
  154   2HA   GLY  19           HA2      GLY  19  -1.455  -2.701   0.001
  155    H    LYS  20           HN       LYS  20  -0.031  -3.638   1.847
  156    HA   LYS  20           HA       LYS  20   1.913  -1.707   2.854
  157   1HB   LYS  20           HB2      LYS  20   1.209  -4.501   3.464
  158   2HB   LYS  20           HB1      LYS  20   2.930  -4.159   3.515
  159   1HG   LYS  20           HG2      LYS  20   2.385  -3.731   5.675
  160   2HG   LYS  20           HG1      LYS  20   2.140  -2.127   4.985
  161   1HD   LYS  20           HD2      LYS  20  -0.220  -2.438   4.898
  162   2HD   LYS  20           HD1      LYS  20  -0.066  -4.154   5.290
  163   1HE   LYS  20           HE2      LYS  20   0.962  -3.445   7.474
  164   2HE   LYS  20           HE1      LYS  20   0.496  -1.791   7.073
  165   1HZ   LYS  20           HZ3      LYS  20  -1.415  -4.056   7.243
  166   2HZ   LYS  20           HZ2      LYS  20  -1.100  -2.986   8.523
  167   3HZ   LYS  20           HZ1      LYS  20  -1.788  -2.408   7.084
  168    H    CYS  21           HN       CYS  21   3.813  -1.308   1.919
  169    HA   CYS  21           HA       CYS  21   4.816  -3.198  -0.103
  170   1HB   CYS  21           HB2      CYS  21   4.539  -0.902  -0.939
  171   2HB   CYS  21           HB1      CYS  21   5.579  -0.299   0.350
  172    H    MET  22           HN       MET  22   6.831  -4.071   0.075
  173    HA   MET  22           HA       MET  22   8.595  -3.047   2.173
  174   1HB   MET  22           HB2      MET  22   7.386  -5.067   3.055
  175   2HB   MET  22           HB1      MET  22   8.105  -6.007   1.752
  176   1HG   MET  22           HG2      MET  22   9.334  -6.312   3.814
  177   2HG   MET  22           HG1      MET  22  10.332  -5.496   2.610
  178   1HE   MET  22           HE1      MET  22  11.103  -5.612   5.645
  179   2HE   MET  22           HE3      MET  22  12.072  -4.708   4.480
  180   3HE   MET  22           HE2      MET  22  11.571  -3.947   5.991
  181    H    ASN  23           HN       ASN  23  10.542  -2.680   1.373
  182    HA   ASN  23           HA       ASN  23  12.384  -2.684   0.064
  183   1HB   ASN  23           HB2      ASN  23  12.599  -5.055   0.360
  184   2HB   ASN  23           HB1      ASN  23  11.338  -5.374  -0.829
  185   1HD2  ASN  23          1HD2      ASN  23  14.621  -4.300  -0.354
  186   2HD2  ASN  23          2HD2      ASN  23  15.147  -4.548  -1.987
  187    H    GLY  24           HN       GLY  24  10.026  -4.260  -2.100
  188   1HA   GLY  24           HA1      GLY  24  10.670  -3.044  -4.447
  189   2HA   GLY  24           HA2      GLY  24   9.681  -1.842  -3.632
  190    H    LYS  25           HN       LYS  25   8.245  -4.235  -2.341
  191    HA   LYS  25           HA       LYS  25   6.390  -4.616  -4.577
  192   1HB   LYS  25           HB2      LYS  25   5.983  -6.948  -3.781
  193   2HB   LYS  25           HB1      LYS  25   7.580  -6.689  -4.466
  194   1HG   LYS  25           HG2      LYS  25   8.606  -6.731  -2.330
  195   2HG   LYS  25           HG1      LYS  25   7.048  -6.628  -1.508
  196   1HD   LYS  25           HD2      LYS  25   7.991  -8.909  -1.460
  197   2HD   LYS  25           HD1      LYS  25   6.440  -8.834  -2.296
  198   1HE   LYS  25           HE2      LYS  25   7.627  -8.780  -4.450
  199   2HE   LYS  25           HE1      LYS  25   9.163  -8.916  -3.592
  200   1HZ   LYS  25           HZ3      LYS  25   6.980 -10.924  -3.444
  201   2HZ   LYS  25           HZ2      LYS  25   8.327 -11.044  -4.472
  202   3HZ   LYS  25           HZ1      LYS  25   8.541 -11.065  -2.789
  203    H    CYS  26           HN       CYS  26   4.353  -4.138  -4.078
  204    HA   CYS  26           HA       CYS  26   3.585  -4.249  -1.250
  205   1HB   CYS  26           HB2      CYS  26   2.072  -2.281  -1.712
  206   2HB   CYS  26           HB1      CYS  26   3.791  -1.939  -1.640
  207    H    HIS  27           HN       HIS  27   1.872  -5.392  -0.814
  208    HA   HIS  27           HA       HIS  27   0.124  -6.191  -3.019
  209   1HB   HIS  27           HB2      HIS  27  -0.737  -7.940  -1.526
  210   2HB   HIS  27           HB1      HIS  27   1.009  -8.047  -1.680
  211    HD1  HIS  27           HD1      HIS  27   2.408  -7.216   0.446
  212    HD2  HIS  27           HD2      HIS  27  -1.675  -7.722   1.035
  213    HE1  HIS  27           HE1      HIS  27   2.089  -7.307   2.942
  214    HE2  HIS  27           HE2      HIS  27  -0.368  -7.759   3.272
  215    H    CYS  28           HN       CYS  28  -1.545  -4.946  -3.343
  216    HA   CYS  28           HA       CYS  28  -2.816  -3.653  -1.026
  217   1HB   CYS  28           HB2      CYS  28  -3.071  -2.802  -3.920
  218   2HB   CYS  28           HB1      CYS  28  -3.534  -1.899  -2.485
  219    H    THR  29           HN       THR  29  -4.676  -4.526  -0.443
  220    HA   THR  29           HA       THR  29  -6.096  -6.196  -2.373
  221    HB   THR  29           HB       THR  29  -7.276  -7.108  -0.369
  222    HG1  THR  29           HG1      THR  29  -6.587  -6.503   1.666
  223   1HG2  THR  29          1HG2      THR  29  -5.295  -8.234  -1.268
  224   2HG2  THR  29          3HG2      THR  29  -4.253  -7.226  -0.262
  225   3HG2  THR  29          2HG2      THR  29  -5.356  -8.382   0.489
  226    HA   PRO  30           HA       PRO  30  -8.789  -2.648  -2.824
  227   1HB   PRO  30           HB2      PRO  30 -10.228  -4.582  -4.555
  228   2HB   PRO  30           HB1      PRO  30  -9.634  -2.959  -4.927
  229   1HG   PRO  30           HG2      PRO  30  -8.369  -5.073  -5.892
  230   2HG   PRO  30           HG1      PRO  30  -7.446  -3.698  -5.243
  231   1HD   PRO  30           HD2      PRO  30  -8.098  -6.324  -3.930
  232   2HD   PRO  30           HD1      PRO  30  -6.540  -5.467  -4.013
  233    H    LYS  31           HN       LYS  31 -11.179  -2.315  -2.818
  234    HA   LYS  31           HA       LYS  31 -12.467  -4.151  -0.910
  235   1HB   LYS  31           HB2      LYS  31 -13.697  -2.067  -0.098
  236   2HB   LYS  31           HB1      LYS  31 -11.999  -2.208   0.338
  237   1HG   LYS  31           HG2      LYS  31 -11.404  -0.682  -1.471
  238   2HG   LYS  31           HG1      LYS  31 -13.104  -0.543  -1.915
  239   1HD   LYS  31           HD2      LYS  31 -12.388   1.364  -0.583
  240   2HD   LYS  31           HD1      LYS  31 -13.597   0.412   0.281
  241   1HE   LYS  31           HE2      LYS  31 -11.907  -0.602   1.646
  242   2HE   LYS  31           HE1      LYS  31 -10.625   0.152   0.700
  243   1HZ   LYS  31           HZ2      LYS  31 -12.654   1.734   2.173
  244   2HZ   LYS  31           HZ1      LYS  31 -11.184   1.252   2.877
  245   3HZ   LYS  31           HZ3      LYS  31 -11.184   2.266   1.515

  No H/Q in entry =         245
  Start of MODEL    4
    1    H1   CYS   1           HT3      CYS   1   9.384   2.866  -4.030
    2    H2   CYS   1           HT2      CYS   1   8.525   1.482  -4.509
    3    H3   CYS   1           HT1      CYS   1   7.730   2.970  -4.388
    4    HA   CYS   1           HA       CYS   1   8.089   3.019  -2.002
    5   1HB   CYS   1           HB2      CYS   1   6.542   1.216  -1.422
    6   2HB   CYS   1           HB1      CYS   1   6.027   2.030  -2.896
    7    H    LYS   2           HN       LYS   2   9.680   2.708  -0.661
    8    HA   LYS   2           HA       LYS   2  11.030   0.105  -0.549
    9   1HB   LYS   2           HB2      LYS   2  11.591   2.362   1.347
   10   2HB   LYS   2           HB1      LYS   2  12.694   1.144   0.724
   11   1HG   LYS   2           HG2      LYS   2  11.579   3.457  -0.849
   12   2HG   LYS   2           HG1      LYS   2  13.192   3.377  -0.138
   13   1HD   LYS   2           HD2      LYS   2  13.861   1.657  -1.594
   14   2HD   LYS   2           HD1      LYS   2  12.200   1.315  -2.085
   15   1HE   LYS   2           HE2      LYS   2  12.065   3.476  -3.191
   16   2HE   LYS   2           HE1      LYS   2  13.710   3.856  -2.673
   17   1HZ   LYS   2           HZ1      LYS   2  12.958   1.602  -4.457
   18   2HZ   LYS   2           HZ3      LYS   2  13.618   3.076  -4.971
   19   3HZ   LYS   2           HZ2      LYS   2  14.533   2.034  -3.999
   20    H    ILE   3           HN       ILE   3   8.633   2.055   0.814
   21    HA   ILE   3           HA       ILE   3   8.262   0.276   3.108
   22    HB   ILE   3           HB       ILE   3   7.472   2.557   4.192
   23   1HG1  ILE   3          2HG1      ILE   3   9.712   3.411   2.358
   24   2HG1  ILE   3          1HG1      ILE   3   8.029   3.913   2.226
   25   1HG2  ILE   3          3HG2      ILE   3   9.069   1.028   5.184
   26   2HG2  ILE   3          2HG2      ILE   3  10.333   1.621   4.105
   27   3HG2  ILE   3          1HG2      ILE   3   9.647   2.686   5.331
   28   1HD1  ILE   3          2HD1      ILE   3   9.866   4.516   4.534
   29   2HD1  ILE   3          1HD1      ILE   3   9.412   5.635   3.248
   30   3HD1  ILE   3          3HD1      ILE   3   8.191   5.045   4.374
   31    H    SER   4           HN       SER   4   6.161   0.308   4.028
   32    HA   SER   4           HA       SER   4   4.101  -0.264   2.508
   33   1HB   SER   4           HB2      SER   4   3.702   1.306   5.042
   34   2HB   SER   4           HB1      SER   4   2.741  -0.027   4.408
   35    HG   SER   4           HG       SER   4   4.025  -0.894   5.979
   36    H    ARG   5           HN       ARG   5   4.883   3.033   3.454
   37    HA   ARG   5           HA       ARG   5   2.375   4.206   3.015
   38   1HB   ARG   5           HB2      ARG   5   5.031   5.602   2.751
   39   2HB   ARG   5           HB1      ARG   5   3.493   6.300   3.238
   40   1HG   ARG   5           HG2      ARG   5   3.558   5.229   5.336
   41   2HG   ARG   5           HG1      ARG   5   4.877   4.168   4.832
   42   1HD   ARG   5           HD2      ARG   5   6.298   6.202   4.564
   43   2HD   ARG   5           HD1      ARG   5   4.992   7.144   5.290
   44    HE   ARG   5           HE       ARG   5   5.466   5.110   7.067
   45   1HH1  ARG   5          1HH1      ARG   5   7.318   7.744   5.686
   46   2HH1  ARG   5          2HH1      ARG   5   8.454   7.810   7.003
   47   1HH2  ARG   5          1HH2      ARG   5   6.947   5.186   8.786
   48   2HH2  ARG   5          2HH2      ARG   5   8.262   6.323   8.760
   49    H    GLN   6           HN       GLN   6   5.074   3.675   0.844
   50    HA   GLN   6           HA       GLN   6   4.200   5.595  -1.082
   51   1HB   GLN   6           HB2      GLN   6   6.312   3.449  -1.226
   52   2HB   GLN   6           HB1      GLN   6   6.062   4.684  -2.455
   53   1HG   GLN   6           HG2      GLN   6   6.581   6.403  -0.800
   54   2HG   GLN   6           HG1      GLN   6   6.811   5.149   0.416
   55   1HE2  GLN   6          1HE2      GLN   6   8.130   6.680  -2.401
   56   2HE2  GLN   6          2HE2      GLN   6   9.712   5.982  -2.286
   57    H    CYS   7           HN       CYS   7   2.993   2.620  -0.342
   58    HA   CYS   7           HA       CYS   7   1.652   2.568  -2.963
   59   1HB   CYS   7           HB2      CYS   7   2.499   0.232  -1.254
   60   2HB   CYS   7           HB1      CYS   7   1.205   0.088  -2.436
   61    H    LEU   8           HN       LEU   8   1.418   3.128   0.291
   62    HA   LEU   8           HA       LEU   8  -1.005   1.862   0.985
   63   1HB   LEU   8           HB2      LEU   8   0.668   2.704   2.615
   64   2HB   LEU   8           HB1      LEU   8   0.226   4.344   2.186
   65    HG   LEU   8           HG       LEU   8  -2.051   3.954   3.025
   66   1HD1  LEU   8          3HD1      LEU   8  -0.972   1.267   3.869
   67   2HD1  LEU   8          2HD1      LEU   8  -2.543   1.935   4.315
   68   3HD1  LEU   8          1HD1      LEU   8  -2.192   1.555   2.628
   69   1HD2  LEU   8          1HD2      LEU   8   0.139   3.293   4.986
   70   2HD2  LEU   8          3HD2      LEU   8  -0.386   4.909   4.509
   71   3HD2  LEU   8          2HD2      LEU   8  -1.480   3.854   5.406
   72    H    LYS   9           HN       LYS   9  -0.251   5.128  -0.185
   73    HA   LYS   9           HA       LYS   9  -3.033   5.834  -0.260
   74   1HB   LYS   9           HB2      LYS   9  -1.253   7.427  -1.943
   75   2HB   LYS   9           HB1      LYS   9  -2.405   7.932  -0.719
   76   1HG   LYS   9           HG2      LYS   9  -0.608   6.918   0.901
   77   2HG   LYS   9           HG1      LYS   9   0.444   7.240  -0.484
   78   1HD   LYS   9           HD2      LYS   9  -1.382   9.251   0.832
   79   2HD   LYS   9           HD1      LYS   9   0.356   9.132   1.122
   80   1HE   LYS   9           HE2      LYS   9  -0.845   9.600  -1.600
   81   2HE   LYS   9           HE1      LYS   9  -0.374  10.907  -0.516
   82   1HZ   LYS   9           HZ2      LYS   9   1.446   8.805  -1.571
   83   2HZ   LYS   9           HZ1      LYS   9   1.352  10.403  -2.125
   84   3HZ   LYS   9           HZ3      LYS   9   1.890  10.086  -0.550
   85    HA   PRO  10           HA       PRO  10  -2.120   5.501  -5.107
   86   1HB   PRO  10           HB2      PRO  10  -0.198   3.232  -4.880
   87   2HB   PRO  10           HB1      PRO  10  -0.266   4.544  -6.055
   88   1HG   PRO  10           HG2      PRO  10   1.533   4.576  -4.118
   89   2HG   PRO  10           HG1      PRO  10   0.721   6.065  -4.639
   90   1HD   PRO  10           HD2      PRO  10   0.279   4.417  -2.198
   91   2HD   PRO  10           HD1      PRO  10   0.171   6.177  -2.411
   92    H    CYS  11           HN       CYS  11  -2.213   2.812  -2.814
   93    HA   CYS  11           HA       CYS  11  -4.125   1.466  -4.597
   94   1HB   CYS  11           HB2      CYS  11  -2.700   0.390  -2.161
   95   2HB   CYS  11           HB1      CYS  11  -3.769  -0.525  -3.217
   96    H    LYS  12           HN       LYS  12  -3.743   2.290  -1.109
   97    HA   LYS  12           HA       LYS  12  -6.458   1.413  -0.655
   98   1HB   LYS  12           HB2      LYS  12  -4.915   0.798   1.032
   99   2HB   LYS  12           HB1      LYS  12  -4.330   2.450   1.209
  100   1HG   LYS  12           HG2      LYS  12  -6.317   3.129   2.281
  101   2HG   LYS  12           HG1      LYS  12  -7.151   1.645   1.814
  102   1HD   LYS  12           HD2      LYS  12  -5.552   0.369   3.223
  103   2HD   LYS  12           HD1      LYS  12  -4.871   1.903   3.770
  104   1HE   LYS  12           HE2      LYS  12  -6.806   2.489   4.922
  105   2HE   LYS  12           HE1      LYS  12  -7.805   1.349   4.021
  106   1HZ   LYS  12           HZ2      LYS  12  -6.648  -0.466   5.135
  107   2HZ   LYS  12           HZ1      LYS  12  -5.727   0.639   6.033
  108   3HZ   LYS  12           HZ3      LYS  12  -7.408   0.550   6.251
  109    H    ASP  13           HN       ASP  13  -4.729   4.496  -0.657
  110    HA   ASP  13           HA       ASP  13  -6.944   6.090   0.104
  111   1HB   ASP  13           HB2      ASP  13  -4.673   6.998   0.149
  112   2HB   ASP  13           HB1      ASP  13  -4.523   6.777  -1.588
  113    H    ALA  14           HN       ALA  14  -6.016   4.523  -2.831
  114    HA   ALA  14           HA       ALA  14  -7.771   5.975  -4.568
  115   1HB   ALA  14           HB3      ALA  14  -6.484   3.270  -4.938
  116   2HB   ALA  14           HB1      ALA  14  -5.791   4.817  -5.423
  117   3HB   ALA  14           HB2      ALA  14  -7.262   4.229  -6.197
  118    H    GLY  15           HN       GLY  15  -7.950   2.905  -2.793
  119   1HA   GLY  15           HA1      GLY  15 -10.649   2.444  -3.764
  120   2HA   GLY  15           HA2      GLY  15 -10.526   2.901  -2.078
  121    H    MET  16           HN       MET  16  -7.843   1.357  -2.061
  122    HA   MET  16           HA       MET  16  -9.024  -1.326  -1.962
  123   1HB   MET  16           HB2      MET  16  -6.100  -0.585  -1.756
  124   2HB   MET  16           HB1      MET  16  -6.765  -2.208  -1.887
  125   1HG   MET  16           HG2      MET  16  -7.797  -1.164  -4.109
  126   2HG   MET  16           HG1      MET  16  -6.376  -0.134  -3.947
  127   1HE   MET  16           HE2      MET  16  -5.495  -0.963  -6.301
  128   2HE   MET  16           HE1      MET  16  -5.290  -2.663  -6.722
  129   3HE   MET  16           HE3      MET  16  -6.907  -2.005  -6.473
  130    H    ARG  17           HN       ARG  17  -8.337  -2.691  -0.141
  131    HA   ARG  17           HA       ARG  17  -8.931  -1.334   2.328
  132   1HB   ARG  17           HB2      ARG  17  -8.273  -4.239   1.832
  133   2HB   ARG  17           HB1      ARG  17  -9.041  -3.558   3.259
  134   1HG   ARG  17           HG2      ARG  17 -11.033  -3.128   2.139
  135   2HG   ARG  17           HG1      ARG  17 -10.266  -3.245   0.555
  136   1HD   ARG  17           HD2      ARG  17 -11.564  -5.204   0.844
  137   2HD   ARG  17           HD1      ARG  17  -9.877  -5.673   1.028
  138    HE   ARG  17           HE       ARG  17 -10.457  -5.384   3.550
  139   1HH1  ARG  17          1HH1      ARG  17 -12.547  -6.623   1.037
  140   2HH1  ARG  17          2HH1      ARG  17 -13.406  -7.707   2.090
  141   1HH2  ARG  17          1HH2      ARG  17 -11.599  -6.779   4.966
  142   2HH2  ARG  17          2HH2      ARG  17 -12.854  -7.806   4.338
  143    H    PHE  18           HN       PHE  18  -6.208  -2.956   0.849
  144    HA   PHE  18           HA       PHE  18  -4.454  -1.782   2.878
  145   1HB   PHE  18           HB2      PHE  18  -4.406  -4.675   1.992
  146   2HB   PHE  18           HB1      PHE  18  -3.100  -3.903   2.878
  147    HD1  PHE  18           HD1      PHE  18  -3.753  -2.799   5.137
  148    HD2  PHE  18           HD2      PHE  18  -6.085  -5.750   3.148
  149    HE1  PHE  18           HE1      PHE  18  -4.860  -3.351   7.263
  150    HE2  PHE  18           HE2      PHE  18  -7.198  -6.307   5.270
  151    HZ   PHE  18           HZ       PHE  18  -6.586  -5.107   7.332
  152    H    GLY  19           HN       GLY  19  -2.118  -1.967   2.133
  153   1HA   GLY  19           HA1      GLY  19  -1.866  -0.761  -0.395
  154   2HA   GLY  19           HA2      GLY  19  -1.432  -2.460  -0.530
  155    H    LYS  20           HN       LYS  20  -0.024  -3.092   1.589
  156    HA   LYS  20           HA       LYS  20   1.834  -0.909   2.167
  157   1HB   LYS  20           HB2      LYS  20   2.737  -2.411   3.911
  158   2HB   LYS  20           HB1      LYS  20   1.022  -2.089   4.108
  159   1HG   LYS  20           HG2      LYS  20   0.448  -4.252   3.275
  160   2HG   LYS  20           HG1      LYS  20   2.123  -4.576   2.820
  161   1HD   LYS  20           HD2      LYS  20   2.774  -4.472   5.183
  162   2HD   LYS  20           HD1      LYS  20   1.094  -4.166   5.631
  163   1HE   LYS  20           HE2      LYS  20   0.434  -6.320   4.779
  164   2HE   LYS  20           HE1      LYS  20   2.063  -6.620   4.175
  165   1HZ   LYS  20           HZ1      LYS  20   1.331  -6.278   7.036
  166   2HZ   LYS  20           HZ3      LYS  20   1.634  -7.763   6.268
  167   3HZ   LYS  20           HZ2      LYS  20   2.881  -6.625   6.432
  168    H    CYS  21           HN       CYS  21   3.833  -0.810   1.398
  169    HA   CYS  21           HA       CYS  21   4.802  -3.026  -0.246
  170   1HB   CYS  21           HB2      CYS  21   4.638  -0.743  -1.254
  171   2HB   CYS  21           HB1      CYS  21   5.849  -0.196  -0.096
  172    H    MET  22           HN       MET  22   6.632  -4.087   0.178
  173    HA   MET  22           HA       MET  22   8.554  -2.958   2.070
  174   1HB   MET  22           HB2      MET  22   6.990  -4.676   3.186
  175   2HB   MET  22           HB1      MET  22   7.779  -5.876   2.177
  176   1HG   MET  22           HG2      MET  22   9.254  -4.092   4.098
  177   2HG   MET  22           HG1      MET  22   8.643  -5.692   4.516
  178   1HE   MET  22           HE2      MET  22  11.039  -6.478   5.279
  179   2HE   MET  22           HE1      MET  22  12.487  -6.317   4.288
  180   3HE   MET  22           HE3      MET  22  11.678  -4.878   4.906
  181    H    ASN  23           HN       ASN  23  10.542  -3.026   1.193
  182    HA   ASN  23           HA       ASN  23  12.385  -3.793   0.086
  183   1HB   ASN  23           HB2      ASN  23  12.296  -6.032   0.468
  184   2HB   ASN  23           HB1      ASN  23  10.634  -6.174  -0.083
  185   1HD2  ASN  23          1HD2      ASN  23  13.994  -6.155  -1.054
  186   2HD2  ASN  23          2HD2      ASN  23  13.732  -6.837  -2.628
  187    H    GLY  24           HN       GLY  24   9.324  -3.597  -1.546
  188   1HA   GLY  24           HA1      GLY  24  10.632  -3.271  -4.143
  189   2HA   GLY  24           HA2      GLY  24   9.807  -1.870  -3.475
  190    H    LYS  25           HN       LYS  25   8.345  -4.754  -2.561
  191    HA   LYS  25           HA       LYS  25   6.349  -4.445  -4.697
  192   1HB   LYS  25           HB2      LYS  25   5.787  -6.826  -4.357
  193   2HB   LYS  25           HB1      LYS  25   7.449  -6.603  -4.878
  194   1HG   LYS  25           HG2      LYS  25   8.212  -6.910  -2.573
  195   2HG   LYS  25           HG1      LYS  25   6.541  -7.142  -2.056
  196   1HD   LYS  25           HD2      LYS  25   7.562  -9.300  -2.310
  197   2HD   LYS  25           HD1      LYS  25   6.397  -9.080  -3.619
  198   1HE   LYS  25           HE2      LYS  25   8.396 -10.058  -4.521
  199   2HE   LYS  25           HE1      LYS  25   8.269  -8.397  -5.097
  200   1HZ   LYS  25           HZ3      LYS  25   9.959  -9.298  -2.828
  201   2HZ   LYS  25           HZ2      LYS  25  10.521  -8.956  -4.390
  202   3HZ   LYS  25           HZ1      LYS  25   9.870  -7.721  -3.434
  203    H    CYS  26           HN       CYS  26   4.277  -4.084  -4.113
  204    HA   CYS  26           HA       CYS  26   3.685  -4.170  -1.235
  205   1HB   CYS  26           HB2      CYS  26   1.899  -2.381  -1.940
  206   2HB   CYS  26           HB1      CYS  26   3.561  -1.913  -1.612
  207    H    HIS  27           HN       HIS  27   1.780  -4.969  -0.532
  208    HA   HIS  27           HA       HIS  27   0.169  -6.434  -2.501
  209   1HB   HIS  27           HB2      HIS  27   0.356  -6.673   0.508
  210   2HB   HIS  27           HB1      HIS  27  -0.828  -7.539  -0.463
  211    HD1  HIS  27           HD1      HIS  27   2.459  -7.889   0.939
  212    HD2  HIS  27           HD2      HIS  27   0.504  -9.289  -2.451
  213    HE1  HIS  27           HE1      HIS  27   3.804  -9.865   0.147
  214    HE2  HIS  27           HE2      HIS  27   2.747 -10.517  -2.050
  215    H    CYS  28           HN       CYS  28  -1.386  -5.168  -3.279
  216    HA   CYS  28           HA       CYS  28  -2.884  -3.485  -1.392
  217   1HB   CYS  28           HB2      CYS  28  -2.998  -3.286  -4.399
  218   2HB   CYS  28           HB1      CYS  28  -3.517  -2.101  -3.214
  219    H    THR  29           HN       THR  29  -4.610  -4.523  -0.662
  220    HA   THR  29           HA       THR  29  -5.970  -6.428  -2.413
  221    HB   THR  29           HB       THR  29  -7.137  -7.098  -0.269
  222    HG1  THR  29           HG1      THR  29  -6.426  -6.258   1.628
  223   1HG2  THR  29          2HG2      THR  29  -4.116  -7.292  -0.345
  224   2HG2  THR  29          1HG2      THR  29  -5.182  -8.313   0.627
  225   3HG2  THR  29          3HG2      THR  29  -5.255  -8.388  -1.134
  226    HA   PRO  30           HA       PRO  30  -8.788  -3.009  -3.228
  227   1HB   PRO  30           HB2      PRO  30 -10.223  -5.214  -4.617
  228   2HB   PRO  30           HB1      PRO  30  -9.770  -3.611  -5.213
  229   1HG   PRO  30           HG2      PRO  30  -8.390  -5.707  -6.014
  230   2HG   PRO  30           HG1      PRO  30  -7.544  -4.220  -5.531
  231   1HD   PRO  30           HD2      PRO  30  -7.950  -6.747  -3.958
  232   2HD   PRO  30           HD1      PRO  30  -6.468  -5.790  -4.175
  233    H    LYS  31           HN       LYS  31 -10.952  -2.464  -2.825
  234    HA   LYS  31           HA       LYS  31 -11.924  -3.433  -0.359
  235   1HB   LYS  31           HB2      LYS  31 -12.234  -1.116  -1.239
  236   2HB   LYS  31           HB1      LYS  31 -13.402  -1.752  -2.388
  237   1HG   LYS  31           HG2      LYS  31 -14.553  -0.772  -0.515
  238   2HG   LYS  31           HG1      LYS  31 -14.796  -2.520  -0.508
  239   1HD   LYS  31           HD2      LYS  31 -14.339  -1.687   1.744
  240   2HD   LYS  31           HD1      LYS  31 -13.053  -2.760   1.189
  241   1HE   LYS  31           HE2      LYS  31 -12.134  -0.807   2.318
  242   2HE   LYS  31           HE1      LYS  31 -11.679  -0.825   0.615
  243   1HZ   LYS  31           HZ3      LYS  31 -13.481   0.759   0.182
  244   2HZ   LYS  31           HZ2      LYS  31 -13.835   0.811   1.838
  245   3HZ   LYS  31           HZ1      LYS  31 -12.341   1.380   1.273

  No H/Q in entry =         245
  Start of MODEL    5
    1    H1   CYS   1           HT1      CYS   1   7.770   0.726  -4.868
    2    H2   CYS   1           HT3      CYS   1   6.786   2.106  -4.885
    3    H3   CYS   1           HT2      CYS   1   8.472   2.271  -4.850
    4    HA   CYS   1           HA       CYS   1   7.599   2.725  -2.680
    5   1HB   CYS   1           HB2      CYS   1   6.344   1.045  -1.459
    6   2HB   CYS   1           HB1      CYS   1   5.511   1.455  -2.953
    7    H    LYS   2           HN       LYS   2   9.551   2.851  -1.873
    8    HA   LYS   2           HA       LYS   2  11.243   0.532  -1.550
    9   1HB   LYS   2           HB2      LYS   2  11.417   3.307  -0.347
   10   2HB   LYS   2           HB1      LYS   2  12.671   2.076  -0.248
   11   1HG   LYS   2           HG2      LYS   2  13.074   2.185  -2.590
   12   2HG   LYS   2           HG1      LYS   2  11.653   3.202  -2.842
   13   1HD   LYS   2           HD2      LYS   2  14.145   3.948  -1.313
   14   2HD   LYS   2           HD1      LYS   2  13.674   4.546  -2.905
   15   1HE   LYS   2           HE2      LYS   2  11.602   5.473  -1.863
   16   2HE   LYS   2           HE1      LYS   2  12.250   5.008  -0.291
   17   1HZ   LYS   2           HZ3      LYS   2  14.177   6.434  -0.720
   18   2HZ   LYS   2           HZ2      LYS   2  13.490   6.923  -2.190
   19   3HZ   LYS   2           HZ1      LYS   2  12.724   7.311  -0.726
   20    H    ILE   3           HN       ILE   3   8.680   2.046   0.024
   21    HA   ILE   3           HA       ILE   3   8.981   0.378   2.396
   22    HB   ILE   3           HB       ILE   3   8.071   2.572   3.573
   23   1HG1  ILE   3          2HG1      ILE   3   9.964   3.614   1.465
   24   2HG1  ILE   3          1HG1      ILE   3   8.242   3.962   1.567
   25   1HG2  ILE   3          1HG2      ILE   3   9.924   1.206   4.350
   26   2HG2  ILE   3          3HG2      ILE   3  10.982   1.935   3.142
   27   3HG2  ILE   3          2HG2      ILE   3  10.336   2.918   4.458
   28   1HD1  ILE   3          1HD1      ILE   3  10.317   4.751   3.593
   29   2HD1  ILE   3          3HD1      ILE   3   9.588   5.808   2.388
   30   3HD1  ILE   3          2HD1      ILE   3   8.592   5.121   3.673
   31    H    SER   4           HN       SER   4   7.082   0.030   3.555
   32    HA   SER   4           HA       SER   4   4.862  -0.658   2.289
   33   1HB   SER   4           HB2      SER   4   5.380  -1.054   4.685
   34   2HB   SER   4           HB1      SER   4   4.824   0.579   5.042
   35    HG   SER   4           HG       SER   4   3.331  -1.417   5.150
   36    H    ARG   5           HN       ARG   5   5.414   2.647   3.408
   37    HA   ARG   5           HA       ARG   5   2.703   3.455   3.275
   38   1HB   ARG   5           HB2      ARG   5   5.239   5.092   3.371
   39   2HB   ARG   5           HB1      ARG   5   3.624   5.778   3.473
   40   1HG   ARG   5           HG2      ARG   5   4.287   5.628   5.684
   41   2HG   ARG   5           HG1      ARG   5   3.305   4.181   5.460
   42   1HD   ARG   5           HD2      ARG   5   5.450   2.945   4.988
   43   2HD   ARG   5           HD1      ARG   5   6.306   4.388   5.535
   44    HE   ARG   5           HE       ARG   5   4.324   3.372   7.386
   45   1HH1  ARG   5          1HH1      ARG   5   7.699   3.388   6.435
   46   2HH1  ARG   5          2HH1      ARG   5   8.261   2.720   7.936
   47   1HH2  ARG   5          1HH2      ARG   5   5.067   2.543   9.384
   48   2HH2  ARG   5          2HH2      ARG   5   6.770   2.254   9.618
   49    H    GLN   6           HN       GLN   6   5.154   3.177   0.892
   50    HA   GLN   6           HA       GLN   6   4.272   5.334  -0.763
   51   1HB   GLN   6           HB2      GLN   6   6.046   3.025  -1.524
   52   2HB   GLN   6           HB1      GLN   6   5.945   4.590  -2.322
   53   1HG   GLN   6           HG2      GLN   6   6.951   4.059   0.460
   54   2HG   GLN   6           HG1      GLN   6   7.938   4.412  -0.955
   55   1HE2  GLN   6          1HE2      GLN   6   8.031   6.517  -1.726
   56   2HE2  GLN   6          2HE2      GLN   6   7.475   7.864  -0.799
   57    H    CYS   7           HN       CYS   7   2.997   2.312  -0.198
   58    HA   CYS   7           HA       CYS   7   1.347   2.591  -2.620
   59   1HB   CYS   7           HB2      CYS   7   2.358   0.043  -1.357
   60   2HB   CYS   7           HB1      CYS   7   0.967   0.069  -2.432
   61    H    LEU   8           HN       LEU   8   1.559   2.420   0.743
   62    HA   LEU   8           HA       LEU   8  -0.829   1.196   1.480
   63   1HB   LEU   8           HB2      LEU   8   0.981   1.703   3.045
   64   2HB   LEU   8           HB1      LEU   8   0.669   3.418   2.861
   65    HG   LEU   8           HG       LEU   8  -1.568   3.104   3.865
   66   1HD1  LEU   8          2HD1      LEU   8  -1.922   0.777   3.234
   67   2HD1  LEU   8          1HD1      LEU   8  -0.629   0.277   4.323
   68   3HD1  LEU   8          3HD1      LEU   8  -2.103   0.996   4.974
   69   1HD2  LEU   8          1HD2      LEU   8   0.364   3.742   5.242
   70   2HD2  LEU   8          3HD2      LEU   8  -0.802   2.776   6.142
   71   3HD2  LEU   8          2HD2      LEU   8   0.688   2.038   5.558
   72    H    LYS   9           HN       LYS   9  -0.163   4.701   1.133
   73    HA   LYS   9           HA       LYS   9  -2.961   5.229   1.382
   74   1HB   LYS   9           HB2      LYS   9  -2.471   7.564   1.242
   75   2HB   LYS   9           HB1      LYS   9  -1.373   6.777   2.338
   76   1HG   LYS   9           HG2      LYS   9  -0.067   8.326   1.274
   77   2HG   LYS   9           HG1      LYS   9   0.286   6.829   0.433
   78   1HD   LYS   9           HD2      LYS   9   0.010   8.711  -1.127
   79   2HD   LYS   9           HD1      LYS   9  -1.210   7.463  -1.387
   80   1HE   LYS   9           HE2      LYS   9  -2.244   9.632  -1.502
   81   2HE   LYS   9           HE1      LYS   9  -2.804   8.796  -0.057
   82   1HZ   LYS   9           HZ2      LYS   9  -0.646  10.834  -0.088
   83   2HZ   LYS   9           HZ1      LYS   9  -2.260  11.152   0.320
   84   3HZ   LYS   9           HZ3      LYS   9  -1.331  10.109   1.282
   85    HA   PRO  10           HA       PRO  10  -2.390   6.340  -3.382
   86   1HB   PRO  10           HB2      PRO  10  -0.632   4.021  -4.015
   87   2HB   PRO  10           HB1      PRO  10  -0.650   5.643  -4.718
   88   1HG   PRO  10           HG2      PRO  10   1.255   4.960  -3.014
   89   2HG   PRO  10           HG1      PRO  10   0.510   6.568  -2.917
   90   1HD   PRO  10           HD2      PRO  10   0.010   4.147  -1.224
   91   2HD   PRO  10           HD1      PRO  10   0.153   5.844  -0.720
   92    H    CYS  11           HN       CYS  11  -2.075   2.900  -2.431
   93    HA   CYS  11           HA       CYS  11  -3.919   2.010  -4.388
   94   1HB   CYS  11           HB2      CYS  11  -2.784   0.718  -1.920
   95   2HB   CYS  11           HB1      CYS  11  -3.967  -0.097  -2.937
   96    H    LYS  12           HN       LYS  12  -4.294   2.661  -0.900
   97    HA   LYS  12           HA       LYS  12  -7.022   1.877  -0.884
   98   1HB   LYS  12           HB2      LYS  12  -5.653   1.884   1.152
   99   2HB   LYS  12           HB1      LYS  12  -5.526   3.637   1.074
  100   1HG   LYS  12           HG2      LYS  12  -8.189   2.289   1.241
  101   2HG   LYS  12           HG1      LYS  12  -7.216   2.543   2.690
  102   1HD   LYS  12           HD2      LYS  12  -7.201   4.943   2.275
  103   2HD   LYS  12           HD1      LYS  12  -8.122   4.709   0.789
  104   1HE   LYS  12           HE2      LYS  12  -9.954   3.731   2.138
  105   2HE   LYS  12           HE1      LYS  12  -9.041   4.109   3.598
  106   1HZ   LYS  12           HZ3      LYS  12  -9.107   6.459   2.957
  107   2HZ   LYS  12           HZ2      LYS  12 -10.053   6.067   1.603
  108   3HZ   LYS  12           HZ1      LYS  12 -10.665   5.815   3.164
  109    H    ASP  13           HN       ASP  13  -5.362   4.926  -1.435
  110    HA   ASP  13           HA       ASP  13  -7.637   6.592  -1.525
  111   1HB   ASP  13           HB2      ASP  13  -5.375   7.513  -1.450
  112   2HB   ASP  13           HB1      ASP  13  -5.015   6.810  -3.025
  113    H    ALA  14           HN       ALA  14  -6.134   4.498  -3.907
  114    HA   ALA  14           HA       ALA  14  -7.791   5.296  -6.085
  115   1HB   ALA  14           HB2      ALA  14  -6.237   2.735  -5.724
  116   2HB   ALA  14           HB3      ALA  14  -5.604   4.227  -6.420
  117   3HB   ALA  14           HB1      ALA  14  -6.897   3.350  -7.238
  118    H    GLY  15           HN       GLY  15  -8.010   2.802  -3.593
  119   1HA   GLY  15           HA1      GLY  15 -10.503   1.819  -4.777
  120   2HA   GLY  15           HA2      GLY  15 -10.603   2.588  -3.204
  121    H    MET  16           HN       MET  16  -7.733   1.224  -2.883
  122    HA   MET  16           HA       MET  16  -8.669  -1.490  -2.367
  123   1HB   MET  16           HB2      MET  16  -5.937  -0.408  -1.733
  124   2HB   MET  16           HB1      MET  16  -6.420  -2.086  -1.943
  125   1HG   MET  16           HG2      MET  16  -6.118   0.032  -4.031
  126   2HG   MET  16           HG1      MET  16  -5.227  -1.472  -3.856
  127   1HE   MET  16           HE1      MET  16  -5.607  -1.864  -6.459
  128   2HE   MET  16           HE3      MET  16  -7.199  -1.919  -7.216
  129   3HE   MET  16           HE2      MET  16  -6.578  -0.397  -6.577
  130    H    ARG  17           HN       ARG  17  -8.319  -2.466  -0.215
  131    HA   ARG  17           HA       ARG  17  -8.974  -0.612   1.909
  132   1HB   ARG  17           HB2      ARG  17 -10.073  -2.801   1.703
  133   2HB   ARG  17           HB1      ARG  17  -8.542  -3.597   2.019
  134   1HG   ARG  17           HG2      ARG  17  -8.503  -2.871   4.244
  135   2HG   ARG  17           HG1      ARG  17  -9.756  -1.661   3.963
  136   1HD   ARG  17           HD2      ARG  17 -10.627  -3.600   5.181
  137   2HD   ARG  17           HD1      ARG  17 -11.400  -3.418   3.610
  138    HE   ARG  17           HE       ARG  17  -9.338  -5.431   4.258
  139   1HH1  ARG  17          1HH1      ARG  17 -12.166  -4.403   2.464
  140   2HH1  ARG  17          2HH1      ARG  17 -12.251  -5.851   1.503
  141   1HH2  ARG  17          1HH2      ARG  17  -9.465  -7.358   3.018
  142   2HH2  ARG  17          2HH2      ARG  17 -10.699  -7.525   1.807
  143    H    PHE  18           HN       PHE  18  -6.366  -2.878   1.141
  144    HA   PHE  18           HA       PHE  18  -4.584  -1.272   2.846
  145   1HB   PHE  18           HB2      PHE  18  -4.603  -4.286   2.564
  146   2HB   PHE  18           HB1      PHE  18  -3.332  -3.369   3.365
  147    HD1  PHE  18           HD1      PHE  18  -4.080  -1.846   5.326
  148    HD2  PHE  18           HD2      PHE  18  -6.400  -5.062   3.783
  149    HE1  PHE  18           HE1      PHE  18  -5.337  -1.950   7.436
  150    HE2  PHE  18           HE2      PHE  18  -7.663  -5.168   5.891
  151    HZ   PHE  18           HZ       PHE  18  -7.129  -3.598   7.723
  152    H    GLY  19           HN       GLY  19  -2.234  -1.750   2.281
  153   1HA   GLY  19           HA1      GLY  19  -1.708  -0.972  -0.333
  154   2HA   GLY  19           HA2      GLY  19  -1.549  -2.723  -0.281
  155    H    LYS  20           HN       LYS  20  -0.262  -3.440   1.802
  156    HA   LYS  20           HA       LYS  20   1.723  -1.472   2.580
  157   1HB   LYS  20           HB2      LYS  20   2.502  -3.193   4.192
  158   2HB   LYS  20           HB1      LYS  20   0.815  -2.745   4.384
  159   1HG   LYS  20           HG2      LYS  20   0.100  -4.791   3.344
  160   2HG   LYS  20           HG1      LYS  20   1.768  -5.222   2.964
  161   1HD   LYS  20           HD2      LYS  20   2.308  -5.356   5.322
  162   2HD   LYS  20           HD1      LYS  20   0.682  -4.826   5.750
  163   1HE   LYS  20           HE2      LYS  20  -0.256  -6.847   4.787
  164   2HE   LYS  20           HE1      LYS  20   1.347  -7.366   4.264
  165   1HZ   LYS  20           HZ1      LYS  20   0.648  -6.875   7.106
  166   2HZ   LYS  20           HZ3      LYS  20   0.534  -8.400   6.370
  167   3HZ   LYS  20           HZ2      LYS  20   2.040  -7.629   6.495
  168    H    CYS  21           HN       CYS  21   3.785  -1.445   2.073
  169    HA   CYS  21           HA       CYS  21   4.703  -3.414   0.085
  170   1HB   CYS  21           HB2      CYS  21   4.507  -1.140  -0.800
  171   2HB   CYS  21           HB1      CYS  21   5.567  -0.542   0.476
  172    H    MET  22           HN       MET  22   6.773  -4.226   0.178
  173    HA   MET  22           HA       MET  22   8.440  -3.394   2.443
  174   1HB   MET  22           HB2      MET  22   7.354  -5.512   3.054
  175   2HB   MET  22           HB1      MET  22   7.931  -6.249   1.566
  176   1HG   MET  22           HG2      MET  22  10.240  -5.953   2.314
  177   2HG   MET  22           HG1      MET  22   9.657  -5.239   3.818
  178   1HE   MET  22           HE2      MET  22  11.148  -7.028   5.142
  179   2HE   MET  22           HE1      MET  22  11.018  -8.772   4.907
  180   3HE   MET  22           HE3      MET  22  11.670  -7.753   3.623
  181    H    ASN  23           HN       ASN  23   9.929  -2.307   1.315
  182    HA   ASN  23           HA       ASN  23  11.797  -1.930   0.096
  183   1HB   ASN  23           HB2      ASN  23  12.468  -3.785   1.677
  184   2HB   ASN  23           HB1      ASN  23  12.269  -4.898   0.331
  185   1HD2  ASN  23          1HD2      ASN  23  13.521  -1.617   0.093
  186   2HD2  ASN  23          2HD2      ASN  23  15.120  -2.075  -0.372
  187    H    GLY  24           HN       GLY  24   9.401  -2.584  -1.521
  188   1HA   GLY  24           HA1      GLY  24  10.833  -3.519  -3.917
  189   2HA   GLY  24           HA2      GLY  24  10.125  -1.915  -3.907
  190    H    LYS  25           HN       LYS  25   8.382  -4.384  -2.250
  191    HA   LYS  25           HA       LYS  25   6.512  -4.478  -4.514
  192   1HB   LYS  25           HB2      LYS  25   6.064  -6.854  -4.001
  193   2HB   LYS  25           HB1      LYS  25   7.721  -6.569  -4.507
  194   1HG   LYS  25           HG2      LYS  25   8.360  -6.560  -2.078
  195   2HG   LYS  25           HG1      LYS  25   6.721  -7.110  -1.723
  196   1HD   LYS  25           HD2      LYS  25   8.133  -9.040  -1.824
  197   2HD   LYS  25           HD1      LYS  25   7.116  -9.036  -3.268
  198   1HE   LYS  25           HE2      LYS  25   9.310  -9.586  -3.988
  199   2HE   LYS  25           HE1      LYS  25   9.020  -7.915  -4.475
  200   1HZ   LYS  25           HZ1      LYS  25  10.167  -7.333  -2.283
  201   2HZ   LYS  25           HZ3      LYS  25  10.726  -8.933  -2.291
  202   3HZ   LYS  25           HZ2      LYS  25  11.133  -7.877  -3.558
  203    H    CYS  26           HN       CYS  26   4.548  -3.850  -4.022
  204    HA   CYS  26           HA       CYS  26   3.682  -4.014  -1.212
  205   1HB   CYS  26           HB2      CYS  26   2.097  -2.134  -1.860
  206   2HB   CYS  26           HB1      CYS  26   3.800  -1.722  -1.730
  207    H    HIS  27           HN       HIS  27   1.830  -5.012  -0.723
  208    HA   HIS  27           HA       HIS  27   0.300  -6.162  -2.956
  209   1HB   HIS  27           HB2      HIS  27   0.314  -6.992  -0.042
  210   2HB   HIS  27           HB1      HIS  27  -0.546  -7.801  -1.350
  211    HD1  HIS  27           HD1      HIS  27   2.487  -7.976   0.524
  212    HD2  HIS  27           HD2      HIS  27   1.402  -8.778  -3.410
  213    HE1  HIS  27           HE1      HIS  27   4.320  -9.429  -0.403
  214    HE2  HIS  27           HE2      HIS  27   3.721  -9.782  -2.826
  215    H    CYS  28           HN       CYS  28  -1.417  -5.017  -3.476
  216    HA   CYS  28           HA       CYS  28  -2.796  -3.503  -1.377
  217   1HB   CYS  28           HB2      CYS  28  -2.896  -3.151  -4.383
  218   2HB   CYS  28           HB1      CYS  28  -3.683  -2.115  -3.194
  219    H    THR  29           HN       THR  29  -4.423  -4.557  -0.551
  220    HA   THR  29           HA       THR  29  -5.929  -6.452  -2.163
  221    HB   THR  29           HB       THR  29  -7.020  -6.878   0.159
  222    HG1  THR  29           HG1      THR  29  -4.756  -6.161   1.463
  223   1HG2  THR  29          1HG2      THR  29  -5.447  -8.408  -0.977
  224   2HG2  THR  29          3HG2      THR  29  -4.097  -7.528  -0.257
  225   3HG2  THR  29          2HG2      THR  29  -5.231  -8.402   0.774
  226    HA   PRO  30           HA       PRO  30  -8.827  -3.150  -3.039
  227   1HB   PRO  30           HB2      PRO  30 -10.322  -5.526  -4.053
  228   2HB   PRO  30           HB1      PRO  30  -9.990  -3.977  -4.845
  229   1HG   PRO  30           HG2      PRO  30  -8.588  -6.073  -5.573
  230   2HG   PRO  30           HG1      PRO  30  -7.746  -4.536  -5.256
  231   1HD   PRO  30           HD2      PRO  30  -8.017  -6.932  -3.458
  232   2HD   PRO  30           HD1      PRO  30  -6.558  -6.001  -3.868
  233    H    LYS  31           HN       LYS  31 -10.859  -2.484  -2.409
  234    HA   LYS  31           HA       LYS  31 -11.901  -3.937  -0.072
  235   1HB   LYS  31           HB2      LYS  31 -10.757  -1.744   0.360
  236   2HB   LYS  31           HB1      LYS  31 -12.013  -0.962  -0.589
  237   1HG   LYS  31           HG2      LYS  31 -13.695  -1.682   0.998
  238   2HG   LYS  31           HG1      LYS  31 -12.470  -2.551   1.926
  239   1HD   LYS  31           HD2      LYS  31 -11.302  -0.412   2.319
  240   2HD   LYS  31           HD1      LYS  31 -12.598   0.427   1.461
  241   1HE   LYS  31           HE2      LYS  31 -14.214  -0.363   3.112
  242   2HE   LYS  31           HE1      LYS  31 -12.932  -1.237   3.956
  243   1HZ   LYS  31           HZ1      LYS  31 -13.039   1.704   3.571
  244   2HZ   LYS  31           HZ3      LYS  31 -13.441   0.886   5.003
  245   3HZ   LYS  31           HZ2      LYS  31 -11.844   0.855   4.425

  No H/Q in entry =         245
  Start of MODEL    6
    1    H1   CYS   1           HT1      CYS   1   8.346   1.415  -4.803
    2    H2   CYS   1           HT3      CYS   1   7.527   2.893  -4.648
    3    H3   CYS   1           HT2      CYS   1   9.182   2.797  -4.291
    4    HA   CYS   1           HA       CYS   1   7.963   2.886  -2.253
    5   1HB   CYS   1           HB2      CYS   1   6.307   1.237  -1.678
    6   2HB   CYS   1           HB1      CYS   1   5.846   1.984  -3.201
    7    H    LYS   2           HN       LYS   2   9.643   2.532  -1.093
    8    HA   LYS   2           HA       LYS   2  10.869  -0.127  -1.004
    9   1HB   LYS   2           HB2      LYS   2  12.554   1.026   0.447
   10   2HB   LYS   2           HB1      LYS   2  12.426   1.734  -1.160
   11   1HG   LYS   2           HG2      LYS   2  10.838   3.418  -0.144
   12   2HG   LYS   2           HG1      LYS   2  11.340   2.801   1.428
   13   1HD   LYS   2           HD2      LYS   2  13.603   3.466   1.041
   14   2HD   LYS   2           HD1      LYS   2  13.251   3.869  -0.642
   15   1HE   LYS   2           HE2      LYS   2  11.648   5.593   0.175
   16   2HE   LYS   2           HE1      LYS   2  12.194   5.252   1.818
   17   1HZ   LYS   2           HZ1      LYS   2  14.041   6.088  -0.344
   18   2HZ   LYS   2           HZ3      LYS   2  13.282   7.193   0.695
   19   3HZ   LYS   2           HZ2      LYS   2  14.353   6.037   1.321
   20    H    ILE   3           HN       ILE   3   8.573   1.822   0.440
   21    HA   ILE   3           HA       ILE   3   8.411   0.173   2.835
   22    HB   ILE   3           HB       ILE   3   7.833   2.426   4.005
   23   1HG1  ILE   3          2HG1      ILE   3   9.770   3.340   1.882
   24   2HG1  ILE   3          1HG1      ILE   3   8.085   3.830   2.020
   25   1HG2  ILE   3          1HG2      ILE   3  10.654   1.507   3.502
   26   2HG2  ILE   3          3HG2      ILE   3  10.158   2.577   4.813
   27   3HG2  ILE   3          2HG2      ILE   3   9.563   0.918   4.756
   28   1HD1  ILE   3          3HD1      ILE   3  10.256   4.407   4.024
   29   2HD1  ILE   3          2HD1      ILE   3   9.581   5.547   2.858
   30   3HD1  ILE   3          1HD1      ILE   3   8.567   4.905   4.152
   31    H    SER   4           HN       SER   4   6.407   0.219   3.879
   32    HA   SER   4           HA       SER   4   4.230  -0.269   2.505
   33   1HB   SER   4           HB2      SER   4   4.104   1.189   5.131
   34   2HB   SER   4           HB1      SER   4   3.009  -0.040   4.515
   35    HG   SER   4           HG       SER   4   4.515  -0.855   6.059
   36    H    ARG   5           HN       ARG   5   5.081   3.006   3.550
   37    HA   ARG   5           HA       ARG   5   2.501   4.097   3.237
   38   1HB   ARG   5           HB2      ARG   5   3.567   6.274   3.485
   39   2HB   ARG   5           HB1      ARG   5   4.206   5.125   4.654
   40   1HG   ARG   5           HG2      ARG   5   6.195   4.820   3.268
   41   2HG   ARG   5           HG1      ARG   5   5.551   5.969   2.094
   42   1HD   ARG   5           HD2      ARG   5   6.282   6.544   4.961
   43   2HD   ARG   5           HD1      ARG   5   7.162   7.069   3.528
   44    HE   ARG   5           HE       ARG   5   4.384   7.921   3.732
   45   1HH1  ARG   5          1HH1      ARG   5   7.776   8.743   4.124
   46   2HH1  ARG   5          2HH1      ARG   5   7.472  10.457   4.198
   47   1HH2  ARG   5          1HH2      ARG   5   4.003  10.160   3.780
   48   2HH2  ARG   5          2HH2      ARG   5   5.330  11.260   3.981
   49    H    GLN   6           HN       GLN   6   5.076   3.620   0.943
   50    HA   GLN   6           HA       GLN   6   4.167   5.659  -0.864
   51   1HB   GLN   6           HB2      GLN   6   6.171   3.442  -1.315
   52   2HB   GLN   6           HB1      GLN   6   5.935   4.845  -2.349
   53   1HG   GLN   6           HG2      GLN   6   6.607   6.287  -0.474
   54   2HG   GLN   6           HG1      GLN   6   6.883   4.846   0.500
   55   1HE2  GLN   6          1HE2      GLN   6   7.652   5.173  -2.917
   56   2HE2  GLN   6          2HE2      GLN   6   9.369   5.052  -2.715
   57    H    CYS   7           HN       CYS   7   2.969   2.654  -0.142
   58    HA   CYS   7           HA       CYS   7   1.474   2.676  -2.690
   59   1HB   CYS   7           HB2      CYS   7   2.396   0.322  -1.050
   60   2HB   CYS   7           HB1      CYS   7   1.016   0.194  -2.131
   61    H    LEU   8           HN       LEU   8   1.374   3.267   0.564
   62    HA   LEU   8           HA       LEU   8  -1.109   2.105   1.284
   63   1HB   LEU   8           HB2      LEU   8   0.629   2.896   2.895
   64   2HB   LEU   8           HB1      LEU   8   0.205   4.546   2.480
   65    HG   LEU   8           HG       LEU   8  -2.092   4.139   3.313
   66   1HD1  LEU   8          2HD1      LEU   8  -2.169   1.724   2.957
   67   2HD1  LEU   8          1HD1      LEU   8  -0.959   1.498   4.219
   68   3HD1  LEU   8          3HD1      LEU   8  -2.552   2.140   4.628
   69   1HD2  LEU   8          2HD2      LEU   8  -0.416   5.145   4.766
   70   2HD2  LEU   8          1HD2      LEU   8  -1.518   4.117   5.683
   71   3HD2  LEU   8          3HD2      LEU   8   0.100   3.541   5.287
   72    H    LYS   9           HN       LYS   9  -0.173   5.352   0.190
   73    HA   LYS   9           HA       LYS   9  -2.858   6.304   0.006
   74   1HB   LYS   9           HB2      LYS   9  -0.664   7.365  -1.708
   75   2HB   LYS   9           HB1      LYS   9  -2.036   8.215  -1.015
   76   1HG   LYS   9           HG2      LYS   9  -0.294   7.094   0.996
   77   2HG   LYS   9           HG1      LYS   9   0.513   8.192  -0.110
   78   1HD   LYS   9           HD2      LYS   9  -1.987   8.778   1.471
   79   2HD   LYS   9           HD1      LYS   9  -0.373   9.388   1.843
   80   1HE   LYS   9           HE2      LYS   9  -0.351  10.566  -0.321
   81   2HE   LYS   9           HE1      LYS   9  -1.986   9.986  -0.636
   82   1HZ   LYS   9           HZ1      LYS   9  -2.687  11.159   1.417
   83   2HZ   LYS   9           HZ3      LYS   9  -1.131  11.822   1.534
   84   3HZ   LYS   9           HZ2      LYS   9  -2.111  12.198   0.205
   85    HA   PRO  10           HA       PRO  10  -2.132   5.720  -4.719
   86   1HB   PRO  10           HB2      PRO  10  -0.004   3.697  -4.944
   87   2HB   PRO  10           HB1      PRO  10  -0.171   5.272  -5.724
   88   1HG   PRO  10           HG2      PRO  10   1.646   4.834  -3.821
   89   2HG   PRO  10           HG1      PRO  10   0.831   6.400  -4.018
   90   1HD   PRO  10           HD2      PRO  10   0.291   4.209  -2.064
   91   2HD   PRO  10           HD1      PRO  10   0.319   5.965  -1.811
   92    H    CYS  11           HN       CYS  11  -2.026   2.931  -2.581
   93    HA   CYS  11           HA       CYS  11  -3.794   1.550  -4.496
   94   1HB   CYS  11           HB2      CYS  11  -2.367   0.505  -2.045
   95   2HB   CYS  11           HB1      CYS  11  -3.528  -0.426  -2.975
   96    H    LYS  12           HN       LYS  12  -3.572   2.259  -0.987
   97    HA   LYS  12           HA       LYS  12  -6.152   1.123  -0.563
   98   1HB   LYS  12           HB2      LYS  12  -4.525   0.913   1.174
   99   2HB   LYS  12           HB1      LYS  12  -4.309   2.658   1.262
  100   1HG   LYS  12           HG2      LYS  12  -6.585   2.894   2.111
  101   2HG   LYS  12           HG1      LYS  12  -6.801   1.143   1.991
  102   1HD   LYS  12           HD2      LYS  12  -5.188   0.733   3.673
  103   2HD   LYS  12           HD1      LYS  12  -4.596   2.392   3.615
  104   1HE   LYS  12           HE2      LYS  12  -5.952   1.982   5.611
  105   2HE   LYS  12           HE1      LYS  12  -6.684   3.193   4.562
  106   1HZ   LYS  12           HZ2      LYS  12  -7.487   0.355   4.389
  107   2HZ   LYS  12           HZ1      LYS  12  -8.164   1.386   5.552
  108   3HZ   LYS  12           HZ3      LYS  12  -8.345   1.737   3.905
  109    H    ASP  13           HN       ASP  13  -4.907   4.447  -0.331
  110    HA   ASP  13           HA       ASP  13  -7.413   5.639   0.156
  111   1HB   ASP  13           HB2      ASP  13  -5.384   6.874   0.618
  112   2HB   ASP  13           HB1      ASP  13  -4.900   6.792  -1.075
  113    H    ALA  14           HN       ALA  14  -5.878   4.514  -2.743
  114    HA   ALA  14           HA       ALA  14  -7.477   5.977  -4.588
  115   1HB   ALA  14           HB1      ALA  14  -5.961   3.402  -4.989
  116   2HB   ALA  14           HB2      ALA  14  -5.315   5.027  -5.214
  117   3HB   ALA  14           HB3      ALA  14  -6.602   4.439  -6.265
  118    H    GLY  15           HN       GLY  15  -7.667   2.679  -3.254
  119   1HA   GLY  15           HA1      GLY  15 -10.027   2.018  -4.731
  120   2HA   GLY  15           HA2      GLY  15 -10.415   2.541  -3.100
  121    H    MET  16           HN       MET  16  -7.925   1.394  -1.999
  122    HA   MET  16           HA       MET  16  -8.695  -1.448  -2.151
  123   1HB   MET  16           HB2      MET  16  -5.950  -0.401  -1.413
  124   2HB   MET  16           HB1      MET  16  -6.422  -2.078  -1.635
  125   1HG   MET  16           HG2      MET  16  -6.428  -0.004  -3.807
  126   2HG   MET  16           HG1      MET  16  -5.106  -1.117  -3.480
  127   1HE   MET  16           HE1      MET  16  -6.568  -0.745  -6.311
  128   2HE   MET  16           HE3      MET  16  -5.226  -1.867  -6.070
  129   3HE   MET  16           HE2      MET  16  -6.713  -2.419  -6.839
  130    H    ARG  17           HN       ARG  17  -8.310  -2.655  -0.162
  131    HA   ARG  17           HA       ARG  17  -9.266  -1.225   2.144
  132   1HB   ARG  17           HB2      ARG  17  -9.953  -3.559   1.483
  133   2HB   ARG  17           HB1      ARG  17  -8.339  -4.088   1.932
  134   1HG   ARG  17           HG2      ARG  17  -8.722  -3.443   4.228
  135   2HG   ARG  17           HG1      ARG  17 -10.309  -2.791   3.804
  136   1HD   ARG  17           HD2      ARG  17 -10.509  -5.018   4.796
  137   2HD   ARG  17           HD1      ARG  17 -11.048  -5.016   3.118
  138    HE   ARG  17           HE       ARG  17  -8.392  -5.993   3.950
  139   1HH1  ARG  17          1HH1      ARG  17 -11.317  -6.302   2.028
  140   2HH1  ARG  17          2HH1      ARG  17 -10.756  -7.734   1.204
  141   1HH2  ARG  17          1HH2      ARG  17  -7.679  -7.873   2.862
  142   2HH2  ARG  17          2HH2      ARG  17  -8.718  -8.622   1.679
  143    H    PHE  18           HN       PHE  18  -6.343  -2.985   1.224
  144    HA   PHE  18           HA       PHE  18  -4.808  -1.292   3.066
  145   1HB   PHE  18           HB2      PHE  18  -4.626  -4.307   2.870
  146   2HB   PHE  18           HB1      PHE  18  -3.362  -3.315   3.587
  147    HD1  PHE  18           HD1      PHE  18  -3.881  -1.968   5.622
  148    HD2  PHE  18           HD2      PHE  18  -6.563  -4.882   4.070
  149    HE1  PHE  18           HE1      PHE  18  -5.055  -2.031   7.783
  150    HE2  PHE  18           HE2      PHE  18  -7.740  -4.952   6.227
  151    HZ   PHE  18           HZ       PHE  18  -6.994  -3.521   8.084
  152    H    GLY  19           HN       GLY  19  -2.390  -1.536   2.539
  153   1HA   GLY  19           HA1      GLY  19  -1.966  -0.821  -0.134
  154   2HA   GLY  19           HA2      GLY  19  -1.562  -2.523   0.039
  155    H    LYS  20           HN       LYS  20  -0.004  -3.060   1.807
  156    HA   LYS  20           HA       LYS  20   1.831  -0.820   2.309
  157   1HB   LYS  20           HB2      LYS  20   2.817  -2.197   4.074
  158   2HB   LYS  20           HB1      LYS  20   1.088  -2.011   4.316
  159   1HG   LYS  20           HG2      LYS  20   0.695  -4.236   3.469
  160   2HG   LYS  20           HG1      LYS  20   2.410  -4.427   3.103
  161   1HD   LYS  20           HD2      LYS  20   2.926  -4.161   5.499
  162   2HD   LYS  20           HD1      LYS  20   1.198  -4.043   5.840
  163   1HE   LYS  20           HE2      LYS  20   0.875  -6.289   4.912
  164   2HE   LYS  20           HE1      LYS  20   2.608  -6.406   4.605
  165   1HZ   LYS  20           HZ1      LYS  20   1.348  -6.083   7.281
  166   2HZ   LYS  20           HZ3      LYS  20   1.974  -7.530   6.653
  167   3HZ   LYS  20           HZ2      LYS  20   3.012  -6.228   6.977
  168    H    CYS  21           HN       CYS  21   3.798  -0.759   1.418
  169    HA   CYS  21           HA       CYS  21   4.595  -2.983  -0.297
  170   1HB   CYS  21           HB2      CYS  21   4.500  -0.692  -1.273
  171   2HB   CYS  21           HB1      CYS  21   5.760  -0.194  -0.147
  172    H    MET  22           HN       MET  22   6.414  -4.111  -0.038
  173    HA   MET  22           HA       MET  22   8.348  -3.236   1.986
  174   1HB   MET  22           HB2      MET  22   6.981  -5.026   2.970
  175   2HB   MET  22           HB1      MET  22   7.336  -6.065   1.598
  176   1HG   MET  22           HG2      MET  22   9.676  -6.117   2.203
  177   2HG   MET  22           HG1      MET  22   9.380  -4.997   3.529
  178   1HE   MET  22           HE3      MET  22   7.097  -7.980   2.368
  179   2HE   MET  22           HE2      MET  22   8.720  -8.625   2.138
  180   3HE   MET  22           HE1      MET  22   7.676  -9.289   3.397
  181    H    ASN  23           HN       ASN  23  10.318  -3.093   1.153
  182    HA   ASN  23           HA       ASN  23  12.164  -3.428  -0.119
  183   1HB   ASN  23           HB2      ASN  23  10.704  -5.901  -1.047
  184   2HB   ASN  23           HB1      ASN  23  12.311  -5.459  -1.612
  185   1HD2  ASN  23          1HD2      ASN  23  14.050  -5.547  -0.182
  186   2HD2  ASN  23          2HD2      ASN  23  13.970  -6.470   1.289
  187    H    GLY  24           HN       GLY  24   9.708  -4.662  -2.378
  188   1HA   GLY  24           HA1      GLY  24  10.558  -3.564  -4.677
  189   2HA   GLY  24           HA2      GLY  24   9.804  -2.185  -3.891
  190    H    LYS  25           HN       LYS  25   7.938  -4.432  -2.697
  191    HA   LYS  25           HA       LYS  25   5.971  -4.071  -4.808
  192   1HB   LYS  25           HB2      LYS  25   5.254  -6.450  -4.687
  193   2HB   LYS  25           HB1      LYS  25   6.854  -6.242  -5.382
  194   1HG   LYS  25           HG2      LYS  25   7.914  -7.066  -3.451
  195   2HG   LYS  25           HG1      LYS  25   6.443  -6.926  -2.487
  196   1HD   LYS  25           HD2      LYS  25   6.886  -9.254  -3.064
  197   2HD   LYS  25           HD1      LYS  25   5.400  -8.689  -3.826
  198   1HE   LYS  25           HE2      LYS  25   6.730 -10.042  -5.364
  199   2HE   LYS  25           HE1      LYS  25   6.584  -8.380  -5.934
  200   1HZ   LYS  25           HZ2      LYS  25   8.929  -9.315  -4.383
  201   2HZ   LYS  25           HZ1      LYS  25   8.857  -9.439  -6.076
  202   3HZ   LYS  25           HZ3      LYS  25   8.784  -7.916  -5.336
  203    H    CYS  26           HN       CYS  26   3.914  -3.843  -4.056
  204    HA   CYS  26           HA       CYS  26   3.616  -3.994  -1.140
  205   1HB   CYS  26           HB2      CYS  26   1.633  -2.327  -1.769
  206   2HB   CYS  26           HB1      CYS  26   3.277  -1.774  -1.468
  207    H    HIS  27           HN       HIS  27   1.866  -4.926  -0.237
  208    HA   HIS  27           HA       HIS  27   0.151  -6.507  -1.991
  209   1HB   HIS  27           HB2      HIS  27   0.568  -6.483   0.996
  210   2HB   HIS  27           HB1      HIS  27  -0.755  -7.368   0.244
  211    HD1  HIS  27           HD1      HIS  27   2.590  -7.821   1.373
  212    HD2  HIS  27           HD2      HIS  27   0.348  -9.270  -1.813
  213    HE1  HIS  27           HE1      HIS  27   3.773  -9.908   0.606
  214    HE2  HIS  27           HE2      HIS  27   2.317 -10.845  -1.228
  215    H    CYS  28           HN       CYS  28  -1.211  -5.058  -2.897
  216    HA   CYS  28           HA       CYS  28  -2.798  -3.351  -1.125
  217   1HB   CYS  28           HB2      CYS  28  -2.901  -3.390  -4.144
  218   2HB   CYS  28           HB1      CYS  28  -3.408  -2.104  -3.058
  219    H    THR  29           HN       THR  29  -4.518  -4.352  -0.309
  220    HA   THR  29           HA       THR  29  -5.726  -6.551  -1.776
  221    HB   THR  29           HB       THR  29  -7.050  -6.835   0.371
  222    HG1  THR  29           HG1      THR  29  -5.986  -5.746   2.196
  223   1HG2  THR  29          3HG2      THR  29  -5.046  -8.171  -0.148
  224   2HG2  THR  29          2HG2      THR  29  -4.036  -6.928   0.594
  225   3HG2  THR  29          1HG2      THR  29  -5.182  -7.838   1.578
  226    HA   PRO  30           HA       PRO  30  -8.521  -3.508  -3.476
  227   1HB   PRO  30           HB2      PRO  30  -9.671  -5.964  -4.687
  228   2HB   PRO  30           HB1      PRO  30  -9.137  -4.464  -5.460
  229   1HG   PRO  30           HG2      PRO  30  -7.633  -6.606  -5.678
  230   2HG   PRO  30           HG1      PRO  30  -6.885  -5.038  -5.290
  231   1HD   PRO  30           HD2      PRO  30  -7.606  -7.282  -3.414
  232   2HD   PRO  30           HD1      PRO  30  -6.065  -6.402  -3.556
  233    H    LYS  31           HN       LYS  31 -10.527  -2.814  -3.196
  234    HA   LYS  31           HA       LYS  31 -12.245  -4.283  -1.338
  235   1HB   LYS  31           HB2      LYS  31 -12.203  -1.414  -2.257
  236   2HB   LYS  31           HB1      LYS  31 -13.563  -2.090  -1.371
  237   1HG   LYS  31           HG2      LYS  31 -12.038  -2.658   0.476
  238   2HG   LYS  31           HG1      LYS  31 -10.721  -1.885  -0.409
  239   1HD   LYS  31           HD2      LYS  31 -11.838   0.244  -0.315
  240   2HD   LYS  31           HD1      LYS  31 -13.268  -0.495   0.410
  241   1HE   LYS  31           HE2      LYS  31 -11.982  -1.095   2.382
  242   2HE   LYS  31           HE1      LYS  31 -10.523  -0.426   1.656
  243   1HZ   LYS  31           HZ2      LYS  31 -11.593   1.754   1.656
  244   2HZ   LYS  31           HZ1      LYS  31 -12.967   1.095   2.403
  245   3HZ   LYS  31           HZ3      LYS  31 -11.478   1.113   3.219

  No H/Q in entry =         245
  Start of MODEL    7
    1    H1   CYS   1           HT3      CYS   1   8.455   0.959  -4.833
    2    H2   CYS   1           HT2      CYS   1   7.348   2.212  -5.114
    3    H3   CYS   1           HT1      CYS   1   8.946   2.569  -4.660
    4    HA   CYS   1           HA       CYS   1   7.623   2.889  -2.755
    5   1HB   CYS   1           HB2      CYS   1   6.133   1.197  -1.886
    6   2HB   CYS   1           HB1      CYS   1   5.706   1.514  -3.560
    7    H    LYS   2           HN       LYS   2   9.017   2.921  -1.190
    8    HA   LYS   2           HA       LYS   2  11.019   0.825  -0.990
    9   1HB   LYS   2           HB2      LYS   2  12.137   2.402   0.574
   10   2HB   LYS   2           HB1      LYS   2  11.826   3.100  -1.008
   11   1HG   LYS   2           HG2      LYS   2   9.886   4.282  -0.115
   12   2HG   LYS   2           HG1      LYS   2  10.202   3.592   1.477
   13   1HD   LYS   2           HD2      LYS   2  12.354   4.727   1.557
   14   2HD   LYS   2           HD1      LYS   2  12.089   5.376  -0.062
   15   1HE   LYS   2           HE2      LYS   2  10.103   6.574   0.772
   16   2HE   LYS   2           HE1      LYS   2  10.427   5.957   2.391
   17   1HZ   LYS   2           HZ3      LYS   2  12.232   7.728   0.825
   18   2HZ   LYS   2           HZ2      LYS   2  11.248   8.213   2.116
   19   3HZ   LYS   2           HZ1      LYS   2  12.532   7.140   2.386
   20    H    ILE   3           HN       ILE   3   8.230   2.022   0.686
   21    HA   ILE   3           HA       ILE   3   8.612   0.082   2.857
   22    HB   ILE   3           HB       ILE   3   7.707   2.879   3.410
   23   1HG1  ILE   3          2HG1      ILE   3  10.524   1.841   3.691
   24   2HG1  ILE   3          1HG1      ILE   3   9.966   3.021   2.510
   25   1HG2  ILE   3          1HG2      ILE   3   8.739   0.673   5.188
   26   2HG2  ILE   3          3HG2      ILE   3   8.401   2.314   5.738
   27   3HG2  ILE   3          2HG2      ILE   3   7.095   1.309   5.119
   28   1HD1  ILE   3          3HD1      ILE   3   9.416   4.564   4.322
   29   2HD1  ILE   3          2HD1      ILE   3  10.014   3.389   5.494
   30   3HD1  ILE   3          1HD1      ILE   3  11.121   4.113   4.327
   31    H    SER   4           HN       SER   4   6.615  -0.330   4.049
   32    HA   SER   4           HA       SER   4   4.419  -0.976   2.745
   33   1HB   SER   4           HB2      SER   4   4.121   0.282   5.443
   34   2HB   SER   4           HB1      SER   4   3.392  -1.189   4.802
   35    HG   SER   4           HG       SER   4   5.077  -2.299   5.390
   36    H    ARG   5           HN       ARG   5   5.047   2.244   3.972
   37    HA   ARG   5           HA       ARG   5   2.416   3.273   3.699
   38   1HB   ARG   5           HB2      ARG   5   3.668   5.515   3.894
   39   2HB   ARG   5           HB1      ARG   5   3.784   4.395   5.245
   40   1HG   ARG   5           HG2      ARG   5   5.968   3.688   4.541
   41   2HG   ARG   5           HG1      ARG   5   5.849   4.657   3.074
   42   1HD   ARG   5           HD2      ARG   5   5.718   5.833   5.838
   43   2HD   ARG   5           HD1      ARG   5   7.223   5.638   4.939
   44    HE   ARG   5           HE       ARG   5   5.860   7.010   3.168
   45   1HH1  ARG   5          1HH1      ARG   5   5.901   7.465   6.641
   46   2HH1  ARG   5          2HH1      ARG   5   5.674   9.184   6.547
   47   1HH2  ARG   5          1HH2      ARG   5   5.574   9.278   3.041
   48   2HH2  ARG   5          2HH2      ARG   5   5.483  10.210   4.506
   49    H    GLN   6           HN       GLN   6   5.095   2.974   1.529
   50    HA   GLN   6           HA       GLN   6   4.461   5.164  -0.156
   51   1HB   GLN   6           HB2      GLN   6   6.130   2.733  -0.744
   52   2HB   GLN   6           HB1      GLN   6   6.179   4.257  -1.616
   53   1HG   GLN   6           HG2      GLN   6   6.953   3.801   1.257
   54   2HG   GLN   6           HG1      GLN   6   8.053   4.064  -0.093
   55   1HE2  GLN   6          1HE2      GLN   6   8.258   6.107  -0.969
   56   2HE2  GLN   6          2HE2      GLN   6   7.710   7.516  -0.124
   57    H    CYS   7           HN       CYS   7   3.153   1.988   0.055
   58    HA   CYS   7           HA       CYS   7   1.685   2.513  -2.456
   59   1HB   CYS   7           HB2      CYS   7   2.493  -0.103  -1.201
   60   2HB   CYS   7           HB1      CYS   7   1.140  -0.010  -2.320
   61    H    LEU   8           HN       LEU   8   1.483   2.649   0.806
   62    HA   LEU   8           HA       LEU   8  -0.994   1.421   1.362
   63   1HB   LEU   8           HB2      LEU   8   0.578   1.978   3.129
   64   2HB   LEU   8           HB1      LEU   8   0.435   3.686   2.756
   65    HG   LEU   8           HG       LEU   8  -1.929   3.638   3.467
   66   1HD1  LEU   8          3HD1      LEU   8  -2.404   1.289   2.973
   67   2HD1  LEU   8          2HD1      LEU   8  -1.329   0.795   4.282
   68   3HD1  LEU   8          1HD1      LEU   8  -2.806   1.690   4.642
   69   1HD2  LEU   8          3HD2      LEU   8  -0.188   4.264   5.057
   70   2HD2  LEU   8          2HD2      LEU   8  -1.501   3.402   5.861
   71   3HD2  LEU   8          1HD2      LEU   8   0.015   2.572   5.513
   72    H    LYS   9           HN       LYS   9  -0.191   4.883   0.892
   73    HA   LYS   9           HA       LYS   9  -2.961   5.527   0.813
   74   1HB   LYS   9           HB2      LYS   9  -2.382   7.785   0.575
   75   2HB   LYS   9           HB1      LYS   9  -1.258   7.071   1.694
   76   1HG   LYS   9           HG2      LYS   9   0.017   8.524   0.476
   77   2HG   LYS   9           HG1      LYS   9   0.338   6.978  -0.272
   78   1HD   LYS   9           HD2      LYS   9   0.021   8.728  -1.958
   79   2HD   LYS   9           HD1      LYS   9  -1.240   7.500  -2.072
   80   1HE   LYS   9           HE2      LYS   9  -2.309   9.608  -2.284
   81   2HE   LYS   9           HE1      LYS   9  -2.688   9.002  -0.673
   82   1HZ   LYS   9           HZ1      LYS   9  -0.607  10.403  -0.021
   83   2HZ   LYS   9           HZ3      LYS   9  -0.952  11.237  -1.458
   84   3HZ   LYS   9           HZ2      LYS   9  -2.114  11.154  -0.226
   85    HA   PRO  10           HA       PRO  10  -1.976   6.093  -3.994
   86   1HB   PRO  10           HB2      PRO  10  -0.326   3.605  -4.173
   87   2HB   PRO  10           HB1      PRO  10  -0.208   5.105  -5.108
   88   1HG   PRO  10           HG2      PRO  10   1.545   4.633  -3.199
   89   2HG   PRO  10           HG1      PRO  10   0.828   6.254  -3.345
   90   1HD   PRO  10           HD2      PRO  10   0.130   4.043  -1.435
   91   2HD   PRO  10           HD1      PRO  10   0.313   5.775  -1.106
   92    H    CYS  11           HN       CYS  11  -1.954   2.749  -2.707
   93    HA   CYS  11           HA       CYS  11  -3.812   1.864  -4.695
   94   1HB   CYS  11           HB2      CYS  11  -2.746   0.547  -2.200
   95   2HB   CYS  11           HB1      CYS  11  -3.871  -0.240  -3.304
   96    H    LYS  12           HN       LYS  12  -4.062   2.579  -1.214
   97    HA   LYS  12           HA       LYS  12  -6.746   1.797  -0.948
   98   1HB   LYS  12           HB2      LYS  12  -5.334   2.070   0.992
   99   2HB   LYS  12           HB1      LYS  12  -5.104   3.778   0.643
  100   1HG   LYS  12           HG2      LYS  12  -7.830   2.683   1.179
  101   2HG   LYS  12           HG1      LYS  12  -6.732   3.044   2.513
  102   1HD   LYS  12           HD2      LYS  12  -7.770   4.974   0.433
  103   2HD   LYS  12           HD1      LYS  12  -8.183   4.937   2.149
  104   1HE   LYS  12           HE2      LYS  12  -5.844   5.457   2.700
  105   2HE   LYS  12           HE1      LYS  12  -5.463   5.525   0.980
  106   1HZ   LYS  12           HZ2      LYS  12  -7.155   7.330   0.808
  107   2HZ   LYS  12           HZ1      LYS  12  -7.259   7.334   2.499
  108   3HZ   LYS  12           HZ3      LYS  12  -5.796   7.730   1.740
  109    H    ASP  13           HN       ASP  13  -5.268   4.815  -1.951
  110    HA   ASP  13           HA       ASP  13  -7.592   6.425  -1.889
  111   1HB   ASP  13           HB2      ASP  13  -5.170   7.191  -2.086
  112   2HB   ASP  13           HB1      ASP  13  -5.274   6.776  -3.793
  113    H    ALA  14           HN       ALA  14  -6.431   4.060  -4.126
  114    HA   ALA  14           HA       ALA  14  -8.130   4.942  -6.296
  115   1HB   ALA  14           HB3      ALA  14  -6.450   2.451  -6.040
  116   2HB   ALA  14           HB1      ALA  14  -5.932   3.972  -6.767
  117   3HB   ALA  14           HB2      ALA  14  -7.227   3.033  -7.511
  118    H    GLY  15           HN       GLY  15  -8.590   3.163  -3.491
  119   1HA   GLY  15           HA1      GLY  15 -10.942   1.833  -4.692
  120   2HA   GLY  15           HA2      GLY  15 -10.975   2.611  -3.117
  121    H    MET  16           HN       MET  16  -8.273   1.525  -2.464
  122    HA   MET  16           HA       MET  16  -9.111  -1.250  -1.965
  123   1HB   MET  16           HB2      MET  16  -6.271  -0.224  -1.890
  124   2HB   MET  16           HB1      MET  16  -6.803  -1.899  -1.827
  125   1HG   MET  16           HG2      MET  16  -7.861  -1.214  -4.178
  126   2HG   MET  16           HG1      MET  16  -6.520  -0.073  -4.120
  127   1HE   MET  16           HE3      MET  16  -6.912  -2.308  -6.378
  128   2HE   MET  16           HE2      MET  16  -5.579  -1.152  -6.369
  129   3HE   MET  16           HE1      MET  16  -5.252  -2.876  -6.554
  130    H    ARG  17           HN       ARG  17  -8.534  -2.143   0.101
  131    HA   ARG  17           HA       ARG  17  -9.028  -0.251   2.220
  132   1HB   ARG  17           HB2      ARG  17 -10.195  -2.385   2.128
  133   2HB   ARG  17           HB1      ARG  17  -8.666  -3.232   2.214
  134   1HG   ARG  17           HG2      ARG  17  -8.315  -2.521   4.469
  135   2HG   ARG  17           HG1      ARG  17  -9.724  -1.457   4.398
  136   1HD   ARG  17           HD2      ARG  17 -10.100  -3.655   5.569
  137   2HD   ARG  17           HD1      ARG  17 -11.216  -3.307   4.250
  138    HE   ARG  17           HE       ARG  17  -8.941  -5.191   4.088
  139   1HH1  ARG  17          1HH1      ARG  17 -12.141  -4.142   3.101
  140   2HH1  ARG  17          2HH1      ARG  17 -12.319  -5.392   1.903
  141   1HH2  ARG  17          1HH2      ARG  17  -9.203  -6.873   2.575
  142   2HH2  ARG  17          2HH2      ARG  17 -10.662  -6.970   1.627
  143    H    PHE  18           HN       PHE  18  -6.377  -2.298   1.127
  144    HA   PHE  18           HA       PHE  18  -4.554  -0.843   2.885
  145   1HB   PHE  18           HB2      PHE  18  -4.829  -3.849   2.844
  146   2HB   PHE  18           HB1      PHE  18  -3.375  -3.043   3.415
  147    HD1  PHE  18           HD1      PHE  18  -3.767  -1.241   5.275
  148    HD2  PHE  18           HD2      PHE  18  -6.483  -4.380   4.344
  149    HE1  PHE  18           HE1      PHE  18  -4.774  -1.022   7.508
  150    HE2  PHE  18           HE2      PHE  18  -7.497  -4.169   6.575
  151    HZ   PHE  18           HZ       PHE  18  -6.600  -2.532   8.184
  152    H    GLY  19           HN       GLY  19  -2.255  -1.320   2.334
  153   1HA   GLY  19           HA1      GLY  19  -1.625  -0.827  -0.291
  154   2HA   GLY  19           HA2      GLY  19  -1.611  -2.580  -0.143
  155    H    LYS  20           HN       LYS  20  -0.101  -3.569   1.290
  156    HA   LYS  20           HA       LYS  20   1.855  -1.794   2.536
  157   1HB   LYS  20           HB2      LYS  20   1.537  -4.793   2.732
  158   2HB   LYS  20           HB1      LYS  20   2.656  -3.818   3.672
  159   1HG   LYS  20           HG2      LYS  20  -0.340  -3.561   3.768
  160   2HG   LYS  20           HG1      LYS  20   0.636  -4.471   4.924
  161   1HD   LYS  20           HD2      LYS  20   1.844  -2.391   5.483
  162   2HD   LYS  20           HD1      LYS  20   0.784  -1.508   4.382
  163   1HE   LYS  20           HE2      LYS  20   0.023  -1.276   6.677
  164   2HE   LYS  20           HE1      LYS  20  -1.153  -2.171   5.716
  165   1HZ   LYS  20           HZ1      LYS  20   0.840  -3.380   7.564
  166   2HZ   LYS  20           HZ3      LYS  20  -0.810  -3.172   7.893
  167   3HZ   LYS  20           HZ2      LYS  20  -0.319  -4.233   6.663
  168    H    CYS  21           HN       CYS  21   3.827  -1.479   1.745
  169    HA   CYS  21           HA       CYS  21   4.865  -3.325  -0.291
  170   1HB   CYS  21           HB2      CYS  21   4.632  -1.034  -1.129
  171   2HB   CYS  21           HB1      CYS  21   5.600  -0.430   0.216
  172    H    MET  22           HN       MET  22   6.905  -4.162  -0.066
  173    HA   MET  22           HA       MET  22   8.567  -3.115   2.101
  174   1HB   MET  22           HB2      MET  22   7.348  -5.164   2.940
  175   2HB   MET  22           HB1      MET  22   8.138  -6.091   1.673
  176   1HG   MET  22           HG2      MET  22  10.316  -5.572   2.621
  177   2HG   MET  22           HG1      MET  22   9.549  -4.601   3.876
  178   1HE   MET  22           HE1      MET  22   8.202  -7.946   2.389
  179   2HE   MET  22           HE3      MET  22   9.939  -8.258   2.404
  180   3HE   MET  22           HE2      MET  22   8.872  -9.149   3.490
  181    H    ASN  23           HN       ASN  23  10.541  -2.705   1.328
  182    HA   ASN  23           HA       ASN  23  12.509  -2.933   0.214
  183   1HB   ASN  23           HB2      ASN  23  12.419  -5.341   0.441
  184   2HB   ASN  23           HB1      ASN  23  11.295  -5.466  -0.906
  185   1HD2  ASN  23          1HD2      ASN  23  14.583  -4.980   0.046
  186   2HD2  ASN  23          2HD2      ASN  23  15.284  -5.128  -1.531
  187    H    GLY  24           HN       GLY  24  10.149  -4.172  -2.164
  188   1HA   GLY  24           HA1      GLY  24  11.180  -2.925  -4.382
  189   2HA   GLY  24           HA2      GLY  24  10.163  -1.708  -3.629
  190    H    LYS  25           HN       LYS  25   8.352  -3.923  -2.647
  191    HA   LYS  25           HA       LYS  25   6.642  -3.799  -4.960
  192   1HB   LYS  25           HB2      LYS  25   6.157  -6.214  -5.020
  193   2HB   LYS  25           HB1      LYS  25   7.816  -5.856  -5.473
  194   1HG   LYS  25           HG2      LYS  25   8.624  -6.620  -3.345
  195   2HG   LYS  25           HG1      LYS  25   6.975  -6.805  -2.741
  196   1HD   LYS  25           HD2      LYS  25   6.538  -8.505  -4.456
  197   2HD   LYS  25           HD1      LYS  25   8.188  -8.328  -5.048
  198   1HE   LYS  25           HE2      LYS  25   7.449  -9.220  -2.265
  199   2HE   LYS  25           HE1      LYS  25   7.848 -10.306  -3.593
  200   1HZ   LYS  25           HZ2      LYS  25  10.003  -8.919  -3.702
  201   2HZ   LYS  25           HZ1      LYS  25   9.609  -8.465  -2.116
  202   3HZ   LYS  25           HZ3      LYS  25   9.843 -10.102  -2.499
  203    H    CYS  26           HN       CYS  26   4.440  -4.111  -4.450
  204    HA   CYS  26           HA       CYS  26   3.911  -4.321  -1.575
  205   1HB   CYS  26           HB2      CYS  26   2.136  -2.491  -1.984
  206   2HB   CYS  26           HB1      CYS  26   3.818  -2.020  -1.796
  207    H    HIS  27           HN       HIS  27   1.874  -4.987  -0.963
  208    HA   HIS  27           HA       HIS  27   0.303  -6.307  -3.078
  209   1HB   HIS  27           HB2      HIS  27   0.548  -7.026  -0.144
  210   2HB   HIS  27           HB1      HIS  27  -0.463  -7.865  -1.315
  211    HD1  HIS  27           HD1      HIS  27   2.753  -8.059   0.250
  212    HD2  HIS  27           HD2      HIS  27   1.242  -8.995  -3.516
  213    HE1  HIS  27           HE1      HIS  27   4.418  -9.640  -0.780
  214    HE2  HIS  27           HE2      HIS  27   3.594 -10.010  -3.133
  215    H    CYS  28           HN       CYS  28  -1.389  -5.048  -3.538
  216    HA   CYS  28           HA       CYS  28  -2.605  -3.521  -1.351
  217   1HB   CYS  28           HB2      CYS  28  -3.021  -3.131  -4.319
  218   2HB   CYS  28           HB1      CYS  28  -3.533  -2.060  -3.026
  219    H    THR  29           HN       THR  29  -4.319  -4.282  -0.462
  220    HA   THR  29           HA       THR  29  -5.984  -6.210  -1.901
  221    HB   THR  29           HB       THR  29  -6.890  -6.779   0.319
  222    HG1  THR  29           HG1      THR  29  -6.428  -4.556   1.147
  223   1HG2  THR  29          3HG2      THR  29  -3.868  -6.739   0.242
  224   2HG2  THR  29          2HG2      THR  29  -4.850  -7.749   1.302
  225   3HG2  THR  29          1HG2      THR  29  -4.909  -7.984  -0.447
  226    HA   PRO  30           HA       PRO  30  -8.764  -2.717  -2.539
  227   1HB   PRO  30           HB2      PRO  30 -10.422  -4.921  -3.650
  228   2HB   PRO  30           HB1      PRO  30  -9.960  -3.376  -4.381
  229   1HG   PRO  30           HG2      PRO  30  -8.793  -5.596  -5.203
  230   2HG   PRO  30           HG1      PRO  30  -7.822  -4.134  -4.930
  231   1HD   PRO  30           HD2      PRO  30  -8.166  -6.519  -3.134
  232   2HD   PRO  30           HD1      PRO  30  -6.672  -5.680  -3.610
  233    H    LYS  31           HN       LYS  31 -11.212  -2.476  -2.225
  234    HA   LYS  31           HA       LYS  31 -11.690  -3.101   0.531
  235   1HB   LYS  31           HB2      LYS  31 -12.356  -0.990  -1.015
  236   2HB   LYS  31           HB1      LYS  31 -13.860  -1.900  -1.101
  237   1HG   LYS  31           HG2      LYS  31 -14.042  -0.343   0.689
  238   2HG   LYS  31           HG1      LYS  31 -13.880  -1.954   1.397
  239   1HD   LYS  31           HD2      LYS  31 -11.442  -1.513   1.669
  240   2HD   LYS  31           HD1      LYS  31 -11.722   0.135   1.113
  241   1HE   LYS  31           HE2      LYS  31 -13.039  -1.120   3.511
  242   2HE   LYS  31           HE1      LYS  31 -11.608  -0.094   3.579
  243   1HZ   LYS  31           HZ3      LYS  31 -12.939   1.688   2.550
  244   2HZ   LYS  31           HZ2      LYS  31 -14.310   0.698   2.621
  245   3HZ   LYS  31           HZ1      LYS  31 -13.561   1.203   4.053

  No H/Q in entry =         245
  Start of MODEL    8
    1    H1   CYS   1           HT2      CYS   1   7.552   0.856  -5.120
    2    H2   CYS   1           HT1      CYS   1   6.514   2.198  -5.221
    3    H3   CYS   1           HT3      CYS   1   8.188   2.428  -5.076
    4    HA   CYS   1           HA       CYS   1   7.135   2.867  -2.979
    5   1HB   CYS   1           HB2      CYS   1   5.867   1.166  -1.825
    6   2HB   CYS   1           HB1      CYS   1   5.157   1.425  -3.411
    7    H    LYS   2           HN       LYS   2   8.722   2.966  -1.613
    8    HA   LYS   2           HA       LYS   2  10.730   0.859  -1.520
    9   1HB   LYS   2           HB2      LYS   2  12.062   2.485  -0.256
   10   2HB   LYS   2           HB1      LYS   2  11.464   3.200  -1.748
   11   1HG   LYS   2           HG2      LYS   2   9.674   4.298  -0.491
   12   2HG   LYS   2           HG1      LYS   2  10.324   3.623   1.001
   13   1HD   LYS   2           HD2      LYS   2  11.118   5.860   0.838
   14   2HD   LYS   2           HD1      LYS   2  12.482   4.800   0.479
   15   1HE   LYS   2           HE2      LYS   2  12.195   5.177  -1.896
   16   2HE   LYS   2           HE1      LYS   2  10.744   6.132  -1.597
   17   1HZ   LYS   2           HZ3      LYS   2  12.107   7.750  -0.410
   18   2HZ   LYS   2           HZ2      LYS   2  13.500   6.839  -0.740
   19   3HZ   LYS   2           HZ1      LYS   2  12.638   7.554  -2.009
   20    H    ILE   3           HN       ILE   3   8.133   2.193   0.356
   21    HA   ILE   3           HA       ILE   3   8.612   0.268   2.518
   22    HB   ILE   3           HB       ILE   3   7.833   3.085   3.155
   23   1HG1  ILE   3          2HG1      ILE   3  10.663   2.034   3.137
   24   2HG1  ILE   3          1HG1      ILE   3   9.995   3.226   2.030
   25   1HG2  ILE   3          2HG2      ILE   3   8.977   0.821   4.776
   26   2HG2  ILE   3          1HG2      ILE   3   8.819   2.468   5.388
   27   3HG2  ILE   3          3HG2      ILE   3   7.383   1.565   4.923
   28   1HD1  ILE   3          1HD1      ILE   3   9.656   4.765   3.903
   29   2HD1  ILE   3          3HD1      ILE   3  10.361   3.575   4.998
   30   3HD1  ILE   3          2HD1      ILE   3  11.346   4.292   3.723
   31    H    SER   4           HN       SER   4   6.653   0.026   3.894
   32    HA   SER   4           HA       SER   4   4.401  -0.616   2.700
   33   1HB   SER   4           HB2      SER   4   4.428   0.714   5.395
   34   2HB   SER   4           HB1      SER   4   3.361  -0.564   4.828
   35    HG   SER   4           HG       SER   4   5.042  -2.005   4.847
   36    H    ARG   5           HN       ARG   5   5.105   2.684   3.750
   37    HA   ARG   5           HA       ARG   5   2.438   3.647   3.490
   38   1HB   ARG   5           HB2      ARG   5   3.345   5.839   3.859
   39   2HB   ARG   5           HB1      ARG   5   4.214   4.716   4.897
   40   1HG   ARG   5           HG2      ARG   5   6.114   4.739   3.465
   41   2HG   ARG   5           HG1      ARG   5   5.238   5.635   2.224
   42   1HD   ARG   5           HD2      ARG   5   4.971   7.463   3.982
   43   2HD   ARG   5           HD1      ARG   5   6.202   6.594   4.897
   44    HE   ARG   5           HE       ARG   5   7.086   7.027   2.250
   45   1HH1  ARG   5          1HH1      ARG   5   6.574   8.751   5.271
   46   2HH1  ARG   5          2HH1      ARG   5   7.744   9.986   4.891
   47   1HH2  ARG   5          1HH2      ARG   5   8.599   8.651   1.769
   48   2HH2  ARG   5          2HH2      ARG   5   8.870   9.945   2.898
   49    H    GLN   6           HN       GLN   6   5.091   3.294   1.300
   50    HA   GLN   6           HA       GLN   6   4.402   5.345  -0.520
   51   1HB   GLN   6           HB2      GLN   6   6.063   2.870  -0.923
   52   2HB   GLN   6           HB1      GLN   6   6.069   4.280  -1.973
   53   1HG   GLN   6           HG2      GLN   6   6.781   4.400   0.940
   54   2HG   GLN   6           HG1      GLN   6   7.965   4.058  -0.314
   55   1HE2  GLN   6          1HE2      GLN   6   6.735   5.855  -2.248
   56   2HE2  GLN   6          2HE2      GLN   6   7.139   7.452  -1.716
   57    H    CYS   7           HN       CYS   7   3.065   2.210  -0.044
   58    HA   CYS   7           HA       CYS   7   1.540   2.579  -2.541
   59   1HB   CYS   7           HB2      CYS   7   2.457   0.069  -1.193
   60   2HB   CYS   7           HB1      CYS   7   0.953   0.047  -2.105
   61    H    LEU   8           HN       LEU   8   1.398   2.909   0.733
   62    HA   LEU   8           HA       LEU   8  -1.114   1.784   1.350
   63   1HB   LEU   8           HB2      LEU   8   0.547   2.446   3.051
   64   2HB   LEU   8           HB1      LEU   8   0.268   4.131   2.652
   65    HG   LEU   8           HG       LEU   8  -2.088   3.886   3.399
   66   1HD1  LEU   8          3HD1      LEU   8  -2.324   1.482   3.011
   67   2HD1  LEU   8          2HD1      LEU   8  -1.186   1.156   4.318
   68   3HD1  LEU   8          1HD1      LEU   8  -2.740   1.912   4.669
   69   1HD2  LEU   8          1HD2      LEU   8   0.010   3.123   5.424
   70   2HD2  LEU   8          3HD2      LEU   8  -0.399   4.760   4.912
   71   3HD2  LEU   8          2HD2      LEU   8  -1.580   3.789   5.793
   72    H    LYS   9           HN       LYS   9  -0.138   4.985   0.210
   73    HA   LYS   9           HA       LYS   9  -2.883   5.896   0.121
   74   1HB   LYS   9           HB2      LYS   9  -0.952   7.394  -1.510
   75   2HB   LYS   9           HB1      LYS   9  -2.082   7.967  -0.295
   76   1HG   LYS   9           HG2      LYS   9   0.593   6.711   0.223
   77   2HG   LYS   9           HG1      LYS   9   0.221   8.436   0.314
   78   1HD   LYS   9           HD2      LYS   9  -1.549   7.781   2.048
   79   2HD   LYS   9           HD1      LYS   9  -0.730   6.220   2.113
   80   1HE   LYS   9           HE2      LYS   9   0.167   7.547   3.868
   81   2HE   LYS   9           HE1      LYS   9   1.395   7.463   2.605
   82   1HZ   LYS   9           HZ2      LYS   9   0.654   9.656   1.828
   83   2HZ   LYS   9           HZ1      LYS   9  -0.458   9.729   3.105
   84   3HZ   LYS   9           HZ3      LYS   9   1.206   9.707   3.431
   85    HA   PRO  10           HA       PRO  10  -2.010   5.630  -4.664
   86   1HB   PRO  10           HB2      PRO  10   0.097   3.544  -4.737
   87   2HB   PRO  10           HB1      PRO  10  -0.078   5.015  -5.693
   88   1HG   PRO  10           HG2      PRO  10   1.744   4.870  -3.780
   89   2HG   PRO  10           HG1      PRO  10   0.827   6.365  -4.063
   90   1HD   PRO  10           HD2      PRO  10   0.458   4.281  -1.948
   91   2HD   PRO  10           HD1      PRO  10   0.364   6.050  -1.816
   92    H    CYS  11           HN       CYS  11  -2.046   2.893  -2.491
   93    HA   CYS  11           HA       CYS  11  -3.714   1.471  -4.450
   94   1HB   CYS  11           HB2      CYS  11  -2.372   0.475  -1.933
   95   2HB   CYS  11           HB1      CYS  11  -3.463  -0.492  -2.921
   96    H    LYS  12           HN       LYS  12  -3.683   2.275  -0.943
   97    HA   LYS  12           HA       LYS  12  -6.371   1.295  -0.690
   98   1HB   LYS  12           HB2      LYS  12  -4.970   0.924   1.173
   99   2HB   LYS  12           HB1      LYS  12  -4.485   2.614   1.248
  100   1HG   LYS  12           HG2      LYS  12  -6.828   3.180   1.860
  101   2HG   LYS  12           HG1      LYS  12  -7.163   1.447   1.925
  102   1HD   LYS  12           HD2      LYS  12  -5.535   1.149   3.682
  103   2HD   LYS  12           HD1      LYS  12  -5.027   2.833   3.549
  104   1HE   LYS  12           HE2      LYS  12  -6.445   2.668   5.454
  105   2HE   LYS  12           HE1      LYS  12  -7.351   3.496   4.190
  106   1HZ   LYS  12           HZ1      LYS  12  -8.463   1.396   3.684
  107   2HZ   LYS  12           HZ3      LYS  12  -7.613   0.633   4.937
  108   3HZ   LYS  12           HZ2      LYS  12  -8.721   1.864   5.291
  109    H    ASP  13           HN       ASP  13  -4.848   4.484  -0.660
  110    HA   ASP  13           HA       ASP  13  -7.284   5.909  -0.256
  111   1HB   ASP  13           HB2      ASP  13  -5.026   6.876   0.202
  112   2HB   ASP  13           HB1      ASP  13  -4.706   6.881  -1.528
  113    H    ALA  14           HN       ALA  14  -5.828   4.333  -2.896
  114    HA   ALA  14           HA       ALA  14  -7.296   5.787  -4.931
  115   1HB   ALA  14           HB2      ALA  14  -5.520   3.364  -5.184
  116   2HB   ALA  14           HB3      ALA  14  -5.012   5.042  -5.383
  117   3HB   ALA  14           HB1      ALA  14  -6.164   4.331  -6.514
  118    H    GLY  15           HN       GLY  15  -7.932   3.174  -2.854
  119   1HA   GLY  15           HA1      GLY  15  -9.810   1.965  -4.755
  120   2HA   GLY  15           HA2      GLY  15 -10.474   2.731  -3.325
  121    H    MET  16           HN       MET  16  -7.446   1.141  -2.878
  122    HA   MET  16           HA       MET  16  -8.619  -1.433  -2.323
  123   1HB   MET  16           HB2      MET  16  -5.838  -0.548  -1.580
  124   2HB   MET  16           HB1      MET  16  -6.432  -2.190  -1.779
  125   1HG   MET  16           HG2      MET  16  -5.859  -0.139  -3.865
  126   2HG   MET  16           HG1      MET  16  -5.181  -1.750  -3.683
  127   1HE   MET  16           HE3      MET  16  -5.517  -2.264  -6.208
  128   2HE   MET  16           HE2      MET  16  -7.053  -2.118  -7.062
  129   3HE   MET  16           HE1      MET  16  -6.221  -0.673  -6.490
  130    H    ARG  17           HN       ARG  17  -8.297  -2.516  -0.242
  131    HA   ARG  17           HA       ARG  17  -9.116  -0.871   1.983
  132   1HB   ARG  17           HB2      ARG  17  -9.646  -3.400   1.243
  133   2HB   ARG  17           HB1      ARG  17  -8.345  -3.702   2.379
  134   1HG   ARG  17           HG2      ARG  17  -9.566  -2.585   4.132
  135   2HG   ARG  17           HG1      ARG  17 -10.852  -2.157   3.000
  136   1HD   ARG  17           HD2      ARG  17 -10.087  -4.871   4.034
  137   2HD   ARG  17           HD1      ARG  17 -11.649  -4.058   4.126
  138    HE   ARG  17           HE       ARG  17 -10.518  -5.428   1.805
  139   1HH1  ARG  17          1HH1      ARG  17 -13.133  -3.552   3.186
  140   2HH1  ARG  17          2HH1      ARG  17 -14.268  -3.979   1.929
  141   1HH2  ARG  17          1HH2      ARG  17 -11.997  -5.965   0.146
  142   2HH2  ARG  17          2HH2      ARG  17 -13.613  -5.335   0.200
  143    H    PHE  18           HN       PHE  18  -6.341  -2.850   1.071
  144    HA   PHE  18           HA       PHE  18  -4.688  -1.331   2.964
  145   1HB   PHE  18           HB2      PHE  18  -4.581  -4.329   2.522
  146   2HB   PHE  18           HB1      PHE  18  -3.411  -3.409   3.455
  147    HD1  PHE  18           HD1      PHE  18  -4.126  -2.304   5.569
  148    HD2  PHE  18           HD2      PHE  18  -6.640  -5.011   3.455
  149    HE1  PHE  18           HE1      PHE  18  -5.505  -2.593   7.584
  150    HE2  PHE  18           HE2      PHE  18  -8.021  -5.304   5.469
  151    HZ   PHE  18           HZ       PHE  18  -7.462  -4.107   7.526
  152    H    GLY  19           HN       GLY  19  -2.311  -1.614   2.403
  153   1HA   GLY  19           HA1      GLY  19  -1.775  -0.774  -0.168
  154   2HA   GLY  19           HA2      GLY  19  -1.597  -2.522  -0.200
  155    H    LYS  20           HN       LYS  20  -0.317  -3.300   1.895
  156    HA   LYS  20           HA       LYS  20   1.713  -1.407   2.721
  157   1HB   LYS  20           HB2      LYS  20   1.426  -4.346   3.367
  158   2HB   LYS  20           HB1      LYS  20   2.524  -3.222   4.152
  159   1HG   LYS  20           HG2      LYS  20   0.652  -1.976   5.048
  160   2HG   LYS  20           HG1      LYS  20  -0.480  -3.043   4.211
  161   1HD   LYS  20           HD2      LYS  20   0.437  -4.953   5.491
  162   2HD   LYS  20           HD1      LYS  20   1.476  -3.829   6.372
  163   1HE   LYS  20           HE2      LYS  20  -0.501  -2.662   7.210
  164   2HE   LYS  20           HE1      LYS  20  -1.539  -3.778   6.325
  165   1HZ   LYS  20           HZ2      LYS  20  -0.559  -5.596   7.662
  166   2HZ   LYS  20           HZ1      LYS  20   0.276  -4.440   8.580
  167   3HZ   LYS  20           HZ3      LYS  20  -1.423  -4.467   8.590
  168    H    CYS  21           HN       CYS  21   3.664  -1.217   1.878
  169    HA   CYS  21           HA       CYS  21   4.596  -3.229  -0.040
  170   1HB   CYS  21           HB2      CYS  21   4.354  -0.987  -0.990
  171   2HB   CYS  21           HB1      CYS  21   5.403  -0.329   0.263
  172    H    MET  22           HN       MET  22   6.674  -4.016   0.058
  173    HA   MET  22           HA       MET  22   8.422  -2.991   2.174
  174   1HB   MET  22           HB2      MET  22   7.402  -5.013   3.101
  175   2HB   MET  22           HB1      MET  22   7.830  -5.924   1.660
  176   1HG   MET  22           HG2      MET  22  10.211  -5.579   2.181
  177   2HG   MET  22           HG1      MET  22   9.742  -4.733   3.654
  178   1HE   MET  22           HE3      MET  22  11.319  -6.386   5.026
  179   2HE   MET  22           HE2      MET  22  11.182  -8.144   4.968
  180   3HE   MET  22           HE1      MET  22  11.739  -7.254   3.549
  181    H    ASN  23           HN       ASN  23  10.130  -2.264   1.139
  182    HA   ASN  23           HA       ASN  23  12.031  -2.201  -0.070
  183   1HB   ASN  23           HB2      ASN  23  11.387  -5.097  -0.599
  184   2HB   ASN  23           HB1      ASN  23  12.823  -4.305  -1.238
  185   1HD2  ASN  23          1HD2      ASN  23  14.190  -5.651  -0.091
  186   2HD2  ASN  23          2HD2      ASN  23  14.409  -5.507   1.617
  187    H    GLY  24           HN       GLY  24   9.931  -4.275  -2.107
  188   1HA   GLY  24           HA1      GLY  24  10.568  -3.627  -4.568
  189   2HA   GLY  24           HA2      GLY  24   9.887  -2.090  -4.066
  190    H    LYS  25           HN       LYS  25   8.209  -4.524  -2.506
  191    HA   LYS  25           HA       LYS  25   6.189  -4.549  -4.645
  192   1HB   LYS  25           HB2      LYS  25   5.628  -6.884  -3.976
  193   2HB   LYS  25           HB1      LYS  25   7.226  -6.716  -4.685
  194   1HG   LYS  25           HG2      LYS  25   8.290  -6.945  -2.582
  195   2HG   LYS  25           HG1      LYS  25   6.764  -6.763  -1.717
  196   1HD   LYS  25           HD2      LYS  25   7.411  -9.087  -1.716
  197   2HD   LYS  25           HD1      LYS  25   5.982  -8.883  -2.727
  198   1HE   LYS  25           HE2      LYS  25   7.421  -8.885  -4.723
  199   2HE   LYS  25           HE1      LYS  25   8.829  -9.138  -3.694
  200   1HZ   LYS  25           HZ2      LYS  25   7.797 -11.220  -2.922
  201   2HZ   LYS  25           HZ1      LYS  25   6.525 -10.986  -4.018
  202   3HZ   LYS  25           HZ3      LYS  25   8.102 -11.233  -4.593
  203    H    CYS  26           HN       CYS  26   4.118  -4.163  -4.034
  204    HA   CYS  26           HA       CYS  26   3.596  -4.110  -1.147
  205   1HB   CYS  26           HB2      CYS  26   1.875  -2.295  -1.713
  206   2HB   CYS  26           HB1      CYS  26   3.573  -1.849  -1.678
  207    H    HIS  27           HN       HIS  27   1.847  -5.033  -0.376
  208    HA   HIS  27           HA       HIS  27   0.210  -6.617  -2.205
  209   1HB   HIS  27           HB2      HIS  27   0.256  -6.595   0.826
  210   2HB   HIS  27           HB1      HIS  27  -0.583  -7.759  -0.191
  211    HD1  HIS  27           HD1      HIS  27   2.321  -7.503   1.768
  212    HD2  HIS  27           HD2      HIS  27   1.510  -9.109  -1.982
  213    HE1  HIS  27           HE1      HIS  27   4.198  -9.117   1.301
  214    HE2  HIS  27           HE2      HIS  27   3.591 -10.197  -0.898
  215    H    CYS  28           HN       CYS  28  -1.216  -5.184  -3.093
  216    HA   CYS  28           HA       CYS  28  -2.755  -3.484  -1.274
  217   1HB   CYS  28           HB2      CYS  28  -2.737  -3.414  -4.298
  218   2HB   CYS  28           HB1      CYS  28  -3.356  -2.181  -3.203
  219    H    THR  29           HN       THR  29  -4.486  -4.420  -0.491
  220    HA   THR  29           HA       THR  29  -5.881  -6.461  -2.042
  221    HB   THR  29           HB       THR  29  -7.112  -6.821   0.146
  222    HG1  THR  29           HG1      THR  29  -6.721  -5.484   1.729
  223   1HG2  THR  29          3HG2      THR  29  -5.243  -8.249  -0.533
  224   2HG2  THR  29          2HG2      THR  29  -4.105  -7.107   0.182
  225   3HG2  THR  29          1HG2      THR  29  -5.234  -7.989   1.211
  226    HA   PRO  30           HA       PRO  30  -8.596  -3.137  -3.372
  227   1HB   PRO  30           HB2      PRO  30  -9.991  -5.543  -4.458
  228   2HB   PRO  30           HB1      PRO  30  -9.584  -4.016  -5.258
  229   1HG   PRO  30           HG2      PRO  30  -8.117  -6.122  -5.778
  230   2HG   PRO  30           HG1      PRO  30  -7.314  -4.575  -5.422
  231   1HD   PRO  30           HD2      PRO  30  -7.751  -6.926  -3.600
  232   2HD   PRO  30           HD1      PRO  30  -6.266  -5.986  -3.878
  233    H    LYS  31           HN       LYS  31 -10.587  -2.369  -2.888
  234    HA   LYS  31           HA       LYS  31 -11.935  -3.627  -0.636
  235   1HB   LYS  31           HB2      LYS  31 -11.401  -1.204  -0.585
  236   2HB   LYS  31           HB1      LYS  31 -12.445  -0.961  -1.974
  237   1HG   LYS  31           HG2      LYS  31 -14.361  -1.733  -0.646
  238   2HG   LYS  31           HG1      LYS  31 -13.298  -1.915   0.749
  239   1HD   LYS  31           HD2      LYS  31 -13.830   0.666  -0.726
  240   2HD   LYS  31           HD1      LYS  31 -14.565   0.200   0.806
  241   1HE   LYS  31           HE2      LYS  31 -12.829   1.575   1.482
  242   2HE   LYS  31           HE1      LYS  31 -12.127  -0.033   1.637
  243   1HZ   LYS  31           HZ3      LYS  31 -11.127   0.320  -0.604
  244   2HZ   LYS  31           HZ2      LYS  31 -11.672   1.922  -0.555
  245   3HZ   LYS  31           HZ1      LYS  31 -10.548   1.376   0.586

  No H/Q in entry =         245
  Start of MODEL    9
    1    H1   CYS   1           HT1      CYS   1   7.679   0.954  -4.865
    2    H2   CYS   1           HT3      CYS   1   6.661   2.305  -4.788
    3    H3   CYS   1           HT2      CYS   1   8.344   2.513  -4.794
    4    HA   CYS   1           HA       CYS   1   7.517   2.832  -2.567
    5   1HB   CYS   1           HB2      CYS   1   6.363   1.042  -1.403
    6   2HB   CYS   1           HB1      CYS   1   5.470   1.471  -2.855
    7    H    LYS   2           HN       LYS   2   9.446   2.963  -1.723
    8    HA   LYS   2           HA       LYS   2  11.196   0.653  -1.640
    9   1HB   LYS   2           HB2      LYS   2  11.633   3.111   0.030
   10   2HB   LYS   2           HB1      LYS   2  12.821   2.075  -0.748
   11   1HG   LYS   2           HG2      LYS   2  11.040   4.092  -2.098
   12   2HG   LYS   2           HG1      LYS   2  12.774   4.233  -1.817
   13   1HD   LYS   2           HD2      LYS   2  13.231   2.443  -3.347
   14   2HD   LYS   2           HD1      LYS   2  11.513   2.065  -3.497
   15   1HE   LYS   2           HE2      LYS   2  11.144   4.302  -4.477
   16   2HE   LYS   2           HE1      LYS   2  12.878   4.603  -4.390
   17   1HZ   LYS   2           HZ2      LYS   2  13.222   2.702  -5.872
   18   2HZ   LYS   2           HZ1      LYS   2  11.542   2.485  -5.992
   19   3HZ   LYS   2           HZ3      LYS   2  12.260   3.897  -6.590
   20    H    ILE   3           HN       ILE   3   8.823   2.301   0.198
   21    HA   ILE   3           HA       ILE   3   8.976   0.269   2.299
   22    HB   ILE   3           HB       ILE   3   8.084   2.326   3.714
   23   1HG1  ILE   3          2HG1      ILE   3  10.106   3.542   1.836
   24   2HG1  ILE   3          1HG1      ILE   3   8.395   3.950   1.917
   25   1HG2  ILE   3          2HG2      ILE   3  10.972   1.573   3.301
   26   2HG2  ILE   3          1HG2      ILE   3  10.355   2.474   4.687
   27   3HG2  ILE   3          3HG2      ILE   3   9.831   0.813   4.413
   28   1HD1  ILE   3          1HD1      ILE   3  10.405   4.374   4.115
   29   2HD1  ILE   3          3HD1      ILE   3   9.774   5.613   3.030
   30   3HD1  ILE   3          2HD1      ILE   3   8.696   4.807   4.171
   31    H    SER   4           HN       SER   4   7.020   0.079   3.571
   32    HA   SER   4           HA       SER   4   4.871  -0.639   2.171
   33   1HB   SER   4           HB2      SER   4   4.594   0.551   4.921
   34   2HB   SER   4           HB1      SER   4   3.662  -0.767   4.210
   35    HG   SER   4           HG       SER   4   5.820  -1.855   4.067
   36    H    ARG   5           HN       ARG   5   5.347   2.623   3.392
   37    HA   ARG   5           HA       ARG   5   2.616   3.371   3.292
   38   1HB   ARG   5           HB2      ARG   5   3.448   5.633   3.742
   39   2HB   ARG   5           HB1      ARG   5   4.199   4.441   4.793
   40   1HG   ARG   5           HG2      ARG   5   6.095   4.424   3.048
   41   2HG   ARG   5           HG1      ARG   5   5.387   5.946   2.501
   42   1HD   ARG   5           HD2      ARG   5   7.119   6.446   4.067
   43   2HD   ARG   5           HD1      ARG   5   5.569   6.788   4.837
   44    HE   ARG   5           HE       ARG   5   6.135   4.220   5.576
   45   1HH1  ARG   5          1HH1      ARG   5   7.723   7.320   5.887
   46   2HH1  ARG   5          2HH1      ARG   5   8.644   6.856   7.279
   47   1HH2  ARG   5          1HH2      ARG   5   7.343   3.595   7.418
   48   2HH2  ARG   5          2HH2      ARG   5   8.445   4.729   8.142
   49    H    GLN   6           HN       GLN   6   5.072   3.300   0.884
   50    HA   GLN   6           HA       GLN   6   4.012   5.449  -0.697
   51   1HB   GLN   6           HB2      GLN   6   5.996   3.338  -1.498
   52   2HB   GLN   6           HB1      GLN   6   5.731   4.881  -2.297
   53   1HG   GLN   6           HG2      GLN   6   6.475   5.990  -0.191
   54   2HG   GLN   6           HG1      GLN   6   6.888   4.393   0.430
   55   1HE2  GLN   6          1HE2      GLN   6   7.284   5.416  -2.896
   56   2HE2  GLN   6          2HE2      GLN   6   9.017   5.399  -2.898
   57    H    CYS   7           HN       CYS   7   2.920   2.371  -0.179
   58    HA   CYS   7           HA       CYS   7   1.340   2.559  -2.666
   59   1HB   CYS   7           HB2      CYS   7   2.337   0.064  -1.273
   60   2HB   CYS   7           HB1      CYS   7   1.024   0.038  -2.439
   61    H    LEU   8           HN       LEU   8   1.390   2.759   0.652
   62    HA   LEU   8           HA       LEU   8  -1.043   1.527   1.375
   63   1HB   LEU   8           HB2      LEU   8   0.867   2.377   2.868
   64   2HB   LEU   8           HB1      LEU   8   0.083   3.939   2.748
   65    HG   LEU   8           HG       LEU   8  -0.432   2.516   4.788
   66   1HD1  LEU   8          1HD1      LEU   8  -2.710   3.535   3.112
   67   2HD1  LEU   8          3HD1      LEU   8  -2.788   3.196   4.842
   68   3HD1  LEU   8          2HD1      LEU   8  -1.736   4.479   4.240
   69   1HD2  LEU   8          2HD2      LEU   8  -0.738   0.393   3.592
   70   2HD2  LEU   8          1HD2      LEU   8  -2.131   0.819   4.585
   71   3HD2  LEU   8          3HD2      LEU   8  -2.190   1.053   2.840
   72    H    LYS   9           HN       LYS   9  -0.295   4.995   0.904
   73    HA   LYS   9           HA       LYS   9  -2.963   5.858   0.675
   74   1HB   LYS   9           HB2      LYS   9  -0.629   7.062  -0.770
   75   2HB   LYS   9           HB1      LYS   9  -2.125   7.853  -0.299
   76   1HG   LYS   9           HG2      LYS   9  -0.647   6.684   1.911
   77   2HG   LYS   9           HG1      LYS   9   0.190   7.947   1.014
   78   1HD   LYS   9           HD2      LYS   9  -1.717   9.444   1.308
   79   2HD   LYS   9           HD1      LYS   9  -2.596   8.167   2.150
   80   1HE   LYS   9           HE2      LYS   9  -1.657   9.762   3.734
   81   2HE   LYS   9           HE1      LYS   9  -0.905   8.178   3.922
   82   1HZ   LYS   9           HZ3      LYS   9   0.301  10.340   2.297
   83   2HZ   LYS   9           HZ2      LYS   9   0.643  10.141   3.943
   84   3HZ   LYS   9           HZ1      LYS   9   1.038   8.915   2.839
   85    HA   PRO  10           HA       PRO  10  -2.224   6.025  -4.027
   86   1HB   PRO  10           HB2      PRO  10  -0.037   4.167  -4.657
   87   2HB   PRO  10           HB1      PRO  10  -0.228   5.881  -5.044
   88   1HG   PRO  10           HG2      PRO  10   1.577   5.030  -3.270
   89   2HG   PRO  10           HG1      PRO  10   0.748   6.590  -3.121
   90   1HD   PRO  10           HD2      PRO  10   0.183   4.003  -1.740
   91   2HD   PRO  10           HD1      PRO  10   0.229   5.649  -1.074
   92    H    CYS  11           HN       CYS  11  -2.300   3.076  -2.305
   93    HA   CYS  11           HA       CYS  11  -3.854   1.870  -4.485
   94   1HB   CYS  11           HB2      CYS  11  -2.652   0.611  -2.019
   95   2HB   CYS  11           HB1      CYS  11  -3.732  -0.235  -3.123
   96    H    LYS  12           HN       LYS  12  -3.999   2.461  -0.949
   97    HA   LYS  12           HA       LYS  12  -6.674   1.528  -0.764
   98   1HB   LYS  12           HB2      LYS  12  -5.289   1.399   1.179
   99   2HB   LYS  12           HB1      LYS  12  -4.986   3.134   1.159
  100   1HG   LYS  12           HG2      LYS  12  -7.778   2.132   1.445
  101   2HG   LYS  12           HG1      LYS  12  -6.692   2.069   2.834
  102   1HD   LYS  12           HD2      LYS  12  -7.271   4.564   1.239
  103   2HD   LYS  12           HD1      LYS  12  -8.102   4.125   2.731
  104   1HE   LYS  12           HE2      LYS  12  -5.123   4.504   2.478
  105   2HE   LYS  12           HE1      LYS  12  -6.241   5.744   3.044
  106   1HZ   LYS  12           HZ3      LYS  12  -6.898   4.233   4.843
  107   2HZ   LYS  12           HZ2      LYS  12  -5.732   3.115   4.331
  108   3HZ   LYS  12           HZ1      LYS  12  -5.254   4.633   4.906
  109    H    ASP  13           HN       ASP  13  -5.268   4.771  -1.025
  110    HA   ASP  13           HA       ASP  13  -7.661   6.229  -0.738
  111   1HB   ASP  13           HB2      ASP  13  -5.426   7.300  -0.682
  112   2HB   ASP  13           HB1      ASP  13  -5.210   6.925  -2.389
  113    H    ALA  14           HN       ALA  14  -6.188   4.592  -3.456
  114    HA   ALA  14           HA       ALA  14  -7.908   5.633  -5.460
  115   1HB   ALA  14           HB3      ALA  14  -6.254   3.114  -5.486
  116   2HB   ALA  14           HB1      ALA  14  -5.702   4.716  -5.972
  117   3HB   ALA  14           HB2      ALA  14  -6.967   3.904  -6.893
  118    H    GLY  15           HN       GLY  15  -8.213   3.082  -3.142
  119   1HA   GLY  15           HA1      GLY  15 -10.628   2.116  -4.528
  120   2HA   GLY  15           HA2      GLY  15 -10.715   2.648  -2.858
  121    H    MET  16           HN       MET  16  -8.099   1.467  -2.166
  122    HA   MET  16           HA       MET  16  -9.003  -1.335  -2.111
  123   1HB   MET  16           HB2      MET  16  -6.117  -0.465  -1.901
  124   2HB   MET  16           HB1      MET  16  -6.731  -2.106  -2.056
  125   1HG   MET  16           HG2      MET  16  -7.738  -1.110  -4.298
  126   2HG   MET  16           HG1      MET  16  -6.383  -0.001  -4.097
  127   1HE   MET  16           HE1      MET  16  -5.391  -0.768  -6.430
  128   2HE   MET  16           HE3      MET  16  -5.084  -2.452  -6.852
  129   3HE   MET  16           HE2      MET  16  -6.740  -1.885  -6.640
  130    H    ARG  17           HN       ARG  17  -8.276  -2.507  -0.126
  131    HA   ARG  17           HA       ARG  17  -8.807  -0.838   2.170
  132   1HB   ARG  17           HB2      ARG  17  -9.676  -3.228   1.656
  133   2HB   ARG  17           HB1      ARG  17  -8.135  -3.757   2.312
  134   1HG   ARG  17           HG2      ARG  17  -8.637  -2.597   4.404
  135   2HG   ARG  17           HG1      ARG  17 -10.187  -2.078   3.741
  136   1HD   ARG  17           HD2      ARG  17  -9.280  -4.833   4.493
  137   2HD   ARG  17           HD1      ARG  17 -10.705  -3.952   5.038
  138    HE   ARG  17           HE       ARG  17 -10.421  -5.510   2.618
  139   1HH1  ARG  17          1HH1      ARG  17 -12.305  -3.049   4.272
  140   2HH1  ARG  17          2HH1      ARG  17 -13.738  -3.348   3.326
  141   1HH2  ARG  17          1HH2      ARG  17 -12.302  -5.897   1.392
  142   2HH2  ARG  17          2HH2      ARG  17 -13.738  -4.966   1.704
  143    H    PHE  18           HN       PHE  18  -6.257  -3.082   1.177
  144    HA   PHE  18           HA       PHE  18  -4.400  -1.635   2.944
  145   1HB   PHE  18           HB2      PHE  18  -4.427  -4.562   2.185
  146   2HB   PHE  18           HB1      PHE  18  -3.099  -3.779   3.033
  147    HD1  PHE  18           HD1      PHE  18  -3.469  -2.878   5.321
  148    HD2  PHE  18           HD2      PHE  18  -6.380  -5.244   3.311
  149    HE1  PHE  18           HE1      PHE  18  -4.595  -3.312   7.467
  150    HE2  PHE  18           HE2      PHE  18  -7.510  -5.682   5.451
  151    HZ   PHE  18           HZ       PHE  18  -6.594  -4.729   7.542
  152    H    GLY  19           HN       GLY  19  -2.120  -1.778   2.221
  153   1HA   GLY  19           HA1      GLY  19  -1.696  -0.677  -0.267
  154   2HA   GLY  19           HA2      GLY  19  -1.492  -2.412  -0.484
  155    H    LYS  20           HN       LYS  20  -0.252  -3.260   1.710
  156    HA   LYS  20           HA       LYS  20   1.787  -1.344   2.476
  157   1HB   LYS  20           HB2      LYS  20   1.279  -4.138   3.517
  158   2HB   LYS  20           HB1      LYS  20   2.423  -2.982   4.190
  159   1HG   LYS  20           HG2      LYS  20   0.511  -1.429   4.591
  160   2HG   LYS  20           HG1      LYS  20  -0.574  -2.729   4.100
  161   1HD   LYS  20           HD2      LYS  20  -0.467  -2.715   6.484
  162   2HD   LYS  20           HD1      LYS  20   0.416  -4.132   5.914
  163   1HE   LYS  20           HE2      LYS  20   2.524  -2.965   6.214
  164   2HE   LYS  20           HE1      LYS  20   1.666  -1.507   6.714
  165   1HZ   LYS  20           HZ1      LYS  20   1.577  -4.107   8.141
  166   2HZ   LYS  20           HZ3      LYS  20   2.517  -2.777   8.601
  167   3HZ   LYS  20           HZ2      LYS  20   0.827  -2.670   8.634
  168    H    CYS  21           HN       CYS  21   3.832  -1.397   1.965
  169    HA   CYS  21           HA       CYS  21   4.727  -3.408   0.018
  170   1HB   CYS  21           HB2      CYS  21   4.572  -1.123  -0.856
  171   2HB   CYS  21           HB1      CYS  21   5.638  -0.553   0.424
  172    H    MET  22           HN       MET  22   6.736  -4.337   0.195
  173    HA   MET  22           HA       MET  22   8.296  -3.653   2.599
  174   1HB   MET  22           HB2      MET  22   7.072  -5.825   2.835
  175   2HB   MET  22           HB1      MET  22   7.946  -6.427   1.433
  176   1HG   MET  22           HG2      MET  22   8.980  -7.256   3.427
  177   2HG   MET  22           HG1      MET  22  10.062  -6.105   2.645
  178   1HE   MET  22           HE3      MET  22   6.851  -5.287   4.771
  179   2HE   MET  22           HE2      MET  22   7.536  -6.686   5.600
  180   3HE   MET  22           HE1      MET  22   7.540  -5.106   6.384
  181    H    ASN  23           HN       ASN  23   9.666  -2.335   1.407
  182    HA   ASN  23           HA       ASN  23  11.563  -1.823   0.319
  183   1HB   ASN  23           HB2      ASN  23  12.135  -4.723   0.910
  184   2HB   ASN  23           HB1      ASN  23  13.337  -3.593   0.300
  185   1HD2  ASN  23          1HD2      ASN  23  13.290  -5.063   2.800
  186   2HD2  ASN  23          2HD2      ASN  23  13.351  -3.880   4.058
  187    H    GLY  24           HN       GLY  24   9.303  -2.870  -1.387
  188   1HA   GLY  24           HA1      GLY  24  10.792  -3.867  -3.681
  189   2HA   GLY  24           HA2      GLY  24  10.255  -2.203  -3.804
  190    H    LYS  25           HN       LYS  25   8.425  -4.747  -2.223
  191    HA   LYS  25           HA       LYS  25   6.519  -4.655  -4.469
  192   1HB   LYS  25           HB2      LYS  25   5.868  -6.962  -3.831
  193   2HB   LYS  25           HB1      LYS  25   7.545  -6.843  -4.346
  194   1HG   LYS  25           HG2      LYS  25   8.318  -6.947  -2.085
  195   2HG   LYS  25           HG1      LYS  25   6.667  -6.841  -1.470
  196   1HD   LYS  25           HD2      LYS  25   6.163  -8.993  -2.601
  197   2HD   LYS  25           HD1      LYS  25   7.869  -9.109  -3.051
  198   1HE   LYS  25           HE2      LYS  25   8.503  -9.084  -0.705
  199   2HE   LYS  25           HE1      LYS  25   6.812  -8.908  -0.238
  200   1HZ   LYS  25           HZ1      LYS  25   7.894 -11.237  -1.733
  201   2HZ   LYS  25           HZ3      LYS  25   7.669 -11.198  -0.053
  202   3HZ   LYS  25           HZ2      LYS  25   6.332 -11.073  -1.085
  203    H    CYS  26           HN       CYS  26   4.448  -4.123  -4.025
  204    HA   CYS  26           HA       CYS  26   3.642  -4.118  -1.201
  205   1HB   CYS  26           HB2      CYS  26   2.087  -2.198  -1.857
  206   2HB   CYS  26           HB1      CYS  26   3.792  -1.834  -1.660
  207    H    HIS  27           HN       HIS  27   1.919  -5.216  -0.700
  208    HA   HIS  27           HA       HIS  27   0.244  -6.260  -2.846
  209   1HB   HIS  27           HB2      HIS  27  -0.804  -7.604  -0.920
  210   2HB   HIS  27           HB1      HIS  27   0.835  -8.014  -1.402
  211    HD1  HIS  27           HD1      HIS  27   2.454  -8.221   0.446
  212    HD2  HIS  27           HD2      HIS  27  -0.818  -5.890   1.513
  213    HE1  HIS  27           HE1      HIS  27   2.786  -7.659   2.875
  214    HE2  HIS  27           HE2      HIS  27   0.675  -6.448   3.550
  215    H    CYS  28           HN       CYS  28  -1.340  -4.979  -3.458
  216    HA   CYS  28           HA       CYS  28  -2.757  -3.426  -1.409
  217   1HB   CYS  28           HB2      CYS  28  -2.897  -3.027  -4.405
  218   2HB   CYS  28           HB1      CYS  28  -3.470  -1.940  -3.150
  219    H    THR  29           HN       THR  29  -4.514  -4.370  -0.692
  220    HA   THR  29           HA       THR  29  -5.958  -6.227  -2.440
  221    HB   THR  29           HB       THR  29  -7.055  -6.915  -0.235
  222    HG1  THR  29           HG1      THR  29  -5.817  -6.334   1.636
  223   1HG2  THR  29          2HG2      THR  29  -5.320  -8.253  -1.325
  224   2HG2  THR  29          1HG2      THR  29  -4.069  -7.289  -0.539
  225   3HG2  THR  29          3HG2      THR  29  -5.143  -8.303   0.428
  226    HA   PRO  30           HA       PRO  30  -8.812  -2.770  -2.967
  227   1HB   PRO  30           HB2      PRO  30 -10.257  -4.940  -4.405
  228   2HB   PRO  30           HB1      PRO  30  -9.884  -3.293  -4.931
  229   1HG   PRO  30           HG2      PRO  30  -8.492  -5.304  -5.912
  230   2HG   PRO  30           HG1      PRO  30  -7.662  -3.815  -5.405
  231   1HD   PRO  30           HD2      PRO  30  -7.892  -6.433  -3.951
  232   2HD   PRO  30           HD1      PRO  30  -6.466  -5.396  -4.179
  233    H    LYS  31           HN       LYS  31 -11.018  -2.344  -2.492
  234    HA   LYS  31           HA       LYS  31 -11.911  -3.833  -0.159
  235   1HB   LYS  31           HB2      LYS  31 -12.927  -1.247  -1.359
  236   2HB   LYS  31           HB1      LYS  31 -13.475  -1.948   0.159
  237   1HG   LYS  31           HG2      LYS  31 -11.261  -1.693   1.108
  238   2HG   LYS  31           HG1      LYS  31 -10.661  -1.056  -0.423
  239   1HD   LYS  31           HD2      LYS  31 -11.086   0.774   1.090
  240   2HD   LYS  31           HD1      LYS  31 -12.263   0.818  -0.224
  241   1HE   LYS  31           HE2      LYS  31 -13.919  -0.247   1.218
  242   2HE   LYS  31           HE1      LYS  31 -12.741  -0.314   2.529
  243   1HZ   LYS  31           HZ3      LYS  31 -13.685   2.194   1.253
  244   2HZ   LYS  31           HZ2      LYS  31 -14.310   1.563   2.695
  245   3HZ   LYS  31           HZ1      LYS  31 -12.694   2.062   2.622

  No H/Q in entry =         245
  Start of MODEL   10
    1    H1   CYS   1           HT1      CYS   1   8.011   0.805  -5.077
    2    H2   CYS   1           HT3      CYS   1   7.291   2.339  -5.083
    3    H3   CYS   1           HT2      CYS   1   8.972   2.188  -4.925
    4    HA   CYS   1           HA       CYS   1   8.000   2.702  -2.796
    5   1HB   CYS   1           HB2      CYS   1   6.406   1.258  -1.754
    6   2HB   CYS   1           HB1      CYS   1   5.782   1.665  -3.347
    7    H    LYS   2           HN       LYS   2   9.834   2.482  -1.789
    8    HA   LYS   2           HA       LYS   2  11.080  -0.131  -1.494
    9   1HB   LYS   2           HB2      LYS   2  12.690   1.245  -0.047
   10   2HB   LYS   2           HB1      LYS   2  12.654   1.627  -1.767
   11   1HG   LYS   2           HG2      LYS   2  11.407   3.586  -1.415
   12   2HG   LYS   2           HG1      LYS   2  10.999   3.126   0.235
   13   1HD   LYS   2           HD2      LYS   2  13.311   3.431   0.917
   14   2HD   LYS   2           HD1      LYS   2  13.769   3.809  -0.748
   15   1HE   LYS   2           HE2      LYS   2  12.492   5.807  -0.737
   16   2HE   LYS   2           HE1      LYS   2  11.708   5.378   0.784
   17   1HZ   LYS   2           HZ3      LYS   2  14.623   5.887   0.508
   18   2HZ   LYS   2           HZ2      LYS   2  13.505   7.065   0.990
   19   3HZ   LYS   2           HZ1      LYS   2  13.749   5.687   1.948
   20    H    ILE   3           HN       ILE   3   8.807   1.871  -0.032
   21    HA   ILE   3           HA       ILE   3   8.933   0.434   2.508
   22    HB   ILE   3           HB       ILE   3   8.240   2.796   3.445
   23   1HG1  ILE   3          2HG1      ILE   3   9.987   3.478   1.084
   24   2HG1  ILE   3          1HG1      ILE   3   8.307   3.953   1.308
   25   1HG2  ILE   3          3HG2      ILE   3  11.082   1.956   2.899
   26   2HG2  ILE   3          2HG2      ILE   3  10.591   3.149   4.101
   27   3HG2  ILE   3          1HG2      ILE   3  10.091   1.465   4.273
   28   1HD1  ILE   3          3HD1      ILE   3  10.631   4.823   3.013
   29   2HD1  ILE   3          2HD1      ILE   3   9.828   5.789   1.774
   30   3HD1  ILE   3          1HD1      ILE   3   8.951   5.312   3.228
   31    H    SER   4           HN       SER   4   7.028   0.240   3.619
   32    HA   SER   4           HA       SER   4   4.833  -0.457   2.257
   33   1HB   SER   4           HB2      SER   4   3.570  -0.014   4.473
   34   2HB   SER   4           HB1      SER   4   4.917  -1.154   4.467
   35    HG   SER   4           HG       SER   4   6.210   0.350   5.426
   36    H    ARG   5           HN       ARG   5   5.417   2.836   3.389
   37    HA   ARG   5           HA       ARG   5   2.696   3.640   3.225
   38   1HB   ARG   5           HB2      ARG   5   3.499   5.898   3.620
   39   2HB   ARG   5           HB1      ARG   5   4.287   4.762   4.704
   40   1HG   ARG   5           HG2      ARG   5   6.274   4.790   3.244
   41   2HG   ARG   5           HG1      ARG   5   5.479   5.993   2.222
   42   1HD   ARG   5           HD2      ARG   5   5.324   7.504   4.124
   43   2HD   ARG   5           HD1      ARG   5   6.102   6.305   5.150
   44    HE   ARG   5           HE       ARG   5   7.484   7.487   2.824
   45   1HH1  ARG   5          1HH1      ARG   5   7.383   6.563   6.202
   46   2HH1  ARG   5          2HH1      ARG   5   8.974   7.173   6.543
   47   1HH2  ARG   5          1HH2      ARG   5   9.583   8.293   3.280
   48   2HH2  ARG   5          2HH2      ARG   5  10.217   8.149   4.893
   49    H    GLN   6           HN       GLN   6   5.231   3.471   0.905
   50    HA   GLN   6           HA       GLN   6   4.243   5.515  -0.825
   51   1HB   GLN   6           HB2      GLN   6   6.307   3.360  -1.147
   52   2HB   GLN   6           HB1      GLN   6   5.885   4.442  -2.469
   53   1HG   GLN   6           HG2      GLN   6   6.485   6.339  -0.941
   54   2HG   GLN   6           HG1      GLN   6   7.094   5.130   0.191
   55   1HE2  GLN   6          1HE2      GLN   6   7.339   4.864  -3.294
   56   2HE2  GLN   6          2HE2      GLN   6   9.061   5.053  -3.377
   57    H    CYS   7           HN       CYS   7   3.114   2.434  -0.187
   58    HA   CYS   7           HA       CYS   7   1.435   2.639  -2.600
   59   1HB   CYS   7           HB2      CYS   7   2.499   0.129  -1.303
   60   2HB   CYS   7           HB1      CYS   7   1.116   0.117  -2.393
   61    H    LEU   8           HN       LEU   8   1.555   3.020   0.621
   62    HA   LEU   8           HA       LEU   8  -0.738   1.581   1.505
   63   1HB   LEU   8           HB2      LEU   8   1.034   2.284   3.037
   64   2HB   LEU   8           HB1      LEU   8   0.667   3.966   2.710
   65    HG   LEU   8           HG       LEU   8  -1.565   3.660   3.715
   66   1HD1  LEU   8          3HD1      LEU   8  -0.522   0.920   4.432
   67   2HD1  LEU   8          2HD1      LEU   8  -2.017   1.641   5.029
   68   3HD1  LEU   8          1HD1      LEU   8  -1.840   1.268   3.313
   69   1HD2  LEU   8          1HD2      LEU   8   0.286   4.513   5.052
   70   2HD2  LEU   8          3HD2      LEU   8  -0.800   3.530   6.029
   71   3HD2  LEU   8          2HD2      LEU   8   0.741   2.864   5.489
   72    H    LYS   9           HN       LYS   9  -0.190   5.073   0.978
   73    HA   LYS   9           HA       LYS   9  -2.999   5.529   1.129
   74   1HB   LYS   9           HB2      LYS   9  -2.575   7.834   0.907
   75   2HB   LYS   9           HB1      LYS   9  -1.358   7.161   1.952
   76   1HG   LYS   9           HG2      LYS   9  -0.224   8.709   0.708
   77   2HG   LYS   9           HG1      LYS   9   0.140   7.191  -0.087
   78   1HD   LYS   9           HD2      LYS   9  -0.378   9.009  -1.686
   79   2HD   LYS   9           HD1      LYS   9  -1.494   7.649  -1.818
   80   1HE   LYS   9           HE2      LYS   9  -3.119   8.878  -0.439
   81   2HE   LYS   9           HE1      LYS   9  -2.008  10.246  -0.368
   82   1HZ   LYS   9           HZ2      LYS   9  -3.049   9.140  -2.917
   83   2HZ   LYS   9           HZ1      LYS   9  -3.802  10.407  -2.081
   84   3HZ   LYS   9           HZ3      LYS   9  -2.229  10.603  -2.676
   85    HA   PRO  10           HA       PRO  10  -2.371   6.265  -3.706
   86   1HB   PRO  10           HB2      PRO  10  -0.601   3.897  -4.107
   87   2HB   PRO  10           HB1      PRO  10  -0.617   5.450  -4.956
   88   1HG   PRO  10           HG2      PRO  10   1.272   4.943  -3.179
   89   2HG   PRO  10           HG1      PRO  10   0.510   6.546  -3.229
   90   1HD   PRO  10           HD2      PRO  10   0.011   4.272  -1.340
   91   2HD   PRO  10           HD1      PRO  10   0.137   6.005  -0.982
   92    H    CYS  11           HN       CYS  11  -2.244   3.034  -2.217
   93    HA   CYS  11           HA       CYS  11  -4.108   1.994  -4.159
   94   1HB   CYS  11           HB2      CYS  11  -2.809   0.749  -1.740
   95   2HB   CYS  11           HB1      CYS  11  -3.963  -0.101  -2.765
   96    H    LYS  12           HN       LYS  12  -4.198   2.812  -0.683
   97    HA   LYS  12           HA       LYS  12  -6.861   1.863  -0.365
   98   1HB   LYS  12           HB2      LYS  12  -5.281   3.789   1.349
   99   2HB   LYS  12           HB1      LYS  12  -6.837   3.089   1.790
  100   1HG   LYS  12           HG2      LYS  12  -5.892   0.873   1.777
  101   2HG   LYS  12           HG1      LYS  12  -4.338   1.507   1.231
  102   1HD   LYS  12           HD2      LYS  12  -4.325   1.045   3.636
  103   2HD   LYS  12           HD1      LYS  12  -4.112   2.766   3.310
  104   1HE   LYS  12           HE2      LYS  12  -6.908   1.993   3.639
  105   2HE   LYS  12           HE1      LYS  12  -5.923   1.662   5.065
  106   1HZ   LYS  12           HZ3      LYS  12  -6.063   4.293   3.679
  107   2HZ   LYS  12           HZ2      LYS  12  -6.916   3.890   5.089
  108   3HZ   LYS  12           HZ1      LYS  12  -5.224   3.948   5.111
  109    H    ASP  13           HN       ASP  13  -5.477   4.884  -1.386
  110    HA   ASP  13           HA       ASP  13  -7.992   6.296  -1.314
  111   1HB   ASP  13           HB2      ASP  13  -5.868   7.510  -1.043
  112   2HB   ASP  13           HB1      ASP  13  -5.367   7.007  -2.653
  113    H    ALA  14           HN       ALA  14  -6.537   4.033  -3.329
  114    HA   ALA  14           HA       ALA  14  -7.925   4.903  -5.740
  115   1HB   ALA  14           HB2      ALA  14  -6.139   2.520  -5.265
  116   2HB   ALA  14           HB3      ALA  14  -5.645   4.065  -5.956
  117   3HB   ALA  14           HB1      ALA  14  -6.781   3.036  -6.824
  118    H    GLY  15           HN       GLY  15  -8.598   3.070  -3.020
  119   1HA   GLY  15           HA1      GLY  15 -10.668   1.561  -4.494
  120   2HA   GLY  15           HA2      GLY  15 -10.989   2.372  -2.969
  121    H    MET  16           HN       MET  16  -7.917   1.044  -2.909
  122    HA   MET  16           HA       MET  16  -8.694  -1.615  -2.094
  123   1HB   MET  16           HB2      MET  16  -6.064  -0.135  -2.067
  124   2HB   MET  16           HB1      MET  16  -6.242  -1.757  -1.416
  125   1HG   MET  16           HG2      MET  16  -5.339  -1.901  -3.617
  126   2HG   MET  16           HG1      MET  16  -6.985  -2.525  -3.644
  127   1HE   MET  16           HE1      MET  16  -6.958  -2.402  -6.279
  128   2HE   MET  16           HE3      MET  16  -6.596  -0.941  -7.199
  129   3HE   MET  16           HE2      MET  16  -5.323  -1.741  -6.273
  130    H    ARG  17           HN       ARG  17  -8.490  -2.467   0.018
  131    HA   ARG  17           HA       ARG  17  -9.087  -0.563   2.104
  132   1HB   ARG  17           HB2      ARG  17  -8.704  -3.555   2.324
  133   2HB   ARG  17           HB1      ARG  17  -9.398  -2.491   3.538
  134   1HG   ARG  17           HG2      ARG  17 -11.200  -1.936   1.889
  135   2HG   ARG  17           HG1      ARG  17 -10.561  -3.222   0.868
  136   1HD   ARG  17           HD2      ARG  17 -11.547  -3.576   3.696
  137   2HD   ARG  17           HD1      ARG  17 -12.478  -3.943   2.247
  138    HE   ARG  17           HE       ARG  17  -9.954  -5.323   2.915
  139   1HH1  ARG  17          1HH1      ARG  17 -13.280  -5.365   1.778
  140   2HH1  ARG  17          2HH1      ARG  17 -13.297  -7.088   1.545
  141   1HH2  ARG  17          1HH2      ARG  17 -10.021  -7.599   2.638
  142   2HH2  ARG  17          2HH2      ARG  17 -11.470  -8.349   2.031
  143    H    PHE  18           HN       PHE  18  -6.427  -2.614   1.125
  144    HA   PHE  18           HA       PHE  18  -4.690  -1.136   2.953
  145   1HB   PHE  18           HB2      PHE  18  -4.811  -4.147   2.745
  146   2HB   PHE  18           HB1      PHE  18  -3.452  -3.284   3.451
  147    HD1  PHE  18           HD1      PHE  18  -3.858  -1.858   5.486
  148    HD2  PHE  18           HD2      PHE  18  -6.740  -4.609   3.989
  149    HE1  PHE  18           HE1      PHE  18  -5.004  -1.839   7.665
  150    HE2  PHE  18           HE2      PHE  18  -7.893  -4.590   6.161
  151    HZ   PHE  18           HZ       PHE  18  -7.030  -3.183   7.999
  152    H    GLY  19           HN       GLY  19  -2.467  -1.190   2.353
  153   1HA   GLY  19           HA1      GLY  19  -1.787  -0.652  -0.205
  154   2HA   GLY  19           HA2      GLY  19  -1.666  -2.408  -0.135
  155    H    LYS  20           HN       LYS  20  -0.046  -3.358   1.138
  156    HA   LYS  20           HA       LYS  20   1.754  -1.461   2.486
  157   1HB   LYS  20           HB2      LYS  20   0.615  -3.133   3.930
  158   2HB   LYS  20           HB1      LYS  20   1.392  -4.414   3.014
  159   1HG   LYS  20           HG2      LYS  20   3.530  -3.833   3.826
  160   2HG   LYS  20           HG1      LYS  20   2.940  -2.301   4.478
  161   1HD   LYS  20           HD2      LYS  20   1.532  -3.529   6.067
  162   2HD   LYS  20           HD1      LYS  20   2.149  -5.053   5.424
  163   1HE   LYS  20           HE2      LYS  20   4.364  -4.541   6.178
  164   2HE   LYS  20           HE1      LYS  20   3.878  -2.911   6.640
  165   1HZ   LYS  20           HZ3      LYS  20   2.644  -5.313   7.834
  166   2HZ   LYS  20           HZ2      LYS  20   4.048  -4.615   8.474
  167   3HZ   LYS  20           HZ1      LYS  20   2.607  -3.719   8.405
  168    H    CYS  21           HN       CYS  21   3.807  -1.295   1.874
  169    HA   CYS  21           HA       CYS  21   4.832  -3.247  -0.077
  170   1HB   CYS  21           HB2      CYS  21   4.577  -0.939  -0.953
  171   2HB   CYS  21           HB1      CYS  21   5.681  -0.367   0.297
  172    H    MET  22           HN       MET  22   6.800  -4.189   0.247
  173    HA   MET  22           HA       MET  22   8.509  -3.125   2.366
  174   1HB   MET  22           HB2      MET  22   7.138  -4.987   3.320
  175   2HB   MET  22           HB1      MET  22   7.842  -6.066   2.124
  176   1HG   MET  22           HG2      MET  22  10.005  -5.844   3.076
  177   2HG   MET  22           HG1      MET  22   9.478  -4.521   4.116
  178   1HE   MET  22           HE2      MET  22   7.879  -4.799   6.180
  179   2HE   MET  22           HE1      MET  22   6.667  -5.541   5.136
  180   3HE   MET  22           HE3      MET  22   7.126  -6.325   6.647
  181    H    ASN  23           HN       ASN  23  10.543  -2.957   1.701
  182    HA   ASN  23           HA       ASN  23  12.494  -3.276   0.597
  183   1HB   ASN  23           HB2      ASN  23  12.241  -5.688   0.904
  184   2HB   ASN  23           HB1      ASN  23  11.207  -5.779  -0.515
  185   1HD2  ASN  23          1HD2      ASN  23  12.117  -5.679  -2.549
  186   2HD2  ASN  23          2HD2      ASN  23  13.822  -5.789  -2.822
  187    H    GLY  24           HN       GLY  24  10.031  -4.438  -1.715
  188   1HA   GLY  24           HA1      GLY  24  11.113  -3.307  -3.992
  189   2HA   GLY  24           HA2      GLY  24  10.124  -2.048  -3.268
  190    H    LYS  25           HN       LYS  25   8.248  -4.064  -2.176
  191    HA   LYS  25           HA       LYS  25   6.676  -4.450  -4.591
  192   1HB   LYS  25           HB2      LYS  25   6.208  -6.810  -4.051
  193   2HB   LYS  25           HB1      LYS  25   7.912  -6.547  -4.401
  194   1HG   LYS  25           HG2      LYS  25   8.372  -6.499  -1.978
  195   2HG   LYS  25           HG1      LYS  25   6.671  -6.856  -1.674
  196   1HD   LYS  25           HD2      LYS  25   7.882  -8.904  -1.522
  197   2HD   LYS  25           HD1      LYS  25   6.958  -8.942  -3.025
  198   1HE   LYS  25           HE2      LYS  25   8.914  -8.413  -4.310
  199   2HE   LYS  25           HE1      LYS  25   9.859  -8.142  -2.845
  200   1HZ   LYS  25           HZ2      LYS  25   8.684 -10.740  -3.682
  201   2HZ   LYS  25           HZ1      LYS  25  10.321 -10.308  -3.818
  202   3HZ   LYS  25           HZ3      LYS  25   9.606 -10.476  -2.285
  203    H    CYS  26           HN       CYS  26   4.590  -3.923  -4.195
  204    HA   CYS  26           HA       CYS  26   3.704  -4.073  -1.404
  205   1HB   CYS  26           HB2      CYS  26   2.151  -2.153  -1.965
  206   2HB   CYS  26           HB1      CYS  26   3.857  -1.768  -1.810
  207    H    HIS  27           HN       HIS  27   1.902  -5.082  -0.961
  208    HA   HIS  27           HA       HIS  27   0.280  -6.055  -3.202
  209   1HB   HIS  27           HB2      HIS  27  -0.519  -7.814  -1.694
  210   2HB   HIS  27           HB1      HIS  27   1.234  -7.833  -1.794
  211    HD1  HIS  27           HD1      HIS  27   2.523  -6.873   0.347
  212    HD2  HIS  27           HD2      HIS  27  -1.545  -7.574   0.827
  213    HE1  HIS  27           HE1      HIS  27   2.122  -6.877   2.826
  214    HE2  HIS  27           HE2      HIS  27  -0.286  -7.565   3.086
  215    H    CYS  28           HN       CYS  28  -1.515  -4.997  -3.552
  216    HA   CYS  28           HA       CYS  28  -2.701  -3.486  -1.332
  217   1HB   CYS  28           HB2      CYS  28  -2.889  -3.008  -4.315
  218   2HB   CYS  28           HB1      CYS  28  -3.650  -2.016  -3.074
  219    H    THR  29           HN       THR  29  -4.482  -4.311  -0.529
  220    HA   THR  29           HA       THR  29  -5.956  -6.323  -2.039
  221    HB   THR  29           HB       THR  29  -7.102  -6.665   0.207
  222    HG1  THR  29           HG1      THR  29  -6.611  -5.340   1.779
  223   1HG2  THR  29          1HG2      THR  29  -5.257  -8.100  -0.562
  224   2HG2  THR  29          3HG2      THR  29  -4.093  -6.970   0.134
  225   3HG2  THR  29          2HG2      THR  29  -5.203  -7.856   1.183
  226    HA   PRO  30           HA       PRO  30  -8.738  -2.986  -3.166
  227   1HB   PRO  30           HB2      PRO  30 -10.212  -5.205  -4.454
  228   2HB   PRO  30           HB1      PRO  30  -9.569  -3.718  -5.161
  229   1HG   PRO  30           HG2      PRO  30  -8.384  -6.041  -5.650
  230   2HG   PRO  30           HG1      PRO  30  -7.420  -4.581  -5.339
  231   1HD   PRO  30           HD2      PRO  30  -8.109  -6.818  -3.453
  232   2HD   PRO  30           HD1      PRO  30  -6.529  -6.058  -3.755
  233    H    LYS  31           HN       LYS  31 -11.120  -2.673  -3.222
  234    HA   LYS  31           HA       LYS  31 -12.238  -3.411  -0.662
  235   1HB   LYS  31           HB2      LYS  31 -12.357  -1.110  -1.770
  236   2HB   LYS  31           HB1      LYS  31 -13.547  -1.802  -2.860
  237   1HG   LYS  31           HG2      LYS  31 -14.689  -0.624  -1.132
  238   2HG   LYS  31           HG1      LYS  31 -14.952  -2.352  -0.891
  239   1HD   LYS  31           HD2      LYS  31 -14.481  -1.235   1.230
  240   2HD   LYS  31           HD1      LYS  31 -13.207  -2.384   0.820
  241   1HE   LYS  31           HE2      LYS  31 -12.194  -0.377   1.663
  242   2HE   LYS  31           HE1      LYS  31 -11.856  -0.506  -0.060
  243   1HZ   LYS  31           HZ1      LYS  31 -13.991   1.182   1.132
  244   2HZ   LYS  31           HZ3      LYS  31 -12.473   1.744   0.626
  245   3HZ   LYS  31           HZ2      LYS  31 -13.563   1.112  -0.509

  No H/Q in entry =         245
  Start of MODEL   11
    1    H1   CYS   1           HT2      CYS   1   7.920   0.114  -5.175
    2    H2   CYS   1           HT1      CYS   1   6.960   1.462  -5.562
    3    H3   CYS   1           HT3      CYS   1   8.634   1.641  -5.371
    4    HA   CYS   1           HA       CYS   1   7.568   2.487  -3.432
    5   1HB   CYS   1           HB2      CYS   1   6.066   1.172  -2.108
    6   2HB   CYS   1           HB1      CYS   1   5.486   1.118  -3.764
    7    H    LYS   2           HN       LYS   2   8.859   2.540  -1.726
    8    HA   LYS   2           HA       LYS   2  10.863   0.411  -1.456
    9   1HB   LYS   2           HB2      LYS   2  10.892   3.061  -0.027
   10   2HB   LYS   2           HB1      LYS   2  12.249   2.011  -0.410
   11   1HG   LYS   2           HG2      LYS   2  12.177   2.626  -2.705
   12   2HG   LYS   2           HG1      LYS   2  10.639   3.467  -2.491
   13   1HD   LYS   2           HD2      LYS   2  11.847   4.975  -0.855
   14   2HD   LYS   2           HD1      LYS   2  13.347   4.247  -1.435
   15   1HE   LYS   2           HE2      LYS   2  11.311   5.638  -3.166
   16   2HE   LYS   2           HE1      LYS   2  12.793   6.379  -2.562
   17   1HZ   LYS   2           HZ1      LYS   2  14.056   4.668  -3.763
   18   2HZ   LYS   2           HZ3      LYS   2  12.610   4.048  -4.397
   19   3HZ   LYS   2           HZ2      LYS   2  13.108   5.612  -4.802
   20    H    ILE   3           HN       ILE   3   8.358   2.148   0.198
   21    HA   ILE   3           HA       ILE   3   8.624   0.455   2.595
   22    HB   ILE   3           HB       ILE   3   7.885   3.352   2.683
   23   1HG1  ILE   3          2HG1      ILE   3  10.661   2.212   3.007
   24   2HG1  ILE   3          1HG1      ILE   3  10.106   3.275   1.717
   25   1HG2  ILE   3          1HG2      ILE   3   8.917   1.460   4.792
   26   2HG2  ILE   3          3HG2      ILE   3   8.561   3.168   5.054
   27   3HG2  ILE   3          2HG2      ILE   3   7.262   2.053   4.629
   28   1HD1  ILE   3          1HD1      ILE   3   9.743   5.054   3.344
   29   2HD1  ILE   3          3HD1      ILE   3  10.308   3.990   4.631
   30   3HD1  ILE   3          2HD1      ILE   3  11.415   4.492   3.354
   31    H    SER   4           HN       SER   4   6.577   0.308   3.811
   32    HA   SER   4           HA       SER   4   4.441  -0.401   2.338
   33   1HB   SER   4           HB2      SER   4   4.322   0.811   5.084
   34   2HB   SER   4           HB1      SER   4   3.054  -0.169   4.360
   35    HG   SER   4           HG       SER   4   5.513  -1.366   4.266
   36    H    ARG   5           HN       ARG   5   5.115   2.861   3.395
   37    HA   ARG   5           HA       ARG   5   2.477   3.828   2.933
   38   1HB   ARG   5           HB2      ARG   5   3.442   6.052   3.369
   39   2HB   ARG   5           HB1      ARG   5   3.854   4.876   4.604
   40   1HG   ARG   5           HG2      ARG   5   5.885   5.833   4.365
   41   2HG   ARG   5           HG1      ARG   5   6.028   4.626   3.084
   42   1HD   ARG   5           HD2      ARG   5   6.759   6.837   2.325
   43   2HD   ARG   5           HD1      ARG   5   5.345   6.281   1.430
   44    HE   ARG   5           HE       ARG   5   4.967   8.071   3.724
   45   1HH1  ARG   5          1HH1      ARG   5   4.948   7.604   0.256
   46   2HH1  ARG   5          2HH1      ARG   5   3.973   9.009  -0.064
   47   1HH2  ARG   5          1HH2      ARG   5   3.658   9.905   3.321
   48   2HH2  ARG   5          2HH2      ARG   5   3.207  10.303   1.687
   49    H    GLN   6           HN       GLN   6   5.206   3.335   0.918
   50    HA   GLN   6           HA       GLN   6   4.594   5.319  -1.038
   51   1HB   GLN   6           HB2      GLN   6   6.316   2.851  -1.138
   52   2HB   GLN   6           HB1      GLN   6   6.155   3.968  -2.483
   53   1HG   GLN   6           HG2      GLN   6   7.149   4.697   0.259
   54   2HG   GLN   6           HG1      GLN   6   8.174   4.342  -1.131
   55   1HE2  GLN   6          1HE2      GLN   6   8.282   5.812  -2.827
   56   2HE2  GLN   6          2HE2      GLN   6   7.731   7.445  -2.662
   57    H    CYS   7           HN       CYS   7   3.105   2.352  -0.302
   58    HA   CYS   7           HA       CYS   7   1.640   2.549  -2.855
   59   1HB   CYS   7           HB2      CYS   7   2.518   0.099  -1.363
   60   2HB   CYS   7           HB1      CYS   7   1.064   0.051  -2.353
   61    H    LEU   8           HN       LEU   8   1.513   2.741   0.508
   62    HA   LEU   8           HA       LEU   8  -1.074   1.796   1.049
   63   1HB   LEU   8           HB2      LEU   8   0.640   2.356   2.768
   64   2HB   LEU   8           HB1      LEU   8   0.381   4.057   2.424
   65    HG   LEU   8           HG       LEU   8  -1.974   3.827   3.166
   66   1HD1  LEU   8          3HD1      LEU   8  -1.125   1.034   3.932
   67   2HD1  LEU   8          2HD1      LEU   8  -2.642   1.808   4.389
   68   3HD1  LEU   8          1HD1      LEU   8  -2.303   1.466   2.692
   69   1HD2  LEU   8          1HD2      LEU   8  -0.240   4.593   4.712
   70   2HD2  LEU   8          3HD2      LEU   8  -1.485   3.663   5.546
   71   3HD2  LEU   8          2HD2      LEU   8   0.075   2.925   5.188
   72    H    LYS   9           HN       LYS   9   0.059   5.097   0.350
   73    HA   LYS   9           HA       LYS   9  -2.533   6.216   0.213
   74   1HB   LYS   9           HB2      LYS   9   0.055   7.176  -1.012
   75   2HB   LYS   9           HB1      LYS   9  -1.429   8.110  -0.972
   76   1HG   LYS   9           HG2      LYS   9   0.009   7.090   1.451
   77   2HG   LYS   9           HG1      LYS   9   0.196   8.713   0.784
   78   1HD   LYS   9           HD2      LYS   9  -2.194   9.120   1.104
   79   2HD   LYS   9           HD1      LYS   9  -2.380   7.502   1.784
   80   1HE   LYS   9           HE2      LYS   9  -0.958   8.062   3.639
   81   2HE   LYS   9           HE1      LYS   9  -0.580   9.632   2.930
   82   1HZ   LYS   9           HZ2      LYS   9  -3.277   8.760   3.822
   83   2HZ   LYS   9           HZ1      LYS   9  -2.252   9.810   4.673
   84   3HZ   LYS   9           HZ3      LYS   9  -2.885  10.275   3.169
   85    HA   PRO  10           HA       PRO  10  -1.994   5.896  -4.645
   86   1HB   PRO  10           HB2      PRO  10  -0.238   3.500  -4.761
   87   2HB   PRO  10           HB1      PRO  10  -0.277   4.927  -5.802
   88   1HG   PRO  10           HG2      PRO  10   1.655   4.659  -4.030
   89   2HG   PRO  10           HG1      PRO  10   0.877   6.238  -4.267
   90   1HD   PRO  10           HD2      PRO  10   0.435   4.220  -2.095
   91   2HD   PRO  10           HD1      PRO  10   0.595   5.981  -1.975
   92    H    CYS  11           HN       CYS  11  -2.015   2.939  -2.648
   93    HA   CYS  11           HA       CYS  11  -3.927   1.752  -4.528
   94   1HB   CYS  11           HB2      CYS  11  -2.548   0.534  -2.135
   95   2HB   CYS  11           HB1      CYS  11  -3.609  -0.322  -3.245
   96    H    LYS  12           HN       LYS  12  -3.672   2.329  -0.988
   97    HA   LYS  12           HA       LYS  12  -6.288   1.247  -0.615
   98   1HB   LYS  12           HB2      LYS  12  -4.645   0.927   1.126
   99   2HB   LYS  12           HB1      LYS  12  -4.453   2.671   1.311
  100   1HG   LYS  12           HG2      LYS  12  -6.841   2.792   1.953
  101   2HG   LYS  12           HG1      LYS  12  -6.889   1.030   1.910
  102   1HD   LYS  12           HD2      LYS  12  -5.094   0.995   3.619
  103   2HD   LYS  12           HD1      LYS  12  -5.192   2.756   3.706
  104   1HE   LYS  12           HE2      LYS  12  -7.392   0.798   4.323
  105   2HE   LYS  12           HE1      LYS  12  -6.490   1.767   5.488
  106   1HZ   LYS  12           HZ3      LYS  12  -8.212   2.874   3.335
  107   2HZ   LYS  12           HZ2      LYS  12  -8.689   2.693   4.949
  108   3HZ   LYS  12           HZ1      LYS  12  -7.425   3.755   4.553
  109    H    ASP  13           HN       ASP  13  -4.886   4.494  -0.502
  110    HA   ASP  13           HA       ASP  13  -7.312   5.751   0.307
  111   1HB   ASP  13           HB2      ASP  13  -4.881   6.620   0.520
  112   2HB   ASP  13           HB1      ASP  13  -5.075   7.150  -1.148
  113    H    ALA  14           HN       ALA  14  -6.460   4.281  -2.514
  114    HA   ALA  14           HA       ALA  14  -8.059   6.060  -4.206
  115   1HB   ALA  14           HB2      ALA  14  -6.209   3.824  -5.016
  116   2HB   ALA  14           HB3      ALA  14  -5.798   5.541  -4.991
  117   3HB   ALA  14           HB1      ALA  14  -7.036   4.945  -6.101
  118    H    GLY  15           HN       GLY  15  -8.491   3.288  -2.371
  119   1HA   GLY  15           HA1      GLY  15 -10.478   2.222  -4.279
  120   2HA   GLY  15           HA2      GLY  15 -10.988   2.705  -2.673
  121    H    MET  16           HN       MET  16  -7.913   1.345  -2.489
  122    HA   MET  16           HA       MET  16  -8.983  -1.360  -2.190
  123   1HB   MET  16           HB2      MET  16  -6.097  -0.515  -1.909
  124   2HB   MET  16           HB1      MET  16  -6.720  -2.142  -2.150
  125   1HG   MET  16           HG2      MET  16  -7.692  -1.044  -4.353
  126   2HG   MET  16           HG1      MET  16  -6.346   0.060  -4.082
  127   1HE   MET  16           HE3      MET  16  -6.671  -1.663  -6.711
  128   2HE   MET  16           HE2      MET  16  -5.307  -0.581  -6.433
  129   3HE   MET  16           HE1      MET  16  -5.021  -2.242  -6.946
  130    H    ARG  17           HN       ARG  17  -8.457  -2.609  -0.262
  131    HA   ARG  17           HA       ARG  17  -8.909  -1.031   2.109
  132   1HB   ARG  17           HB2      ARG  17  -8.620  -4.004   1.700
  133   2HB   ARG  17           HB1      ARG  17  -9.034  -3.234   3.226
  134   1HG   ARG  17           HG2      ARG  17 -11.082  -2.392   2.322
  135   2HG   ARG  17           HG1      ARG  17 -10.655  -2.965   0.710
  136   1HD   ARG  17           HD2      ARG  17 -10.989  -4.767   3.095
  137   2HD   ARG  17           HD1      ARG  17 -12.290  -4.394   1.966
  138    HE   ARG  17           HE       ARG  17 -10.492  -5.320   0.271
  139   1HH1  ARG  17          1HH1      ARG  17 -11.235  -6.489   3.463
  140   2HH1  ARG  17          2HH1      ARG  17 -11.002  -8.165   3.056
  141   1HH2  ARG  17          1HH2      ARG  17 -10.154  -7.526  -0.291
  142   2HH2  ARG  17          2HH2      ARG  17 -10.371  -8.748   0.926
  143    H    PHE  18           HN       PHE  18  -6.353  -3.053   0.789
  144    HA   PHE  18           HA       PHE  18  -4.538  -1.902   2.795
  145   1HB   PHE  18           HB2      PHE  18  -4.570  -4.745   1.752
  146   2HB   PHE  18           HB1      PHE  18  -3.239  -4.054   2.671
  147    HD1  PHE  18           HD1      PHE  18  -3.467  -3.594   5.042
  148    HD2  PHE  18           HD2      PHE  18  -6.666  -5.308   2.817
  149    HE1  PHE  18           HE1      PHE  18  -4.580  -4.238   7.140
  150    HE2  PHE  18           HE2      PHE  18  -7.782  -5.953   4.911
  151    HZ   PHE  18           HZ       PHE  18  -6.740  -5.415   7.075
  152    H    GLY  19           HN       GLY  19  -2.351  -1.690   2.103
  153   1HA   GLY  19           HA1      GLY  19  -1.866  -0.494  -0.287
  154   2HA   GLY  19           HA2      GLY  19  -1.628  -2.204  -0.632
  155    H    LYS  20           HN       LYS  20  -0.456  -3.171   1.576
  156    HA   LYS  20           HA       LYS  20   1.531  -1.324   2.580
  157   1HB   LYS  20           HB2      LYS  20   0.934  -4.214   3.217
  158   2HB   LYS  20           HB1      LYS  20   2.203  -3.282   4.004
  159   1HG   LYS  20           HG2      LYS  20   0.622  -1.798   4.975
  160   2HG   LYS  20           HG1      LYS  20  -0.689  -2.459   4.001
  161   1HD   LYS  20           HD2      LYS  20  -0.895  -3.310   6.229
  162   2HD   LYS  20           HD1      LYS  20  -0.394  -4.629   5.174
  163   1HE   LYS  20           HE2      LYS  20   1.610  -3.035   6.738
  164   2HE   LYS  20           HE1      LYS  20   0.742  -4.378   7.475
  165   1HZ   LYS  20           HZ1      LYS  20   1.581  -5.663   5.413
  166   2HZ   LYS  20           HZ3      LYS  20   2.737  -4.422   5.309
  167   3HZ   LYS  20           HZ2      LYS  20   2.639  -5.381   6.704
  168    H    CYS  21           HN       CYS  21   3.553  -1.195   1.988
  169    HA   CYS  21           HA       CYS  21   4.634  -3.167   0.088
  170   1HB   CYS  21           HB2      CYS  21   4.434  -0.900  -0.830
  171   2HB   CYS  21           HB1      CYS  21   5.389  -0.268   0.499
  172    H    MET  22           HN       MET  22   6.659  -4.029   0.414
  173    HA   MET  22           HA       MET  22   8.301  -2.854   2.535
  174   1HB   MET  22           HB2      MET  22   7.085  -4.790   3.537
  175   2HB   MET  22           HB1      MET  22   7.764  -5.831   2.295
  176   1HG   MET  22           HG2      MET  22  10.019  -5.349   3.130
  177   2HG   MET  22           HG1      MET  22   9.323  -4.337   4.394
  178   1HE   MET  22           HE2      MET  22   7.868  -7.686   2.975
  179   2HE   MET  22           HE1      MET  22   9.604  -7.993   2.960
  180   3HE   MET  22           HE3      MET  22   8.563  -8.877   4.075
  181    H    ASN  23           HN       ASN  23  10.303  -2.522   1.793
  182    HA   ASN  23           HA       ASN  23  12.322  -2.859   0.802
  183   1HB   ASN  23           HB2      ASN  23  11.149  -5.503  -0.081
  184   2HB   ASN  23           HB1      ASN  23  12.822  -5.020  -0.335
  185   1HD2  ASN  23          1HD2      ASN  23  13.129  -3.689   2.182
  186   2HD2  ASN  23          2HD2      ASN  23  13.181  -4.914   3.403
  187    H    GLY  24           HN       GLY  24   9.940  -4.246  -1.472
  188   1HA   GLY  24           HA1      GLY  24  11.078  -3.334  -3.824
  189   2HA   GLY  24           HA2      GLY  24  10.091  -2.005  -3.231
  190    H    LYS  25           HN       LYS  25   8.243  -4.052  -1.995
  191    HA   LYS  25           HA       LYS  25   6.642  -4.509  -4.373
  192   1HB   LYS  25           HB2      LYS  25   6.215  -6.890  -3.673
  193   2HB   LYS  25           HB1      LYS  25   7.836  -6.584  -4.279
  194   1HG   LYS  25           HG2      LYS  25   8.658  -6.464  -1.958
  195   2HG   LYS  25           HG1      LYS  25   7.031  -6.841  -1.387
  196   1HD   LYS  25           HD2      LYS  25   8.690  -8.613  -3.184
  197   2HD   LYS  25           HD1      LYS  25   8.512  -8.819  -1.439
  198   1HE   LYS  25           HE2      LYS  25   6.115  -9.148  -1.711
  199   2HE   LYS  25           HE1      LYS  25   6.268  -8.897  -3.450
  200   1HZ   LYS  25           HZ2      LYS  25   7.623 -11.073  -1.951
  201   2HZ   LYS  25           HZ1      LYS  25   6.162 -11.261  -2.789
  202   3HZ   LYS  25           HZ3      LYS  25   7.579 -10.870  -3.635
  203    H    CYS  26           HN       CYS  26   4.525  -4.156  -3.970
  204    HA   CYS  26           HA       CYS  26   3.708  -4.138  -1.143
  205   1HB   CYS  26           HB2      CYS  26   2.116  -2.292  -1.760
  206   2HB   CYS  26           HB1      CYS  26   3.817  -1.855  -1.763
  207    H    HIS  27           HN       HIS  27   1.659  -4.799  -0.635
  208    HA   HIS  27           HA       HIS  27   0.245  -6.253  -2.769
  209   1HB   HIS  27           HB2      HIS  27   0.238  -6.738   0.221
  210   2HB   HIS  27           HB1      HIS  27  -0.736  -7.628  -0.945
  211    HD1  HIS  27           HD1      HIS  27   2.571  -7.536   0.619
  212    HD2  HIS  27           HD2      HIS  27   0.856  -9.245  -2.766
  213    HE1  HIS  27           HE1      HIS  27   4.193  -9.300  -0.146
  214    HE2  HIS  27           HE2      HIS  27   3.228 -10.170  -2.311
  215    H    CYS  28           HN       CYS  28  -1.229  -4.871  -3.511
  216    HA   CYS  28           HA       CYS  28  -2.817  -3.356  -1.565
  217   1HB   CYS  28           HB2      CYS  28  -2.894  -3.014  -4.560
  218   2HB   CYS  28           HB1      CYS  28  -3.402  -1.883  -3.319
  219    H    THR  29           HN       THR  29  -4.544  -4.436  -0.911
  220    HA   THR  29           HA       THR  29  -5.937  -6.182  -2.818
  221    HB   THR  29           HB       THR  29  -6.976  -7.196  -0.757
  222    HG1  THR  29           HG1      THR  29  -6.140  -6.658   1.242
  223   1HG2  THR  29          2HG2      THR  29  -5.039  -8.220  -1.872
  224   2HG2  THR  29          1HG2      THR  29  -3.955  -7.258  -0.868
  225   3HG2  THR  29          3HG2      THR  29  -4.993  -8.481  -0.129
  226    HA   PRO  30           HA       PRO  30  -8.893  -2.788  -2.943
  227   1HB   PRO  30           HB2      PRO  30 -10.321  -4.771  -4.634
  228   2HB   PRO  30           HB1      PRO  30  -9.888  -3.094  -4.989
  229   1HG   PRO  30           HG2      PRO  30  -8.543  -5.054  -6.136
  230   2HG   PRO  30           HG1      PRO  30  -7.684  -3.638  -5.492
  231   1HD   PRO  30           HD2      PRO  30  -8.025  -6.359  -4.257
  232   2HD   PRO  30           HD1      PRO  30  -6.547  -5.382  -4.417
  233    H    LYS  31           HN       LYS  31 -11.250  -2.574  -2.606
  234    HA   LYS  31           HA       LYS  31 -12.020  -4.228  -0.359
  235   1HB   LYS  31           HB2      LYS  31 -12.322  -1.793  -0.253
  236   2HB   LYS  31           HB1      LYS  31 -13.445  -1.873  -1.605
  237   1HG   LYS  31           HG2      LYS  31 -15.065  -3.000  -0.335
  238   2HG   LYS  31           HG1      LYS  31 -13.911  -3.386   0.944
  239   1HD   LYS  31           HD2      LYS  31 -14.814  -0.600   0.228
  240   2HD   LYS  31           HD1      LYS  31 -15.487  -1.564   1.544
  241   1HE   LYS  31           HE2      LYS  31 -13.186  -1.711   2.509
  242   2HE   LYS  31           HE1      LYS  31 -12.653  -0.582   1.266
  243   1HZ   LYS  31           HZ1      LYS  31 -14.746  -0.024   3.301
  244   2HZ   LYS  31           HZ3      LYS  31 -13.146   0.538   3.356
  245   3HZ   LYS  31           HZ2      LYS  31 -14.183   1.065   2.127

  No H/Q in entry =         245
  Start of MODEL   12
    1    H1   CYS   1           HT3      CYS   1   7.633   0.962  -5.014
    2    H2   CYS   1           HT2      CYS   1   6.658   2.348  -4.935
    3    H3   CYS   1           HT1      CYS   1   8.350   2.490  -4.870
    4    HA   CYS   1           HA       CYS   1   7.479   2.781  -2.672
    5   1HB   CYS   1           HB2      CYS   1   6.110   1.137  -1.608
    6   2HB   CYS   1           HB1      CYS   1   5.364   1.516  -3.154
    7    H    LYS   2           HN       LYS   2   9.379   2.775  -1.793
    8    HA   LYS   2           HA       LYS   2  10.923   0.322  -1.554
    9   1HB   LYS   2           HB2      LYS   2  12.509   1.789  -0.315
   10   2HB   LYS   2           HB1      LYS   2  12.115   2.417  -1.910
   11   1HG   LYS   2           HG2      LYS   2  10.408   3.884  -0.796
   12   2HG   LYS   2           HG1      LYS   2  11.116   3.392   0.745
   13   1HD   LYS   2           HD2      LYS   2  13.261   4.290   0.080
   14   2HD   LYS   2           HD1      LYS   2  12.626   4.694  -1.516
   15   1HE   LYS   2           HE2      LYS   2  11.002   6.217  -0.449
   16   2HE   LYS   2           HE1      LYS   2  11.732   5.855   1.116
   17   1HZ   LYS   2           HZ2      LYS   2  13.858   6.698   0.204
   18   2HZ   LYS   2           HZ1      LYS   2  13.028   7.200  -1.189
   19   3HZ   LYS   2           HZ3      LYS   2  12.649   7.882   0.317
   20    H    ILE   3           HN       ILE   3   8.667   2.265   0.142
   21    HA   ILE   3           HA       ILE   3   8.766   0.499   2.476
   22    HB   ILE   3           HB       ILE   3   7.950   2.745   3.627
   23   1HG1  ILE   3          2HG1      ILE   3   9.913   3.672   1.539
   24   2HG1  ILE   3          1HG1      ILE   3   8.220   4.141   1.659
   25   1HG2  ILE   3          1HG2      ILE   3  10.824   1.924   3.247
   26   2HG2  ILE   3          3HG2      ILE   3  10.235   2.984   4.529
   27   3HG2  ILE   3          2HG2      ILE   3   9.708   1.302   4.462
   28   1HD1  ILE   3          3HD1      ILE   3   8.688   5.227   3.799
   29   2HD1  ILE   3          2HD1      ILE   3  10.385   4.773   3.649
   30   3HD1  ILE   3          1HD1      ILE   3   9.664   5.892   2.491
   31    H    SER   4           HN       SER   4   6.809   0.346   3.666
   32    HA   SER   4           HA       SER   4   4.651  -0.345   2.254
   33   1HB   SER   4           HB2      SER   4   5.043  -0.798   4.670
   34   2HB   SER   4           HB1      SER   4   4.460   0.828   5.029
   35    HG   SER   4           HG       SER   4   2.592  -0.153   5.110
   36    H    ARG   5           HN       ARG   5   5.223   2.920   3.420
   37    HA   ARG   5           HA       ARG   5   2.567   3.854   3.218
   38   1HB   ARG   5           HB2      ARG   5   3.580   6.108   3.373
   39   2HB   ARG   5           HB1      ARG   5   4.177   5.002   4.602
   40   1HG   ARG   5           HG2      ARG   5   6.230   4.677   3.372
   41   2HG   ARG   5           HG1      ARG   5   5.625   5.671   2.046
   42   1HD   ARG   5           HD2      ARG   5   6.040   6.650   4.866
   43   2HD   ARG   5           HD1      ARG   5   7.206   6.848   3.559
   44    HE   ARG   5           HE       ARG   5   5.468   8.183   2.407
   45   1HH1  ARG   5          1HH1      ARG   5   5.291   7.768   5.881
   46   2HH1  ARG   5          2HH1      ARG   5   4.371   9.226   6.132
   47   1HH2  ARG   5          1HH2      ARG   5   4.314  10.126   2.739
   48   2HH2  ARG   5          2HH2      ARG   5   3.851  10.581   4.353
   49    H    GLN   6           HN       GLN   6   5.027   3.387   0.881
   50    HA   GLN   6           HA       GLN   6   4.279   5.504  -0.892
   51   1HB   GLN   6           HB2      GLN   6   5.963   3.098  -1.525
   52   2HB   GLN   6           HB1      GLN   6   6.006   4.666  -2.311
   53   1HG   GLN   6           HG2      GLN   6   6.672   4.373   0.591
   54   2HG   GLN   6           HG1      GLN   6   7.867   4.027  -0.654
   55   1HE2  GLN   6          1HE2      GLN   6   8.728   5.670  -1.840
   56   2HE2  GLN   6          2HE2      GLN   6   8.552   7.336  -1.402
   57    H    CYS   7           HN       CYS   7   2.863   2.555  -0.219
   58    HA   CYS   7           HA       CYS   7   1.388   2.725  -2.760
   59   1HB   CYS   7           HB2      CYS   7   2.255   0.247  -1.287
   60   2HB   CYS   7           HB1      CYS   7   0.886   0.227  -2.390
   61    H    LEU   8           HN       LEU   8   1.318   3.027   0.544
   62    HA   LEU   8           HA       LEU   8  -1.217   1.979   1.197
   63   1HB   LEU   8           HB2      LEU   8   0.493   2.586   2.866
   64   2HB   LEU   8           HB1      LEU   8   0.279   4.278   2.458
   65    HG   LEU   8           HG       LEU   8  -2.066   4.152   3.258
   66   1HD1  LEU   8          3HD1      LEU   8  -2.436   1.763   2.898
   67   2HD1  LEU   8          2HD1      LEU   8  -1.278   1.388   4.174
   68   3HD1  LEU   8          1HD1      LEU   8  -2.782   2.222   4.564
   69   1HD2  LEU   8          1HD2      LEU   8   0.044   3.304   5.237
   70   2HD2  LEU   8          3HD2      LEU   8  -0.310   4.954   4.729
   71   3HD2  LEU   8          2HD2      LEU   8  -1.508   4.038   5.642
   72    H    LYS   9           HN       LYS   9  -0.145   5.175   0.143
   73    HA   LYS   9           HA       LYS   9  -2.842   6.201   0.070
   74   1HB   LYS   9           HB2      LYS   9  -0.855   7.694  -1.494
   75   2HB   LYS   9           HB1      LYS   9  -1.896   8.237  -0.186
   76   1HG   LYS   9           HG2      LYS   9   0.663   6.705   0.167
   77   2HG   LYS   9           HG1      LYS   9   0.494   8.457   0.338
   78   1HD   LYS   9           HD2      LYS   9  -1.206   6.562   1.933
   79   2HD   LYS   9           HD1      LYS   9   0.412   7.023   2.478
   80   1HE   LYS   9           HE2      LYS   9  -1.708   9.036   1.772
   81   2HE   LYS   9           HE1      LYS   9  -1.531   8.372   3.397
   82   1HZ   LYS   9           HZ2      LYS   9   0.608   9.811   1.910
   83   2HZ   LYS   9           HZ1      LYS   9  -0.368  10.494   3.114
   84   3HZ   LYS   9           HZ3      LYS   9   0.697   9.235   3.503
   85    HA   PRO  10           HA       PRO  10  -1.906   5.923  -4.762
   86   1HB   PRO  10           HB2      PRO  10  -0.025   3.613  -4.636
   87   2HB   PRO  10           HB1      PRO  10  -0.061   4.983  -5.744
   88   1HG   PRO  10           HG2      PRO  10   1.729   4.909  -3.816
   89   2HG   PRO  10           HG1      PRO  10   0.908   6.427  -4.224
   90   1HD   PRO  10           HD2      PRO  10   0.428   4.565  -1.939
   91   2HD   PRO  10           HD1      PRO  10   0.416   6.341  -1.969
   92    H    CYS  11           HN       CYS  11  -1.871   2.940  -2.764
   93    HA   CYS  11           HA       CYS  11  -3.792   1.780  -4.663
   94   1HB   CYS  11           HB2      CYS  11  -2.036   0.612  -2.542
   95   2HB   CYS  11           HB1      CYS  11  -3.445  -0.274  -3.098
   96    H    LYS  12           HN       LYS  12  -3.418   2.206  -1.125
   97    HA   LYS  12           HA       LYS  12  -5.979   0.988  -0.708
   98   1HB   LYS  12           HB2      LYS  12  -4.142   0.626   0.860
   99   2HB   LYS  12           HB1      LYS  12  -4.115   2.341   1.251
  100   1HG   LYS  12           HG2      LYS  12  -6.653   0.863   1.633
  101   2HG   LYS  12           HG1      LYS  12  -5.334   0.552   2.761
  102   1HD   LYS  12           HD2      LYS  12  -5.220   2.895   3.334
  103   2HD   LYS  12           HD1      LYS  12  -6.442   3.284   2.122
  104   1HE   LYS  12           HE2      LYS  12  -7.370   3.199   4.397
  105   2HE   LYS  12           HE1      LYS  12  -8.093   1.999   3.327
  106   1HZ   LYS  12           HZ1      LYS  12  -5.961   1.468   5.333
  107   2HZ   LYS  12           HZ3      LYS  12  -7.603   1.067   5.496
  108   3HZ   LYS  12           HZ2      LYS  12  -6.663   0.316   4.304
  109    H    ASP  13           HN       ASP  13  -4.696   4.265  -0.441
  110    HA   ASP  13           HA       ASP  13  -7.130   5.449   0.382
  111   1HB   ASP  13           HB2      ASP  13  -5.058   6.652   0.678
  112   2HB   ASP  13           HB1      ASP  13  -4.729   6.597  -1.050
  113    H    ALA  14           HN       ALA  14  -5.904   4.388  -2.678
  114    HA   ALA  14           HA       ALA  14  -7.913   5.886  -4.167
  115   1HB   ALA  14           HB2      ALA  14  -5.722   4.092  -5.191
  116   2HB   ALA  14           HB1      ALA  14  -6.759   5.136  -6.161
  117   3HB   ALA  14           HB3      ALA  14  -5.616   5.843  -5.018
  118    H    GLY  15           HN       GLY  15  -8.462   3.370  -2.408
  119   1HA   GLY  15           HA1      GLY  15 -10.026   2.049  -4.542
  120   2HA   GLY  15           HA2      GLY  15 -10.755   2.541  -3.028
  121    H    MET  16           HN       MET  16  -7.635   1.299  -2.506
  122    HA   MET  16           HA       MET  16  -8.619  -1.442  -2.297
  123   1HB   MET  16           HB2      MET  16  -5.837  -0.424  -1.684
  124   2HB   MET  16           HB1      MET  16  -6.334  -2.099  -1.842
  125   1HG   MET  16           HG2      MET  16  -6.333  -0.044  -4.035
  126   2HG   MET  16           HG1      MET  16  -5.134  -1.310  -3.799
  127   1HE   MET  16           HE2      MET  16  -5.460  -2.056  -6.315
  128   2HE   MET  16           HE1      MET  16  -7.015  -2.506  -7.016
  129   3HE   MET  16           HE3      MET  16  -6.702  -0.827  -6.569
  130    H    ARG  17           HN       ARG  17  -8.203  -2.684  -0.342
  131    HA   ARG  17           HA       ARG  17  -9.113  -1.300   2.007
  132   1HB   ARG  17           HB2      ARG  17  -9.879  -3.567   1.361
  133   2HB   ARG  17           HB1      ARG  17  -8.246  -4.163   1.609
  134   1HG   ARG  17           HG2      ARG  17  -8.392  -3.634   3.977
  135   2HG   ARG  17           HG1      ARG  17 -10.018  -2.985   3.739
  136   1HD   ARG  17           HD2      ARG  17 -10.135  -5.248   4.606
  137   2HD   ARG  17           HD1      ARG  17 -10.773  -5.189   2.963
  138    HE   ARG  17           HE       ARG  17  -8.048  -6.141   3.590
  139   1HH1  ARG  17          1HH1      ARG  17 -11.065  -6.426   1.839
  140   2HH1  ARG  17          2HH1      ARG  17 -10.594  -7.882   1.008
  141   1HH2  ARG  17          1HH2      ARG  17  -7.415  -8.026   2.508
  142   2HH2  ARG  17          2HH2      ARG  17  -8.509  -8.805   1.394
  143    H    PHE  18           HN       PHE  18  -6.222  -3.128   1.082
  144    HA   PHE  18           HA       PHE  18  -4.649  -1.433   2.879
  145   1HB   PHE  18           HB2      PHE  18  -4.450  -4.446   2.673
  146   2HB   PHE  18           HB1      PHE  18  -3.221  -3.434   3.421
  147    HD1  PHE  18           HD1      PHE  18  -3.936  -1.980   5.396
  148    HD2  PHE  18           HD2      PHE  18  -6.258  -5.217   3.907
  149    HE1  PHE  18           HE1      PHE  18  -5.141  -2.094   7.537
  150    HE2  PHE  18           HE2      PHE  18  -7.470  -5.337   6.045
  151    HZ   PHE  18           HZ       PHE  18  -6.913  -3.773   7.862
  152    H    GLY  19           HN       GLY  19  -2.496  -1.117   2.187
  153   1HA   GLY  19           HA1      GLY  19  -1.892  -0.488  -0.298
  154   2HA   GLY  19           HA2      GLY  19  -1.724  -2.238  -0.398
  155    H    LYS  20           HN       LYS  20  -0.422  -3.103   1.624
  156    HA   LYS  20           HA       LYS  20   1.574  -1.194   2.543
  157   1HB   LYS  20           HB2      LYS  20   1.074  -4.068   3.322
  158   2HB   LYS  20           HB1      LYS  20   2.300  -3.034   4.042
  159   1HG   LYS  20           HG2      LYS  20   0.432  -1.470   4.694
  160   2HG   LYS  20           HG1      LYS  20  -0.686  -2.743   4.199
  161   1HD   LYS  20           HD2      LYS  20   0.364  -4.274   5.802
  162   2HD   LYS  20           HD1      LYS  20   1.460  -2.986   6.309
  163   1HE   LYS  20           HE2      LYS  20  -0.537  -1.641   6.962
  164   2HE   LYS  20           HE1      LYS  20  -1.544  -3.044   6.595
  165   1HZ   LYS  20           HZ3      LYS  20  -0.062  -4.268   8.231
  166   2HZ   LYS  20           HZ2      LYS  20   0.473  -2.741   8.733
  167   3HZ   LYS  20           HZ1      LYS  20  -1.165  -3.152   8.878
  168    H    CYS  21           HN       CYS  21   3.628  -1.152   1.978
  169    HA   CYS  21           HA       CYS  21   4.561  -3.190   0.068
  170   1HB   CYS  21           HB2      CYS  21   4.394  -0.925  -0.893
  171   2HB   CYS  21           HB1      CYS  21   5.489  -0.327   0.350
  172    H    MET  22           HN       MET  22   6.500  -4.158   0.348
  173    HA   MET  22           HA       MET  22   8.272  -3.163   2.448
  174   1HB   MET  22           HB2      MET  22   6.879  -5.001   3.418
  175   2HB   MET  22           HB1      MET  22   7.505  -6.082   2.182
  176   1HG   MET  22           HG2      MET  22   8.680  -6.411   4.269
  177   2HG   MET  22           HG1      MET  22   9.769  -5.755   3.047
  178   1HE   MET  22           HE1      MET  22   7.009  -3.838   5.089
  179   2HE   MET  22           HE3      MET  22   7.659  -4.978   6.267
  180   3HE   MET  22           HE2      MET  22   7.940  -3.249   6.466
  181    H    ASN  23           HN       ASN  23  10.190  -2.816   1.507
  182    HA   ASN  23           HA       ASN  23  12.206  -3.399   0.619
  183   1HB   ASN  23           HB2      ASN  23  11.931  -5.698   1.279
  184   2HB   ASN  23           HB1      ASN  23  10.839  -6.004  -0.067
  185   1HD2  ASN  23          1HD2      ASN  23  11.661  -6.446  -2.055
  186   2HD2  ASN  23          2HD2      ASN  23  13.351  -6.658  -2.369
  187    H    GLY  24           HN       GLY  24   9.304  -3.676  -1.294
  188   1HA   GLY  24           HA1      GLY  24  10.719  -3.441  -3.802
  189   2HA   GLY  24           HA2      GLY  24   9.985  -1.943  -3.258
  190    H    LYS  25           HN       LYS  25   8.208  -4.672  -2.288
  191    HA   LYS  25           HA       LYS  25   6.367  -4.258  -4.546
  192   1HB   LYS  25           HB2      LYS  25   5.710  -6.590  -4.403
  193   2HB   LYS  25           HB1      LYS  25   7.451  -6.488  -4.607
  194   1HG   LYS  25           HG2      LYS  25   7.721  -6.830  -2.175
  195   2HG   LYS  25           HG1      LYS  25   5.974  -7.043  -2.044
  196   1HD   LYS  25           HD2      LYS  25   6.944  -9.218  -2.144
  197   2HD   LYS  25           HD1      LYS  25   6.188  -8.918  -3.710
  198   1HE   LYS  25           HE2      LYS  25   8.396  -8.233  -4.594
  199   2HE   LYS  25           HE1      LYS  25   9.116  -8.662  -3.044
  200   1HZ   LYS  25           HZ3      LYS  25   8.151 -10.949  -3.434
  201   2HZ   LYS  25           HZ2      LYS  25   7.863 -10.455  -5.031
  202   3HZ   LYS  25           HZ1      LYS  25   9.447 -10.494  -4.436
  203    H    CYS  26           HN       CYS  26   4.229  -3.924  -4.069
  204    HA   CYS  26           HA       CYS  26   3.544  -3.986  -1.209
  205   1HB   CYS  26           HB2      CYS  26   1.894  -2.126  -1.806
  206   2HB   CYS  26           HB1      CYS  26   3.595  -1.707  -1.694
  207    H    HIS  27           HN       HIS  27   1.738  -4.935  -0.589
  208    HA   HIS  27           HA       HIS  27   0.171  -6.357  -2.598
  209   1HB   HIS  27           HB2      HIS  27   0.172  -6.515   0.427
  210   2HB   HIS  27           HB1      HIS  27  -0.870  -7.472  -0.615
  211    HD1  HIS  27           HD1      HIS  27   2.277  -7.598   1.094
  212    HD2  HIS  27           HD2      HIS  27   0.764  -9.199  -2.436
  213    HE1  HIS  27           HE1      HIS  27   3.804  -9.513   0.506
  214    HE2  HIS  27           HE2      HIS  27   2.909 -10.433  -1.662
  215    H    CYS  28           HN       CYS  28  -1.284  -5.004  -3.492
  216    HA   CYS  28           HA       CYS  28  -2.894  -3.308  -1.726
  217   1HB   CYS  28           HB2      CYS  28  -3.093  -3.452  -4.738
  218   2HB   CYS  28           HB1      CYS  28  -3.600  -2.150  -3.681
  219    H    THR  29           HN       THR  29  -4.548  -4.327  -0.836
  220    HA   THR  29           HA       THR  29  -5.863  -6.504  -2.299
  221    HB   THR  29           HB       THR  29  -6.949  -6.747   0.121
  222    HG1  THR  29           HG1      THR  29  -4.391  -5.621   0.698
  223   1HG2  THR  29          3HG2      THR  29  -5.611  -8.451  -1.012
  224   2HG2  THR  29          2HG2      THR  29  -4.132  -7.609  -0.549
  225   3HG2  THR  29          1HG2      THR  29  -5.162  -8.328   0.688
  226    HA   PRO  30           HA       PRO  30  -8.820  -3.311  -3.310
  227   1HB   PRO  30           HB2      PRO  30 -10.239  -5.693  -4.401
  228   2HB   PRO  30           HB1      PRO  30  -9.863  -4.149  -5.176
  229   1HG   PRO  30           HG2      PRO  30  -8.440  -6.262  -5.811
  230   2HG   PRO  30           HG1      PRO  30  -7.622  -4.716  -5.491
  231   1HD   PRO  30           HD2      PRO  30  -7.940  -7.082  -3.664
  232   2HD   PRO  30           HD1      PRO  30  -6.475  -6.138  -4.024
  233    H    LYS  31           HN       LYS  31 -10.762  -2.594  -2.671
  234    HA   LYS  31           HA       LYS  31 -12.149  -4.077  -0.576
  235   1HB   LYS  31           HB2      LYS  31 -12.194  -1.216  -1.491
  236   2HB   LYS  31           HB1      LYS  31 -13.531  -1.855  -0.546
  237   1HG   LYS  31           HG2      LYS  31 -11.999  -2.426   1.259
  238   2HG   LYS  31           HG1      LYS  31 -10.641  -1.828   0.302
  239   1HD   LYS  31           HD2      LYS  31 -11.470   0.406   0.383
  240   2HD   LYS  31           HD1      LYS  31 -13.001  -0.126   1.081
  241   1HE   LYS  31           HE2      LYS  31 -11.882  -0.803   3.114
  242   2HE   LYS  31           HE1      LYS  31 -10.313  -0.414   2.415
  243   1HZ   LYS  31           HZ1      LYS  31 -12.473   1.573   2.880
  244   2HZ   LYS  31           HZ3      LYS  31 -11.179   1.305   3.939
  245   3HZ   LYS  31           HZ2      LYS  31 -10.885   1.894   2.377

  No H/Q in entry =         245
  Start of MODEL   13
    1    H1   CYS   1           HT1      CYS   1   7.512   1.130  -5.086
    2    H2   CYS   1           HT3      CYS   1   6.785   2.646  -4.850
    3    H3   CYS   1           HT2      CYS   1   8.476   2.515  -4.908
    4    HA   CYS   1           HA       CYS   1   7.802   2.790  -2.635
    5   1HB   CYS   1           HB2      CYS   1   6.250   1.358  -1.562
    6   2HB   CYS   1           HB1      CYS   1   5.490   1.801  -3.086
    7    H    LYS   2           HN       LYS   2   9.486   2.254  -1.489
    8    HA   LYS   2           HA       LYS   2  10.439  -0.536  -1.598
    9   1HB   LYS   2           HB2      LYS   2  12.583   0.358  -0.709
   10   2HB   LYS   2           HB1      LYS   2  12.179   1.022  -2.288
   11   1HG   LYS   2           HG2      LYS   2  11.102   2.938  -0.845
   12   2HG   LYS   2           HG1      LYS   2  12.240   2.348   0.371
   13   1HD   LYS   2           HD2      LYS   2  13.226   4.150  -0.941
   14   2HD   LYS   2           HD1      LYS   2  14.078   2.628  -1.222
   15   1HE   LYS   2           HE2      LYS   2  12.866   2.297  -3.296
   16   2HE   LYS   2           HE1      LYS   2  11.920   3.761  -3.007
   17   1HZ   LYS   2           HZ2      LYS   2  13.969   5.049  -3.148
   18   2HZ   LYS   2           HZ1      LYS   2  14.864   3.638  -3.432
   19   3HZ   LYS   2           HZ3      LYS   2  13.720   4.161  -4.571
   20    H    ILE   3           HN       ILE   3   8.820   1.832   0.037
   21    HA   ILE   3           HA       ILE   3   8.976   0.387   2.580
   22    HB   ILE   3           HB       ILE   3   8.415   2.670   3.588
   23   1HG1  ILE   3          2HG1      ILE   3   9.717   3.568   1.024
   24   2HG1  ILE   3          1HG1      ILE   3   8.043   3.856   1.482
   25   1HG2  ILE   3          2HG2      ILE   3  10.478   1.451   4.016
   26   2HG2  ILE   3          1HG2      ILE   3  11.183   2.123   2.548
   27   3HG2  ILE   3          3HG2      ILE   3  10.787   3.184   3.899
   28   1HD1  ILE   3          1HD1      ILE   3   8.815   5.211   3.373
   29   2HD1  ILE   3          3HD1      ILE   3  10.484   4.949   2.862
   30   3HD1  ILE   3          2HD1      ILE   3   9.372   5.840   1.822
   31    H    SER   4           HN       SER   4   7.090   0.172   3.703
   32    HA   SER   4           HA       SER   4   4.874  -0.531   2.406
   33   1HB   SER   4           HB2      SER   4   4.869   0.716   5.148
   34   2HB   SER   4           HB1      SER   4   3.671  -0.406   4.512
   35    HG   SER   4           HG       SER   4   5.951  -1.609   4.157
   36    H    ARG   5           HN       ARG   5   5.484   2.783   3.464
   37    HA   ARG   5           HA       ARG   5   2.760   3.562   3.392
   38   1HB   ARG   5           HB2      ARG   5   3.510   5.749   3.925
   39   2HB   ARG   5           HB1      ARG   5   4.555   4.627   4.783
   40   1HG   ARG   5           HG2      ARG   5   6.225   4.920   2.934
   41   2HG   ARG   5           HG1      ARG   5   5.197   6.210   2.305
   42   1HD   ARG   5           HD2      ARG   5   6.683   6.102   4.914
   43   2HD   ARG   5           HD1      ARG   5   6.827   7.289   3.618
   44    HE   ARG   5           HE       ARG   5   4.235   7.139   4.926
   45   1HH1  ARG   5          1HH1      ARG   5   7.309   8.793   4.629
   46   2HH1  ARG   5          2HH1      ARG   5   6.809  10.155   5.591
   47   1HH2  ARG   5          1HH2      ARG   5   3.565   8.922   6.148
   48   2HH2  ARG   5          2HH2      ARG   5   4.664  10.235   6.448
   49    H    GLN   6           HN       GLN   6   5.176   3.398   0.920
   50    HA   GLN   6           HA       GLN   6   4.165   5.539  -0.674
   51   1HB   GLN   6           HB2      GLN   6   6.026   3.282  -1.420
   52   2HB   GLN   6           HB1      GLN   6   5.669   4.664  -2.441
   53   1HG   GLN   6           HG2      GLN   6   6.611   6.131  -0.715
   54   2HG   GLN   6           HG1      GLN   6   6.997   4.703   0.246
   55   1HE2  GLN   6          1HE2      GLN   6   7.782   6.542  -2.585
   56   2HE2  GLN   6          2HE2      GLN   6   9.288   5.755  -2.928
   57    H    CYS   7           HN       CYS   7   3.082   2.358  -0.203
   58    HA   CYS   7           HA       CYS   7   1.314   2.671  -2.548
   59   1HB   CYS   7           HB2      CYS   7   2.336   0.163  -1.213
   60   2HB   CYS   7           HB1      CYS   7   0.916   0.150  -2.250
   61    H    LEU   8           HN       LEU   8   1.542   2.717   0.796
   62    HA   LEU   8           HA       LEU   8  -0.824   1.435   1.592
   63   1HB   LEU   8           HB2      LEU   8   0.955   1.953   3.155
   64   2HB   LEU   8           HB1      LEU   8   0.723   3.672   2.894
   65    HG   LEU   8           HG       LEU   8  -1.542   3.488   3.892
   66   1HD1  LEU   8          1HD1      LEU   8  -0.683   0.654   4.453
   67   2HD1  LEU   8          3HD1      LEU   8  -2.077   1.449   5.178
   68   3HD1  LEU   8          2HD1      LEU   8  -2.031   1.172   3.437
   69   1HD2  LEU   8          2HD2      LEU   8   0.736   2.520   5.617
   70   2HD2  LEU   8          1HD2      LEU   8   0.336   4.200   5.255
   71   3HD2  LEU   8          3HD2      LEU   8  -0.776   3.214   6.204
   72    H    LYS   9           HN       LYS   9  -0.186   4.939   1.206
   73    HA   LYS   9           HA       LYS   9  -2.969   5.474   1.587
   74   1HB   LYS   9           HB2      LYS   9  -2.318   7.555   2.085
   75   2HB   LYS   9           HB1      LYS   9  -0.752   6.820   2.250
   76   1HG   LYS   9           HG2      LYS   9  -0.220   8.644   1.031
   77   2HG   LYS   9           HG1      LYS   9  -0.570   7.514  -0.274
   78   1HD   LYS   9           HD2      LYS   9  -2.680   8.417  -0.659
   79   2HD   LYS   9           HD1      LYS   9  -2.686   9.283   0.876
   80   1HE   LYS   9           HE2      LYS   9  -2.326  10.869  -0.891
   81   2HE   LYS   9           HE1      LYS   9  -0.830  10.698   0.023
   82   1HZ   LYS   9           HZ1      LYS   9  -1.412   9.330  -2.548
   83   2HZ   LYS   9           HZ3      LYS   9  -0.486  10.739  -2.392
   84   3HZ   LYS   9           HZ2      LYS   9   0.057   9.291  -1.697
   85    HA   PRO  10           HA       PRO  10  -2.439   6.641  -3.178
   86   1HB   PRO  10           HB2      PRO  10  -0.561   4.414  -3.823
   87   2HB   PRO  10           HB1      PRO  10  -0.665   6.040  -4.514
   88   1HG   PRO  10           HG2      PRO  10   1.274   5.477  -2.822
   89   2HG   PRO  10           HG1      PRO  10   0.404   7.020  -2.674
   90   1HD   PRO  10           HD2      PRO  10   0.046   4.488  -1.097
   91   2HD   PRO  10           HD1      PRO  10   0.153   6.159  -0.501
   92    H    CYS  11           HN       CYS  11  -2.030   3.202  -2.200
   93    HA   CYS  11           HA       CYS  11  -3.762   2.248  -4.232
   94   1HB   CYS  11           HB2      CYS  11  -2.544   1.008  -1.799
   95   2HB   CYS  11           HB1      CYS  11  -3.834   0.162  -2.647
   96    H    LYS  12           HN       LYS  12  -4.322   2.945  -0.776
   97    HA   LYS  12           HA       LYS  12  -6.959   1.907  -0.800
   98   1HB   LYS  12           HB2      LYS  12  -5.812   3.963   1.090
   99   2HB   LYS  12           HB1      LYS  12  -7.273   3.013   1.335
  100   1HG   LYS  12           HG2      LYS  12  -6.011   0.988   1.500
  101   2HG   LYS  12           HG1      LYS  12  -4.523   1.827   1.063
  102   1HD   LYS  12           HD2      LYS  12  -4.641   1.446   3.472
  103   2HD   LYS  12           HD1      LYS  12  -4.668   3.168   3.097
  104   1HE   LYS  12           HE2      LYS  12  -7.124   3.147   3.334
  105   2HE   LYS  12           HE1      LYS  12  -7.043   1.446   3.792
  106   1HZ   LYS  12           HZ3      LYS  12  -5.610   2.117   5.673
  107   2HZ   LYS  12           HZ2      LYS  12  -5.864   3.743   5.264
  108   3HZ   LYS  12           HZ1      LYS  12  -7.167   2.781   5.758
  109    H    ASP  13           HN       ASP  13  -5.615   5.041  -1.537
  110    HA   ASP  13           HA       ASP  13  -8.064   6.461  -1.697
  111   1HB   ASP  13           HB2      ASP  13  -6.034   7.717  -1.547
  112   2HB   ASP  13           HB1      ASP  13  -5.354   6.911  -2.957
  113    H    ALA  14           HN       ALA  14  -6.435   4.261  -3.804
  114    HA   ALA  14           HA       ALA  14  -7.941   5.032  -6.154
  115   1HB   ALA  14           HB1      ALA  14  -6.006   2.755  -5.757
  116   2HB   ALA  14           HB2      ALA  14  -5.606   4.355  -6.381
  117   3HB   ALA  14           HB3      ALA  14  -6.675   3.295  -7.297
  118    H    GLY  15           HN       GLY  15  -8.370   2.900  -3.525
  119   1HA   GLY  15           HA1      GLY  15 -10.354   1.355  -5.073
  120   2HA   GLY  15           HA2      GLY  15 -10.789   2.114  -3.550
  121    H    MET  16           HN       MET  16  -7.693   1.160  -3.115
  122    HA   MET  16           HA       MET  16  -8.259  -1.621  -2.472
  123   1HB   MET  16           HB2      MET  16  -5.744  -0.017  -1.948
  124   2HB   MET  16           HB1      MET  16  -5.911  -1.764  -1.871
  125   1HG   MET  16           HG2      MET  16  -6.261  -0.124  -4.367
  126   2HG   MET  16           HG1      MET  16  -4.771  -0.944  -3.905
  127   1HE   MET  16           HE1      MET  16  -6.138  -1.383  -6.717
  128   2HE   MET  16           HE3      MET  16  -4.675  -2.228  -6.208
  129   3HE   MET  16           HE2      MET  16  -6.033  -3.136  -6.873
  130    H    ARG  17           HN       ARG  17  -8.218  -2.460  -0.368
  131    HA   ARG  17           HA       ARG  17  -9.014  -0.611   1.710
  132   1HB   ARG  17           HB2      ARG  17 -10.162  -2.715   1.452
  133   2HB   ARG  17           HB1      ARG  17  -8.672  -3.611   1.688
  134   1HG   ARG  17           HG2      ARG  17  -8.556  -2.777   3.994
  135   2HG   ARG  17           HG1      ARG  17 -10.075  -1.912   3.750
  136   1HD   ARG  17           HD2      ARG  17 -10.371  -4.084   4.900
  137   2HD   ARG  17           HD1      ARG  17 -11.253  -3.983   3.377
  138    HE   ARG  17           HE       ARG  17  -8.767  -5.510   3.819
  139   1HH1  ARG  17          1HH1      ARG  17 -11.703  -4.898   2.006
  140   2HH1  ARG  17          2HH1      ARG  17 -11.465  -6.229   0.925
  141   1HH2  ARG  17          1HH2      ARG  17  -8.462  -7.279   2.422
  142   2HH2  ARG  17          2HH2      ARG  17  -9.617  -7.595   1.157
  143    H    PHE  18           HN       PHE  18  -6.251  -2.585   0.884
  144    HA   PHE  18           HA       PHE  18  -4.656  -1.072   2.820
  145   1HB   PHE  18           HB2      PHE  18  -4.707  -4.079   2.563
  146   2HB   PHE  18           HB1      PHE  18  -3.350  -3.219   3.275
  147    HD1  PHE  18           HD1      PHE  18  -3.722  -1.867   5.346
  148    HD2  PHE  18           HD2      PHE  18  -6.652  -4.525   3.791
  149    HE1  PHE  18           HE1      PHE  18  -4.865  -1.869   7.520
  150    HE2  PHE  18           HE2      PHE  18  -7.804  -4.537   5.962
  151    HZ   PHE  18           HZ       PHE  18  -6.884  -3.232   7.849
  152    H    GLY  19           HN       GLY  19  -2.237  -1.528   2.369
  153   1HA   GLY  19           HA1      GLY  19  -1.583  -0.673  -0.175
  154   2HA   GLY  19           HA2      GLY  19  -1.479  -2.426  -0.222
  155    H    LYS  20           HN       LYS  20  -0.259  -3.309   1.836
  156    HA   LYS  20           HA       LYS  20   1.774  -1.528   2.866
  157   1HB   LYS  20           HB2      LYS  20   0.668  -3.349   4.215
  158   2HB   LYS  20           HB1      LYS  20   1.536  -4.519   3.232
  159   1HG   LYS  20           HG2      LYS  20   3.664  -3.358   3.991
  160   2HG   LYS  20           HG1      LYS  20   2.658  -2.536   5.184
  161   1HD   LYS  20           HD2      LYS  20   1.912  -4.741   6.018
  162   2HD   LYS  20           HD1      LYS  20   3.020  -5.514   4.882
  163   1HE   LYS  20           HE2      LYS  20   4.122  -5.447   6.987
  164   2HE   LYS  20           HE1      LYS  20   4.880  -4.225   5.968
  165   1HZ   LYS  20           HZ1      LYS  20   2.813  -3.708   8.037
  166   2HZ   LYS  20           HZ3      LYS  20   4.472  -3.404   8.205
  167   3HZ   LYS  20           HZ2      LYS  20   3.559  -2.531   7.075
  168    H    CYS  21           HN       CYS  21   3.824  -1.336   2.151
  169    HA   CYS  21           HA       CYS  21   4.721  -3.201   0.053
  170   1HB   CYS  21           HB2      CYS  21   4.440  -0.859  -0.690
  171   2HB   CYS  21           HB1      CYS  21   5.607  -0.351   0.526
  172    H    MET  22           HN       MET  22   6.701  -4.140   0.165
  173    HA   MET  22           HA       MET  22   8.553  -3.269   2.259
  174   1HB   MET  22           HB2      MET  22   7.127  -5.217   3.073
  175   2HB   MET  22           HB1      MET  22   7.899  -6.195   1.835
  176   1HG   MET  22           HG2      MET  22   9.457  -4.729   3.945
  177   2HG   MET  22           HG1      MET  22   8.830  -6.357   4.186
  178   1HE   MET  22           HE3      MET  22  11.300  -7.160   4.761
  179   2HE   MET  22           HE2      MET  22  12.685  -6.914   3.698
  180   3HE   MET  22           HE1      MET  22  11.918  -5.532   4.480
  181    H    ASN  23           HN       ASN  23  10.445  -2.909   1.335
  182    HA   ASN  23           HA       ASN  23  12.380  -3.229   0.189
  183   1HB   ASN  23           HB2      ASN  23  11.880  -5.711   0.592
  184   2HB   ASN  23           HB1      ASN  23  11.261  -5.736  -1.051
  185   1HD2  ASN  23          1HD2      ASN  23  13.329  -3.771  -1.955
  186   2HD2  ASN  23          2HD2      ASN  23  14.793  -4.689  -2.064
  187    H    GLY  24           HN       GLY  24   9.508  -4.056  -1.738
  188   1HA   GLY  24           HA1      GLY  24  10.558  -3.451  -4.249
  189   2HA   GLY  24           HA2      GLY  24   9.948  -1.948  -3.575
  190    H    LYS  25           HN       LYS  25   8.406  -4.953  -2.770
  191    HA   LYS  25           HA       LYS  25   6.291  -4.401  -4.721
  192   1HB   LYS  25           HB2      LYS  25   5.550  -6.707  -4.309
  193   2HB   LYS  25           HB1      LYS  25   7.223  -6.648  -4.840
  194   1HG   LYS  25           HG2      LYS  25   8.023  -7.075  -2.636
  195   2HG   LYS  25           HG1      LYS  25   6.405  -6.883  -1.955
  196   1HD   LYS  25           HD2      LYS  25   5.663  -8.842  -3.287
  197   2HD   LYS  25           HD1      LYS  25   7.328  -9.057  -3.829
  198   1HE   LYS  25           HE2      LYS  25   8.069  -9.505  -1.605
  199   2HE   LYS  25           HE1      LYS  25   6.500  -9.056  -0.935
  200   1HZ   LYS  25           HZ1      LYS  25   5.517 -10.944  -2.083
  201   2HZ   LYS  25           HZ3      LYS  25   7.029 -11.382  -2.713
  202   3HZ   LYS  25           HZ2      LYS  25   6.754 -11.452  -1.040
  203    H    CYS  26           HN       CYS  26   4.233  -3.973  -4.096
  204    HA   CYS  26           HA       CYS  26   3.665  -4.045  -1.214
  205   1HB   CYS  26           HB2      CYS  26   2.033  -2.146  -1.722
  206   2HB   CYS  26           HB1      CYS  26   3.742  -1.747  -1.694
  207    H    HIS  27           HN       HIS  27   1.959  -5.182  -0.603
  208    HA   HIS  27           HA       HIS  27   0.234  -6.264  -2.677
  209   1HB   HIS  27           HB2      HIS  27  -0.735  -7.681  -0.849
  210   2HB   HIS  27           HB1      HIS  27   0.971  -7.943  -1.150
  211    HD1  HIS  27           HD1      HIS  27   2.543  -7.679   0.789
  212    HD2  HIS  27           HD2      HIS  27  -1.306  -6.348   1.644
  213    HE1  HIS  27           HE1      HIS  27   2.512  -7.227   3.265
  214    HE2  HIS  27           HE2      HIS  27   0.117  -6.617   3.789
  215    H    CYS  28           HN       CYS  28  -1.192  -4.821  -3.312
  216    HA   CYS  28           HA       CYS  28  -2.717  -3.357  -1.292
  217   1HB   CYS  28           HB2      CYS  28  -2.689  -3.056  -4.302
  218   2HB   CYS  28           HB1      CYS  28  -3.588  -2.037  -3.184
  219    H    THR  29           HN       THR  29  -4.363  -4.427  -0.519
  220    HA   THR  29           HA       THR  29  -5.739  -6.399  -2.161
  221    HB   THR  29           HB       THR  29  -6.932  -6.816   0.111
  222    HG1  THR  29           HG1      THR  29  -4.817  -6.066   1.573
  223   1HG2  THR  29          2HG2      THR  29  -3.990  -7.397  -0.265
  224   2HG2  THR  29          1HG2      THR  29  -5.053  -8.230   0.871
  225   3HG2  THR  29          3HG2      THR  29  -5.334  -8.368  -0.865
  226    HA   PRO  30           HA       PRO  30  -8.687  -3.196  -3.197
  227   1HB   PRO  30           HB2      PRO  30 -10.080  -5.628  -4.234
  228   2HB   PRO  30           HB1      PRO  30  -9.779  -4.074  -5.030
  229   1HG   PRO  30           HG2      PRO  30  -8.288  -6.125  -5.701
  230   2HG   PRO  30           HG1      PRO  30  -7.516  -4.553  -5.374
  231   1HD   PRO  30           HD2      PRO  30  -7.726  -6.950  -3.567
  232   2HD   PRO  30           HD1      PRO  30  -6.303  -5.952  -3.946
  233    H    LYS  31           HN       LYS  31 -10.569  -2.497  -2.422
  234    HA   LYS  31           HA       LYS  31 -11.333  -3.493   0.114
  235   1HB   LYS  31           HB2      LYS  31 -11.396  -1.103  -0.558
  236   2HB   LYS  31           HB1      LYS  31 -12.735  -1.465  -1.634
  237   1HG   LYS  31           HG2      LYS  31 -14.174  -1.966   0.186
  238   2HG   LYS  31           HG1      LYS  31 -12.829  -1.928   1.333
  239   1HD   LYS  31           HD2      LYS  31 -13.756   0.436  -0.301
  240   2HD   LYS  31           HD1      LYS  31 -14.233   0.129   1.373
  241   1HE   LYS  31           HE2      LYS  31 -11.946   0.312   2.109
  242   2HE   LYS  31           HE1      LYS  31 -11.377   0.428   0.445
  243   1HZ   LYS  31           HZ3      LYS  31 -13.224   2.415   1.639
  244   2HZ   LYS  31           HZ2      LYS  31 -11.537   2.573   1.716
  245   3HZ   LYS  31           HZ1      LYS  31 -12.317   2.550   0.212

  No H/Q in entry =         245
  Start of MODEL   14
    1    H1   CYS   1           HT2      CYS   1   7.728   1.912  -5.832
    2    H2   CYS   1           HT1      CYS   1   6.967   0.424  -5.539
    3    H3   CYS   1           HT3      CYS   1   6.034   1.823  -5.744
    4    HA   CYS   1           HA       CYS   1   6.947   2.772  -3.732
    5   1HB   CYS   1           HB2      CYS   1   5.744   1.430  -2.176
    6   2HB   CYS   1           HB1      CYS   1   4.896   1.298  -3.711
    7    H    LYS   2           HN       LYS   2   7.809   1.910  -1.532
    8    HA   LYS   2           HA       LYS   2   9.997   0.037  -1.769
    9   1HB   LYS   2           HB2      LYS   2  11.721   1.628  -1.100
   10   2HB   LYS   2           HB1      LYS   2  10.960   2.153  -2.596
   11   1HG   LYS   2           HG2      LYS   2   9.599   3.757  -1.330
   12   2HG   LYS   2           HG1      LYS   2  10.435   3.264   0.147
   13   1HD   LYS   2           HD2      LYS   2  11.406   5.307  -0.764
   14   2HD   LYS   2           HD1      LYS   2  12.565   3.977  -0.818
   15   1HE   LYS   2           HE2      LYS   2  11.978   3.612  -3.195
   16   2HE   LYS   2           HE1      LYS   2  10.910   5.014  -3.121
   17   1HZ   LYS   2           HZ3      LYS   2  13.840   5.054  -2.646
   18   2HZ   LYS   2           HZ2      LYS   2  13.070   5.565  -4.063
   19   3HZ   LYS   2           HZ1      LYS   2  12.809   6.401  -2.611
   20    H    ILE   3           HN       ILE   3   7.939   2.120   0.050
   21    HA   ILE   3           HA       ILE   3   8.557   0.676   2.545
   22    HB   ILE   3           HB       ILE   3   7.831   3.581   2.266
   23   1HG1  ILE   3          2HG1      ILE   3  10.122   3.141   1.499
   24   2HG1  ILE   3          1HG1      ILE   3  10.085   4.138   2.949
   25   1HG2  ILE   3          2HG2      ILE   3   6.996   2.630   4.339
   26   2HG2  ILE   3          1HG2      ILE   3   8.609   2.032   4.725
   27   3HG2  ILE   3          3HG2      ILE   3   8.305   3.768   4.663
   28   1HD1  ILE   3          1HD1      ILE   3  10.588   2.143   4.292
   29   2HD1  ILE   3          3HD1      ILE   3  10.704   1.202   2.806
   30   3HD1  ILE   3          2HD1      ILE   3  11.846   2.511   3.114
   31    H    SER   4           HN       SER   4   6.690   0.459   3.961
   32    HA   SER   4           HA       SER   4   4.408  -0.433   2.862
   33   1HB   SER   4           HB2      SER   4   4.952  -0.714   5.214
   34   2HB   SER   4           HB1      SER   4   4.617   0.990   5.517
   35    HG   SER   4           HG       SER   4   2.789  -0.090   6.073
   36    H    ARG   5           HN       ARG   5   5.038   2.928   3.612
   37    HA   ARG   5           HA       ARG   5   2.309   3.773   3.349
   38   1HB   ARG   5           HB2      ARG   5   3.106   5.965   3.794
   39   2HB   ARG   5           HB1      ARG   5   4.057   4.879   4.798
   40   1HG   ARG   5           HG2      ARG   5   5.891   4.988   3.170
   41   2HG   ARG   5           HG1      ARG   5   4.932   6.101   2.189
   42   1HD   ARG   5           HD2      ARG   5   4.804   7.564   4.245
   43   2HD   ARG   5           HD1      ARG   5   6.057   6.534   4.932
   44    HE   ARG   5           HE       ARG   5   6.848   7.469   2.380
   45   1HH1  ARG   5          1HH1      ARG   5   6.426   8.496   5.684
   46   2HH1  ARG   5          2HH1      ARG   5   7.569   9.797   5.586
   47   1HH2  ARG   5          1HH2      ARG   5   8.358   9.196   2.207
   48   2HH2  ARG   5          2HH2      ARG   5   8.683  10.189   3.601
   49    H    GLN   6           HN       GLN   6   4.974   3.326   1.268
   50    HA   GLN   6           HA       GLN   6   4.410   5.336  -0.660
   51   1HB   GLN   6           HB2      GLN   6   6.093   2.842  -0.808
   52   2HB   GLN   6           HB1      GLN   6   6.150   4.163  -1.969
   53   1HG   GLN   6           HG2      GLN   6   6.656   4.608   0.947
   54   2HG   GLN   6           HG1      GLN   6   7.930   4.034  -0.123
   55   1HE2  GLN   6          1HE2      GLN   6   7.090   5.536  -2.404
   56   2HE2  GLN   6          2HE2      GLN   6   7.506   7.183  -2.083
   57    H    CYS   7           HN       CYS   7   2.972   2.313  -0.049
   58    HA   CYS   7           HA       CYS   7   1.556   2.560  -2.624
   59   1HB   CYS   7           HB2      CYS   7   2.551   0.127  -1.237
   60   2HB   CYS   7           HB1      CYS   7   0.969   0.017  -1.997
   61    H    LEU   8           HN       LEU   8   1.368   2.900   0.666
   62    HA   LEU   8           HA       LEU   8  -1.142   1.800   1.275
   63   1HB   LEU   8           HB2      LEU   8   0.677   2.684   2.852
   64   2HB   LEU   8           HB1      LEU   8  -0.013   4.271   2.570
   65    HG   LEU   8           HG       LEU   8  -1.671   1.984   3.619
   66   1HD1  LEU   8          1HD1      LEU   8  -0.089   4.004   5.200
   67   2HD1  LEU   8          3HD1      LEU   8  -1.275   2.882   5.865
   68   3HD1  LEU   8          2HD1      LEU   8   0.207   2.267   5.131
   69   1HD2  LEU   8          1HD2      LEU   8  -2.891   3.909   2.738
   70   2HD2  LEU   8          3HD2      LEU   8  -3.073   3.781   4.488
   71   3HD2  LEU   8          2HD2      LEU   8  -1.975   4.980   3.801
   72    H    LYS   9           HN       LYS   9  -0.211   5.079   0.221
   73    HA   LYS   9           HA       LYS   9  -2.980   5.822  -0.005
   74   1HB   LYS   9           HB2      LYS   9  -1.027   7.448  -1.479
   75   2HB   LYS   9           HB1      LYS   9  -2.316   7.938  -0.393
   76   1HG   LYS   9           HG2      LYS   9  -0.808   7.024   1.466
   77   2HG   LYS   9           HG1      LYS   9   0.459   7.101   0.229
   78   1HD   LYS   9           HD2      LYS   9   0.026   9.457  -0.110
   79   2HD   LYS   9           HD1      LYS   9  -1.326   9.390   1.025
   80   1HE   LYS   9           HE2      LYS   9   0.725  10.371   2.005
   81   2HE   LYS   9           HE1      LYS   9   0.171   8.927   2.854
   82   1HZ   LYS   9           HZ2      LYS   9   2.289   8.869   0.778
   83   2HZ   LYS   9           HZ1      LYS   9   2.618   9.060   2.431
   84   3HZ   LYS   9           HZ3      LYS   9   1.874   7.645   1.872
   85    HA   PRO  10           HA       PRO  10  -1.791   5.731  -4.760
   86   1HB   PRO  10           HB2      PRO  10   0.264   3.590  -4.704
   87   2HB   PRO  10           HB1      PRO  10   0.189   5.067  -5.661
   88   1HG   PRO  10           HG2      PRO  10   1.862   4.870  -3.616
   89   2HG   PRO  10           HG1      PRO  10   1.022   6.388  -3.986
   90   1HD   PRO  10           HD2      PRO  10   0.461   4.377  -1.854
   91   2HD   PRO  10           HD1      PRO  10   0.359   6.149  -1.796
   92    H    CYS  11           HN       CYS  11  -1.846   2.868  -2.703
   93    HA   CYS  11           HA       CYS  11  -3.620   1.611  -4.685
   94   1HB   CYS  11           HB2      CYS  11  -2.015   0.495  -2.406
   95   2HB   CYS  11           HB1      CYS  11  -3.374  -0.394  -3.071
   96    H    LYS  12           HN       LYS  12  -3.393   2.192  -1.159
   97    HA   LYS  12           HA       LYS  12  -6.032   1.086  -0.846
   98   1HB   LYS  12           HB2      LYS  12  -4.255   0.598   0.774
   99   2HB   LYS  12           HB1      LYS  12  -4.173   2.300   1.205
  100   1HG   LYS  12           HG2      LYS  12  -6.780   0.914   1.447
  101   2HG   LYS  12           HG1      LYS  12  -5.528   0.560   2.637
  102   1HD   LYS  12           HD2      LYS  12  -5.343   2.929   3.177
  103   2HD   LYS  12           HD1      LYS  12  -6.549   3.317   1.949
  104   1HE   LYS  12           HE2      LYS  12  -7.451   3.253   4.268
  105   2HE   LYS  12           HE1      LYS  12  -8.248   2.144   3.153
  106   1HZ   LYS  12           HZ2      LYS  12  -6.126   1.381   5.093
  107   2HZ   LYS  12           HZ1      LYS  12  -7.786   1.119   5.306
  108   3HZ   LYS  12           HZ3      LYS  12  -6.963   0.328   4.056
  109    H    ASP  13           HN       ASP  13  -4.553   4.283  -0.327
  110    HA   ASP  13           HA       ASP  13  -7.031   5.537   0.317
  111   1HB   ASP  13           HB2      ASP  13  -4.838   6.513   0.972
  112   2HB   ASP  13           HB1      ASP  13  -4.480   6.820  -0.721
  113    H    ALA  14           HN       ALA  14  -5.762   4.334  -2.537
  114    HA   ALA  14           HA       ALA  14  -7.272   6.135  -4.261
  115   1HB   ALA  14           HB2      ALA  14  -5.444   3.849  -4.972
  116   2HB   ALA  14           HB3      ALA  14  -5.008   5.557  -4.939
  117   3HB   ALA  14           HB1      ALA  14  -6.188   4.971  -6.110
  118    H    GLY  15           HN       GLY  15  -7.969   3.393  -2.505
  119   1HA   GLY  15           HA1      GLY  15  -9.926   2.520  -4.540
  120   2HA   GLY  15           HA2      GLY  15 -10.445   2.947  -2.920
  121    H    MET  16           HN       MET  16  -7.490   1.404  -2.615
  122    HA   MET  16           HA       MET  16  -8.692  -1.260  -2.573
  123   1HB   MET  16           HB2      MET  16  -5.838  -0.521  -1.872
  124   2HB   MET  16           HB1      MET  16  -6.476  -2.131  -2.134
  125   1HG   MET  16           HG2      MET  16  -6.293   0.033  -4.208
  126   2HG   MET  16           HG1      MET  16  -5.168  -1.309  -4.013
  127   1HE   MET  16           HE2      MET  16  -5.527  -1.869  -6.606
  128   2HE   MET  16           HE1      MET  16  -7.107  -2.162  -7.330
  129   3HE   MET  16           HE3      MET  16  -6.687  -0.550  -6.750
  130    H    ARG  17           HN       ARG  17  -8.258  -2.639  -0.633
  131    HA   ARG  17           HA       ARG  17  -9.246  -1.307   1.721
  132   1HB   ARG  17           HB2      ARG  17  -9.896  -3.625   0.898
  133   2HB   ARG  17           HB1      ARG  17  -8.317  -4.160   1.433
  134   1HG   ARG  17           HG2      ARG  17  -8.977  -3.267   3.726
  135   2HG   ARG  17           HG1      ARG  17 -10.622  -3.205   3.081
  136   1HD   ARG  17           HD2      ARG  17  -8.847  -5.589   3.492
  137   2HD   ARG  17           HD1      ARG  17 -10.475  -5.310   4.106
  138    HE   ARG  17           HE       ARG  17 -11.222  -5.548   1.732
  139   1HH1  ARG  17          1HH1      ARG  17  -8.226  -6.996   2.823
  140   2HH1  ARG  17          2HH1      ARG  17  -8.214  -8.224   1.600
  141   1HH2  ARG  17          1HH2      ARG  17 -11.199  -7.159   0.097
  142   2HH2  ARG  17          2HH2      ARG  17  -9.903  -8.317   0.048
  143    H    PHE  18           HN       PHE  18  -6.334  -3.100   0.796
  144    HA   PHE  18           HA       PHE  18  -4.796  -1.523   2.745
  145   1HB   PHE  18           HB2      PHE  18  -4.463  -4.495   2.242
  146   2HB   PHE  18           HB1      PHE  18  -3.396  -3.510   3.232
  147    HD1  PHE  18           HD1      PHE  18  -4.511  -2.288   5.238
  148    HD2  PHE  18           HD2      PHE  18  -6.223  -5.612   3.208
  149    HE1  PHE  18           HE1      PHE  18  -5.907  -2.769   7.205
  150    HE2  PHE  18           HE2      PHE  18  -7.625  -6.094   5.170
  151    HZ   PHE  18           HZ       PHE  18  -7.466  -4.674   7.171
  152    H    GLY  19           HN       GLY  19  -2.380  -1.768   2.233
  153   1HA   GLY  19           HA1      GLY  19  -1.826  -0.789  -0.298
  154   2HA   GLY  19           HA2      GLY  19  -1.594  -2.530  -0.394
  155    H    LYS  20           HN       LYS  20  -0.393  -3.312   1.773
  156    HA   LYS  20           HA       LYS  20   1.548  -1.403   2.737
  157   1HB   LYS  20           HB2      LYS  20   0.623  -3.033   4.297
  158   2HB   LYS  20           HB1      LYS  20   1.227  -4.354   3.304
  159   1HG   LYS  20           HG2      LYS  20   3.524  -3.635   3.744
  160   2HG   LYS  20           HG1      LYS  20   2.912  -2.323   4.753
  161   1HD   LYS  20           HD2      LYS  20   2.402  -5.249   5.263
  162   2HD   LYS  20           HD1      LYS  20   3.682  -4.311   6.034
  163   1HE   LYS  20           HE2      LYS  20   1.972  -2.794   6.959
  164   2HE   LYS  20           HE1      LYS  20   0.717  -3.799   6.236
  165   1HZ   LYS  20           HZ1      LYS  20   2.699  -4.733   8.239
  166   2HZ   LYS  20           HZ3      LYS  20   1.095  -4.311   8.588
  167   3HZ   LYS  20           HZ2      LYS  20   1.420  -5.644   7.593
  168    H    CYS  21           HN       CYS  21   3.586  -1.183   2.124
  169    HA   CYS  21           HA       CYS  21   4.632  -3.049   0.103
  170   1HB   CYS  21           HB2      CYS  21   4.228  -0.825  -0.811
  171   2HB   CYS  21           HB1      CYS  21   5.192  -0.104   0.471
  172    H    MET  22           HN       MET  22   6.590  -3.972   0.438
  173    HA   MET  22           HA       MET  22   8.437  -2.602   2.238
  174   1HB   MET  22           HB2      MET  22   7.249  -4.390   3.562
  175   2HB   MET  22           HB1      MET  22   7.906  -5.584   2.450
  176   1HG   MET  22           HG2      MET  22  10.162  -5.000   3.108
  177   2HG   MET  22           HG1      MET  22   9.542  -3.741   4.173
  178   1HE   MET  22           HE2      MET  22  11.566  -6.136   4.997
  179   2HE   MET  22           HE1      MET  22  11.074  -4.850   6.097
  180   3HE   MET  22           HE3      MET  22  10.933  -6.536   6.592
  181    H    ASN  23           HN       ASN  23  10.452  -2.559   1.417
  182    HA   ASN  23           HA       ASN  23  12.325  -3.090   0.260
  183   1HB   ASN  23           HB2      ASN  23  10.876  -5.686  -0.212
  184   2HB   ASN  23           HB1      ASN  23  12.454  -5.353  -0.912
  185   1HD2  ASN  23          1HD2      ASN  23  13.470  -6.958   0.195
  186   2HD2  ASN  23          2HD2      ASN  23  13.772  -6.892   1.899
  187    H    GLY  24           HN       GLY  24   9.247  -3.112  -1.281
  188   1HA   GLY  24           HA1      GLY  24  10.475  -2.857  -3.929
  189   2HA   GLY  24           HA2      GLY  24   9.582  -1.481  -3.303
  190    H    LYS  25           HN       LYS  25   8.397  -4.572  -2.397
  191    HA   LYS  25           HA       LYS  25   6.347  -4.407  -4.499
  192   1HB   LYS  25           HB2      LYS  25   5.865  -6.760  -4.049
  193   2HB   LYS  25           HB1      LYS  25   7.569  -6.543  -4.419
  194   1HG   LYS  25           HG2      LYS  25   8.187  -6.813  -2.139
  195   2HG   LYS  25           HG1      LYS  25   6.505  -6.726  -1.613
  196   1HD   LYS  25           HD2      LYS  25   7.176  -9.019  -1.560
  197   2HD   LYS  25           HD1      LYS  25   6.065  -8.807  -2.913
  198   1HE   LYS  25           HE2      LYS  25   7.894 -10.199  -3.605
  199   2HE   LYS  25           HE1      LYS  25   8.007  -8.646  -4.431
  200   1HZ   LYS  25           HZ1      LYS  25   9.503  -9.215  -1.940
  201   2HZ   LYS  25           HZ3      LYS  25  10.126  -9.597  -3.469
  202   3HZ   LYS  25           HZ2      LYS  25   9.784  -7.982  -3.078
  203    H    CYS  26           HN       CYS  26   4.233  -4.085  -3.964
  204    HA   CYS  26           HA       CYS  26   3.613  -4.086  -1.092
  205   1HB   CYS  26           HB2      CYS  26   1.933  -2.288  -1.611
  206   2HB   CYS  26           HB1      CYS  26   3.620  -1.814  -1.731
  207    H    HIS  27           HN       HIS  27   1.799  -5.011  -0.401
  208    HA   HIS  27           HA       HIS  27   0.277  -6.583  -2.343
  209   1HB   HIS  27           HB2      HIS  27   0.232  -6.600   0.687
  210   2HB   HIS  27           HB1      HIS  27  -0.694  -7.682  -0.343
  211    HD1  HIS  27           HD1      HIS  27   2.471  -7.385   1.397
  212    HD2  HIS  27           HD2      HIS  27   1.055  -9.462  -1.916
  213    HE1  HIS  27           HE1      HIS  27   4.126  -9.235   0.997
  214    HE2  HIS  27           HE2      HIS  27   3.117 -10.608  -0.855
  215    H    CYS  28           HN       CYS  28  -1.055  -5.056  -3.296
  216    HA   CYS  28           HA       CYS  28  -2.770  -3.467  -1.556
  217   1HB   CYS  28           HB2      CYS  28  -2.880  -3.555  -4.565
  218   2HB   CYS  28           HB1      CYS  28  -3.426  -2.278  -3.501
  219    H    THR  29           HN       THR  29  -4.397  -4.564  -0.713
  220    HA   THR  29           HA       THR  29  -5.798  -6.556  -2.338
  221    HB   THR  29           HB       THR  29  -6.951  -7.032  -0.088
  222    HG1  THR  29           HG1      THR  29  -4.760  -6.075   1.272
  223   1HG2  THR  29          2HG2      THR  29  -5.196  -8.456  -1.095
  224   2HG2  THR  29          1HG2      THR  29  -3.970  -7.488  -0.273
  225   3HG2  THR  29          3HG2      THR  29  -5.121  -8.437   0.667
  226    HA   PRO  30           HA       PRO  30  -8.564  -3.199  -3.372
  227   1HB   PRO  30           HB2      PRO  30 -10.138  -5.565  -4.308
  228   2HB   PRO  30           HB1      PRO  30  -9.775  -4.049  -5.147
  229   1HG   PRO  30           HG2      PRO  30  -8.403  -6.177  -5.808
  230   2HG   PRO  30           HG1      PRO  30  -7.530  -4.654  -5.512
  231   1HD   PRO  30           HD2      PRO  30  -7.867  -7.015  -3.677
  232   2HD   PRO  30           HD1      PRO  30  -6.390  -6.108  -4.077
  233    H    LYS  31           HN       LYS  31 -10.437  -2.318  -2.696
  234    HA   LYS  31           HA       LYS  31 -11.445  -3.191  -0.170
  235   1HB   LYS  31           HB2      LYS  31 -11.229  -0.814  -0.732
  236   2HB   LYS  31           HB1      LYS  31 -12.405  -1.000  -2.026
  237   1HG   LYS  31           HG2      LYS  31 -13.534  -0.002  -0.209
  238   2HG   LYS  31           HG1      LYS  31 -14.071  -1.681  -0.273
  239   1HD   LYS  31           HD2      LYS  31 -13.642  -1.031   2.025
  240   2HD   LYS  31           HD1      LYS  31 -12.460  -2.235   1.510
  241   1HE   LYS  31           HE2      LYS  31 -11.406  -0.431   2.782
  242   2HE   LYS  31           HE1      LYS  31 -10.815  -0.483   1.121
  243   1HZ   LYS  31           HZ2      LYS  31 -12.326   1.341   0.574
  244   2HZ   LYS  31           HZ1      LYS  31 -12.870   1.396   2.180
  245   3HZ   LYS  31           HZ3      LYS  31 -11.261   1.784   1.811

  No H/Q in entry =         245
  Start of MODEL   15
    1    H1   CYS   1           HT1      CYS   1   7.983   0.428  -5.387
    2    H2   CYS   1           HT3      CYS   1   7.018   1.800  -5.623
    3    H3   CYS   1           HT2      CYS   1   8.693   1.970  -5.414
    4    HA   CYS   1           HA       CYS   1   7.598   2.596  -3.398
    5   1HB   CYS   1           HB2      CYS   1   6.089   1.173  -2.256
    6   2HB   CYS   1           HB1      CYS   1   5.566   1.171  -3.931
    7    H    LYS   2           HN       LYS   2   8.742   2.368  -1.551
    8    HA   LYS   2           HA       LYS   2  10.591   0.088  -1.364
    9   1HB   LYS   2           HB2      LYS   2  10.881   2.931  -0.367
   10   2HB   LYS   2           HB1      LYS   2  12.015   1.636   0.000
   11   1HG   LYS   2           HG2      LYS   2  12.590   1.425  -2.331
   12   2HG   LYS   2           HG1      LYS   2  11.370   2.622  -2.772
   13   1HD   LYS   2           HD2      LYS   2  13.732   3.158  -0.972
   14   2HD   LYS   2           HD1      LYS   2  13.674   3.545  -2.693
   15   1HE   LYS   2           HE2      LYS   2  11.832   5.064  -2.332
   16   2HE   LYS   2           HE1      LYS   2  11.740   4.605  -0.634
   17   1HZ   LYS   2           HZ2      LYS   2  14.087   5.925  -1.898
   18   2HZ   LYS   2           HZ1      LYS   2  12.892   6.728  -1.001
   19   3HZ   LYS   2           HZ3      LYS   2  13.884   5.578  -0.250
   20    H    ILE   3           HN       ILE   3   8.105   1.911   0.183
   21    HA   ILE   3           HA       ILE   3   8.367   0.324   2.647
   22    HB   ILE   3           HB       ILE   3   7.671   3.228   2.704
   23   1HG1  ILE   3          2HG1      ILE   3  10.446   2.098   3.072
   24   2HG1  ILE   3          1HG1      ILE   3   9.906   3.047   1.692
   25   1HG2  ILE   3          3HG2      ILE   3   8.676   1.301   4.787
   26   2HG2  ILE   3          2HG2      ILE   3   8.449   3.027   5.064
   27   3HG2  ILE   3          1HG2      ILE   3   7.065   2.008   4.678
   28   1HD1  ILE   3          3HD1      ILE   3   9.522   4.959   3.162
   29   2HD1  ILE   3          2HD1      ILE   3  10.080   4.009   4.538
   30   3HD1  ILE   3          1HD1      ILE   3  11.195   4.406   3.232
   31    H    SER   4           HN       SER   4   6.333   0.261   3.903
   32    HA   SER   4           HA       SER   4   4.163  -0.446   2.506
   33   1HB   SER   4           HB2      SER   4   4.227   0.782   5.254
   34   2HB   SER   4           HB1      SER   4   2.918  -0.188   4.593
   35    HG   SER   4           HG       SER   4   5.154  -1.549   4.226
   36    H    ARG   5           HN       ARG   5   4.985   2.802   3.434
   37    HA   ARG   5           HA       ARG   5   2.414   3.977   3.132
   38   1HB   ARG   5           HB2      ARG   5   5.113   5.309   2.929
   39   2HB   ARG   5           HB1      ARG   5   3.582   6.087   3.296
   40   1HG   ARG   5           HG2      ARG   5   3.609   5.437   5.458
   41   2HG   ARG   5           HG1      ARG   5   4.431   3.913   5.103
   42   1HD   ARG   5           HD2      ARG   5   5.834   5.528   6.372
   43   2HD   ARG   5           HD1      ARG   5   6.527   5.031   4.826
   44    HE   ARG   5           HE       ARG   5   4.987   7.451   4.655
   45   1HH1  ARG   5          1HH1      ARG   5   8.131   6.145   5.517
   46   2HH1  ARG   5          2HH1      ARG   5   8.988   7.587   5.063
   47   1HH2  ARG   5          1HH2      ARG   5   6.117   9.338   4.082
   48   2HH2  ARG   5          2HH2      ARG   5   7.846   9.406   4.255
   49    H    GLN   6           HN       GLN   6   5.050   3.296   0.991
   50    HA   GLN   6           HA       GLN   6   4.597   5.318  -0.919
   51   1HB   GLN   6           HB2      GLN   6   6.080   2.702  -1.056
   52   2HB   GLN   6           HB1      GLN   6   6.140   3.922  -2.326
   53   1HG   GLN   6           HG2      GLN   6   6.957   4.374   0.538
   54   2HG   GLN   6           HG1      GLN   6   8.069   3.963  -0.767
   55   1HE2  GLN   6          1HE2      GLN   6   6.767   5.553  -2.767
   56   2HE2  GLN   6          2HE2      GLN   6   7.108   7.209  -2.381
   57    H    CYS   7           HN       CYS   7   3.143   2.162  -0.520
   58    HA   CYS   7           HA       CYS   7   1.641   2.649  -3.016
   59   1HB   CYS   7           HB2      CYS   7   2.324   0.063  -1.626
   60   2HB   CYS   7           HB1      CYS   7   0.989   0.166  -2.765
   61    H    LEU   8           HN       LEU   8   1.462   3.020   0.213
   62    HA   LEU   8           HA       LEU   8  -1.049   1.941   0.892
   63   1HB   LEU   8           HB2      LEU   8   0.614   2.657   2.556
   64   2HB   LEU   8           HB1      LEU   8   0.385   4.326   2.069
   65    HG   LEU   8           HG       LEU   8  -1.986   4.171   2.823
   66   1HD1  LEU   8          2HD1      LEU   8  -1.103   1.496   3.909
   67   2HD1  LEU   8          1HD1      LEU   8  -2.629   2.300   4.269
   68   3HD1  LEU   8          3HD1      LEU   8  -2.285   1.759   2.628
   69   1HD2  LEU   8          1HD2      LEU   8  -0.246   5.120   4.253
   70   2HD2  LEU   8          3HD2      LEU   8  -1.474   4.281   5.202
   71   3HD2  LEU   8          2HD2      LEU   8   0.087   3.518   4.910
   72    H    LYS   9           HN       LYS   9  -0.079   5.188  -0.167
   73    HA   LYS   9           HA       LYS   9  -2.751   6.177  -0.212
   74   1HB   LYS   9           HB2      LYS   9  -0.945   7.516  -2.072
   75   2HB   LYS   9           HB1      LYS   9  -1.842   8.170  -0.713
   76   1HG   LYS   9           HG2      LYS   9   0.767   6.690  -0.508
   77   2HG   LYS   9           HG1      LYS   9   0.599   8.447  -0.525
   78   1HD   LYS   9           HD2      LYS   9  -0.943   8.164   1.488
   79   2HD   LYS   9           HD1      LYS   9  -0.340   6.509   1.575
   80   1HE   LYS   9           HE2      LYS   9   0.902   7.977   3.074
   81   2HE   LYS   9           HE1      LYS   9   1.943   7.345   1.798
   82   1HZ   LYS   9           HZ3      LYS   9   0.630   9.997   1.634
   83   2HZ   LYS   9           HZ2      LYS   9   2.176   9.783   2.300
   84   3HZ   LYS   9           HZ1      LYS   9   1.892   9.399   0.669
   85    HA   PRO  10           HA       PRO  10  -2.179   5.587  -5.094
   86   1HB   PRO  10           HB2      PRO  10  -0.379   3.213  -4.918
   87   2HB   PRO  10           HB1      PRO  10  -0.452   4.491  -6.135
   88   1HG   PRO  10           HG2      PRO  10   1.470   4.503  -4.334
   89   2HG   PRO  10           HG1      PRO  10   0.669   6.016  -4.802
   90   1HD   PRO  10           HD2      PRO  10   0.319   4.362  -2.344
   91   2HD   PRO  10           HD1      PRO  10   0.328   6.128  -2.526
   92    H    CYS  11           HN       CYS  11  -2.156   2.756  -2.897
   93    HA   CYS  11           HA       CYS  11  -4.229   1.565  -4.618
   94   1HB   CYS  11           HB2      CYS  11  -2.662   0.288  -2.377
   95   2HB   CYS  11           HB1      CYS  11  -3.803  -0.528  -3.433
   96    H    LYS  12           HN       LYS  12  -3.535   2.065  -1.147
   97    HA   LYS  12           HA       LYS  12  -6.100   1.047  -0.414
   98   1HB   LYS  12           HB2      LYS  12  -4.257   0.682   1.077
   99   2HB   LYS  12           HB1      LYS  12  -3.925   2.403   1.183
  100   1HG   LYS  12           HG2      LYS  12  -6.574   1.375   2.084
  101   2HG   LYS  12           HG1      LYS  12  -5.160   1.142   3.114
  102   1HD   LYS  12           HD2      LYS  12  -4.737   3.570   3.045
  103   2HD   LYS  12           HD1      LYS  12  -6.189   3.780   2.065
  104   1HE   LYS  12           HE2      LYS  12  -7.530   2.825   3.902
  105   2HE   LYS  12           HE1      LYS  12  -6.067   2.707   4.880
  106   1HZ   LYS  12           HZ2      LYS  12  -5.823   5.136   4.665
  107   2HZ   LYS  12           HZ1      LYS  12  -7.295   5.201   3.828
  108   3HZ   LYS  12           HZ3      LYS  12  -7.262   4.698   5.450
  109    H    ASP  13           HN       ASP  13  -4.617   4.274  -0.352
  110    HA   ASP  13           HA       ASP  13  -7.007   5.517   0.605
  111   1HB   ASP  13           HB2      ASP  13  -4.735   6.438   1.015
  112   2HB   ASP  13           HB1      ASP  13  -4.602   6.806  -0.701
  113    H    ALA  14           HN       ALA  14  -6.072   4.359  -2.402
  114    HA   ALA  14           HA       ALA  14  -7.701   6.176  -3.952
  115   1HB   ALA  14           HB2      ALA  14  -6.422   3.553  -4.723
  116   2HB   ALA  14           HB3      ALA  14  -5.735   5.156  -4.979
  117   3HB   ALA  14           HB1      ALA  14  -7.204   4.682  -5.830
  118    H    GLY  15           HN       GLY  15  -7.893   2.807  -2.803
  119   1HA   GLY  15           HA1      GLY  15 -10.522   2.421  -3.881
  120   2HA   GLY  15           HA2      GLY  15 -10.569   2.811  -2.170
  121    H    MET  16           HN       MET  16  -8.106   1.405  -1.516
  122    HA   MET  16           HA       MET  16  -9.165  -1.335  -1.706
  123   1HB   MET  16           HB2      MET  16  -6.217  -0.630  -1.621
  124   2HB   MET  16           HB1      MET  16  -6.913  -2.240  -1.763
  125   1HG   MET  16           HG2      MET  16  -7.997  -1.271  -3.928
  126   2HG   MET  16           HG1      MET  16  -6.713  -0.074  -3.789
  127   1HE   MET  16           HE2      MET  16  -5.827  -0.730  -6.176
  128   2HE   MET  16           HE1      MET  16  -5.392  -2.375  -6.641
  129   3HE   MET  16           HE3      MET  16  -7.080  -1.963  -6.335
  130    H    ARG  17           HN       ARG  17  -8.432  -2.733   0.139
  131    HA   ARG  17           HA       ARG  17  -8.913  -1.329   2.593
  132   1HB   ARG  17           HB2      ARG  17  -8.010  -4.181   2.188
  133   2HB   ARG  17           HB1      ARG  17  -8.668  -3.512   3.668
  134   1HG   ARG  17           HG2      ARG  17 -10.804  -3.126   2.501
  135   2HG   ARG  17           HG1      ARG  17 -10.126  -3.901   1.065
  136   1HD   ARG  17           HD2      ARG  17 -10.647  -5.127   3.764
  137   2HD   ARG  17           HD1      ARG  17 -11.388  -5.553   2.221
  138    HE   ARG  17           HE       ARG  17  -8.590  -6.106   2.970
  139   1HH1  ARG  17          1HH1      ARG  17 -11.456  -6.824   1.097
  140   2HH1  ARG  17          2HH1      ARG  17 -10.768  -8.239   0.347
  141   1HH2  ARG  17          1HH2      ARG  17  -7.693  -7.976   2.020
  142   2HH2  ARG  17          2HH2      ARG  17  -8.627  -8.899   0.880
  143    H    PHE  18           HN       PHE  18  -6.194  -3.127   1.234
  144    HA   PHE  18           HA       PHE  18  -4.389  -1.578   2.971
  145   1HB   PHE  18           HB2      PHE  18  -4.186  -4.530   2.325
  146   2HB   PHE  18           HB1      PHE  18  -2.948  -3.600   3.157
  147    HD1  PHE  18           HD1      PHE  18  -3.495  -2.592   5.398
  148    HD2  PHE  18           HD2      PHE  18  -6.011  -5.443   3.482
  149    HE1  PHE  18           HE1      PHE  18  -4.583  -3.072   7.551
  150    HE2  PHE  18           HE2      PHE  18  -7.106  -5.928   5.633
  151    HZ   PHE  18           HZ       PHE  18  -6.399  -4.748   7.664
  152    H    GLY  19           HN       GLY  19  -2.295  -1.242   2.110
  153   1HA   GLY  19           HA1      GLY  19  -1.887  -0.371  -0.362
  154   2HA   GLY  19           HA2      GLY  19  -1.743  -2.110  -0.613
  155    H    LYS  20           HN       LYS  20  -0.423  -3.050   1.469
  156    HA   LYS  20           HA       LYS  20   1.603  -1.188   2.379
  157   1HB   LYS  20           HB2      LYS  20   1.181  -4.108   3.028
  158   2HB   LYS  20           HB1      LYS  20   2.328  -3.040   3.827
  159   1HG   LYS  20           HG2      LYS  20   0.528  -1.697   4.706
  160   2HG   LYS  20           HG1      LYS  20  -0.659  -2.656   3.819
  161   1HD   LYS  20           HD2      LYS  20   1.191  -3.722   5.954
  162   2HD   LYS  20           HD1      LYS  20  -0.505  -3.299   6.201
  163   1HE   LYS  20           HE2      LYS  20  -1.184  -4.989   4.590
  164   2HE   LYS  20           HE1      LYS  20   0.504  -5.377   4.258
  165   1HZ   LYS  20           HZ3      LYS  20  -0.831  -5.701   6.894
  166   2HZ   LYS  20           HZ2      LYS  20  -0.536  -6.956   5.791
  167   3HZ   LYS  20           HZ1      LYS  20   0.763  -6.140   6.516
  168    H    CYS  21           HN       CYS  21   3.541  -1.005   1.581
  169    HA   CYS  21           HA       CYS  21   4.628  -3.105  -0.153
  170   1HB   CYS  21           HB2      CYS  21   4.531  -0.879  -1.168
  171   2HB   CYS  21           HB1      CYS  21   5.449  -0.205   0.174
  172    H    MET  22           HN       MET  22   6.632  -3.980   0.245
  173    HA   MET  22           HA       MET  22   8.125  -2.966   2.542
  174   1HB   MET  22           HB2      MET  22   6.847  -4.792   3.487
  175   2HB   MET  22           HB1      MET  22   7.267  -5.849   2.151
  176   1HG   MET  22           HG2      MET  22   9.422  -4.731   3.888
  177   2HG   MET  22           HG1      MET  22   8.457  -6.096   4.448
  178   1HE   MET  22           HE2      MET  22  11.644  -6.147   4.101
  179   2HE   MET  22           HE1      MET  22  10.721  -7.535   4.676
  180   3HE   MET  22           HE3      MET  22  11.875  -7.730   3.359
  181    H    ASN  23           HN       ASN  23  10.162  -2.708   2.035
  182    HA   ASN  23           HA       ASN  23  12.168  -2.791   1.025
  183   1HB   ASN  23           HB2      ASN  23  12.152  -5.200   1.445
  184   2HB   ASN  23           HB1      ASN  23  11.258  -5.464  -0.048
  185   1HD2  ASN  23          1HD2      ASN  23  14.327  -4.584   1.347
  186   2HD2  ASN  23          2HD2      ASN  23  15.265  -4.786  -0.105
  187    H    GLY  24           HN       GLY  24  10.133  -4.391  -1.448
  188   1HA   GLY  24           HA1      GLY  24  11.168  -3.447  -3.713
  189   2HA   GLY  24           HA2      GLY  24  10.363  -2.009  -3.110
  190    H    LYS  25           HN       LYS  25   8.448  -4.417  -2.022
  191    HA   LYS  25           HA       LYS  25   6.789  -4.308  -4.446
  192   1HB   LYS  25           HB2      LYS  25   6.135  -6.645  -4.141
  193   2HB   LYS  25           HB1      LYS  25   7.871  -6.503  -4.380
  194   1HG   LYS  25           HG2      LYS  25   8.286  -6.850  -2.048
  195   2HG   LYS  25           HG1      LYS  25   6.559  -6.788  -1.686
  196   1HD   LYS  25           HD2      LYS  25   7.316  -9.089  -1.708
  197   2HD   LYS  25           HD1      LYS  25   6.228  -8.803  -3.067
  198   1HE   LYS  25           HE2      LYS  25   8.113 -10.121  -3.805
  199   2HE   LYS  25           HE1      LYS  25   8.190  -8.521  -4.538
  200   1HZ   LYS  25           HZ1      LYS  25   9.757  -7.912  -2.703
  201   2HZ   LYS  25           HZ3      LYS  25   9.810  -9.552  -2.278
  202   3HZ   LYS  25           HZ2      LYS  25  10.352  -9.049  -3.802
  203    H    CYS  26           HN       CYS  26   4.623  -4.000  -4.109
  204    HA   CYS  26           HA       CYS  26   3.761  -3.987  -1.302
  205   1HB   CYS  26           HB2      CYS  26   2.026  -2.275  -2.087
  206   2HB   CYS  26           HB1      CYS  26   3.684  -1.734  -1.889
  207    H    HIS  27           HN       HIS  27   1.727  -4.664  -0.784
  208    HA   HIS  27           HA       HIS  27   0.338  -6.235  -2.855
  209   1HB   HIS  27           HB2      HIS  27   0.427  -6.732   0.134
  210   2HB   HIS  27           HB1      HIS  27  -0.461  -7.696  -1.038
  211    HD1  HIS  27           HD1      HIS  27   2.591  -7.699   0.780
  212    HD2  HIS  27           HD2      HIS  27   1.481  -8.842  -3.058
  213    HE1  HIS  27           HE1      HIS  27   4.407  -9.239  -0.017
  214    HE2  HIS  27           HE2      HIS  27   3.596 -10.095  -2.244
  215    H    CYS  28           HN       CYS  28  -1.210  -4.845  -3.506
  216    HA   CYS  28           HA       CYS  28  -2.753  -3.408  -1.486
  217   1HB   CYS  28           HB2      CYS  28  -3.263  -3.173  -4.435
  218   2HB   CYS  28           HB1      CYS  28  -3.478  -1.980  -3.167
  219    H    THR  29           HN       THR  29  -4.564  -4.215  -0.740
  220    HA   THR  29           HA       THR  29  -5.865  -6.388  -2.220
  221    HB   THR  29           HB       THR  29  -7.006  -6.781   0.047
  222    HG1  THR  29           HG1      THR  29  -4.886  -5.658   1.373
  223   1HG2  THR  29          1HG2      THR  29  -4.012  -7.127  -0.183
  224   2HG2  THR  29          3HG2      THR  29  -5.064  -8.010   0.924
  225   3HG2  THR  29          2HG2      THR  29  -5.238  -8.225  -0.817
  226    HA   PRO  30           HA       PRO  30  -8.629  -2.997  -3.307
  227   1HB   PRO  30           HB2      PRO  30  -9.944  -5.196  -4.802
  228   2HB   PRO  30           HB1      PRO  30  -9.389  -3.616  -5.370
  229   1HG   PRO  30           HG2      PRO  30  -8.024  -5.796  -5.993
  230   2HG   PRO  30           HG1      PRO  30  -7.183  -4.303  -5.525
  231   1HD   PRO  30           HD2      PRO  30  -7.729  -6.754  -3.876
  232   2HD   PRO  30           HD1      PRO  30  -6.229  -5.808  -4.018
  233    H    LYS  31           HN       LYS  31 -10.773  -2.448  -3.077
  234    HA   LYS  31           HA       LYS  31 -12.312  -4.104  -1.209
  235   1HB   LYS  31           HB2      LYS  31 -12.517  -1.180  -1.949
  236   2HB   LYS  31           HB1      LYS  31 -13.689  -2.003  -0.925
  237   1HG   LYS  31           HG2      LYS  31 -12.016  -2.431   0.740
  238   2HG   LYS  31           HG1      LYS  31 -10.746  -1.801  -0.311
  239   1HD   LYS  31           HD2      LYS  31 -11.742   0.416  -0.223
  240   2HD   LYS  31           HD1      LYS  31 -13.073  -0.201   0.758
  241   1HE   LYS  31           HE2      LYS  31 -11.583  -0.697   2.574
  242   2HE   LYS  31           HE1      LYS  31 -10.174  -0.312   1.585
  243   1HZ   LYS  31           HZ1      LYS  31 -10.978   1.997   1.465
  244   2HZ   LYS  31           HZ3      LYS  31 -12.264   1.600   2.505
  245   3HZ   LYS  31           HZ2      LYS  31 -10.665   1.508   3.060

  No H/Q in entry =         245
  Start of MODEL   16
    1    H1   CYS   1           HT1      CYS   1   9.272   1.899  -5.380
    2    H2   CYS   1           HT3      CYS   1   8.090   0.688  -5.429
    3    H3   CYS   1           HT2      CYS   1   7.640   2.318  -5.577
    4    HA   CYS   1           HA       CYS   1   8.299   2.775  -3.333
    5   1HB   CYS   1           HB2      CYS   1   6.579   1.573  -2.191
    6   2HB   CYS   1           HB1      CYS   1   6.008   1.814  -3.837
    7    H    LYS   2           HN       LYS   2   9.191   2.078  -1.365
    8    HA   LYS   2           HA       LYS   2  10.362  -0.611  -1.325
    9   1HB   LYS   2           HB2      LYS   2  12.428   0.280  -0.344
   10   2HB   LYS   2           HB1      LYS   2  12.146   0.951  -1.945
   11   1HG   LYS   2           HG2      LYS   2  11.005   2.882  -0.578
   12   2HG   LYS   2           HG1      LYS   2  12.040   2.272   0.714
   13   1HD   LYS   2           HD2      LYS   2  13.195   4.039  -0.445
   14   2HD   LYS   2           HD1      LYS   2  13.987   2.503  -0.810
   15   1HE   LYS   2           HE2      LYS   2  12.832   2.384  -2.942
   16   2HE   LYS   2           HE1      LYS   2  11.958   3.873  -2.577
   17   1HZ   LYS   2           HZ3      LYS   2  14.116   5.028  -2.514
   18   2HZ   LYS   2           HZ2      LYS   2  14.893   3.593  -2.969
   19   3HZ   LYS   2           HZ1      LYS   2  13.804   4.332  -4.029
   20    H    ILE   3           HN       ILE   3   8.551   1.817   0.138
   21    HA   ILE   3           HA       ILE   3   8.573   0.378   2.703
   22    HB   ILE   3           HB       ILE   3   8.011   3.271   2.734
   23   1HG1  ILE   3          2HG1      ILE   3  10.825   2.184   2.667
   24   2HG1  ILE   3          1HG1      ILE   3  10.070   3.185   1.426
   25   1HG2  ILE   3          2HG2      ILE   3   7.717   1.942   4.736
   26   2HG2  ILE   3          1HG2      ILE   3   9.393   1.401   4.645
   27   3HG2  ILE   3          3HG2      ILE   3   9.030   3.095   4.967
   28   1HD1  ILE   3          3HD1      ILE   3  10.630   4.029   4.261
   29   2HD1  ILE   3          2HD1      ILE   3  11.570   4.478   2.838
   30   3HD1  ILE   3          1HD1      ILE   3   9.903   5.029   3.002
   31    H    SER   4           HN       SER   4   6.618   0.451   3.849
   32    HA   SER   4           HA       SER   4   4.372  -0.186   2.559
   33   1HB   SER   4           HB2      SER   4   4.683  -0.520   4.924
   34   2HB   SER   4           HB1      SER   4   4.561   1.213   5.222
   35    HG   SER   4           HG       SER   4   2.589   0.226   5.663
   36    H    ARG   5           HN       ARG   5   5.237   3.136   3.375
   37    HA   ARG   5           HA       ARG   5   2.606   4.193   3.208
   38   1HB   ARG   5           HB2      ARG   5   4.759   6.102   2.616
   39   2HB   ARG   5           HB1      ARG   5   3.520   6.156   3.857
   40   1HG   ARG   5           HG2      ARG   5   6.113   4.633   3.994
   41   2HG   ARG   5           HG1      ARG   5   5.723   6.126   4.845
   42   1HD   ARG   5           HD2      ARG   5   3.922   4.947   6.037
   43   2HD   ARG   5           HD1      ARG   5   4.372   3.459   5.200
   44    HE   ARG   5           HE       ARG   5   6.690   4.266   6.389
   45   1HH1  ARG   5          1HH1      ARG   5   3.433   3.735   7.593
   46   2HH1  ARG   5          2HH1      ARG   5   3.967   3.191   9.161
   47   1HH2  ARG   5          1HH2      ARG   5   7.392   3.523   8.438
   48   2HH2  ARG   5          2HH2      ARG   5   6.208   3.068   9.638
   49    H    GLN   6           HN       GLN   6   5.199   3.763   0.957
   50    HA   GLN   6           HA       GLN   6   4.397   5.597  -1.023
   51   1HB   GLN   6           HB2      GLN   6   6.133   3.148  -1.083
   52   2HB   GLN   6           HB1      GLN   6   5.975   4.248  -2.451
   53   1HG   GLN   6           HG2      GLN   6   6.824   6.061  -1.001
   54   2HG   GLN   6           HG1      GLN   6   7.048   4.871   0.284
   55   1HE2  GLN   6          1HE2      GLN   6   8.187   6.067  -2.738
   56   2HE2  GLN   6          2HE2      GLN   6   9.660   5.156  -2.786
   57    H    CYS   7           HN       CYS   7   3.131   2.518  -0.208
   58    HA   CYS   7           HA       CYS   7   1.575   2.577  -2.711
   59   1HB   CYS   7           HB2      CYS   7   2.533   0.227  -1.092
   60   2HB   CYS   7           HB1      CYS   7   1.159   0.083  -2.186
   61    H    LEU   8           HN       LEU   8   1.518   3.101   0.554
   62    HA   LEU   8           HA       LEU   8  -0.830   1.812   1.375
   63   1HB   LEU   8           HB2      LEU   8   0.979   2.959   2.803
   64   2HB   LEU   8           HB1      LEU   8   0.084   4.438   2.506
   65    HG   LEU   8           HG       LEU   8  -1.945   3.292   3.469
   66   1HD1  LEU   8          3HD1      LEU   8  -1.167   0.990   3.187
   67   2HD1  LEU   8          2HD1      LEU   8   0.113   1.281   4.368
   68   3HD1  LEU   8          1HD1      LEU   8  -1.580   1.336   4.867
   69   1HD2  LEU   8          2HD2      LEU   8   0.467   3.678   5.230
   70   2HD2  LEU   8          1HD2      LEU   8  -0.708   4.906   4.763
   71   3HD2  LEU   8          3HD2      LEU   8  -1.200   3.568   5.797
   72    H    LYS   9           HN       LYS   9  -0.344   5.238   0.423
   73    HA   LYS   9           HA       LYS   9  -3.180   5.666   0.296
   74   1HB   LYS   9           HB2      LYS   9  -1.572   7.460  -1.361
   75   2HB   LYS   9           HB1      LYS   9  -2.769   7.828  -0.135
   76   1HG   LYS   9           HG2      LYS   9  -1.020   7.264   1.574
   77   2HG   LYS   9           HG1      LYS   9   0.127   7.223   0.219
   78   1HD   LYS   9           HD2      LYS   9  -0.422   9.495  -0.368
   79   2HD   LYS   9           HD1      LYS   9  -1.675   9.547   0.875
   80   1HE   LYS   9           HE2      LYS   9  -0.045   9.441   2.616
   81   2HE   LYS   9           HE1      LYS   9   1.248   9.088   1.470
   82   1HZ   LYS   9           HZ3      LYS   9  -0.290  11.633   1.574
   83   2HZ   LYS   9           HZ2      LYS   9   1.268  11.407   2.205
   84   3HZ   LYS   9           HZ1      LYS   9   1.005  11.282   0.535
   85    HA   PRO  10           HA       PRO  10  -2.176   5.699  -4.556
   86   1HB   PRO  10           HB2      PRO  10  -0.145   3.518  -4.364
   87   2HB   PRO  10           HB1      PRO  10  -0.275   4.842  -5.520
   88   1HG   PRO  10           HG2      PRO  10   1.495   4.967  -3.566
   89   2HG   PRO  10           HG1      PRO  10   0.583   6.407  -4.056
   90   1HD   PRO  10           HD2      PRO  10   0.253   4.684  -1.661
   91   2HD   PRO  10           HD1      PRO  10  -0.006   6.429  -1.843
   92    H    CYS  11           HN       CYS  11  -2.172   2.896  -2.417
   93    HA   CYS  11           HA       CYS  11  -3.946   1.502  -4.280
   94   1HB   CYS  11           HB2      CYS  11  -2.624   0.586  -1.719
   95   2HB   CYS  11           HB1      CYS  11  -3.695  -0.409  -2.700
   96    H    LYS  12           HN       LYS  12  -3.923   2.501  -0.811
   97    HA   LYS  12           HA       LYS  12  -6.613   1.515  -0.507
   98   1HB   LYS  12           HB2      LYS  12  -5.043   3.184   1.459
   99   2HB   LYS  12           HB1      LYS  12  -6.484   2.226   1.785
  100   1HG   LYS  12           HG2      LYS  12  -5.309   0.193   1.440
  101   2HG   LYS  12           HG1      LYS  12  -3.874   1.052   0.879
  102   1HD   LYS  12           HD2      LYS  12  -3.729   0.234   3.236
  103   2HD   LYS  12           HD1      LYS  12  -3.488   1.970   3.056
  104   1HE   LYS  12           HE2      LYS  12  -6.249   1.025   3.582
  105   2HE   LYS  12           HE1      LYS  12  -5.094   0.913   4.907
  106   1HZ   LYS  12           HZ1      LYS  12  -5.582   3.421   3.386
  107   2HZ   LYS  12           HZ3      LYS  12  -6.408   3.014   4.809
  108   3HZ   LYS  12           HZ2      LYS  12  -4.729   3.236   4.842
  109    H    ASP  13           HN       ASP  13  -5.112   4.646  -0.941
  110    HA   ASP  13           HA       ASP  13  -7.417   6.199  -0.302
  111   1HB   ASP  13           HB2      ASP  13  -5.230   7.253  -0.203
  112   2HB   ASP  13           HB1      ASP  13  -4.917   6.853  -1.887
  113    H    ALA  14           HN       ALA  14  -6.442   4.376  -3.031
  114    HA   ALA  14           HA       ALA  14  -8.221   5.717  -4.886
  115   1HB   ALA  14           HB2      ALA  14  -6.638   3.171  -5.232
  116   2HB   ALA  14           HB3      ALA  14  -6.080   4.786  -5.669
  117   3HB   ALA  14           HB1      ALA  14  -7.458   4.073  -6.506
  118    H    GLY  15           HN       GLY  15  -8.244   2.965  -2.759
  119   1HA   GLY  15           HA1      GLY  15 -10.750   1.996  -3.948
  120   2HA   GLY  15           HA2      GLY  15 -10.762   2.515  -2.270
  121    H    MET  16           HN       MET  16  -8.507   1.516  -1.222
  122    HA   MET  16           HA       MET  16  -8.955  -1.368  -1.408
  123   1HB   MET  16           HB2      MET  16  -6.230  -0.057  -1.607
  124   2HB   MET  16           HB1      MET  16  -6.489  -1.779  -1.350
  125   1HG   MET  16           HG2      MET  16  -7.595  -1.968  -3.490
  126   2HG   MET  16           HG1      MET  16  -7.468  -0.230  -3.739
  127   1HE   MET  16           HE3      MET  16  -6.583  -2.158  -5.992
  128   2HE   MET  16           HE2      MET  16  -6.323  -0.419  -6.090
  129   3HE   MET  16           HE1      MET  16  -4.998  -1.528  -6.436
  130    H    ARG  17           HN       ARG  17  -8.371  -2.517   0.443
  131    HA   ARG  17           HA       ARG  17  -8.749  -1.011   2.885
  132   1HB   ARG  17           HB2      ARG  17  -9.028  -3.743   1.951
  133   2HB   ARG  17           HB1      ARG  17  -8.350  -3.663   3.564
  134   1HG   ARG  17           HG2      ARG  17 -10.870  -3.915   3.364
  135   2HG   ARG  17           HG1      ARG  17 -10.270  -2.657   4.444
  136   1HD   ARG  17           HD2      ARG  17 -12.218  -2.031   2.957
  137   2HD   ARG  17           HD1      ARG  17 -10.830  -0.948   2.918
  138    HE   ARG  17           HE       ARG  17 -10.467  -2.777   0.877
  139   1HH1  ARG  17          1HH1      ARG  17 -12.946  -0.438   1.714
  140   2HH1  ARG  17          2HH1      ARG  17 -13.188   0.054   0.057
  141   1HH2  ARG  17          1HH2      ARG  17 -10.795  -2.071  -1.281
  142   2HH2  ARG  17          2HH2      ARG  17 -11.974  -0.839  -1.606
  143    H    PHE  18           HN       PHE  18  -6.288  -3.005   1.375
  144    HA   PHE  18           HA       PHE  18  -4.327  -1.892   3.261
  145   1HB   PHE  18           HB2      PHE  18  -4.470  -4.772   2.327
  146   2HB   PHE  18           HB1      PHE  18  -3.089  -4.069   3.159
  147    HD1  PHE  18           HD1      PHE  18  -3.306  -3.342   5.512
  148    HD2  PHE  18           HD2      PHE  18  -6.404  -5.459   3.506
  149    HE1  PHE  18           HE1      PHE  18  -4.321  -3.907   7.682
  150    HE2  PHE  18           HE2      PHE  18  -7.427  -6.022   5.671
  151    HZ   PHE  18           HZ       PHE  18  -6.384  -5.248   7.762
  152    H    GLY  19           HN       GLY  19  -2.085  -2.098   2.392
  153   1HA   GLY  19           HA1      GLY  19  -1.947  -0.958  -0.199
  154   2HA   GLY  19           HA2      GLY  19  -1.437  -2.641  -0.247
  155    H    LYS  20           HN       LYS  20   0.154  -3.224   1.565
  156    HA   LYS  20           HA       LYS  20   1.842  -0.904   2.185
  157   1HB   LYS  20           HB2      LYS  20   2.758  -2.230   4.033
  158   2HB   LYS  20           HB1      LYS  20   1.017  -2.044   4.157
  159   1HG   LYS  20           HG2      LYS  20   0.786  -4.334   3.187
  160   2HG   LYS  20           HG1      LYS  20   2.541  -4.494   3.313
  161   1HD   LYS  20           HD2      LYS  20   2.303  -3.937   5.759
  162   2HD   LYS  20           HD1      LYS  20   0.560  -4.096   5.547
  163   1HE   LYS  20           HE2      LYS  20   1.392  -6.167   6.391
  164   2HE   LYS  20           HE1      LYS  20   0.949  -6.407   4.702
  165   1HZ   LYS  20           HZ1      LYS  20   3.302  -6.129   4.112
  166   2HZ   LYS  20           HZ3      LYS  20   3.695  -5.993   5.757
  167   3HZ   LYS  20           HZ2      LYS  20   3.057  -7.443   5.157
  168    H    CYS  21           HN       CYS  21   3.840  -0.762   1.505
  169    HA   CYS  21           HA       CYS  21   4.869  -2.876  -0.231
  170   1HB   CYS  21           HB2      CYS  21   4.710  -0.585  -1.146
  171   2HB   CYS  21           HB1      CYS  21   5.788  -0.014   0.122
  172    H    MET  22           HN       MET  22   6.725  -3.959   0.197
  173    HA   MET  22           HA       MET  22   8.496  -2.889   2.271
  174   1HB   MET  22           HB2      MET  22   7.013  -4.569   3.361
  175   2HB   MET  22           HB1      MET  22   7.543  -5.775   2.198
  176   1HG   MET  22           HG2      MET  22   8.699  -6.068   4.294
  177   2HG   MET  22           HG1      MET  22   9.832  -5.579   3.036
  178   1HE   MET  22           HE3      MET  22  11.662  -4.962   4.833
  179   2HE   MET  22           HE2      MET  22  11.365  -3.911   6.217
  180   3HE   MET  22           HE1      MET  22  10.566  -5.480   6.114
  181    H    ASN  23           HN       ASN  23  10.535  -2.902   1.566
  182    HA   ASN  23           HA       ASN  23  12.485  -3.527   0.608
  183   1HB   ASN  23           HB2      ASN  23  10.972  -6.085   0.278
  184   2HB   ASN  23           HB1      ASN  23  12.524  -5.885  -0.528
  185   1HD2  ASN  23          1HD2      ASN  23  14.387  -5.706   0.690
  186   2HD2  ASN  23          2HD2      ASN  23  14.444  -6.140   2.369
  187    H    GLY  24           HN       GLY  24   9.592  -3.500  -1.281
  188   1HA   GLY  24           HA1      GLY  24  11.090  -3.488  -3.778
  189   2HA   GLY  24           HA2      GLY  24  10.409  -1.947  -3.287
  190    H    LYS  25           HN       LYS  25   8.519  -4.628  -2.346
  191    HA   LYS  25           HA       LYS  25   6.703  -4.052  -4.588
  192   1HB   LYS  25           HB2      LYS  25   5.948  -6.390  -4.546
  193   2HB   LYS  25           HB1      LYS  25   7.658  -6.265  -4.936
  194   1HG   LYS  25           HG2      LYS  25   8.262  -6.931  -2.707
  195   2HG   LYS  25           HG1      LYS  25   6.568  -6.926  -2.211
  196   1HD   LYS  25           HD2      LYS  25   6.086  -8.727  -3.776
  197   2HD   LYS  25           HD1      LYS  25   7.760  -8.709  -4.336
  198   1HE   LYS  25           HE2      LYS  25   6.898  -9.293  -1.506
  199   2HE   LYS  25           HE1      LYS  25   7.276 -10.520  -2.714
  200   1HZ   LYS  25           HZ3      LYS  25   9.195  -8.425  -1.863
  201   2HZ   LYS  25           HZ2      LYS  25   9.123  -9.963  -1.161
  202   3HZ   LYS  25           HZ1      LYS  25   9.516  -9.799  -2.801
  203    H    CYS  26           HN       CYS  26   4.475  -4.110  -4.134
  204    HA   CYS  26           HA       CYS  26   3.770  -4.280  -1.294
  205   1HB   CYS  26           HB2      CYS  26   2.165  -2.369  -1.705
  206   2HB   CYS  26           HB1      CYS  26   3.867  -1.940  -1.652
  207    H    HIS  27           HN       HIS  27   1.989  -5.396  -0.863
  208    HA   HIS  27           HA       HIS  27   0.275  -6.166  -3.114
  209   1HB   HIS  27           HB2      HIS  27  -0.530  -8.017  -1.759
  210   2HB   HIS  27           HB1      HIS  27   1.225  -8.045  -1.794
  211    HD1  HIS  27           HD1      HIS  27   2.436  -7.237   0.446
  212    HD2  HIS  27           HD2      HIS  27  -1.651  -7.937   0.738
  213    HE1  HIS  27           HE1      HIS  27   1.960  -7.427   2.905
  214    HE2  HIS  27           HE2      HIS  27  -0.478  -8.041   3.050
  215    H    CYS  28           HN       CYS  28  -1.578  -5.172  -3.335
  216    HA   CYS  28           HA       CYS  28  -2.713  -3.789  -0.997
  217   1HB   CYS  28           HB2      CYS  28  -3.163  -3.010  -3.879
  218   2HB   CYS  28           HB1      CYS  28  -3.477  -2.061  -2.430
  219    H    THR  29           HN       THR  29  -4.797  -4.142  -0.481
  220    HA   THR  29           HA       THR  29  -6.161  -6.222  -2.047
  221    HB   THR  29           HB       THR  29  -7.351  -6.767   0.067
  222    HG1  THR  29           HG1      THR  29  -6.773  -5.745   1.956
  223   1HG2  THR  29          3HG2      THR  29  -5.302  -7.974  -0.540
  224   2HG2  THR  29          2HG2      THR  29  -4.332  -6.754   0.290
  225   3HG2  THR  29          1HG2      THR  29  -5.431  -7.788   1.209
  226    HA   PRO  30           HA       PRO  30  -8.889  -2.735  -2.801
  227   1HB   PRO  30           HB2      PRO  30  -9.824  -3.947  -5.167
  228   2HB   PRO  30           HB1      PRO  30  -8.539  -2.747  -5.029
  229   1HG   PRO  30           HG2      PRO  30  -8.236  -5.419  -5.823
  230   2HG   PRO  30           HG1      PRO  30  -6.937  -4.304  -5.372
  231   1HD   PRO  30           HD2      PRO  30  -8.246  -6.447  -3.765
  232   2HD   PRO  30           HD1      PRO  30  -6.568  -5.860  -3.723
  233    H    LYS  31           HN       LYS  31 -11.245  -2.656  -3.723
  234    HA   LYS  31           HA       LYS  31 -12.840  -5.010  -3.248
  235   1HB   LYS  31           HB2      LYS  31 -12.557  -3.602  -1.024
  236   2HB   LYS  31           HB1      LYS  31 -13.774  -2.581  -1.778
  237   1HG   LYS  31           HG2      LYS  31 -14.884  -4.122  -0.344
  238   2HG   LYS  31           HG1      LYS  31 -15.219  -4.597  -2.012
  239   1HD   LYS  31           HD2      LYS  31 -14.698  -6.542  -0.609
  240   2HD   LYS  31           HD1      LYS  31 -13.491  -6.317  -1.877
  241   1HE   LYS  31           HE2      LYS  31 -12.073  -5.115  -0.207
  242   2HE   LYS  31           HE1      LYS  31 -13.239  -5.569   1.033
  243   1HZ   LYS  31           HZ1      LYS  31 -11.876  -7.563  -0.684
  244   2HZ   LYS  31           HZ3      LYS  31 -11.236  -7.036   0.796
  245   3HZ   LYS  31           HZ2      LYS  31 -12.730  -7.835   0.758

  No H/Q in entry =         245
  Start of MODEL   17
    1    H1   CYS   1           HT1      CYS   1   7.649   1.190  -5.490
    2    H2   CYS   1           HT3      CYS   1   6.915   2.714  -5.415
    3    H3   CYS   1           HT2      CYS   1   8.603   2.585  -5.368
    4    HA   CYS   1           HA       CYS   1   7.801   3.033  -3.176
    5   1HB   CYS   1           HB2      CYS   1   6.198   1.629  -2.083
    6   2HB   CYS   1           HB1      CYS   1   5.515   2.078  -3.642
    7    H    LYS   2           HN       LYS   2   8.772   2.086  -1.322
    8    HA   LYS   2           HA       LYS   2   9.979  -0.557  -1.653
    9   1HB   LYS   2           HB2      LYS   2  12.131   0.195  -0.814
   10   2HB   LYS   2           HB1      LYS   2  11.708   1.102  -2.258
   11   1HG   LYS   2           HG2      LYS   2  10.800   2.868  -0.622
   12   2HG   LYS   2           HG1      LYS   2  11.757   2.012   0.587
   13   1HD   LYS   2           HD2      LYS   2  13.073   3.818  -0.283
   14   2HD   LYS   2           HD1      LYS   2  13.746   2.300  -0.887
   15   1HE   LYS   2           HE2      LYS   2  12.722   2.615  -3.018
   16   2HE   LYS   2           HE1      LYS   2  11.796   3.998  -2.433
   17   1HZ   LYS   2           HZ2      LYS   2  13.928   5.157  -2.083
   18   2HZ   LYS   2           HZ1      LYS   2  14.742   3.847  -2.793
   19   3HZ   LYS   2           HZ3      LYS   2  13.647   4.767  -3.711
   20    H    ILE   3           HN       ILE   3   8.442   1.819   0.233
   21    HA   ILE   3           HA       ILE   3   8.625   0.103   2.625
   22    HB   ILE   3           HB       ILE   3   8.036   2.996   2.892
   23   1HG1  ILE   3          2HG1      ILE   3  10.832   1.888   2.625
   24   2HG1  ILE   3          1HG1      ILE   3  10.039   3.002   1.516
   25   1HG2  ILE   3          2HG2      ILE   3   9.432   0.980   4.637
   26   2HG2  ILE   3          1HG2      ILE   3   9.165   2.670   5.068
   27   3HG2  ILE   3          3HG2      ILE   3   7.790   1.593   4.827
   28   1HD1  ILE   3          1HD1      ILE   3   9.971   4.700   3.271
   29   2HD1  ILE   3          3HD1      ILE   3  10.778   3.586   4.374
   30   3HD1  ILE   3          2HD1      ILE   3  11.619   4.164   2.936
   31    H    SER   4           HN       SER   4   6.696   0.008   3.914
   32    HA   SER   4           HA       SER   4   4.410  -0.528   2.667
   33   1HB   SER   4           HB2      SER   4   4.575   0.696   5.416
   34   2HB   SER   4           HB1      SER   4   3.328  -0.380   4.803
   35    HG   SER   4           HG       SER   4   4.766  -1.596   5.993
   36    H    ARG   5           HN       ARG   5   5.372   2.648   3.762
   37    HA   ARG   5           HA       ARG   5   2.908   3.952   3.842
   38   1HB   ARG   5           HB2      ARG   5   5.542   5.209   3.072
   39   2HB   ARG   5           HB1      ARG   5   4.157   6.005   3.801
   40   1HG   ARG   5           HG2      ARG   5   4.522   4.945   5.878
   41   2HG   ARG   5           HG1      ARG   5   5.704   3.833   5.178
   42   1HD   ARG   5           HD2      ARG   5   7.223   5.655   4.748
   43   2HD   ARG   5           HD1      ARG   5   6.029   6.825   5.307
   44    HE   ARG   5           HE       ARG   5   6.476   5.028   7.391
   45   1HH1  ARG   5          1HH1      ARG   5   8.338   7.344   5.544
   46   2HH1  ARG   5          2HH1      ARG   5   9.334   7.814   6.889
   47   1HH2  ARG   5          1HH2      ARG   5   7.790   5.623   9.164
   48   2HH2  ARG   5          2HH2      ARG   5   9.006   6.842   8.960
   49    H    GLN   6           HN       GLN   6   5.169   3.467   1.195
   50    HA   GLN   6           HA       GLN   6   4.036   5.504  -0.454
   51   1HB   GLN   6           HB2      GLN   6   5.952   3.296  -1.155
   52   2HB   GLN   6           HB1      GLN   6   5.655   4.738  -2.112
   53   1HG   GLN   6           HG2      GLN   6   6.566   6.101  -0.317
   54   2HG   GLN   6           HG1      GLN   6   6.810   4.652   0.659
   55   1HE2  GLN   6          1HE2      GLN   6   7.979   6.552  -1.969
   56   2HE2  GLN   6          2HE2      GLN   6   9.456   5.681  -2.206
   57    H    CYS   7           HN       CYS   7   2.931   2.437   0.241
   58    HA   CYS   7           HA       CYS   7   1.200   2.594  -2.137
   59   1HB   CYS   7           HB2      CYS   7   2.462   0.155  -0.922
   60   2HB   CYS   7           HB1      CYS   7   0.932   0.031  -1.785
   61    H    LEU   8           HN       LEU   8   1.397   2.915   1.107
   62    HA   LEU   8           HA       LEU   8  -0.941   1.513   1.939
   63   1HB   LEU   8           HB2      LEU   8   0.841   2.095   3.512
   64   2HB   LEU   8           HB1      LEU   8   0.540   3.801   3.241
   65    HG   LEU   8           HG       LEU   8  -1.699   3.566   4.230
   66   1HD1  LEU   8          3HD1      LEU   8  -2.104   1.219   3.670
   67   2HD1  LEU   8          2HD1      LEU   8  -0.841   0.730   4.800
   68   3HD1  LEU   8          1HD1      LEU   8  -2.306   1.506   5.399
   69   1HD2  LEU   8          3HD2      LEU   8   0.553   2.536   5.948
   70   2HD2  LEU   8          2HD2      LEU   8   0.157   4.228   5.643
   71   3HD2  LEU   8          1HD2      LEU   8  -0.965   3.209   6.546
   72    H    LYS   9           HN       LYS   9  -0.266   4.990   1.524
   73    HA   LYS   9           HA       LYS   9  -3.052   5.588   1.665
   74   1HB   LYS   9           HB2      LYS   9  -2.489   7.839   1.595
   75   2HB   LYS   9           HB1      LYS   9  -1.229   7.069   2.511
   76   1HG   LYS   9           HG2      LYS   9  -0.053   8.560   1.277
   77   2HG   LYS   9           HG1      LYS   9   0.046   7.142   0.259
   78   1HD   LYS   9           HD2      LYS   9  -0.469   9.074  -1.106
   79   2HD   LYS   9           HD1      LYS   9  -1.862   7.990  -1.067
   80   1HE   LYS   9           HE2      LYS   9  -2.608  10.274  -0.801
   81   2HE   LYS   9           HE1      LYS   9  -2.864   9.390   0.703
   82   1HZ   LYS   9           HZ1      LYS   9  -0.660  10.353   1.432
   83   2HZ   LYS   9           HZ3      LYS   9  -0.770  11.394   0.096
   84   3HZ   LYS   9           HZ2      LYS   9  -1.947  11.441   1.313
   85    HA   PRO  10           HA       PRO  10  -2.406   6.425  -3.106
   86   1HB   PRO  10           HB2      PRO  10  -0.514   4.222  -3.714
   87   2HB   PRO  10           HB1      PRO  10  -0.553   5.876  -4.341
   88   1HG   PRO  10           HG2      PRO  10   1.301   5.181  -2.588
   89   2HG   PRO  10           HG1      PRO  10   0.478   6.748  -2.426
   90   1HD   PRO  10           HD2      PRO  10  -0.082   4.179  -0.969
   91   2HD   PRO  10           HD1      PRO  10   0.107   5.809  -0.294
   92    H    CYS  11           HN       CYS  11  -2.039   3.034  -1.997
   93    HA   CYS  11           HA       CYS  11  -3.705   2.037  -4.073
   94   1HB   CYS  11           HB2      CYS  11  -2.635   0.796  -1.558
   95   2HB   CYS  11           HB1      CYS  11  -3.774  -0.062  -2.595
   96    H    LYS  12           HN       LYS  12  -4.347   2.893  -0.679
   97    HA   LYS  12           HA       LYS  12  -7.016   1.984  -0.671
   98   1HB   LYS  12           HB2      LYS  12  -5.869   4.322   0.863
   99   2HB   LYS  12           HB1      LYS  12  -7.383   3.496   1.210
  100   1HG   LYS  12           HG2      LYS  12  -6.131   1.434   1.682
  101   2HG   LYS  12           HG1      LYS  12  -4.624   2.307   1.390
  102   1HD   LYS  12           HD2      LYS  12  -6.658   3.003   3.513
  103   2HD   LYS  12           HD1      LYS  12  -5.134   2.155   3.791
  104   1HE   LYS  12           HE2      LYS  12  -3.878   4.077   3.055
  105   2HE   LYS  12           HE1      LYS  12  -5.358   4.916   2.603
  106   1HZ   LYS  12           HZ3      LYS  12  -4.603   4.135   5.371
  107   2HZ   LYS  12           HZ2      LYS  12  -4.487   5.694   4.720
  108   3HZ   LYS  12           HZ1      LYS  12  -6.010   4.971   4.922
  109    H    ASP  13           HN       ASP  13  -5.518   4.958  -1.734
  110    HA   ASP  13           HA       ASP  13  -7.884   6.379  -2.370
  111   1HB   ASP  13           HB2      ASP  13  -5.852   7.614  -2.170
  112   2HB   ASP  13           HB1      ASP  13  -5.034   6.590  -3.345
  113    H    ALA  14           HN       ALA  14  -5.978   3.996  -4.048
  114    HA   ALA  14           HA       ALA  14  -7.115   4.426  -6.632
  115   1HB   ALA  14           HB2      ALA  14  -5.616   2.034  -5.572
  116   2HB   ALA  14           HB3      ALA  14  -4.884   3.453  -6.321
  117   3HB   ALA  14           HB1      ALA  14  -5.936   2.397  -7.267
  118    H    GLY  15           HN       GLY  15  -7.958   2.512  -3.862
  119   1HA   GLY  15           HA1      GLY  15 -10.010   1.100  -5.446
  120   2HA   GLY  15           HA2      GLY  15 -10.452   1.961  -3.981
  121    H    MET  16           HN       MET  16  -7.839   1.135  -2.763
  122    HA   MET  16           HA       MET  16  -8.531  -1.660  -2.150
  123   1HB   MET  16           HB2      MET  16  -5.932  -0.139  -1.942
  124   2HB   MET  16           HB1      MET  16  -6.184  -1.672  -1.122
  125   1HG   MET  16           HG2      MET  16  -5.011  -2.096  -3.131
  126   2HG   MET  16           HG1      MET  16  -6.651  -2.708  -3.327
  127   1HE   MET  16           HE1      MET  16  -4.650  -2.313  -5.769
  128   2HE   MET  16           HE3      MET  16  -6.304  -2.891  -5.960
  129   3HE   MET  16           HE2      MET  16  -5.714  -1.563  -6.960
  130    H    ARG  17           HN       ARG  17  -8.466  -2.301   0.096
  131    HA   ARG  17           HA       ARG  17  -9.284  -0.201   1.906
  132   1HB   ARG  17           HB2      ARG  17  -8.823  -3.141   2.433
  133   2HB   ARG  17           HB1      ARG  17  -9.537  -1.991   3.554
  134   1HG   ARG  17           HG2      ARG  17 -11.352  -1.605   1.891
  135   2HG   ARG  17           HG1      ARG  17 -10.676  -2.924   0.936
  136   1HD   ARG  17           HD2      ARG  17 -11.736  -3.102   3.751
  137   2HD   ARG  17           HD1      ARG  17 -12.512  -3.727   2.298
  138    HE   ARG  17           HE       ARG  17  -9.951  -4.755   3.348
  139   1HH1  ARG  17          1HH1      ARG  17 -13.051  -5.212   1.803
  140   2HH1  ARG  17          2HH1      ARG  17 -12.902  -6.941   1.723
  141   1HH2  ARG  17          1HH2      ARG  17  -9.741  -7.041   3.248
  142   2HH2  ARG  17          2HH2      ARG  17 -11.034  -7.986   2.552
  143    H    PHE  18           HN       PHE  18  -6.528  -2.345   1.445
  144    HA   PHE  18           HA       PHE  18  -4.890  -0.536   3.055
  145   1HB   PHE  18           HB2      PHE  18  -4.868  -3.540   3.449
  146   2HB   PHE  18           HB1      PHE  18  -3.840  -2.378   4.275
  147    HD1  PHE  18           HD1      PHE  18  -4.876  -0.762   5.870
  148    HD2  PHE  18           HD2      PHE  18  -7.018  -4.061   4.246
  149    HE1  PHE  18           HE1      PHE  18  -6.535  -0.566   7.674
  150    HE2  PHE  18           HE2      PHE  18  -8.683  -3.871   6.048
  151    HZ   PHE  18           HZ       PHE  18  -8.462  -2.151   7.751
  152    H    GLY  19           HN       GLY  19  -2.499  -1.367   2.868
  153   1HA   GLY  19           HA1      GLY  19  -1.797  -1.426   0.123
  154   2HA   GLY  19           HA2      GLY  19  -1.652  -3.037   0.818
  155    H    LYS  20           HN       LYS  20   0.299  -3.527   1.567
  156    HA   LYS  20           HA       LYS  20   1.955  -1.289   2.533
  157   1HB   LYS  20           HB2      LYS  20   2.107  -4.182   3.417
  158   2HB   LYS  20           HB1      LYS  20   3.114  -2.870   4.004
  159   1HG   LYS  20           HG2      LYS  20   1.572  -3.086   5.693
  160   2HG   LYS  20           HG1      LYS  20   0.854  -1.803   4.717
  161   1HD   LYS  20           HD2      LYS  20  -0.626  -3.402   3.652
  162   2HD   LYS  20           HD1      LYS  20   0.141  -4.731   4.521
  163   1HE   LYS  20           HE2      LYS  20  -0.577  -3.633   6.656
  164   2HE   LYS  20           HE1      LYS  20  -1.501  -2.488   5.684
  165   1HZ   LYS  20           HZ1      LYS  20  -1.877  -5.436   5.670
  166   2HZ   LYS  20           HZ3      LYS  20  -2.866  -4.330   6.493
  167   3HZ   LYS  20           HZ2      LYS  20  -2.798  -4.313   4.800
  168    H    CYS  21           HN       CYS  21   3.854  -0.968   1.562
  169    HA   CYS  21           HA       CYS  21   4.758  -2.929  -0.416
  170   1HB   CYS  21           HB2      CYS  21   4.494  -0.559  -1.128
  171   2HB   CYS  21           HB1      CYS  21   5.722  -0.096   0.043
  172    H    MET  22           HN       MET  22   6.618  -4.064  -0.180
  173    HA   MET  22           HA       MET  22   8.568  -3.082   1.774
  174   1HB   MET  22           HB2      MET  22   6.879  -5.074   2.514
  175   2HB   MET  22           HB1      MET  22   8.149  -6.026   1.764
  176   1HG   MET  22           HG2      MET  22   8.509  -4.060   4.016
  177   2HG   MET  22           HG1      MET  22   8.479  -5.814   4.166
  178   1HE   MET  22           HE2      MET  22  10.809  -3.960   5.328
  179   2HE   MET  22           HE1      MET  22  10.796  -5.717   5.494
  180   3HE   MET  22           HE3      MET  22  12.233  -4.902   4.879
  181    H    ASN  23           HN       ASN  23  10.603  -3.293   1.060
  182    HA   ASN  23           HA       ASN  23  12.440  -3.947  -0.079
  183   1HB   ASN  23           HB2      ASN  23  10.682  -6.231  -0.931
  184   2HB   ASN  23           HB1      ASN  23  12.323  -6.041  -1.536
  185   1HD2  ASN  23          1HD2      ASN  23  13.215  -4.886   1.043
  186   2HD2  ASN  23          2HD2      ASN  23  13.354  -6.236   2.116
  187    H    GLY  24           HN       GLY  24   9.470  -3.810  -1.960
  188   1HA   GLY  24           HA1      GLY  24  10.839  -3.353  -4.439
  189   2HA   GLY  24           HA2      GLY  24  10.290  -1.856  -3.703
  190    H    LYS  25           HN       LYS  25   8.306  -4.565  -3.044
  191    HA   LYS  25           HA       LYS  25   6.353  -3.529  -4.983
  192   1HB   LYS  25           HB2      LYS  25   5.491  -5.825  -5.264
  193   2HB   LYS  25           HB1      LYS  25   7.152  -5.664  -5.813
  194   1HG   LYS  25           HG2      LYS  25   7.985  -6.792  -3.891
  195   2HG   LYS  25           HG1      LYS  25   6.402  -6.744  -3.109
  196   1HD   LYS  25           HD2      LYS  25   5.485  -8.185  -4.860
  197   2HD   LYS  25           HD1      LYS  25   7.061  -8.232  -5.652
  198   1HE   LYS  25           HE2      LYS  25   6.559  -9.186  -2.839
  199   2HE   LYS  25           HE1      LYS  25   6.525 -10.238  -4.253
  200   1HZ   LYS  25           HZ2      LYS  25   8.828  -9.623  -4.703
  201   2HZ   LYS  25           HZ1      LYS  25   8.858  -8.649  -3.317
  202   3HZ   LYS  25           HZ3      LYS  25   8.665 -10.328  -3.169
  203    H    CYS  26           HN       CYS  26   4.150  -3.662  -4.352
  204    HA   CYS  26           HA       CYS  26   3.788  -4.097  -1.466
  205   1HB   CYS  26           HB2      CYS  26   1.948  -2.340  -1.668
  206   2HB   CYS  26           HB1      CYS  26   3.611  -1.778  -1.706
  207    H    HIS  27           HN       HIS  27   2.146  -5.308  -0.804
  208    HA   HIS  27           HA       HIS  27   0.326  -6.417  -2.810
  209   1HB   HIS  27           HB2      HIS  27   0.667  -7.146   0.115
  210   2HB   HIS  27           HB1      HIS  27  -0.373  -7.977  -1.034
  211    HD1  HIS  27           HD1      HIS  27   2.748  -8.365   0.537
  212    HD2  HIS  27           HD2      HIS  27   1.386  -8.951  -3.350
  213    HE1  HIS  27           HE1      HIS  27   4.407  -9.922  -0.538
  214    HE2  HIS  27           HE2      HIS  27   3.455 -10.420  -2.814
  215    H    CYS  28           HN       CYS  28  -1.118  -4.811  -3.197
  216    HA   CYS  28           HA       CYS  28  -2.372  -3.472  -0.935
  217   1HB   CYS  28           HB2      CYS  28  -2.668  -3.041  -3.917
  218   2HB   CYS  28           HB1      CYS  28  -3.421  -2.048  -2.669
  219    H    THR  29           HN       THR  29  -4.246  -4.071  -0.130
  220    HA   THR  29           HA       THR  29  -5.607  -6.329  -1.368
  221    HB   THR  29           HB       THR  29  -6.811  -6.357   0.894
  222    HG1  THR  29           HG1      THR  29  -5.071  -5.217   2.406
  223   1HG2  THR  29          1HG2      THR  29  -3.809  -6.715   0.807
  224   2HG2  THR  29          3HG2      THR  29  -4.888  -7.411   2.017
  225   3HG2  THR  29          2HG2      THR  29  -5.016  -7.912   0.332
  226    HA   PRO  30           HA       PRO  30  -8.309  -3.238  -3.152
  227   1HB   PRO  30           HB2      PRO  30  -9.699  -5.712  -4.051
  228   2HB   PRO  30           HB1      PRO  30  -9.158  -4.313  -4.990
  229   1HG   PRO  30           HG2      PRO  30  -7.782  -6.555  -5.136
  230   2HG   PRO  30           HG1      PRO  30  -6.925  -5.004  -4.967
  231   1HD   PRO  30           HD2      PRO  30  -7.559  -7.041  -2.844
  232   2HD   PRO  30           HD1      PRO  30  -6.017  -6.219  -3.179
  233    H    LYS  31           HN       LYS  31 -10.460  -2.595  -3.073
  234    HA   LYS  31           HA       LYS  31 -11.762  -3.369  -0.575
  235   1HB   LYS  31           HB2      LYS  31 -11.133  -0.995  -1.036
  236   2HB   LYS  31           HB1      LYS  31 -12.256  -1.001  -2.385
  237   1HG   LYS  31           HG2      LYS  31 -14.123  -1.260  -0.913
  238   2HG   LYS  31           HG1      LYS  31 -13.053  -1.487   0.475
  239   1HD   LYS  31           HD2      LYS  31 -13.254   1.018  -1.203
  240   2HD   LYS  31           HD1      LYS  31 -13.952   0.795   0.404
  241   1HE   LYS  31           HE2      LYS  31 -11.791   0.585   1.395
  242   2HE   LYS  31           HE1      LYS  31 -11.012   0.514  -0.185
  243   1HZ   LYS  31           HZ2      LYS  31 -12.514   2.879   0.797
  244   2HZ   LYS  31           HZ1      LYS  31 -10.842   2.694   0.966
  245   3HZ   LYS  31           HZ3      LYS  31 -11.528   2.785  -0.583

  No H/Q in entry =         245
  Start of MODEL   18
    1    H1   CYS   1           HT1      CYS   1   7.662   0.955  -5.335
    2    H2   CYS   1           HT3      CYS   1   6.745   2.382  -5.329
    3    H3   CYS   1           HT2      CYS   1   8.436   2.464  -5.266
    4    HA   CYS   1           HA       CYS   1   7.566   2.899  -3.097
    5   1HB   CYS   1           HB2      CYS   1   6.108   1.401  -1.967
    6   2HB   CYS   1           HB1      CYS   1   5.423   1.627  -3.572
    7    H    LYS   2           HN       LYS   2   8.826   2.382  -1.363
    8    HA   LYS   2           HA       LYS   2  10.377  -0.117  -1.494
    9   1HB   LYS   2           HB2      LYS   2  11.226   2.555  -0.349
   10   2HB   LYS   2           HB1      LYS   2  12.158   1.068  -0.246
   11   1HG   LYS   2           HG2      LYS   2  12.394   1.027  -2.666
   12   2HG   LYS   2           HG1      LYS   2  11.418   2.492  -2.794
   13   1HD   LYS   2           HD2      LYS   2  13.974   2.348  -1.210
   14   2HD   LYS   2           HD1      LYS   2  13.915   2.834  -2.905
   15   1HE   LYS   2           HE2      LYS   2  12.109   4.180  -0.953
   16   2HE   LYS   2           HE1      LYS   2  13.815   4.620  -0.972
   17   1HZ   LYS   2           HZ1      LYS   2  12.191   4.609  -3.448
   18   2HZ   LYS   2           HZ3      LYS   2  12.249   5.963  -2.430
   19   3HZ   LYS   2           HZ2      LYS   2  13.668   5.389  -3.156
   20    H    ILE   3           HN       ILE   3   8.395   2.050   0.315
   21    HA   ILE   3           HA       ILE   3   8.541   0.303   2.682
   22    HB   ILE   3           HB       ILE   3   7.914   3.183   2.997
   23   1HG1  ILE   3          2HG1      ILE   3  10.735   2.129   2.756
   24   2HG1  ILE   3          1HG1      ILE   3   9.935   3.208   1.615
   25   1HG2  ILE   3          2HG2      ILE   3   9.375   1.172   4.702
   26   2HG2  ILE   3          1HG2      ILE   3   9.024   2.835   5.173
   27   3HG2  ILE   3          3HG2      ILE   3   7.702   1.698   4.904
   28   1HD1  ILE   3          3HD1      ILE   3  10.579   3.857   4.484
   29   2HD1  ILE   3          2HD1      ILE   3  11.479   4.407   3.069
   30   3HD1  ILE   3          1HD1      ILE   3   9.813   4.935   3.315
   31    H    SER   4           HN       SER   4   6.586   0.286   3.971
   32    HA   SER   4           HA       SER   4   4.338  -0.386   2.755
   33   1HB   SER   4           HB2      SER   4   4.297   1.123   5.351
   34   2HB   SER   4           HB1      SER   4   3.256  -0.195   4.838
   35    HG   SER   4           HG       SER   4   5.581  -0.338   6.127
   36    H    ARG   5           HN       ARG   5   5.133   2.917   3.633
   37    HA   ARG   5           HA       ARG   5   2.527   3.978   3.359
   38   1HB   ARG   5           HB2      ARG   5   3.679   6.186   3.409
   39   2HB   ARG   5           HB1      ARG   5   4.131   5.118   4.731
   40   1HG   ARG   5           HG2      ARG   5   6.177   4.504   3.477
   41   2HG   ARG   5           HG1      ARG   5   5.738   5.691   2.251
   42   1HD   ARG   5           HD2      ARG   5   6.209   6.314   5.161
   43   2HD   ARG   5           HD1      ARG   5   7.400   6.528   3.880
   44    HE   ARG   5           HE       ARG   5   4.824   7.973   3.903
   45   1HH1  ARG   5          1HH1      ARG   5   8.318   7.915   3.588
   46   2HH1  ARG   5          2HH1      ARG   5   8.440   9.594   3.175
   47   1HH2  ARG   5          1HH2      ARG   5   4.991  10.196   3.370
   48   2HH2  ARG   5          2HH2      ARG   5   6.549  10.884   3.021
   49    H    GLN   6           HN       GLN   6   5.078   3.422   1.050
   50    HA   GLN   6           HA       GLN   6   4.186   5.460  -0.776
   51   1HB   GLN   6           HB2      GLN   6   6.186   3.260  -1.265
   52   2HB   GLN   6           HB1      GLN   6   6.025   4.766  -2.163
   53   1HG   GLN   6           HG2      GLN   6   6.590   5.983  -0.069
   54   2HG   GLN   6           HG1      GLN   6   6.901   4.423   0.690
   55   1HE2  GLN   6          1HE2      GLN   6   8.015   6.799  -1.540
   56   2HE2  GLN   6          2HE2      GLN   6   9.587   6.123  -1.805
   57    H    CYS   7           HN       CYS   7   2.898   2.513  -0.096
   58    HA   CYS   7           HA       CYS   7   1.531   2.587  -2.701
   59   1HB   CYS   7           HB2      CYS   7   2.487   0.191  -1.177
   60   2HB   CYS   7           HB1      CYS   7   1.048   0.065  -2.180
   61    H    LEU   8           HN       LEU   8   1.325   2.938   0.606
   62    HA   LEU   8           HA       LEU   8  -1.212   1.832   1.147
   63   1HB   LEU   8           HB2      LEU   8   0.391   2.473   2.903
   64   2HB   LEU   8           HB1      LEU   8   0.168   4.161   2.486
   65    HG   LEU   8           HG       LEU   8  -2.202   4.001   3.162
   66   1HD1  LEU   8          3HD1      LEU   8  -1.443   1.200   3.985
   67   2HD1  LEU   8          2HD1      LEU   8  -2.946   2.015   4.416
   68   3HD1  LEU   8          1HD1      LEU   8  -2.593   1.654   2.727
   69   1HD2  LEU   8          2HD2      LEU   8  -0.228   3.099   5.254
   70   2HD2  LEU   8          1HD2      LEU   8  -0.534   4.765   4.762
   71   3HD2  LEU   8          3HD2      LEU   8  -1.797   3.838   5.573
   72    H    LYS   9           HN       LYS   9  -0.218   5.158   0.373
   73    HA   LYS   9           HA       LYS   9  -2.908   6.100   0.176
   74   1HB   LYS   9           HB2      LYS   9  -0.849   7.528  -1.394
   75   2HB   LYS   9           HB1      LYS   9  -2.025   8.155  -0.252
   76   1HG   LYS   9           HG2      LYS   9   0.535   6.754   0.433
   77   2HG   LYS   9           HG1      LYS   9   0.250   8.498   0.519
   78   1HD   LYS   9           HD2      LYS   9  -1.504   8.135   2.195
   79   2HD   LYS   9           HD1      LYS   9  -1.229   6.395   2.112
   80   1HE   LYS   9           HE2      LYS   9  -0.110   7.264   4.046
   81   2HE   LYS   9           HE1      LYS   9   1.102   6.778   2.860
   82   1HZ   LYS   9           HZ1      LYS   9   1.319   9.103   2.198
   83   2HZ   LYS   9           HZ3      LYS   9   0.172   9.557   3.364
   84   3HZ   LYS   9           HZ2      LYS   9   1.655   8.897   3.846
   85    HA   PRO  10           HA       PRO  10  -2.026   5.876  -4.613
   86   1HB   PRO  10           HB2      PRO  10  -0.018   3.710  -4.765
   87   2HB   PRO  10           HB1      PRO  10  -0.100   5.246  -5.622
   88   1HG   PRO  10           HG2      PRO  10   1.679   4.852  -3.687
   89   2HG   PRO  10           HG1      PRO  10   0.892   6.424  -3.931
   90   1HD   PRO  10           HD2      PRO  10   0.320   4.309  -1.901
   91   2HD   PRO  10           HD1      PRO  10   0.351   6.075  -1.717
   92    H    CYS  11           HN       CYS  11  -2.081   3.000  -2.557
   93    HA   CYS  11           HA       CYS  11  -3.863   1.754  -4.544
   94   1HB   CYS  11           HB2      CYS  11  -2.377   0.581  -2.202
   95   2HB   CYS  11           HB1      CYS  11  -3.649  -0.289  -3.045
   96    H    LYS  12           HN       LYS  12  -3.672   2.271  -1.002
   97    HA   LYS  12           HA       LYS  12  -6.276   1.171  -0.640
   98   1HB   LYS  12           HB2      LYS  12  -4.683   0.917   1.128
   99   2HB   LYS  12           HB1      LYS  12  -4.423   2.652   1.229
  100   1HG   LYS  12           HG2      LYS  12  -7.151   1.591   1.715
  101   2HG   LYS  12           HG1      LYS  12  -5.921   1.376   2.968
  102   1HD   LYS  12           HD2      LYS  12  -5.512   3.801   2.964
  103   2HD   LYS  12           HD1      LYS  12  -6.753   4.008   1.728
  104   1HE   LYS  12           HE2      LYS  12  -8.436   3.132   3.274
  105   2HE   LYS  12           HE1      LYS  12  -7.194   2.926   4.510
  106   1HZ   LYS  12           HZ3      LYS  12  -6.807   5.329   4.436
  107   2HZ   LYS  12           HZ2      LYS  12  -8.051   5.505   3.299
  108   3HZ   LYS  12           HZ1      LYS  12  -8.406   4.971   4.869
  109    H    ASP  13           HN       ASP  13  -4.973   4.453  -0.528
  110    HA   ASP  13           HA       ASP  13  -7.474   5.656   0.099
  111   1HB   ASP  13           HB2      ASP  13  -5.220   6.662   0.561
  112   2HB   ASP  13           HB1      ASP  13  -5.062   6.975  -1.165
  113    H    ALA  14           HN       ALA  14  -5.956   4.601  -2.799
  114    HA   ALA  14           HA       ALA  14  -7.629   6.112  -4.585
  115   1HB   ALA  14           HB2      ALA  14  -5.899   3.704  -5.147
  116   2HB   ALA  14           HB3      ALA  14  -5.379   5.386  -5.248
  117   3HB   ALA  14           HB1      ALA  14  -6.616   4.777  -6.350
  118    H    GLY  15           HN       GLY  15  -7.617   2.849  -3.217
  119   1HA   GLY  15           HA1      GLY  15  -9.940   2.049  -4.732
  120   2HA   GLY  15           HA2      GLY  15 -10.296   2.471  -3.066
  121    H    MET  16           HN       MET  16  -8.150   1.422  -1.708
  122    HA   MET  16           HA       MET  16  -8.647  -1.443  -2.094
  123   1HB   MET  16           HB2      MET  16  -5.906  -0.337  -1.418
  124   2HB   MET  16           HB1      MET  16  -6.338  -2.023  -1.632
  125   1HG   MET  16           HG2      MET  16  -6.588  -0.011  -3.832
  126   2HG   MET  16           HG1      MET  16  -5.092  -0.871  -3.496
  127   1HE   MET  16           HE1      MET  16  -4.989  -1.834  -5.947
  128   2HE   MET  16           HE3      MET  16  -6.338  -2.658  -6.733
  129   3HE   MET  16           HE2      MET  16  -6.460  -0.942  -6.344
  130    H    ARG  17           HN       ARG  17  -8.207  -2.687  -0.141
  131    HA   ARG  17           HA       ARG  17  -8.976  -1.320   2.274
  132   1HB   ARG  17           HB2      ARG  17  -8.208  -4.192   1.692
  133   2HB   ARG  17           HB1      ARG  17  -8.743  -3.623   3.269
  134   1HG   ARG  17           HG2      ARG  17 -10.905  -3.431   2.624
  135   2HG   ARG  17           HG1      ARG  17 -10.495  -3.050   0.952
  136   1HD   ARG  17           HD2      ARG  17 -11.581  -5.248   1.188
  137   2HD   ARG  17           HD1      ARG  17  -9.956  -5.358   0.515
  138    HE   ARG  17           HE       ARG  17 -10.121  -5.727   3.383
  139   1HH1  ARG  17          1HH1      ARG  17 -10.178  -7.229   0.226
  140   2HH1  ARG  17          2HH1      ARG  17  -9.736  -8.803   0.813
  141   1HH2  ARG  17          1HH2      ARG  17  -9.547  -7.791   4.179
  142   2HH2  ARG  17          2HH2      ARG  17  -9.380  -9.129   3.081
  143    H    PHE  18           HN       PHE  18  -6.193  -3.244   1.219
  144    HA   PHE  18           HA       PHE  18  -4.503  -1.666   3.049
  145   1HB   PHE  18           HB2      PHE  18  -4.238  -4.597   2.336
  146   2HB   PHE  18           HB1      PHE  18  -3.048  -3.683   3.249
  147    HD1  PHE  18           HD1      PHE  18  -3.550  -2.908   5.516
  148    HD2  PHE  18           HD2      PHE  18  -6.266  -5.348   3.335
  149    HE1  PHE  18           HE1      PHE  18  -4.742  -3.433   7.598
  150    HE2  PHE  18           HE2      PHE  18  -7.466  -5.876   5.416
  151    HZ   PHE  18           HZ       PHE  18  -6.706  -4.921   7.550
  152    H    GLY  19           HN       GLY  19  -2.147  -1.775   2.341
  153   1HA   GLY  19           HA1      GLY  19  -1.810  -0.609  -0.143
  154   2HA   GLY  19           HA2      GLY  19  -1.529  -2.330  -0.386
  155    H    LYS  20           HN       LYS  20  -0.214  -3.161   1.755
  156    HA   LYS  20           HA       LYS  20   1.764  -1.218   2.599
  157   1HB   LYS  20           HB2      LYS  20   0.802  -2.756   4.231
  158   2HB   LYS  20           HB1      LYS  20   1.384  -4.131   3.307
  159   1HG   LYS  20           HG2      LYS  20   3.687  -3.453   3.750
  160   2HG   LYS  20           HG1      LYS  20   3.099  -2.072   4.680
  161   1HD   LYS  20           HD2      LYS  20   1.970  -3.609   6.223
  162   2HD   LYS  20           HD1      LYS  20   2.593  -4.981   5.306
  163   1HE   LYS  20           HE2      LYS  20   4.237  -2.908   6.755
  164   2HE   LYS  20           HE1      LYS  20   3.936  -4.556   7.302
  165   1HZ   LYS  20           HZ3      LYS  20   5.016  -5.263   5.132
  166   2HZ   LYS  20           HZ2      LYS  20   5.555  -3.662   4.992
  167   3HZ   LYS  20           HZ1      LYS  20   6.036  -4.600   6.314
  168    H    CYS  21           HN       CYS  21   3.727  -1.009   1.797
  169    HA   CYS  21           HA       CYS  21   4.711  -3.042  -0.077
  170   1HB   CYS  21           HB2      CYS  21   4.472  -0.793  -1.038
  171   2HB   CYS  21           HB1      CYS  21   5.514  -0.137   0.217
  172    H    MET  22           HN       MET  22   6.685  -3.959   0.167
  173    HA   MET  22           HA       MET  22   8.470  -2.907   2.228
  174   1HB   MET  22           HB2      MET  22   7.042  -4.797   3.171
  175   2HB   MET  22           HB1      MET  22   7.830  -5.864   2.020
  176   1HG   MET  22           HG2      MET  22   9.386  -4.250   4.013
  177   2HG   MET  22           HG1      MET  22   8.706  -5.825   4.408
  178   1HE   MET  22           HE1      MET  22  11.085  -6.664   5.098
  179   2HE   MET  22           HE3      MET  22  12.502  -6.631   4.049
  180   3HE   MET  22           HE2      MET  22  11.829  -5.124   4.670
  181    H    ASN  23           HN       ASN  23  10.431  -2.695   1.386
  182    HA   ASN  23           HA       ASN  23  12.324  -3.017   0.182
  183   1HB   ASN  23           HB2      ASN  23  12.207  -5.391   0.658
  184   2HB   ASN  23           HB1      ASN  23  11.042  -5.627  -0.637
  185   1HD2  ASN  23          1HD2      ASN  23  13.927  -3.595  -0.766
  186   2HD2  ASN  23          2HD2      ASN  23  14.732  -4.526  -1.983
  187    H    GLY  24           HN       GLY  24   9.833  -4.457  -1.946
  188   1HA   GLY  24           HA1      GLY  24  10.748  -3.493  -4.333
  189   2HA   GLY  24           HA2      GLY  24   9.844  -2.146  -3.661
  190    H    LYS  25           HN       LYS  25   7.978  -4.063  -2.326
  191    HA   LYS  25           HA       LYS  25   6.195  -4.345  -4.590
  192   1HB   LYS  25           HB2      LYS  25   5.696  -6.692  -4.193
  193   2HB   LYS  25           HB1      LYS  25   7.406  -6.502  -4.548
  194   1HG   LYS  25           HG2      LYS  25   7.817  -6.561  -2.063
  195   2HG   LYS  25           HG1      LYS  25   6.122  -7.017  -1.876
  196   1HD   LYS  25           HD2      LYS  25   8.234  -8.527  -3.413
  197   2HD   LYS  25           HD1      LYS  25   7.527  -8.994  -1.867
  198   1HE   LYS  25           HE2      LYS  25   5.346  -9.239  -2.925
  199   2HE   LYS  25           HE1      LYS  25   6.021  -8.719  -4.468
  200   1HZ   LYS  25           HZ1      LYS  25   7.482 -10.666  -4.415
  201   2HZ   LYS  25           HZ3      LYS  25   6.767 -11.170  -2.961
  202   3HZ   LYS  25           HZ2      LYS  25   5.846 -11.106  -4.387
  203    H    CYS  26           HN       CYS  26   4.039  -4.212  -3.985
  204    HA   CYS  26           HA       CYS  26   3.552  -4.064  -1.099
  205   1HB   CYS  26           HB2      CYS  26   1.786  -2.268  -1.781
  206   2HB   CYS  26           HB1      CYS  26   3.475  -1.822  -1.578
  207    H    HIS  27           HN       HIS  27   1.684  -4.860  -0.328
  208    HA   HIS  27           HA       HIS  27   0.062  -6.424  -2.199
  209   1HB   HIS  27           HB2      HIS  27   0.261  -6.493   0.819
  210   2HB   HIS  27           HB1      HIS  27  -0.865  -7.470  -0.118
  211    HD1  HIS  27           HD1      HIS  27   2.440  -7.555   1.310
  212    HD2  HIS  27           HD2      HIS  27   0.595  -9.233  -2.018
  213    HE1  HIS  27           HE1      HIS  27   3.900  -9.484   0.621
  214    HE2  HIS  27           HE2      HIS  27   2.842 -10.391  -1.477
  215    H    CYS  28           HN       CYS  28  -1.217  -4.832  -3.073
  216    HA   CYS  28           HA       CYS  28  -2.916  -3.280  -1.287
  217   1HB   CYS  28           HB2      CYS  28  -3.098  -3.315  -4.295
  218   2HB   CYS  28           HB1      CYS  28  -3.570  -2.036  -3.193
  219    H    THR  29           HN       THR  29  -4.569  -4.387  -0.458
  220    HA   THR  29           HA       THR  29  -5.821  -6.515  -2.009
  221    HB   THR  29           HB       THR  29  -7.106  -6.882   0.162
  222    HG1  THR  29           HG1      THR  29  -5.671  -5.902   1.955
  223   1HG2  THR  29          2HG2      THR  29  -4.092  -7.091   0.195
  224   2HG2  THR  29          1HG2      THR  29  -5.185  -7.962   1.274
  225   3HG2  THR  29          3HG2      THR  29  -5.217  -8.282  -0.460
  226    HA   PRO  30           HA       PRO  30  -8.536  -3.323  -3.540
  227   1HB   PRO  30           HB2      PRO  30  -9.921  -5.746  -4.596
  228   2HB   PRO  30           HB1      PRO  30  -9.436  -4.264  -5.435
  229   1HG   PRO  30           HG2      PRO  30  -7.992  -6.425  -5.786
  230   2HG   PRO  30           HG1      PRO  30  -7.174  -4.877  -5.464
  231   1HD   PRO  30           HD2      PRO  30  -7.750  -7.132  -3.557
  232   2HD   PRO  30           HD1      PRO  30  -6.234  -6.236  -3.806
  233    H    LYS  31           HN       LYS  31 -10.573  -2.534  -3.267
  234    HA   LYS  31           HA       LYS  31 -12.018  -3.498  -0.956
  235   1HB   LYS  31           HB2      LYS  31 -12.289  -1.097  -2.760
  236   2HB   LYS  31           HB1      LYS  31 -13.519  -1.483  -1.566
  237   1HG   LYS  31           HG2      LYS  31 -10.661  -1.241  -0.735
  238   2HG   LYS  31           HG1      LYS  31 -11.641   0.206  -0.989
  239   1HD   LYS  31           HD2      LYS  31 -13.206  -0.470   0.681
  240   2HD   LYS  31           HD1      LYS  31 -12.480  -2.072   0.796
  241   1HE   LYS  31           HE2      LYS  31 -11.857  -0.661   2.691
  242   2HE   LYS  31           HE1      LYS  31 -10.453  -1.118   1.732
  243   1HZ   LYS  31           HZ2      LYS  31 -10.577   1.081   0.661
  244   2HZ   LYS  31           HZ1      LYS  31 -11.846   1.506   1.699
  245   3HZ   LYS  31           HZ3      LYS  31 -10.308   1.176   2.333

  No H/Q in entry =         245
  Start of MODEL   19
    1    H1   CYS   1           HT1      CYS   1   9.063   2.419  -4.686
    2    H2   CYS   1           HT3      CYS   1   8.062   1.080  -4.948
    3    H3   CYS   1           HT2      CYS   1   7.397   2.634  -4.890
    4    HA   CYS   1           HA       CYS   1   7.950   2.850  -2.562
    5   1HB   CYS   1           HB2      CYS   1   6.371   1.260  -1.685
    6   2HB   CYS   1           HB1      CYS   1   5.799   1.780  -3.266
    7    H    LYS   2           HN       LYS   2   9.491   2.502  -1.157
    8    HA   LYS   2           HA       LYS   2  10.843  -0.120  -1.085
    9   1HB   LYS   2           HB2      LYS   2  11.699   2.123   0.681
   10   2HB   LYS   2           HB1      LYS   2  12.677   0.926  -0.157
   11   1HG   LYS   2           HG2      LYS   2  11.326   3.250  -1.505
   12   2HG   LYS   2           HG1      LYS   2  12.998   3.253  -0.948
   13   1HD   LYS   2           HD2      LYS   2  13.572   1.496  -2.474
   14   2HD   LYS   2           HD1      LYS   2  11.878   1.272  -2.925
   15   1HE   LYS   2           HE2      LYS   2  11.796   3.447  -3.931
   16   2HE   LYS   2           HE1      LYS   2  13.420   3.828  -3.347
   17   1HZ   LYS   2           HZ3      LYS   2  14.291   2.055  -4.750
   18   2HZ   LYS   2           HZ2      LYS   2  12.734   1.726  -5.337
   19   3HZ   LYS   2           HZ1      LYS   2  13.468   3.218  -5.668
   20    H    ILE   3           HN       ILE   3   8.458   1.752   0.254
   21    HA   ILE   3           HA       ILE   3   8.413   0.311   2.790
   22    HB   ILE   3           HB       ILE   3   7.682   2.702   3.667
   23   1HG1  ILE   3          2HG1      ILE   3   9.744   3.330   1.558
   24   2HG1  ILE   3          1HG1      ILE   3   8.050   3.809   1.515
   25   1HG2  ILE   3          3HG2      ILE   3   9.380   1.270   4.664
   26   2HG2  ILE   3          2HG2      ILE   3  10.538   1.776   3.433
   27   3HG2  ILE   3          1HG2      ILE   3   9.928   2.945   4.605
   28   1HD1  ILE   3          2HD1      ILE   3  10.073   4.685   3.561
   29   2HD1  ILE   3          1HD1      ILE   3   9.483   5.644   2.204
   30   3HD1  ILE   3          3HD1      ILE   3   8.380   5.176   3.499
   31    H    SER   4           HN       SER   4   6.406   0.352   3.866
   32    HA   SER   4           HA       SER   4   4.188  -0.268   2.546
   33   1HB   SER   4           HB2      SER   4   2.939   0.713   4.619
   34   2HB   SER   4           HB1      SER   4   4.098  -0.601   4.835
   35    HG   SER   4           HG       SER   4   5.567   0.790   5.642
   36    H    ARG   5           HN       ARG   5   5.099   3.040   3.258
   37    HA   ARG   5           HA       ARG   5   2.579   4.243   2.998
   38   1HB   ARG   5           HB2      ARG   5   5.235   5.572   2.475
   39   2HB   ARG   5           HB1      ARG   5   3.747   6.335   3.017
   40   1HG   ARG   5           HG2      ARG   5   3.922   5.425   5.162
   41   2HG   ARG   5           HG1      ARG   5   5.120   4.232   4.649
   42   1HD   ARG   5           HD2      ARG   5   6.670   6.126   4.153
   43   2HD   ARG   5           HD1      ARG   5   5.493   7.211   4.893
   44    HE   ARG   5           HE       ARG   5   5.843   5.453   6.857
   45   1HH1  ARG   5          1HH1      ARG   5   8.169   7.138   4.838
   46   2HH1  ARG   5          2HH1      ARG   5   9.437   7.074   6.030
   47   1HH2  ARG   5          1HH2      ARG   5   7.507   5.346   8.407
   48   2HH2  ARG   5          2HH2      ARG   5   9.048   6.067   8.070
   49    H    GLN   6           HN       GLN   6   5.100   3.635   0.619
   50    HA   GLN   6           HA       GLN   6   4.137   5.575  -1.237
   51   1HB   GLN   6           HB2      GLN   6   6.157   3.360  -1.609
   52   2HB   GLN   6           HB1      GLN   6   5.873   4.675  -2.741
   53   1HG   GLN   6           HG2      GLN   6   6.537   6.264  -0.975
   54   2HG   GLN   6           HG1      GLN   6   6.894   4.894   0.073
   55   1HE2  GLN   6          1HE2      GLN   6   7.905   6.740  -2.666
   56   2HE2  GLN   6          2HE2      GLN   6   9.473   6.025  -2.828
   57    H    CYS   7           HN       CYS   7   2.940   2.576  -0.468
   58    HA   CYS   7           HA       CYS   7   1.419   2.617  -2.987
   59   1HB   CYS   7           HB2      CYS   7   2.394   0.216  -1.452
   60   2HB   CYS   7           HB1      CYS   7   1.012   0.117  -2.538
   61    H    LEU   8           HN       LEU   8   1.402   3.017   0.304
   62    HA   LEU   8           HA       LEU   8  -0.991   1.793   1.102
   63   1HB   LEU   8           HB2      LEU   8   0.735   2.672   2.649
   64   2HB   LEU   8           HB1      LEU   8   0.267   4.302   2.208
   65    HG   LEU   8           HG       LEU   8  -1.985   3.898   3.142
   66   1HD1  LEU   8          3HD1      LEU   8  -2.078   1.477   2.833
   67   2HD1  LEU   8          2HD1      LEU   8  -0.808   1.270   4.040
   68   3HD1  LEU   8          1HD1      LEU   8  -2.378   1.916   4.517
   69   1HD2  LEU   8          3HD2      LEU   8  -0.240   4.927   4.508
   70   2HD2  LEU   8          2HD2      LEU   8  -1.321   3.936   5.486
   71   3HD2  LEU   8          1HD2      LEU   8   0.279   3.332   5.052
   72    H    LYS   9           HN       LYS   9  -0.366   5.198   0.223
   73    HA   LYS   9           HA       LYS   9  -3.155   5.788   0.105
   74   1HB   LYS   9           HB2      LYS   9  -1.402   7.543  -1.443
   75   2HB   LYS   9           HB1      LYS   9  -2.584   7.934  -0.207
   76   1HG   LYS   9           HG2      LYS   9  -0.746   6.806   1.339
   77   2HG   LYS   9           HG1      LYS   9   0.278   7.355   0.007
   78   1HD   LYS   9           HD2      LYS   9  -1.657   9.079   1.554
   79   2HD   LYS   9           HD1      LYS   9   0.089   9.038   1.820
   80   1HE   LYS   9           HE2      LYS   9   0.507   9.934  -0.356
   81   2HE   LYS   9           HE1      LYS   9  -1.185   9.755  -0.815
   82   1HZ   LYS   9           HZ2      LYS   9  -0.199  11.553   1.337
   83   2HZ   LYS   9           HZ1      LYS   9  -0.604  12.048  -0.232
   84   3HZ   LYS   9           HZ3      LYS   9  -1.799  11.417   0.790
   85    HA   PRO  10           HA       PRO  10  -2.172   5.754  -4.750
   86   1HB   PRO  10           HB2      PRO  10  -0.214   3.507  -4.583
   87   2HB   PRO  10           HB1      PRO  10  -0.294   4.858  -5.711
   88   1HG   PRO  10           HG2      PRO  10   1.476   4.873  -3.750
   89   2HG   PRO  10           HG1      PRO  10   0.625   6.359  -4.220
   90   1HD   PRO  10           HD2      PRO  10   0.201   4.589  -1.866
   91   2HD   PRO  10           HD1      PRO  10   0.050   6.353  -1.996
   92    H    CYS  11           HN       CYS  11  -2.284   2.923  -2.609
   93    HA   CYS  11           HA       CYS  11  -4.179   1.703  -4.500
   94   1HB   CYS  11           HB2      CYS  11  -2.732   0.469  -2.153
   95   2HB   CYS  11           HB1      CYS  11  -3.881  -0.375  -3.182
   96    H    LYS  12           HN       LYS  12  -3.829   2.281  -0.966
   97    HA   LYS  12           HA       LYS  12  -6.504   1.356  -0.500
   98   1HB   LYS  12           HB2      LYS  12  -4.813   0.994   1.192
   99   2HB   LYS  12           HB1      LYS  12  -4.532   2.723   1.334
  100   1HG   LYS  12           HG2      LYS  12  -6.862   2.988   2.128
  101   2HG   LYS  12           HG1      LYS  12  -7.028   1.230   2.097
  102   1HD   LYS  12           HD2      LYS  12  -5.256   1.000   3.732
  103   2HD   LYS  12           HD1      LYS  12  -4.957   2.738   3.693
  104   1HE   LYS  12           HE2      LYS  12  -6.245   2.206   5.655
  105   2HE   LYS  12           HE1      LYS  12  -7.255   3.111   4.532
  106   1HZ   LYS  12           HZ1      LYS  12  -7.282   0.155   4.746
  107   2HZ   LYS  12           HZ3      LYS  12  -8.353   1.168   5.579
  108   3HZ   LYS  12           HZ2      LYS  12  -8.369   1.133   3.887
  109    H    ASP  13           HN       ASP  13  -4.912   4.511  -0.329
  110    HA   ASP  13           HA       ASP  13  -7.197   6.020   0.318
  111   1HB   ASP  13           HB2      ASP  13  -5.037   7.024   0.610
  112   2HB   ASP  13           HB1      ASP  13  -4.613   6.748  -1.074
  113    H    ALA  14           HN       ALA  14  -6.095   4.610  -2.630
  114    HA   ALA  14           HA       ALA  14  -7.753   6.196  -4.364
  115   1HB   ALA  14           HB3      ALA  14  -6.314   3.598  -4.891
  116   2HB   ALA  14           HB1      ALA  14  -5.667   5.214  -5.172
  117   3HB   ALA  14           HB2      ALA  14  -7.049   4.642  -6.108
  118    H    GLY  15           HN       GLY  15  -7.882   2.921  -2.974
  119   1HA   GLY  15           HA1      GLY  15 -10.484   2.430  -4.139
  120   2HA   GLY  15           HA2      GLY  15 -10.530   2.792  -2.423
  121    H    MET  16           HN       MET  16  -8.131   1.448  -1.657
  122    HA   MET  16           HA       MET  16  -9.141  -1.293  -1.979
  123   1HB   MET  16           HB2      MET  16  -6.214  -0.613  -1.628
  124   2HB   MET  16           HB1      MET  16  -6.908  -2.209  -1.872
  125   1HG   MET  16           HG2      MET  16  -7.804  -0.967  -4.084
  126   2HG   MET  16           HG1      MET  16  -6.305  -0.082  -3.800
  127   1HE   MET  16           HE2      MET  16  -6.856  -1.701  -6.443
  128   2HE   MET  16           HE1      MET  16  -5.346  -0.845  -6.131
  129   3HE   MET  16           HE3      MET  16  -5.312  -2.524  -6.670
  130    H    ARG  17           HN       ARG  17  -8.350  -2.717  -0.138
  131    HA   ARG  17           HA       ARG  17  -9.113  -1.426   2.315
  132   1HB   ARG  17           HB2      ARG  17  -8.145  -4.248   1.877
  133   2HB   ARG  17           HB1      ARG  17  -9.092  -3.656   3.235
  134   1HG   ARG  17           HG2      ARG  17 -10.994  -3.307   1.859
  135   2HG   ARG  17           HG1      ARG  17 -10.061  -3.616   0.395
  136   1HD   ARG  17           HD2      ARG  17  -9.718  -5.939   1.150
  137   2HD   ARG  17           HD1      ARG  17 -10.733  -5.609   2.556
  138    HE   ARG  17           HE       ARG  17 -11.668  -5.540  -0.245
  139   1HH1  ARG  17          1HH1      ARG  17 -12.193  -6.048   3.159
  140   2HH1  ARG  17          2HH1      ARG  17 -13.865  -6.478   2.983
  141   1HH2  ARG  17          1HH2      ARG  17 -13.874  -6.046  -0.516
  142   2HH2  ARG  17          2HH2      ARG  17 -14.831  -6.473   0.871
  143    H    PHE  18           HN       PHE  18  -6.235  -3.134   1.130
  144    HA   PHE  18           HA       PHE  18  -4.609  -1.510   2.962
  145   1HB   PHE  18           HB2      PHE  18  -4.282  -4.485   2.486
  146   2HB   PHE  18           HB1      PHE  18  -3.162  -3.479   3.394
  147    HD1  PHE  18           HD1      PHE  18  -4.020  -2.338   5.494
  148    HD2  PHE  18           HD2      PHE  18  -6.123  -5.465   3.517
  149    HE1  PHE  18           HE1      PHE  18  -5.315  -2.758   7.545
  150    HE2  PHE  18           HE2      PHE  18  -7.421  -5.895   5.565
  151    HZ   PHE  18           HZ       PHE  18  -7.021  -4.536   7.581
  152    H    GLY  19           HN       GLY  19  -2.246  -1.652   2.301
  153   1HA   GLY  19           HA1      GLY  19  -1.879  -0.734  -0.284
  154   2HA   GLY  19           HA2      GLY  19  -1.557  -2.461  -0.333
  155    H    LYS  20           HN       LYS  20  -0.158  -3.124   1.744
  156    HA   LYS  20           HA       LYS  20   1.767  -1.022   2.363
  157   1HB   LYS  20           HB2      LYS  20   1.482  -3.807   3.506
  158   2HB   LYS  20           HB1      LYS  20   2.675  -2.624   4.025
  159   1HG   LYS  20           HG2      LYS  20   0.652  -1.102   4.499
  160   2HG   LYS  20           HG1      LYS  20  -0.294  -2.591   4.410
  161   1HD   LYS  20           HD2      LYS  20   2.072  -2.145   6.234
  162   2HD   LYS  20           HD1      LYS  20   0.384  -2.010   6.723
  163   1HE   LYS  20           HE2      LYS  20   1.605  -4.515   5.575
  164   2HE   LYS  20           HE1      LYS  20   1.489  -4.183   7.302
  165   1HZ   LYS  20           HZ2      LYS  20  -0.961  -3.955   6.952
  166   2HZ   LYS  20           HZ1      LYS  20  -0.742  -4.550   5.381
  167   3HZ   LYS  20           HZ3      LYS  20  -0.348  -5.521   6.712
  168    H    CYS  21           HN       CYS  21   3.723  -0.900   1.547
  169    HA   CYS  21           HA       CYS  21   4.695  -3.079  -0.141
  170   1HB   CYS  21           HB2      CYS  21   4.577  -0.809  -1.122
  171   2HB   CYS  21           HB1      CYS  21   5.703  -0.239   0.106
  172    H    MET  22           HN       MET  22   6.617  -4.073   0.175
  173    HA   MET  22           HA       MET  22   8.370  -3.112   2.307
  174   1HB   MET  22           HB2      MET  22   6.988  -4.903   3.299
  175   2HB   MET  22           HB1      MET  22   7.484  -5.992   2.010
  176   1HG   MET  22           HG2      MET  22   9.763  -5.940   2.773
  177   2HG   MET  22           HG1      MET  22   9.368  -4.726   3.986
  178   1HE   MET  22           HE1      MET  22   7.821  -5.203   6.100
  179   2HE   MET  22           HE3      MET  22   6.538  -5.783   5.036
  180   3HE   MET  22           HE2      MET  22   7.050  -6.755   6.417
  181    H    ASN  23           HN       ASN  23  10.409  -3.053   1.671
  182    HA   ASN  23           HA       ASN  23  12.324  -3.335   0.501
  183   1HB   ASN  23           HB2      ASN  23  11.021  -5.882  -0.485
  184   2HB   ASN  23           HB1      ASN  23  12.687  -5.425  -0.818
  185   1HD2  ASN  23          1HD2      ASN  23  11.663  -7.746   0.590
  186   2HD2  ASN  23          2HD2      ASN  23  12.350  -7.691   2.180
  187    H    GLY  24           HN       GLY  24  10.049  -4.725  -1.850
  188   1HA   GLY  24           HA1      GLY  24  11.013  -3.664  -4.137
  189   2HA   GLY  24           HA2      GLY  24  10.108  -2.320  -3.459
  190    H    LYS  25           HN       LYS  25   8.177  -4.302  -2.246
  191    HA   LYS  25           HA       LYS  25   6.465  -4.437  -4.593
  192   1HB   LYS  25           HB2      LYS  25   5.833  -6.756  -4.245
  193   2HB   LYS  25           HB1      LYS  25   7.570  -6.659  -4.495
  194   1HG   LYS  25           HG2      LYS  25   8.001  -6.982  -2.169
  195   2HG   LYS  25           HG1      LYS  25   6.286  -6.835  -1.781
  196   1HD   LYS  25           HD2      LYS  25   6.806  -9.149  -1.729
  197   2HD   LYS  25           HD1      LYS  25   5.892  -8.865  -3.210
  198   1HE   LYS  25           HE2      LYS  25   7.755 -10.340  -3.665
  199   2HE   LYS  25           HE1      LYS  25   8.006  -8.794  -4.473
  200   1HZ   LYS  25           HZ1      LYS  25   9.165  -9.337  -1.812
  201   2HZ   LYS  25           HZ3      LYS  25   9.953  -9.822  -3.229
  202   3HZ   LYS  25           HZ2      LYS  25   9.638  -8.181  -2.961
  203    H    CYS  26           HN       CYS  26   4.379  -3.941  -4.086
  204    HA   CYS  26           HA       CYS  26   3.727  -3.920  -1.219
  205   1HB   CYS  26           HB2      CYS  26   1.927  -2.214  -1.975
  206   2HB   CYS  26           HB1      CYS  26   3.589  -1.687  -1.766
  207    H    HIS  27           HN       HIS  27   1.753  -4.616  -0.521
  208    HA   HIS  27           HA       HIS  27   0.286  -6.295  -2.440
  209   1HB   HIS  27           HB2      HIS  27   0.404  -6.487   0.582
  210   2HB   HIS  27           HB1      HIS  27  -0.536  -7.543  -0.468
  211    HD1  HIS  27           HD1      HIS  27   2.303  -7.780   1.446
  212    HD2  HIS  27           HD2      HIS  27   1.584  -8.580  -2.570
  213    HE1  HIS  27           HE1      HIS  27   4.110  -9.383   0.739
  214    HE2  HIS  27           HE2      HIS  27   3.673  -9.836  -1.708
  215    H    CYS  28           HN       CYS  28  -1.199  -4.904  -3.247
  216    HA   CYS  28           HA       CYS  28  -2.826  -3.360  -1.365
  217   1HB   CYS  28           HB2      CYS  28  -2.987  -3.280  -4.380
  218   2HB   CYS  28           HB1      CYS  28  -3.568  -2.086  -3.234
  219    H    THR  29           HN       THR  29  -4.435  -4.456  -0.539
  220    HA   THR  29           HA       THR  29  -5.755  -6.554  -2.054
  221    HB   THR  29           HB       THR  29  -7.086  -6.718   0.179
  222    HG1  THR  29           HG1      THR  29  -5.040  -5.853   1.656
  223   1HG2  THR  29          1HG2      THR  29  -4.140  -7.367   0.051
  224   2HG2  THR  29          3HG2      THR  29  -5.294  -8.083   1.176
  225   3HG2  THR  29          2HG2      THR  29  -5.454  -8.375  -0.556
  226    HA   PRO  30           HA       PRO  30  -8.463  -3.364  -3.639
  227   1HB   PRO  30           HB2      PRO  30  -9.821  -5.826  -4.635
  228   2HB   PRO  30           HB1      PRO  30  -9.360  -4.359  -5.511
  229   1HG   PRO  30           HG2      PRO  30  -7.907  -6.517  -5.828
  230   2HG   PRO  30           HG1      PRO  30  -7.103  -4.953  -5.557
  231   1HD   PRO  30           HD2      PRO  30  -7.623  -7.168  -3.594
  232   2HD   PRO  30           HD1      PRO  30  -6.123  -6.258  -3.879
  233    H    LYS  31           HN       LYS  31 -10.524  -2.616  -3.300
  234    HA   LYS  31           HA       LYS  31 -11.822  -3.612  -0.926
  235   1HB   LYS  31           HB2      LYS  31 -11.567  -1.158  -1.545
  236   2HB   LYS  31           HB1      LYS  31 -12.812  -1.425  -2.757
  237   1HG   LYS  31           HG2      LYS  31 -13.844  -0.489  -0.831
  238   2HG   LYS  31           HG1      LYS  31 -14.328  -2.184  -0.931
  239   1HD   LYS  31           HD2      LYS  31 -13.768  -1.625   1.357
  240   2HD   LYS  31           HD1      LYS  31 -12.570  -2.747   0.712
  241   1HE   LYS  31           HE2      LYS  31 -11.378  -1.075   1.910
  242   2HE   LYS  31           HE1      LYS  31 -11.130  -0.757   0.193
  243   1HZ   LYS  31           HZ1      LYS  31 -12.966   0.904   0.356
  244   2HZ   LYS  31           HZ3      LYS  31 -12.960   0.680   2.037
  245   3HZ   LYS  31           HZ2      LYS  31 -11.590   1.300   1.259

  No H/Q in entry =         245
  Start of MODEL   20
    1    H1   CYS   1           HT3      CYS   1   7.683   0.396  -5.057
    2    H2   CYS   1           HT2      CYS   1   6.721   1.776  -5.279
    3    H3   CYS   1           HT1      CYS   1   8.403   1.931  -5.145
    4    HA   CYS   1           HA       CYS   1   7.344   2.601  -3.100
    5   1HB   CYS   1           HB2      CYS   1   6.024   1.036  -1.810
    6   2HB   CYS   1           HB1      CYS   1   5.324   1.177  -3.416
    7    H    LYS   2           HN       LYS   2   9.013   2.790  -1.812
    8    HA   LYS   2           HA       LYS   2  10.882   0.576  -1.536
    9   1HB   LYS   2           HB2      LYS   2  12.367   2.199  -0.521
   10   2HB   LYS   2           HB1      LYS   2  11.702   2.866  -2.006
   11   1HG   LYS   2           HG2      LYS   2  10.074   4.143  -0.669
   12   2HG   LYS   2           HG1      LYS   2  10.855   3.540   0.796
   13   1HD   LYS   2           HD2      LYS   2  12.982   4.529   0.014
   14   2HD   LYS   2           HD1      LYS   2  12.125   5.212  -1.367
   15   1HE   LYS   2           HE2      LYS   2  10.681   6.465   0.191
   16   2HE   LYS   2           HE1      LYS   2  11.614   5.819   1.543
   17   1HZ   LYS   2           HZ3      LYS   2  13.600   6.858   0.555
   18   2HZ   LYS   2           HZ2      LYS   2  12.619   7.580  -0.622
   19   3HZ   LYS   2           HZ1      LYS   2  12.421   7.992   1.012
   20    H    ILE   3           HN       ILE   3   8.335   2.119   0.171
   21    HA   ILE   3           HA       ILE   3   8.727   0.308   2.443
   22    HB   ILE   3           HB       ILE   3   7.816   3.083   3.004
   23   1HG1  ILE   3          2HG1      ILE   3  10.726   2.281   3.005
   24   2HG1  ILE   3          1HG1      ILE   3   9.973   3.361   1.838
   25   1HG2  ILE   3          3HG2      ILE   3   9.204   0.966   4.632
   26   2HG2  ILE   3          2HG2      ILE   3   8.845   2.586   5.228
   27   3HG2  ILE   3          1HG2      ILE   3   7.530   1.503   4.775
   28   1HD1  ILE   3          2HD1      ILE   3   9.465   4.938   3.633
   29   2HD1  ILE   3          1HD1      ILE   3  10.244   3.861   4.793
   30   3HD1  ILE   3          3HD1      ILE   3  11.194   4.609   3.511
   31    H    SER   4           HN       SER   4   6.719   0.030   3.687
   32    HA   SER   4           HA       SER   4   4.535  -0.614   2.311
   33   1HB   SER   4           HB2      SER   4   4.935  -1.059   4.730
   34   2HB   SER   4           HB1      SER   4   4.381   0.580   5.076
   35    HG   SER   4           HG       SER   4   2.555  -0.545   5.255
   36    H    ARG   5           HN       ARG   5   5.187   2.630   3.475
   37    HA   ARG   5           HA       ARG   5   2.536   3.609   3.198
   38   1HB   ARG   5           HB2      ARG   5   3.531   5.814   3.589
   39   2HB   ARG   5           HB1      ARG   5   4.149   4.625   4.728
   40   1HG   ARG   5           HG2      ARG   5   6.166   4.388   3.293
   41   2HG   ARG   5           HG1      ARG   5   5.554   5.707   2.296
   42   1HD   ARG   5           HD2      ARG   5   7.131   6.615   3.837
   43   2HD   ARG   5           HD1      ARG   5   5.522   7.137   4.330
   44    HE   ARG   5           HE       ARG   5   6.252   4.756   5.687
   45   1HH1  ARG   5          1HH1      ARG   5   6.835   8.220   5.647
   46   2HH1  ARG   5          2HH1      ARG   5   7.337   8.278   7.314
   47   1HH2  ARG   5          1HH2      ARG   5   6.902   4.842   7.884
   48   2HH2  ARG   5          2HH2      ARG   5   7.354   6.367   8.580
   49    H    GLN   6           HN       GLN   6   5.166   3.224   1.006
   50    HA   GLN   6           HA       GLN   6   4.498   5.331  -0.790
   51   1HB   GLN   6           HB2      GLN   6   6.125   2.866  -1.370
   52   2HB   GLN   6           HB1      GLN   6   6.192   4.396  -2.221
   53   1HG   GLN   6           HG2      GLN   6   6.849   4.191   0.693
   54   2HG   GLN   6           HG1      GLN   6   8.044   3.831  -0.547
   55   1HE2  GLN   6          1HE2      GLN   6   7.076   5.829  -2.391
   56   2HE2  GLN   6          2HE2      GLN   6   7.587   7.354  -1.755
   57    H    CYS   7           HN       CYS   7   3.116   2.266  -0.257
   58    HA   CYS   7           HA       CYS   7   1.637   2.526  -2.800
   59   1HB   CYS   7           HB2      CYS   7   2.515   0.068  -1.317
   60   2HB   CYS   7           HB1      CYS   7   1.074   0.014  -2.323
   61    H    LEU   8           HN       LEU   8   1.471   2.962   0.455
   62    HA   LEU   8           HA       LEU   8  -1.069   1.867   1.077
   63   1HB   LEU   8           HB2      LEU   8   0.670   2.485   2.747
   64   2HB   LEU   8           HB1      LEU   8   0.360   4.176   2.401
   65    HG   LEU   8           HG       LEU   8  -1.967   3.887   3.197
   66   1HD1  LEU   8          1HD1      LEU   8  -1.012   1.122   3.937
   67   2HD1  LEU   8          3HD1      LEU   8  -2.537   1.847   4.450
   68   3HD1  LEU   8          2HD1      LEU   8  -2.247   1.520   2.740
   69   1HD2  LEU   8          2HD2      LEU   8  -0.226   4.703   4.703
   70   2HD2  LEU   8          1HD2      LEU   8  -1.414   3.727   5.567
   71   3HD2  LEU   8          3HD2      LEU   8   0.163   3.044   5.160
   72    H    LYS   9           HN       LYS   9   0.035   5.025  -0.024
   73    HA   LYS   9           HA       LYS   9  -2.646   6.115  -0.037
   74   1HB   LYS   9           HB2      LYS   9  -0.660   7.553  -1.650
   75   2HB   LYS   9           HB1      LYS   9  -1.670   8.130  -0.332
   76   1HG   LYS   9           HG2      LYS   9   0.862   6.547  -0.002
   77   2HG   LYS   9           HG1      LYS   9   0.743   8.305   0.130
   78   1HD   LYS   9           HD2      LYS   9  -1.011   6.549   1.805
   79   2HD   LYS   9           HD1      LYS   9   0.658   6.856   2.296
   80   1HE   LYS   9           HE2      LYS   9  -1.387   8.990   1.707
   81   2HE   LYS   9           HE1      LYS   9  -0.999   8.398   3.320
   82   1HZ   LYS   9           HZ3      LYS   9   1.354   9.090   2.840
   83   2HZ   LYS   9           HZ2      LYS   9   0.768   9.888   1.460
   84   3HZ   LYS   9           HZ1      LYS   9   0.241  10.362   3.000
   85    HA   PRO  10           HA       PRO  10  -1.837   5.843  -4.867
   86   1HB   PRO  10           HB2      PRO  10   0.010   3.508  -4.885
   87   2HB   PRO  10           HB1      PRO  10  -0.025   4.938  -5.919
   88   1HG   PRO  10           HG2      PRO  10   1.810   4.719  -4.029
   89   2HG   PRO  10           HG1      PRO  10   1.019   6.276  -4.349
   90   1HD   PRO  10           HD2      PRO  10   0.517   4.315  -2.148
   91   2HD   PRO  10           HD1      PRO  10   0.576   6.089  -2.087
   92    H    CYS  11           HN       CYS  11  -1.877   2.887  -2.864
   93    HA   CYS  11           HA       CYS  11  -3.849   1.768  -4.741
   94   1HB   CYS  11           HB2      CYS  11  -2.146   0.542  -2.608
   95   2HB   CYS  11           HB1      CYS  11  -3.601  -0.261  -3.149
   96    H    LYS  12           HN       LYS  12  -3.446   2.189  -1.185
   97    HA   LYS  12           HA       LYS  12  -6.057   1.102  -0.770
   98   1HB   LYS  12           HB2      LYS  12  -4.351   0.635   0.848
   99   2HB   LYS  12           HB1      LYS  12  -4.083   2.349   1.137
  100   1HG   LYS  12           HG2      LYS  12  -6.266   2.552   2.152
  101   2HG   LYS  12           HG1      LYS  12  -6.621   0.863   1.763
  102   1HD   LYS  12           HD2      LYS  12  -4.859   0.107   3.225
  103   2HD   LYS  12           HD1      LYS  12  -4.347   1.769   3.526
  104   1HE   LYS  12           HE2      LYS  12  -7.083   0.729   4.198
  105   2HE   LYS  12           HE1      LYS  12  -5.737   0.708   5.334
  106   1HZ   LYS  12           HZ1      LYS  12  -6.797   3.157   4.025
  107   2HZ   LYS  12           HZ3      LYS  12  -7.194   2.652   5.596
  108   3HZ   LYS  12           HZ2      LYS  12  -5.599   3.086   5.224
  109    H    ASP  13           HN       ASP  13  -4.655   4.331  -0.607
  110    HA   ASP  13           HA       ASP  13  -7.013   5.626   0.301
  111   1HB   ASP  13           HB2      ASP  13  -4.646   6.557   0.365
  112   2HB   ASP  13           HB1      ASP  13  -4.812   6.863  -1.362
  113    H    ALA  14           HN       ALA  14  -5.912   4.490  -2.759
  114    HA   ALA  14           HA       ALA  14  -7.522   6.027  -4.495
  115   1HB   ALA  14           HB1      ALA  14  -6.497   3.209  -4.878
  116   2HB   ALA  14           HB2      ALA  14  -5.598   4.684  -5.248
  117   3HB   ALA  14           HB3      ALA  14  -7.064   4.300  -6.147
  118    H    GLY  15           HN       GLY  15  -8.009   2.911  -2.926
  119   1HA   GLY  15           HA1      GLY  15 -10.599   2.520  -4.153
  120   2HA   GLY  15           HA2      GLY  15 -10.662   2.922  -2.438
  121    H    MET  16           HN       MET  16  -8.159   1.603  -1.850
  122    HA   MET  16           HA       MET  16  -8.923  -1.204  -2.251
  123   1HB   MET  16           HB2      MET  16  -6.241   0.122  -2.004
  124   2HB   MET  16           HB1      MET  16  -6.434  -1.547  -1.489
  125   1HG   MET  16           HG2      MET  16  -5.589  -1.464  -3.732
  126   2HG   MET  16           HG1      MET  16  -7.206  -2.141  -3.727
  127   1HE   MET  16           HE2      MET  16  -7.161  -1.819  -6.401
  128   2HE   MET  16           HE1      MET  16  -6.892  -0.258  -7.179
  129   3HE   MET  16           HE3      MET  16  -5.578  -1.046  -6.303
  130    H    ARG  17           HN       ARG  17  -8.525  -2.634  -0.493
  131    HA   ARG  17           HA       ARG  17  -9.469  -1.644   2.006
  132   1HB   ARG  17           HB2      ARG  17  -9.956  -3.895   1.032
  133   2HB   ARG  17           HB1      ARG  17  -8.271  -4.316   1.280
  134   1HG   ARG  17           HG2      ARG  17  -8.570  -4.066   3.699
  135   2HG   ARG  17           HG1      ARG  17 -10.274  -3.677   3.431
  136   1HD   ARG  17           HD2      ARG  17  -8.863  -6.261   2.789
  137   2HD   ARG  17           HD1      ARG  17 -10.119  -6.001   4.002
  138    HE   ARG  17           HE       ARG  17 -11.482  -5.325   1.879
  139   1HH1  ARG  17          1HH1      ARG  17  -9.148  -7.927   2.117
  140   2HH1  ARG  17          2HH1      ARG  17  -9.937  -8.913   0.917
  141   1HH2  ARG  17          1HH2      ARG  17 -12.512  -6.593   0.301
  142   2HH2  ARG  17          2HH2      ARG  17 -11.882  -8.165  -0.094
  143    H    PHE  18           HN       PHE  18  -6.423  -3.008   0.841
  144    HA   PHE  18           HA       PHE  18  -4.975  -1.487   2.876
  145   1HB   PHE  18           HB2      PHE  18  -4.739  -4.460   2.395
  146   2HB   PHE  18           HB1      PHE  18  -3.473  -3.533   3.185
  147    HD1  PHE  18           HD1      PHE  18  -4.138  -2.201   5.276
  148    HD2  PHE  18           HD2      PHE  18  -6.506  -5.318   3.618
  149    HE1  PHE  18           HE1      PHE  18  -5.317  -2.438   7.422
  150    HE2  PHE  18           HE2      PHE  18  -7.693  -5.562   5.758
  151    HZ   PHE  18           HZ       PHE  18  -7.098  -4.121   7.664
  152    H    GLY  19           HN       GLY  19  -2.560  -1.567   2.355
  153   1HA   GLY  19           HA1      GLY  19  -2.006  -0.434  -0.068
  154   2HA   GLY  19           HA2      GLY  19  -1.809  -2.158  -0.356
  155    H    LYS  20           HN       LYS  20  -0.495  -3.244   1.515
  156    HA   LYS  20           HA       LYS  20   1.504  -1.434   2.614
  157   1HB   LYS  20           HB2      LYS  20   2.181  -3.405   3.977
  158   2HB   LYS  20           HB1      LYS  20   0.515  -2.901   4.215
  159   1HG   LYS  20           HG2      LYS  20  -0.217  -4.710   2.711
  160   2HG   LYS  20           HG1      LYS  20   1.463  -5.242   2.580
  161   1HD   LYS  20           HD2      LYS  20   1.533  -5.587   5.004
  162   2HD   LYS  20           HD1      LYS  20  -0.148  -5.068   5.126
  163   1HE   LYS  20           HE2      LYS  20  -0.802  -6.944   3.669
  164   2HE   LYS  20           HE1      LYS  20   0.880  -7.479   3.637
  165   1HZ   LYS  20           HZ1      LYS  20   0.774  -7.699   6.072
  166   2HZ   LYS  20           HZ3      LYS  20  -0.875  -7.304   6.024
  167   3HZ   LYS  20           HZ2      LYS  20  -0.321  -8.720   5.278
  168    H    CYS  21           HN       CYS  21   3.536  -1.370   2.045
  169    HA   CYS  21           HA       CYS  21   4.535  -3.327   0.078
  170   1HB   CYS  21           HB2      CYS  21   4.370  -1.084  -0.879
  171   2HB   CYS  21           HB1      CYS  21   5.327  -0.429   0.446
  172    H    MET  22           HN       MET  22   6.708  -3.987   0.222
  173    HA   MET  22           HA       MET  22   8.195  -3.100   2.584
  174   1HB   MET  22           HB2      MET  22   7.011  -5.241   3.125
  175   2HB   MET  22           HB1      MET  22   7.864  -6.018   1.803
  176   1HG   MET  22           HG2      MET  22   9.360  -4.688   4.022
  177   2HG   MET  22           HG1      MET  22   8.720  -6.319   4.206
  178   1HE   MET  22           HE3      MET  22  11.791  -5.596   4.542
  179   2HE   MET  22           HE2      MET  22  11.156  -7.232   4.711
  180   3HE   MET  22           HE1      MET  22  12.547  -6.929   3.667
  181    H    ASN  23           HN       ASN  23   9.742  -2.050   1.526
  182    HA   ASN  23           HA       ASN  23  11.777  -1.772   0.619
  183   1HB   ASN  23           HB2      ASN  23  11.651  -4.758   0.320
  184   2HB   ASN  23           HB1      ASN  23  13.011  -3.819  -0.290
  185   1HD2  ASN  23          1HD2      ASN  23  14.441  -4.788   1.141
  186   2HD2  ASN  23          2HD2      ASN  23  14.445  -4.422   2.834
  187    H    GLY  24           HN       GLY  24  10.007  -4.076  -1.494
  188   1HA   GLY  24           HA1      GLY  24  11.047  -3.609  -3.892
  189   2HA   GLY  24           HA2      GLY  24  10.212  -2.090  -3.625
  190    H    LYS  25           HN       LYS  25   8.285  -4.194  -2.086
  191    HA   LYS  25           HA       LYS  25   6.601  -4.520  -4.446
  192   1HB   LYS  25           HB2      LYS  25   6.143  -6.893  -3.838
  193   2HB   LYS  25           HB1      LYS  25   7.783  -6.604  -4.391
  194   1HG   LYS  25           HG2      LYS  25   8.479  -6.513  -1.979
  195   2HG   LYS  25           HG1      LYS  25   6.851  -7.063  -1.570
  196   1HD   LYS  25           HD2      LYS  25   8.801  -8.519  -3.355
  197   2HD   LYS  25           HD1      LYS  25   8.450  -8.920  -1.673
  198   1HE   LYS  25           HE2      LYS  25   6.246  -9.571  -2.181
  199   2HE   LYS  25           HE1      LYS  25   6.308  -8.829  -3.780
  200   1HZ   LYS  25           HZ1      LYS  25   7.934 -11.169  -2.929
  201   2HZ   LYS  25           HZ3      LYS  25   6.513 -11.258  -3.849
  202   3HZ   LYS  25           HZ2      LYS  25   7.884 -10.486  -4.480
  203    H    CYS  26           HN       CYS  26   4.447  -4.321  -4.043
  204    HA   CYS  26           HA       CYS  26   3.627  -4.243  -1.226
  205   1HB   CYS  26           HB2      CYS  26   2.126  -2.317  -1.788
  206   2HB   CYS  26           HB1      CYS  26   3.842  -1.946  -1.797
  207    H    HIS  27           HN       HIS  27   1.701  -5.048  -0.731
  208    HA   HIS  27           HA       HIS  27   0.110  -6.190  -2.935
  209   1HB   HIS  27           HB2      HIS  27   0.205  -7.010  -0.021
  210   2HB   HIS  27           HB1      HIS  27  -0.799  -7.753  -1.260
  211    HD1  HIS  27           HD1      HIS  27   2.462  -7.961   0.320
  212    HD2  HIS  27           HD2      HIS  27   0.778  -9.153  -3.290
  213    HE1  HIS  27           HE1      HIS  27   4.024  -9.695  -0.617
  214    HE2  HIS  27           HE2      HIS  27   2.836 -10.587  -2.647
  215    H    CYS  28           HN       CYS  28  -1.298  -4.483  -3.359
  216    HA   CYS  28           HA       CYS  28  -2.850  -3.562  -1.078
  217   1HB   CYS  28           HB2      CYS  28  -3.955  -2.101  -2.908
  218   2HB   CYS  28           HB1      CYS  28  -2.378  -1.677  -2.264
  219    H    THR  29           HN       THR  29  -4.419  -4.756  -0.503
  220    HA   THR  29           HA       THR  29  -5.860  -6.463  -2.318
  221    HB   THR  29           HB       THR  29  -7.186  -6.966  -0.199
  222    HG1  THR  29           HG1      THR  29  -6.365  -6.155   1.724
  223   1HG2  THR  29          3HG2      THR  29  -5.296  -8.349  -0.969
  224   2HG2  THR  29          2HG2      THR  29  -4.193  -7.325  -0.044
  225   3HG2  THR  29          1HG2      THR  29  -5.409  -8.296   0.791
  226    HA   PRO  30           HA       PRO  30  -8.691  -3.116  -3.363
  227   1HB   PRO  30           HB2      PRO  30 -10.180  -5.441  -4.486
  228   2HB   PRO  30           HB1      PRO  30  -9.753  -3.901  -5.247
  229   1HG   PRO  30           HG2      PRO  30  -8.404  -6.055  -5.905
  230   2HG   PRO  30           HG1      PRO  30  -7.537  -4.540  -5.574
  231   1HD   PRO  30           HD2      PRO  30  -7.919  -6.916  -3.769
  232   2HD   PRO  30           HD1      PRO  30  -6.429  -6.012  -4.129
  233    H    LYS  31           HN       LYS  31 -10.749  -2.460  -2.786
  234    HA   LYS  31           HA       LYS  31 -11.740  -3.437  -0.324
  235   1HB   LYS  31           HB2      LYS  31 -12.739  -1.446  -2.333
  236   2HB   LYS  31           HB1      LYS  31 -13.757  -1.924  -0.981
  237   1HG   LYS  31           HG2      LYS  31 -10.958  -0.918  -0.587
  238   2HG   LYS  31           HG1      LYS  31 -12.349   0.167  -0.690
  239   1HD   LYS  31           HD2      LYS  31 -13.361  -0.820   1.224
  240   2HD   LYS  31           HD1      LYS  31 -12.193  -2.142   1.235
  241   1HE   LYS  31           HE2      LYS  31 -10.459  -0.757   1.984
  242   2HE   LYS  31           HE1      LYS  31 -11.337   0.717   1.558
  243   1HZ   LYS  31           HZ1      LYS  31 -12.078  -1.180   3.727
  244   2HZ   LYS  31           HZ3      LYS  31 -11.342   0.335   3.948
  245   3HZ   LYS  31           HZ2      LYS  31 -12.912   0.243   3.322

  No H/Q in entry =         245