*HEADER    ION CHANNEL                             11-APR-06   2CK4
*TITLE     SOLUTION STRUCTURE OF AOSK1
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: POTASSIUM CHANNEL TOXIN ALPHA-KTX 3.7;
*COMPND   3 SYNONYM: 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
*KEYWDS    POTASSIUM CHANNEL INHIBITOR,
*KEYWDS   2 SCORPIO TOXIN, IONIC CHANNEL INHIBITOR,
*KEYWDS   3 OSK1, TOXIN, MUTANT, NEUROTOXIN, ION CHANNEL
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    S.ALPHONSE,S.MOUHAT,J.M.SABATIER,H.DARBON,C.BERNARD




 ASSI {    1}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     1.100     1.100 peak     1 spectrum    1 weight  0.11000E+01 volume  0.14136E-02 ppm1      9.547 ppm2      5.327 CV     1
 ASSI {    1}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.300     1.400     1.400 peak     1 spectrum    1 weight  0.11000E+01 volume  0.37636E-02 ppm1      9.547 ppm2      3.222 CV     1
 ASSI {    2}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.800     1.000     1.000 peak     2 spectrum    1 weight  0.11000E+01 volume  0.17617E-02 ppm1      9.549 ppm2      3.058 CV     1
 ASSI {    3}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.300     0.700     0.700 peak     3 spectrum    1 weight  0.11000E+01 volume  0.80003E-02 ppm1      9.466 ppm2      4.359 CV     1
 ASSI {    4}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.900     1.900     1.900 peak     4 spectrum    1 weight  0.11000E+01 volume  0.73061E-03 ppm1      9.465 ppm2      3.083 CV     1
 ASSI {    5}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.500     1.600     1.600 peak     5 spectrum    1 weight  0.11000E+01 volume  0.82932E-03 ppm1      9.466 ppm2      2.769 CV     1
 ASSI {    7}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.500     1.600     1.600 peak     7 spectrum    1 weight  0.11000E+01 volume  0.15639E-02 ppm1      9.357 ppm2      3.065 CV     1
 ASSI {    8}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.700     0.900     0.900 peak     8 spectrum    1 weight  0.11000E+01 volume  0.27053E-02 ppm1      9.356 ppm2      2.655 CV     1
 ASSI {    9}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.100     1.200     1.200 peak     9 spectrum    1 weight  0.11000E+01 volume  0.12688E-02 ppm1      9.255 ppm2      4.501 CV     1
 ASSI {   10}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.600     0.800     0.800 peak    10 spectrum    1 weight  0.11000E+01 volume  0.26400E-02 ppm1      9.252 ppm2      1.806 CV     1
 ASSI {   11}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HD1 ))
      3.400     1.500     1.500 peak    11 spectrum    1 weight  0.11000E+01 volume  0.81419E-03 ppm1      9.256 ppm2      1.682 CV     1
 OR {   11}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HD2 ))
 ASSI {   12}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.500     1.600     1.600 peak    12 spectrum    1 weight  0.11000E+01 volume  0.18368E-02 ppm1      9.254 ppm2      1.871 CV     1
 ASSI {   13}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG1 ))
      3.300     1.400     1.400 peak    13 spectrum    1 weight  0.11000E+01 volume  0.13416E-02 ppm1      9.250 ppm2      1.466 CV     1
 OR {   13}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG2 ))
 ASSI {   14}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.500     0.800     0.800 peak    14 spectrum    1 weight  0.11000E+01 volume  0.41887E-02 ppm1      9.229 ppm2      4.011 CV     1
 ASSI {   15}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.500     0.800     0.800 peak    15 spectrum    1 weight  0.11000E+01 volume  0.52400E-02 ppm1      9.229 ppm2      4.081 CV     1
 OR {   15}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {   16}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.100     1.200     1.200 peak    16 spectrum    1 weight  0.11000E+01 volume  0.15401E-02 ppm1      9.018 ppm2      4.442 CV     1
 ASSI {   17}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.500     0.800     0.800 peak    17 spectrum    1 weight  0.11000E+01 volume  0.52907E-02 ppm1      9.019 ppm2      2.898 CV     1
 OR {   17}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {   18}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak    18 spectrum    1 weight  0.11000E+01 volume  0.28151E-02 ppm1      9.008 ppm2      4.226 CV     1
 ASSI {   19}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.300     0.700     0.700 peak    19 spectrum    1 weight  0.11000E+01 volume  0.56667E-02 ppm1      9.008 ppm2      1.936 CV     1
 ASSI {   20}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.500     0.800     0.800 peak    20 spectrum    1 weight  0.11000E+01 volume  0.52168E-02 ppm1      9.007 ppm2      1.832 CV     1
 ASSI {   21}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HD2 ))
      3.500     1.500     1.500 peak    21 spectrum    1 weight  0.11000E+01 volume  0.21764E-02 ppm1      9.008 ppm2      1.646 CV     1
 OR {   21}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HD1 ))
 ASSI {   22}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      3.900     1.900     1.900 peak    22 spectrum    1 weight  0.11000E+01 volume  0.12340E-02 ppm1      9.014 ppm2      1.466 CV     1
 ASSI {   23}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      5.000     3.200     1.000 peak    23 spectrum    1 weight  0.11000E+01 volume  0.34055E-03 ppm1      9.010 ppm2      1.373 CV     1
 ASSI {   24}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.000     1.100     1.100 peak    24 spectrum    1 weight  0.11000E+01 volume  0.13690E-02 ppm1      8.839 ppm2      4.837 CV     1
 ASSI {   25}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.500     0.800     0.800 peak    25 spectrum    1 weight  0.11000E+01 volume  0.32872E-02 ppm1      8.841 ppm2      2.727 CV     1
 ASSI {   26}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.900     1.000     1.000 peak    26 spectrum    1 weight  0.11000E+01 volume  0.26044E-02 ppm1      8.841 ppm2      2.392 CV     1
 ASSI {   27}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.500     0.800     0.800 peak    27 spectrum    1 weight  0.11000E+01 volume  0.46528E-02 ppm1      8.794 ppm2      4.597 CV     1
 ASSI {   28}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.600     0.800     0.800 peak    28 spectrum    1 weight  0.11000E+01 volume  0.40605E-02 ppm1      8.801 ppm2      1.668 CV     1
 OR {   28}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI {   30}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      3.700     1.700     1.700 peak    30 spectrum    1 weight  0.11000E+01 volume  0.66866E-03 ppm1      8.800 ppm2      1.240 CV     1
 OR {   30}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI {   31}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.000     1.000 peak    31 spectrum    1 weight  0.11000E+01 volume  0.15969E-02 ppm1      8.707 ppm2      4.956 CV     1
 ASSI {   32}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
      2.300     0.700     0.700 peak    32 spectrum    1 weight  0.11000E+01 volume  0.61176E-02 ppm1      8.708 ppm2      3.986 CV     1
 ASSI {   33}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      3.800     1.800     1.800 peak    33 spectrum    1 weight  0.11000E+01 volume  0.11206E-02 ppm1      8.704 ppm2      1.399 CV     1
 ASSI {   34}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.200     1.300     1.300 peak    34 spectrum    1 weight  0.11000E+01 volume  0.10589E-02 ppm1      8.680 ppm2      4.290 CV     1
 ASSI {   35}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      3.000     1.100     1.100 peak    35 spectrum    1 weight  0.11000E+01 volume  0.18320E-02 ppm1      8.688 ppm2      1.950 CV     1
 ASSI {   36}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      2.700     0.900     0.900 peak    36 spectrum    1 weight  0.11000E+01 volume  0.30369E-02 ppm1      8.684 ppm2      0.858 CV     1
 ASSI {   37}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.800     1.000     1.000 peak    37 spectrum    1 weight  0.11000E+01 volume  0.24842E-02 ppm1      8.684 ppm2      4.771 CV     1
 ASSI {   38}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      3.000     1.100     1.100 peak    38 spectrum    1 weight  0.11000E+01 volume  0.21056E-02 ppm1      8.686 ppm2      2.906 CV     1
 ASSI {   39}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.700     0.900     0.900 peak    39 spectrum    1 weight  0.11000E+01 volume  0.33022E-02 ppm1      8.686 ppm2      2.604 CV     1
 ASSI {   40}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.300     0.600     0.600 peak    40 spectrum    1 weight  0.11000E+01 volume  0.75230E-02 ppm1      8.623 ppm2      4.837 CV     1
 ASSI {   41}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      2.500     0.800     0.800 peak    41 spectrum    1 weight  0.11000E+01 volume  0.45874E-02 ppm1      8.612 ppm2      1.734 CV     1
 OR {   41}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {   42}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.500     0.800     0.800 peak    42 spectrum    1 weight  0.11000E+01 volume  0.42948E-02 ppm1      8.617 ppm2      4.082 CV     1
 ASSI {   43}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.400     1.500     1.500 peak    43 spectrum    1 weight  0.11000E+01 volume  0.55562E-03 ppm1      8.626 ppm2      2.045 CV     1
 ASSI {   44}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.800     1.800     1.800 peak    44 spectrum    1 weight  0.11000E+01 volume  0.11511E-02 ppm1      8.627 ppm2      2.216 CV     1
 ASSI {   45}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HG1 ))
      4.000     2.000     2.000 peak    45 spectrum    1 weight  0.11000E+01 volume  0.75023E-03 ppm1      8.626 ppm2      1.586 CV     1
 ASSI {   46}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HG2 ))
      2.900     2.900     3.100 peak    46 spectrum    1 weight  0.11000E+01 volume  0.19700E-02 ppm1      8.628 ppm2      1.149 CV     1
 ASSI {   48}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.600     0.800     0.800 peak    48 spectrum    1 weight  0.11000E+01 volume  0.39952E-02 ppm1      8.611 ppm2      1.932 CV     1
 OR {   48}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {   49}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.900     1.000     1.000 peak    49 spectrum    1 weight  0.11000E+01 volume  0.14616E-02 ppm1      8.563 ppm2      3.990 CV     1
 ASSI {   50}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG1 ))
      2.900     1.100     1.100 peak    50 spectrum    1 weight  0.11000E+01 volume  0.23480E-02 ppm1      8.566 ppm2      1.779 CV     1
 ASSI {   51}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.900     1.100     1.100 peak    51 spectrum    1 weight  0.11000E+01 volume  0.15276E-02 ppm1      8.568 ppm2      1.367 CV     1
 OR {   51}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {   53}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.200     1.300     1.300 peak    53 spectrum    1 weight  0.11000E+01 volume  0.17730E-02 ppm1      8.408 ppm2      1.822 CV     1
 ASSI {   54}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.200     0.600     0.600 peak    54 spectrum    1 weight  0.11000E+01 volume  0.68085E-02 ppm1      8.407 ppm2      1.718 CV     1
 ASSI {   55}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
      3.700     1.700     1.700 peak    55 spectrum    1 weight  0.11000E+01 volume  0.12003E-02 ppm1      8.403 ppm2      1.050 CV     1
 ASSI {   56}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG1 ))
      3.900     1.900     1.900 peak    56 spectrum    1 weight  0.11000E+01 volume  0.12912E-02 ppm1      8.402 ppm2      1.151 CV     1
 ASSI {   58}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.200     1.300     1.300 peak    58 spectrum    1 weight  0.11000E+01 volume  0.26556E-02 ppm1      8.404 ppm2      1.271 CV     1
 ASSI {   59}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.900     1.100     1.100 peak    59 spectrum    1 weight  0.11000E+01 volume  0.17313E-02 ppm1      8.408 ppm2      4.813 CV     1
 ASSI {   61}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      2.500     0.800     0.800 peak    61 spectrum    1 weight  0.11000E+01 volume  0.44703E-02 ppm1      8.375 ppm2      1.518 CV     1
 ASSI {   63}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      3.900     1.900     1.900 peak    63 spectrum    1 weight  0.11000E+01 volume  0.60315E-03 ppm1      8.376 ppm2      0.667 CV     1
 ASSI {   64}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA1 ))
      2.300     0.600     0.600 peak    64 spectrum    1 weight  0.11000E+01 volume  0.88237E-02 ppm1      8.351 ppm2      4.113 CV     1
 OR {   64}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA2 ))
 ASSI {   66}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      3.200     1.300     1.300 peak    66 spectrum    1 weight  0.11000E+01 volume  0.12200E-02 ppm1      8.245 ppm2      0.754 CV     1
 ASSI {   67}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.900     1.000     1.000 peak    67 spectrum    1 weight  0.11000E+01 volume  0.18671E-02 ppm1      8.246 ppm2      4.604 CV     1
 ASSI {   68}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.100     1.200     1.200 peak    68 spectrum    1 weight  0.11000E+01 volume  0.12650E-02 ppm1      8.174 ppm2      5.048 CV     1
 ASSI {   69}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.300     0.700     0.700 peak    69 spectrum    1 weight  0.11000E+01 volume  0.70325E-02 ppm1      8.142 ppm2      4.457 CV     1
 ASSI {   70}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      2.600     0.900     0.900 peak    70 spectrum    1 weight  0.11000E+01 volume  0.33890E-02 ppm1      8.118 ppm2      1.420 CV     1
 ASSI {   71}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      4.000     2.000     2.000 peak    71 spectrum    1 weight  0.11000E+01 volume  0.36020E-03 ppm1      8.117 ppm2      0.899 CV     1
 ASSI {   72}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA1 ))
      3.000     1.100     1.100 peak    72 spectrum    1 weight  0.11000E+01 volume  0.29467E-02 ppm1      7.996 ppm2      4.148 CV     1
 ASSI {   73}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA2 ))
      2.200     2.200     3.800 peak    73 spectrum    1 weight  0.11000E+01 volume  0.77005E-02 ppm1      8.000 ppm2      3.844 CV     1
 ASSI {   74}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      2.800     1.000     1.000 peak    74 spectrum    1 weight  0.11000E+01 volume  0.21784E-02 ppm1      7.869 ppm2      3.812 CV     1
 OR {   74}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
 ASSI {   75}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.500     1.500     1.500 peak    75 spectrum    1 weight  0.11000E+01 volume  0.30502E-02 ppm1      9.254 ppm2      3.040 CV     1
 ASSI {   76}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 24   and name HG2 ))
      3.600     1.600     1.600 peak    76 spectrum    1 weight  0.11000E+01 volume  0.44978E-03 ppm1      6.777 ppm2      1.048 CV     1
 ASSI {   78}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 24   and name HD1 ))
      3.100     1.200     1.200 peak    78 spectrum    1 weight  0.11000E+01 volume  0.13828E-02 ppm1      6.781 ppm2      2.829 CV     1
 OR {   78}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 24   and name HD2 ))
 ASSI {   80}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.300     1.300     1.300 peak    80 spectrum    1 weight  0.11000E+01 volume  0.11965E-02 ppm1      7.363 ppm2      4.506 CV     1
 ASSI {   81}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HB% )
      2.500     0.800     0.800 peak    81 spectrum    1 weight  0.11000E+01 volume  0.56938E-02 ppm1      7.361 ppm2      1.491 CV     1
 ASSI {   84}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      3.300     1.300     1.300 peak    84 spectrum    1 weight  0.11000E+01 volume  0.22311E-02 ppm1      7.188 ppm2      1.650 CV     1
 ASSI {   85}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.500     0.800     0.800 peak    85 spectrum    1 weight  0.11000E+01 volume  0.41456E-02 ppm1      7.188 ppm2      1.830 CV     1
 ASSI {   86}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.500     0.800     0.800 peak    86 spectrum    1 weight  0.11000E+01 volume  0.36556E-02 ppm1      7.188 ppm2      1.725 CV     1
 ASSI {   89}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      2.900     1.100     1.100 peak    89 spectrum    1 weight  0.11000E+01 volume  0.19443E-02 ppm1      7.403 ppm2      2.581 CV     1
 ASSI {   90}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.500     0.800     0.800 peak    90 spectrum    1 weight  0.11000E+01 volume  0.49954E-02 ppm1      7.403 ppm2      2.500 CV     1
 ASSI {   91}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HG1 ))
      2.500     0.800     0.800 peak    91 spectrum    1 weight  0.11000E+01 volume  0.52089E-02 ppm1      7.404 ppm2      2.221 CV     1
 OR {   91}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
 ASSI {   92}
   (( segid "    " and resid 13   and name HE22))
   (( segid "    " and resid 13   and name HE21))
      1.700     0.300     0.500 peak    92 spectrum    1 weight  0.11000E+01 volume  0.29689E-01 ppm1      7.041 ppm2      7.768 CV     1
 ASSI {   94}
   (( segid "    " and resid 30   and name HD21))
   (( segid "    " and resid 30   and name HD22))
      1.600     0.300     0.600 peak    94 spectrum    1 weight  0.11000E+01 volume  0.37862E-01 ppm1      7.580 ppm2      6.941 CV     1
 ASSI {   97}
   (( segid "    " and resid 5    and name HD22))
   (( segid "    " and resid 5    and name HD21))
      1.700     0.300     0.500 peak    97 spectrum    1 weight  0.11000E+01 volume  0.30850E-01 ppm1      6.836 ppm2      7.594 CV     1
 ASSI {   98}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.100     1.200     1.200 peak    98 spectrum    1 weight  0.11000E+01 volume  0.14182E-02 ppm1      7.788 ppm2      4.418 CV     1
 ASSI {   99}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.100     1.200     1.200 peak    99 spectrum    1 weight  0.11000E+01 volume  0.42216E-02 ppm1      7.790 ppm2      3.018 CV     1
 ASSI {  101}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.000     1.100     1.100 peak   101 spectrum    1 weight  0.11000E+01 volume  0.15782E-02 ppm1      7.908 ppm2      4.668 CV     1
 ASSI {  103}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.900     1.900     1.900 peak   103 spectrum    1 weight  0.11000E+01 volume  0.59507E-03 ppm1      7.912 ppm2      2.718 CV     1
 ASSI {  104}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.600     0.800     0.800 peak   104 spectrum    1 weight  0.11000E+01 volume  0.31360E-02 ppm1      8.015 ppm2      4.284 CV     1
 ASSI {  105}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG1 ))
      3.000     1.100     1.100 peak   105 spectrum    1 weight  0.11000E+01 volume  0.40984E-02 ppm1      8.059 ppm2      1.755 CV     1
 OR {  105}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
 ASSI {  109}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HD2 ))
      4.100     2.100     1.900 peak   109 spectrum    1 weight  0.11000E+01 volume  0.65068E-03 ppm1      8.058 ppm2      2.053 CV     1
 OR {  109}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HD1 ))
 ASSI {  110}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HE1 ))
      3.800     1.800     1.800 peak   110 spectrum    1 weight  0.11000E+01 volume  0.12753E-02 ppm1      8.013 ppm2      3.016 CV     1
 OR {  110}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HE2 ))
 ASSI {  112}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.600     0.800     0.800 peak   112 spectrum    1 weight  0.11000E+01 volume  0.41777E-02 ppm1      8.088 ppm2      4.773 CV     1
 ASSI {  114}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.300     0.700     0.700 peak   114 spectrum    1 weight  0.11000E+01 volume  0.59472E-02 ppm1      8.089 ppm2      2.607 CV     1
 ASSI {  115}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.100     1.100 peak   115 spectrum    1 weight  0.11000E+01 volume  0.18528E-02 ppm1      8.118 ppm2      4.117 CV     1
 ASSI {  116}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.400     0.700     0.700 peak   116 spectrum    1 weight  0.11000E+01 volume  0.40870E-02 ppm1      8.175 ppm2      2.552 CV     1
 ASSI {  117}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.700     1.700     1.700 peak   117 spectrum    1 weight  0.11000E+01 volume  0.10982E-02 ppm1      8.176 ppm2      2.644 CV     1
 ASSI {  118}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB  ))
      3.900     1.900     1.900 peak   118 spectrum    1 weight  0.11000E+01 volume  0.65583E-03 ppm1      8.244 ppm2      1.837 CV     1
 ASSI {  120}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HD2 ))
      5.100     3.200     0.900 peak   120 spectrum    1 weight  0.11000E+01 volume  0.24716E-03 ppm1      8.021 ppm2      1.662 CV     1
 OR {  120}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HD1 ))
 ASSI {  121}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG1 ))
      4.000     2.000     2.000 peak   121 spectrum    1 weight  0.11000E+01 volume  0.78490E-03 ppm1      8.019 ppm2      1.546 CV     1
 ASSI {  124}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.800     1.000     1.000 peak   124 spectrum    1 weight  0.11000E+01 volume  0.17793E-02 ppm1      7.697 ppm2      1.793 CV     1
 ASSI {  125}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HD2 ))
      4.600     2.700     1.400 peak   125 spectrum    1 weight  0.11000E+01 volume  0.17147E-03 ppm1      7.703 ppm2      1.573 CV     1
 OR {  125}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HD1 ))
 ASSI {  126}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HG12))
      3.000     1.100     1.100 peak   126 spectrum    1 weight  0.11000E+01 volume  0.15373E-02 ppm1      8.382 ppm2     -0.104 CV     1
 ASSI {  128}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.500     1.500     1.500 peak   128 spectrum    1 weight  0.11000E+01 volume  0.41902E-03 ppm1      8.142 ppm2      3.163 CV     1
 ASSI {  129}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HD2 ))
      3.300     1.400     1.400 peak   129 spectrum    1 weight  0.11000E+01 volume  0.37089E-02 ppm1      8.405 ppm2      1.546 CV     1
 OR {  129}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HD1 ))
 ASSI {  130}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.000     1.100     1.100 peak   130 spectrum    1 weight  0.11000E+01 volume  0.16633E-02 ppm1      7.973 ppm2      4.892 CV     1
 ASSI {  131}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB  ))
      4.500     2.500     1.500 peak   131 spectrum    1 weight  0.11000E+01 volume  0.23006E-03 ppm1      7.970 ppm2      2.178 CV     1
 ASSI {  132}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.900     1.900     1.900 peak   132 spectrum    1 weight  0.11000E+01 volume  0.12619E-02 ppm1      7.975 ppm2      0.952 CV     1
 ASSI {  133}
   (( segid "    " and resid 13   and name HE22))
   (( segid "    " and resid 13   and name HB1 ))
      4.800     2.800     1.200 peak   133 spectrum    1 weight  0.11000E+01 volume  0.34333E-03 ppm1      7.047 ppm2      2.589 CV     1
 ASSI {  135}
   (( segid "    " and resid 13   and name HE21))
   (( segid "    " and resid 13   and name HB1 ))
      2.700     0.900     0.900 peak   135 spectrum    1 weight  0.11000E+01 volume  0.23103E-02 ppm1      7.764 ppm2      2.586 CV     1
 ASSI {  136}
   (( segid "    " and resid 13   and name HE21))
   (( segid "    " and resid 13   and name HG2 ))
      3.100     1.200     1.200 peak   136 spectrum    1 weight  0.11000E+01 volume  0.12465E-02 ppm1      7.762 ppm2      2.223 CV     1
 OR {  136}
   (( segid "    " and resid 13   and name HE21))
   (( segid "    " and resid 13   and name HG1 ))
 ASSI {  137}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak   137 spectrum    1 weight  0.11000E+01 volume  0.42374E-02 ppm1      8.090 ppm2      7.410 CV     1
 ASSI {  140}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HG1 ))
      4.300     2.400     1.700 peak   140 spectrum    1 weight  0.11000E+01 volume  0.23123E-03 ppm1      8.089 ppm2      2.219 CV     1
 OR {  140}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
 ASSI {  141}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.600     1.600     1.600 peak   141 spectrum    1 weight  0.11000E+01 volume  0.67057E-03 ppm1      8.087 ppm2      2.505 CV     1
 ASSI {  143}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.600     0.600 peak   143 spectrum    1 weight  0.11000E+01 volume  0.58469E-02 ppm1      8.089 ppm2      7.192 CV     1
 ASSI {  144}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak   144 spectrum    1 weight  0.11000E+01 volume  0.22248E-02 ppm1      7.188 ppm2      4.100 CV     1
 ASSI {  145}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      4.000     2.000     2.000 peak   145 spectrum    1 weight  0.11000E+01 volume  0.30379E-03 ppm1      7.189 ppm2      2.605 CV     1
 ASSI {  146}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.000     1.000 peak   146 spectrum    1 weight  0.11000E+01 volume  0.40086E-02 ppm1      0.863 ppm2      4.112 CV     1
 ASSI {  147}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.000     1.100     1.100 peak   147 spectrum    1 weight  0.11000E+01 volume  0.12253E-02 ppm1      7.187 ppm2      9.016 CV     1
 ASSI {  150}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HD1%)
      4.700     2.800     1.300 peak   150 spectrum    1 weight  0.11000E+01 volume  0.28465E-03 ppm1      9.010 ppm2      1.010 CV     1
 ASSI {  153}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HD1 ))
      1.800     0.400     0.400 peak   153 spectrum    1 weight  0.11000E+01 volume  0.12673E-01 ppm1      3.510 ppm2      3.652 CV     1
 ASSI {  155}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HB1 ))
      3.100     1.200     1.200 peak   155 spectrum    1 weight  0.11000E+01 volume  0.35533E-02 ppm1      3.509 ppm2      2.330 CV     1
 ASSI {  156}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HG1 ))
      2.900     1.000     1.000 peak   156 spectrum    1 weight  0.11000E+01 volume  0.17529E-02 ppm1      3.506 ppm2      2.087 CV     1
 OR {  156}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  158}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 16   and name HB1 ))
      2.300     0.600     0.600 peak   158 spectrum    1 weight  0.11000E+01 volume  0.25130E-02 ppm1      3.655 ppm2      1.932 CV     1
 ASSI {  161}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 16   and name HB2 ))
      4.800     2.800     1.200 peak   161 spectrum    1 weight  0.11000E+01 volume  0.62904E-03 ppm1      3.656 ppm2      1.841 CV     1
 ASSI {  163}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ))
      2.900     1.000     1.000 peak   163 spectrum    1 weight  0.11000E+01 volume  0.21368E-02 ppm1      9.007 ppm2      3.657 CV     1
 ASSI {  164}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HD2 ))
      2.500     0.800     0.800 peak   164 spectrum    1 weight  0.11000E+01 volume  0.38376E-02 ppm1      9.008 ppm2      3.505 CV     1
 ASSI {  171}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     0.900     0.900 peak   171 spectrum    1 weight  0.11000E+01 volume  0.23278E-02 ppm1      8.016 ppm2      9.032 CV     1
 ASSI {  173}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.100     1.200     1.200 peak   173 spectrum    1 weight  0.11000E+01 volume  0.15201E-02 ppm1      9.020 ppm2      4.285 CV     1
 ASSI {  174}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.900     1.000     1.000 peak   174 spectrum    1 weight  0.11000E+01 volume  0.19664E-02 ppm1      9.018 ppm2      7.374 CV     1
 ASSI {  176}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.700     1.700     1.700 peak   176 spectrum    1 weight  0.11000E+01 volume  0.60229E-03 ppm1      7.366 ppm2      4.433 CV     1
 ASSI {  178}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.300     1.300     1.300 peak   178 spectrum    1 weight  0.11000E+01 volume  0.11377E-02 ppm1      7.362 ppm2      2.898 CV     1
 OR {  178}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {  180}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak   180 spectrum    1 weight  0.11000E+01 volume  0.38753E-02 ppm1      8.001 ppm2      7.368 CV     1
 ASSI {  181}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.200     1.300     1.300 peak   181 spectrum    1 weight  0.11000E+01 volume  0.12560E-02 ppm1      7.997 ppm2      4.502 CV     1
 ASSI {  184}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.700     1.700     1.700 peak   184 spectrum    1 weight  0.11000E+01 volume  0.52579E-03 ppm1      7.404 ppm2      4.076 CV     1
 ASSI {  188}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.500     1.500     1.500 peak   188 spectrum    1 weight  0.11000E+01 volume  0.67218E-03 ppm1      8.615 ppm2      4.006 CV     1
 ASSI {  191}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.200     0.600     0.600 peak   191 spectrum    1 weight  0.11000E+01 volume  0.81882E-02 ppm1      9.227 ppm2      4.887 CV     1
 ASSI {  193}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HG2%)
      4.000     2.000     2.000 peak   193 spectrum    1 weight  0.11000E+01 volume  0.65716E-03 ppm1      9.231 ppm2      1.173 CV     1
 ASSI {  195}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.200     0.600     0.600 peak   195 spectrum    1 weight  0.11000E+01 volume  0.91877E-02 ppm1      7.977 ppm2      9.259 CV     1
 ASSI {  197}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.200     1.300     1.300 peak   197 spectrum    1 weight  0.11000E+01 volume  0.12189E-02 ppm1      7.973 ppm2      1.811 CV     1
 ASSI {  198}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.300     0.600     0.600 peak   198 spectrum    1 weight  0.11000E+01 volume  0.71942E-02 ppm1      9.254 ppm2      4.670 CV     1
 ASSI {  199}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.600     1.600     1.600 peak   199 spectrum    1 weight  0.11000E+01 volume  0.12860E-02 ppm1      9.253 ppm2      2.723 CV     1
 ASSI {  200}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.200     1.300     1.300 peak   200 spectrum    1 weight  0.11000E+01 volume  0.11165E-02 ppm1      7.913 ppm2      5.402 CV     1
 ASSI {  201}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.100     0.600     0.600 peak   201 spectrum    1 weight  0.11000E+01 volume  0.90261E-02 ppm1      7.913 ppm2      4.813 CV     1
 ASSI {  202}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG1 ))
      3.900     1.900     1.900 peak   202 spectrum    1 weight  0.11000E+01 volume  0.17778E-02 ppm1      8.410 ppm2      1.410 CV     1
 ASSI {  203}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG1 ))
      5.600     3.900     0.400 peak   203 spectrum    1 weight  0.11000E+01 volume  0.17424E-03 ppm1      7.916 ppm2      1.420 CV     1
 ASSI {  205}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.600     1.600     1.600 peak   205 spectrum    1 weight  0.11000E+01 volume  0.12725E-02 ppm1      7.911 ppm2      1.833 CV     1
 ASSI {  206}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG12))
      2.400     0.700     0.700 peak   206 spectrum    1 weight  0.11000E+01 volume  0.34873E-02 ppm1      8.244 ppm2      1.040 CV     1
 ASSI {  207}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      3.300     1.400     1.400 peak   207 spectrum    1 weight  0.11000E+01 volume  0.27131E-02 ppm1      8.408 ppm2      0.903 CV     1
 ASSI {  208}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.300     0.700     0.700 peak   208 spectrum    1 weight  0.11000E+01 volume  0.57268E-02 ppm1      8.706 ppm2      5.332 CV     1
 ASSI {  209}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.600     0.900     0.900 peak   209 spectrum    1 weight  0.11000E+01 volume  0.26747E-02 ppm1      8.705 ppm2      3.076 CV     1
 ASSI {  210}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.300     1.400     1.400 peak   210 spectrum    1 weight  0.11000E+01 volume  0.21441E-02 ppm1      8.708 ppm2      2.655 CV     1
 ASSI {  211}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.100     0.600     0.600 peak   211 spectrum    1 weight  0.11000E+01 volume  0.11095E-01 ppm1      9.548 ppm2      5.045 CV     1
 ASSI {  212}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.500     1.500     1.500 peak   212 spectrum    1 weight  0.11000E+01 volume  0.13132E-02 ppm1      9.547 ppm2      2.643 CV     1
 ASSI {  214}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.300     0.700     0.700 peak   214 spectrum    1 weight  0.11000E+01 volume  0.70346E-02 ppm1      8.175 ppm2      5.401 CV     1
 ASSI {  215}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      2.800     1.000     1.000 peak   215 spectrum    1 weight  0.11000E+01 volume  0.17424E-02 ppm1      8.176 ppm2      1.971 CV     1
 ASSI {  216}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.400     2.400     1.600 peak   216 spectrum    1 weight  0.11000E+01 volume  0.33848E-03 ppm1      8.177 ppm2      1.800 CV     1
 ASSI {  217}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
      3.700     1.700     1.700 peak   217 spectrum    1 weight  0.11000E+01 volume  0.11699E-02 ppm1      8.177 ppm2      1.420 CV     1
 OR {  217}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HG1 ))
 ASSI {  221}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.000     1.100     1.100 peak   221 spectrum    1 weight  0.11000E+01 volume  0.17732E-02 ppm1      9.472 ppm2      8.358 CV     1
 ASSI {  223}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.800     1.000     1.000 peak   223 spectrum    1 weight  0.11000E+01 volume  0.29122E-02 ppm1      8.350 ppm2      4.361 CV     1
 ASSI {  224}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   224 spectrum    1 weight  0.11000E+01 volume  0.82262E-02 ppm1      9.467 ppm2      4.627 CV     1
 ASSI {  225}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HG1 ))
      4.500     2.500     1.500 peak   225 spectrum    1 weight  0.11000E+01 volume  0.76425E-03 ppm1      9.465 ppm2      1.586 CV     1
 ASSI {  226}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.500     2.500     1.500 peak   226 spectrum    1 weight  0.11000E+01 volume  0.48744E-03 ppm1      9.468 ppm2      2.039 CV     1
 ASSI {  227}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      5.300     3.500     0.700 peak   227 spectrum    1 weight  0.11000E+01 volume  0.16983E-03 ppm1      8.626 ppm2      2.392 CV     1
 ASSI {  228}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      5.200     3.400     0.800 peak   228 spectrum    1 weight  0.11000E+01 volume  0.16568E-03 ppm1      8.628 ppm2      2.725 CV     1
 ASSI {  231}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HE2 ))
      3.900     1.900     1.900 peak   231 spectrum    1 weight  0.11000E+01 volume  0.83933E-03 ppm1      9.549 ppm2      7.569 CV     1
 ASSI {  233}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HB1 ))
      4.700     2.800     1.300 peak   233 spectrum    1 weight  0.11000E+01 volume  0.10312E-03 ppm1      8.615 ppm2      3.227 CV     1
 ASSI {  234}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HE2 ))
      4.200     2.200     1.800 peak   234 spectrum    1 weight  0.11000E+01 volume  0.48119E-03 ppm1      8.623 ppm2      7.573 CV     1
 ASSI {  239}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.600     1.600     1.600 peak   239 spectrum    1 weight  0.11000E+01 volume  0.65286E-03 ppm1      9.549 ppm2      4.839 CV     1
 ASSI {  240}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.900     1.100     1.100 peak   240 spectrum    1 weight  0.11000E+01 volume  0.20557E-02 ppm1      9.547 ppm2      8.806 CV     1
 ASSI {  243}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.000     1.100     1.100 peak   243 spectrum    1 weight  0.11000E+01 volume  0.23937E-02 ppm1      8.838 ppm2      1.668 CV     1
 OR {  243}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI {  244}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HD2 ))
      3.800     1.800     1.800 peak   244 spectrum    1 weight  0.11000E+01 volume  0.41094E-03 ppm1      8.839 ppm2      1.334 CV     1
 OR {  244}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HD1 ))
 ASSI {  245}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
      2.800     1.000     1.000 peak   245 spectrum    1 weight  0.11000E+01 volume  0.20138E-02 ppm1      8.800 ppm2      3.814 CV     1
 OR {  245}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
 ASSI {  247}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.600     1.600     1.600 peak   247 spectrum    1 weight  0.11000E+01 volume  0.10006E-02 ppm1      8.799 ppm2      5.342 CV     1
 ASSI {  249}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.300     1.300     1.300 peak   249 spectrum    1 weight  0.11000E+01 volume  0.37345E-02 ppm1      7.870 ppm2      3.164 CV     1
 ASSI {  250}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.400     2.400     3.600 peak   250 spectrum    1 weight  0.11000E+01 volume  0.45861E-02 ppm1      7.871 ppm2      3.248 CV     1
 ASSI {  251}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 25   and name HB1 ))
      3.000     1.100     1.100 peak   251 spectrum    1 weight  0.11000E+01 volume  0.17465E-02 ppm1      7.181 ppm2      3.246 CV     1
 ASSI {  254}
   (  segid "    " and resid 25   and name HE% )
   (  segid "    " and resid 25   and name HD% )
      2.100     0.500     0.500 peak   254 spectrum    1 weight  0.11000E+01 volume  0.10294E-01 ppm1      7.332 ppm2      7.182 CV     1
 ASSI {  260}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.500     2.500     3.500 peak   260 spectrum    1 weight  0.11000E+01 volume  0.54078E-02 ppm1      8.142 ppm2      4.405 CV     1
 ASSI {  263}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.800     2.800     3.200 peak   263 spectrum    1 weight  0.11000E+01 volume  0.21848E-02 ppm1      8.142 ppm2      1.353 CV     1
 ASSI {  264}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.400     1.500     1.500 peak   264 spectrum    1 weight  0.11000E+01 volume  0.19114E-02 ppm1      8.142 ppm2      1.280 CV     1
 ASSI {  267}
   (( segid "    " and resid 5    and name HD21))
   (( segid "    " and resid 5    and name HB1 ))
      3.300     1.400     1.400 peak   267 spectrum    1 weight  0.11000E+01 volume  0.82794E-03 ppm1      7.586 ppm2      2.906 CV     1
 ASSI {  268}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      3.200     1.200     1.200 peak   268 spectrum    1 weight  0.11000E+01 volume  0.12234E-02 ppm1      9.354 ppm2      8.692 CV     1
 ASSI {  270}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.100     0.600     0.600 peak   270 spectrum    1 weight  0.11000E+01 volume  0.10720E-01 ppm1      8.407 ppm2      4.119 CV     1
 ASSI {  271}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.400     0.700     0.700 peak   271 spectrum    1 weight  0.11000E+01 volume  0.52119E-02 ppm1      8.121 ppm2      4.778 CV     1
 ASSI {  272}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.400     0.700     0.700 peak   272 spectrum    1 weight  0.11000E+01 volume  0.58018E-02 ppm1      8.686 ppm2      4.605 CV     1
 ASSI {  273}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB  ))
      2.600     0.900     0.900 peak   273 spectrum    1 weight  0.11000E+01 volume  0.40078E-02 ppm1      8.688 ppm2      1.839 CV     1
 ASSI {  274}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      4.300     2.300     1.700 peak   274 spectrum    1 weight  0.11000E+01 volume  0.78262E-03 ppm1      8.685 ppm2      0.751 CV     1
 ASSI {  275}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.200     0.600     0.600 peak   275 spectrum    1 weight  0.11000E+01 volume  0.79789E-02 ppm1      8.246 ppm2      4.235 CV     1
 ASSI {  276}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.300     0.700     0.700 peak   276 spectrum    1 weight  0.11000E+01 volume  0.74829E-02 ppm1      8.376 ppm2      4.288 CV     1
 ASSI {  277}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      3.700     1.700     1.700 peak   277 spectrum    1 weight  0.11000E+01 volume  0.10167E-02 ppm1      8.374 ppm2      1.939 CV     1
 ASSI {  278}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      3.300     1.400     1.400 peak   278 spectrum    1 weight  0.11000E+01 volume  0.18064E-02 ppm1      8.378 ppm2      0.847 CV     1
 ASSI {  280}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HD2 ))
      2.900     2.900     3.100 peak   280 spectrum    1 weight  0.11000E+01 volume  0.12093E-02 ppm1      8.057 ppm2      3.851 CV     1
 ASSI {  281}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA1 ))
      2.400     0.700     0.700 peak   281 spectrum    1 weight  0.11000E+01 volume  0.64712E-02 ppm1      8.680 ppm2      3.961 CV     1
 OR {  281}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA2 ))
 ASSI {  285}
   (( segid "    " and resid 37   and name HD2 ))
   (( segid "    " and resid 37   and name HB2 ))
      3.700     1.700     1.700 peak   285 spectrum    1 weight  0.11000E+01 volume  0.70809E-03 ppm1      3.870 ppm2      2.337 CV     1
 OR {  285}
   (( segid "    " and resid 37   and name HD2 ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {  287}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.800     1.800     1.800 peak   287 spectrum    1 weight  0.11000E+01 volume  0.42972E-03 ppm1      9.357 ppm2      4.234 CV     1
 ASSI {  288}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      4.500     2.600     1.500 peak   288 spectrum    1 weight  0.11000E+01 volume  0.27029E-03 ppm1      8.246 ppm2      5.325 CV     1
 ASSI {  289}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 3    and name HD1%)
      3.500     3.500     2.500 peak   289 spectrum    1 weight  0.11000E+01 volume  0.12381E-02 ppm1      8.799 ppm2      0.736 CV     1
 ASSI {  290}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      4.000     2.000     2.000 peak   290 spectrum    1 weight  0.11000E+01 volume  0.66202E-03 ppm1      7.403 ppm2      1.732 CV     1
 OR {  290}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  291}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      3.400     1.500     1.500 peak   291 spectrum    1 weight  0.11000E+01 volume  0.78186E-03 ppm1      9.359 ppm2      1.953 CV     1
 ASSI {  292}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      4.300     2.300     1.700 peak   292 spectrum    1 weight  0.11000E+01 volume  0.33970E-03 ppm1      9.356 ppm2      3.222 CV     1
 ASSI {  293}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.100     1.200     1.200 peak   293 spectrum    1 weight  0.11000E+01 volume  0.16073E-02 ppm1      9.229 ppm2      2.725 CV     1
 ASSI {  294}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      4.000     2.000     2.000 peak   294 spectrum    1 weight  0.11000E+01 volume  0.41418E-03 ppm1      9.228 ppm2      2.394 CV     1
 ASSI {  295}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG11))
      4.100     2.100     1.900 peak   295 spectrum    1 weight  0.11000E+01 volume  0.65550E-03 ppm1      9.230 ppm2      1.318 CV     1
 OR {  295}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG12))
 ASSI {  296}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      3.600     1.600     1.600 peak   296 spectrum    1 weight  0.11000E+01 volume  0.69621E-03 ppm1      9.359 ppm2      0.859 CV     1
 OR {  296}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
 ASSI {  297}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.400     1.500     1.500 peak   297 spectrum    1 weight  0.11000E+01 volume  0.10055E-02 ppm1      9.548 ppm2      1.668 CV     1
 OR {  297}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI {  299}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.500     1.500     1.500 peak   299 spectrum    1 weight  0.11000E+01 volume  0.11337E-02 ppm1      8.838 ppm2      4.089 CV     1
 OR {  299}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  300}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.600     0.900     0.900 peak   300 spectrum    1 weight  0.11000E+01 volume  0.36007E-02 ppm1      8.838 ppm2      4.000 CV     1
 ASSI {  302}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 29   and name HG2 ))
      3.900     3.900     2.100 peak   302 spectrum    1 weight  0.11000E+01 volume  0.42292E-03 ppm1      8.800 ppm2      1.146 CV     1
 ASSI {  303}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.800     1.800     1.800 peak   303 spectrum    1 weight  0.11000E+01 volume  0.62492E-03 ppm1      8.799 ppm2      3.222 CV     1
 ASSI {  304}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.300     1.300     1.300 peak   304 spectrum    1 weight  0.11000E+01 volume  0.87463E-03 ppm1      8.801 ppm2      3.070 CV     1
 ASSI {  306}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.900     1.900     1.900 peak   306 spectrum    1 weight  0.11000E+01 volume  0.44399E-03 ppm1      8.799 ppm2      2.613 CV     1
 ASSI {  307}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 37   and name HG1 ))
      3.900     1.900     1.900 peak   307 spectrum    1 weight  0.10000E+01 volume  0.58517E-03 ppm1      8.706 ppm2      2.055 CV     1
 OR {  307}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 37   and name HG2 ))
 ASSI {  308}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      4.100     4.100     1.900 peak   308 spectrum    1 weight  0.11000E+01 volume  0.43946E-03 ppm1      8.687 ppm2      0.662 CV     1
 ASSI {  309}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.400     1.500     1.500 peak   309 spectrum    1 weight  0.11000E+01 volume  0.13222E-02 ppm1      8.614 ppm2      0.941 CV     1
 ASSI {  310}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 3    and name HA  ))
      3.100     1.200     1.200 peak   310 spectrum    1 weight  0.11000E+01 volume  0.13155E-02 ppm1      5.320 ppm2      4.234 CV     1
 ASSI {  312}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.500     1.600     1.600 peak   312 spectrum    1 weight  0.11000E+01 volume  0.50848E-03 ppm1      8.570 ppm2      2.339 CV     1
 ASSI {  314}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      4.300     2.300     1.700 peak   314 spectrum    1 weight  0.11000E+01 volume  0.39574E-03 ppm1      8.568 ppm2      4.616 CV     1
 ASSI {  315}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 38   and name HD1 ))
      2.500     0.800     0.800 peak   315 spectrum    1 weight  0.11000E+01 volume  0.74677E-02 ppm1      8.401 ppm2      2.053 CV     1
 OR {  315}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 38   and name HD2 ))
 ASSI {  316}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      4.600     2.600     1.400 peak   316 spectrum    1 weight  0.11000E+01 volume  0.42204E-03 ppm1      8.403 ppm2      2.394 CV     1
 ASSI {  318}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG11))
      3.300     1.400     1.400 peak   318 spectrum    1 weight  0.11000E+01 volume  0.16744E-02 ppm1      8.245 ppm2      1.186 CV     1
 ASSI {  319}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HD% )
      3.700     1.700     1.700 peak   319 spectrum    1 weight  0.11000E+01 volume  0.86917E-03 ppm1      8.145 ppm2      7.188 CV     1
 ASSI {  320}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HG11))
      2.900     1.000     1.000 peak   320 spectrum    1 weight  0.11000E+01 volume  0.15775E-02 ppm1      8.117 ppm2      1.185 CV     1
 ASSI {  322}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HB% )
      3.400     1.400     1.400 peak   322 spectrum    1 weight  0.11000E+01 volume  0.14629E-02 ppm1      8.000 ppm2      1.490 CV     1
 ASSI {  323}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 22   and name HA1 ))
      3.700     1.700     1.700 peak   323 spectrum    1 weight  0.11000E+01 volume  0.51497E-03 ppm1      8.052 ppm2      4.157 CV     1
 ASSI {  324}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.600     1.600     1.600 peak   324 spectrum    1 weight  0.11000E+01 volume  0.16199E-02 ppm1      8.056 ppm2      4.288 CV     1
 ASSI {  325}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG12))
      3.200     1.200     1.200 peak   325 spectrum    1 weight  0.11000E+01 volume  0.10844E-02 ppm1      7.973 ppm2      1.317 CV     1
 OR {  325}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG11))
 ASSI {  326}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      4.000     2.000     2.000 peak   326 spectrum    1 weight  0.11000E+01 volume  0.40803E-03 ppm1      7.975 ppm2      2.502 CV     1
 ASSI {  329}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.100     1.200     1.200 peak   329 spectrum    1 weight  0.11000E+01 volume  0.14156E-02 ppm1      7.971 ppm2      4.663 CV     1
 ASSI {  330}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 31   and name HA2 ))
      3.400     1.500     1.500 peak   330 spectrum    1 weight  0.11000E+01 volume  0.87138E-03 ppm1      7.912 ppm2      4.115 CV     1
 OR {  330}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 31   and name HA1 ))
 ASSI {  334}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 15   and name HD2%)
      4.500     2.500     1.500 peak   334 spectrum    1 weight  0.11000E+01 volume  0.25397E-03 ppm1      7.869 ppm2      0.861 CV     1
 ASSI {  335}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.500     2.500     1.500 peak   335 spectrum    1 weight  0.11000E+01 volume  0.15068E-03 ppm1      9.015 ppm2      7.797 CV     1
 ASSI {  340}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      3.800     3.800     2.200 peak   340 spectrum    1 weight  0.11000E+01 volume  0.21743E-03 ppm1      7.791 ppm2      0.620 CV     1
 ASSI {  341}
   (( segid "    " and resid 34   and name HE2 ))
   (( segid "    " and resid 29   and name HG2 ))
      3.300     3.300     2.700 peak   341 spectrum    1 weight  0.11000E+01 volume  0.56126E-03 ppm1      7.566 ppm2      1.144 CV     1
 ASSI {  342}
   (( segid "    " and resid 34   and name HE2 ))
   (( segid "    " and resid 32   and name HD2 ))
      4.400     2.400     1.600 peak   342 spectrum    1 weight  0.11000E+01 volume  0.19952E-03 ppm1      7.566 ppm2      1.574 CV     1
 OR {  342}
   (( segid "    " and resid 34   and name HE2 ))
   (( segid "    " and resid 32   and name HD1 ))
 ASSI {  343}
   (( segid "    " and resid 34   and name HE2 ))
   (( segid "    " and resid 32   and name HB2 ))
      5.300     3.400     0.700 peak   343 spectrum    1 weight  0.11000E+01 volume  0.52052E-04 ppm1      7.570 ppm2      1.797 CV     1
 ASSI {  344}
   (( segid "    " and resid 34   and name HE2 ))
   (  segid "    " and resid 3    and name HG2%)
      3.900     1.900     1.900 peak   344 spectrum    1 weight  0.11000E+01 volume  0.39670E-03 ppm1      7.569 ppm2      0.669 CV     1
 ASSI {  346}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 10   and name HG2%)
      3.500     3.500     2.500 peak   346 spectrum    1 weight  0.11000E+01 volume  0.34327E-03 ppm1      7.406 ppm2      1.188 CV     1
 ASSI {  347}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HG11))
      2.700     0.900     0.900 peak   347 spectrum    1 weight  0.11000E+01 volume  0.24846E-02 ppm1      7.403 ppm2      1.318 CV     1
 OR {  347}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HG12))
 ASSI {  348}
   (( segid "    " and resid 34   and name HE2 ))
   (( segid "    " and resid 3    and name HG12))
      4.300     2.300     1.700 peak   348 spectrum    1 weight  0.11000E+01 volume  0.33069E-03 ppm1      7.568 ppm2     -0.106 CV     1
 ASSI {  350}
   (( segid "    " and resid 13   and name HE22))
   (( segid "    " and resid 9    and name HN  ))
      4.300     2.300     1.700 peak   350 spectrum    1 weight  0.11000E+01 volume  0.25413E-03 ppm1      7.049 ppm2      9.259 CV     1
 ASSI {  353}
   (  segid "    " and resid 25   and name HE% )
   (  segid "    " and resid 36   and name HG2%)
      4.300     2.300     1.700 peak   353 spectrum    1 weight  0.11000E+01 volume  0.29720E-03 ppm1      7.332 ppm2      1.399 CV     1
 ASSI {  354}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 36   and name HB  ))
      2.600     0.800     0.800 peak   354 spectrum    1 weight  0.11000E+01 volume  0.19769E-02 ppm1      7.182 ppm2      3.988 CV     1
 ASSI {  355}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 17   and name HD2 ))
      3.800     1.800     1.800 peak   355 spectrum    1 weight  0.11000E+01 volume  0.32112E-03 ppm1      7.187 ppm2      3.507 CV     1
 ASSI {  359}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 24   and name HB2 ))
      5.200     3.400     0.800 peak   359 spectrum    1 weight  0.11000E+01 volume  0.17588E-03 ppm1      7.179 ppm2      1.273 CV     1
 ASSI {  360}
   (( segid "    " and resid 24   and name HE  ))
   (  segid "    " and resid 36   and name HG2%)
      4.000     2.000     2.000 peak   360 spectrum    1 weight  0.11000E+01 volume  0.32756E-03 ppm1      6.776 ppm2      1.396 CV     1
 ASSI {  366}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      4.300     2.300     1.700 peak   366 spectrum    1 weight  0.11000E+01 volume  0.70975E-03 ppm1      5.331 ppm2      2.662 CV     1
 ASSI {  369}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HG12))
      3.200     1.200     1.200 peak   369 spectrum    1 weight  0.11000E+01 volume  0.23725E-02 ppm1      0.689 ppm2     -0.101 CV     1
 ASSI {  370}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HG11))
      3.200     1.300     1.300 peak   370 spectrum    1 weight  0.11000E+01 volume  0.28595E-02 ppm1      8.379 ppm2      1.236 CV     1
 ASSI {  371}
   (( segid "    " and resid 3    and name HG12))
   (( segid "    " and resid 3    and name HG11))
      1.900     0.400     0.400 peak   371 spectrum    1 weight  0.11000E+01 volume  0.12357E-01 ppm1     -0.089 ppm2      1.232 CV     1
 ASSI {  377}
   (( segid "    " and resid 3    and name HG12))
   (( segid "    " and resid 3    and name HB  ))
      3.300     1.300     1.300 peak   377 spectrum    1 weight  0.11000E+01 volume  0.78829E-03 ppm1     -0.103 ppm2      1.519 CV     1
 ASSI {  378}
   (( segid "    " and resid 3    and name HG12))
   (( segid "    " and resid 3    and name HA  ))
      3.300     1.300     1.300 peak   378 spectrum    1 weight  0.11000E+01 volume  0.14888E-02 ppm1     -0.088 ppm2      4.234 CV     1
 ASSI {  381}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HA  ))
      3.000     1.100     1.100 peak   381 spectrum    1 weight  0.11000E+01 volume  0.18007E-02 ppm1      0.681 ppm2      4.237 CV     1
 ASSI {  383}
   (( segid "    " and resid 3    and name HG11))
   (( segid "    " and resid 3    and name HA  ))
      4.100     2.100     1.900 peak   383 spectrum    1 weight  0.11000E+01 volume  0.36598E-03 ppm1      1.238 ppm2      4.235 CV     1
 ASSI {  384}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 3    and name HD1%)
      3.100     1.200     1.200 peak   384 spectrum    1 weight  0.11000E+01 volume  0.23353E-02 ppm1      1.538 ppm2      0.740 CV     1
 ASSI {  385}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 3    and name HG2%)
      2.700     0.900     0.900 peak   385 spectrum    1 weight  0.11000E+01 volume  0.28099E-02 ppm1      1.538 ppm2      0.673 CV     1
 ASSI {  393}
   (( segid "    " and resid 10   and name HG12))
   (  segid "    " and resid 10   and name HD1%)
      2.200     0.600     0.600 peak   393 spectrum    1 weight  0.11000E+01 volume  0.80003E-02 ppm1      1.344 ppm2      0.938 CV     1
 OR {  393}
   (( segid "    " and resid 10   and name HG11))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  395}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HG1 ))
      1.600     0.300     0.600 peak   395 spectrum    1 weight  0.11000E+01 volume  0.28882E-01 ppm1      1.057 ppm2      1.168 CV     1
 ASSI {  398}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 10   and name HG12))
      1.700     1.700     4.300 peak   398 spectrum    1 weight  0.11000E+01 volume  0.59479E-01 ppm1      1.189 ppm2      1.314 CV     1
 OR {  398}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 10   and name HG11))
 ASSI {  402}
   (( segid "    " and resid 6    and name HB  ))
   (  segid "    " and resid 6    and name HG2%)
      2.300     0.700     0.700 peak   402 spectrum    1 weight  0.11000E+01 volume  0.66024E-02 ppm1      1.444 ppm2      0.908 CV     1
 ASSI {  404}
   (  segid "    " and resid 4    and name HD1%)
   (  segid "    " and resid 21   and name HB% )
      3.700     3.700     2.300 peak   404 spectrum    1 weight  0.11000E+01 volume  0.56993E-03 ppm1      0.638 ppm2      1.490 CV     1
 ASSI {  405}
   (  segid "    " and resid 21   and name HB% )
   (  segid "    " and resid 4    and name HG2%)
      2.400     2.400     3.600 peak   405 spectrum    1 weight  0.11000E+01 volume  0.32602E-02 ppm1      1.509 ppm2      0.751 CV     1
 ASSI {  408}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      4.800     2.900     1.200 peak   408 spectrum    1 weight  0.11000E+01 volume  0.37944E-03 ppm1      8.688 ppm2      0.624 CV     1
 ASSI {  409}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 4    and name HD1%)
      3.000     3.000     3.000 peak   409 spectrum    1 weight  0.11000E+01 volume  0.13861E-02 ppm1      1.665 ppm2      0.618 CV     1
 ASSI {  414}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HD1 ))
      1.800     0.400     0.400 peak   414 spectrum    1 weight  0.11000E+01 volume  0.29035E-01 ppm1      1.435 ppm2      1.551 CV     1
 OR {  414}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HD2 ))
 ASSI {  415}
   (( segid "    " and resid 4    and name HB  ))
   (  segid "    " and resid 4    and name HD1%)
      2.800     1.000     1.000 peak   415 spectrum    1 weight  0.11000E+01 volume  0.23417E-02 ppm1      1.848 ppm2      0.617 CV     1
 ASSI {  417}
   (( segid "    " and resid 4    and name HB  ))
   (  segid "    " and resid 4    and name HG2%)
      2.400     0.700     0.700 peak   417 spectrum    1 weight  0.11000E+01 volume  0.55887E-02 ppm1      1.843 ppm2      0.756 CV     1
 ASSI {  420}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 3    and name HG2%)
      3.600     1.600     1.600 peak   420 spectrum    1 weight  0.11000E+01 volume  0.48742E-03 ppm1      1.986 ppm2      0.663 CV     1
 ASSI {  423}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 2    and name HG1%)
      2.300     0.600     0.600 peak   423 spectrum    1 weight  0.11000E+01 volume  0.82655E-02 ppm1      1.960 ppm2      0.853 CV     1
 OR {  423}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 2    and name HG2%)
 ASSI {  425}
   (( segid "    " and resid 15   and name HB1 ))
   (  segid "    " and resid 15   and name HD2%)
      2.800     1.000     1.000 peak   425 spectrum    1 weight  0.11000E+01 volume  0.20667E-02 ppm1      1.841 ppm2      0.857 CV     1
 ASSI {  427}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 15   and name HD2%)
      3.000     1.100     1.100 peak   427 spectrum    1 weight  0.11000E+01 volume  0.24354E-02 ppm1      1.752 ppm2      0.858 CV     1
 ASSI {  428}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 24   and name HG2 ))
      4.600     2.700     1.400 peak   428 spectrum    1 weight  0.11000E+01 volume  0.23488E-03 ppm1      1.368 ppm2      1.047 CV     1
 OR {  428}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 24   and name HG2 ))
 ASSI {  430}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 12   and name HG2 ))
      5.200     3.300     0.800 peak   430 spectrum    1 weight  0.11000E+01 volume  0.10150E-03 ppm1      0.942 ppm2      1.730 CV     1
 OR {  430}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  431}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 15   and name HD1%)
      2.700     0.900     0.900 peak   431 spectrum    1 weight  0.11000E+01 volume  0.23817E-02 ppm1      1.736 ppm2      1.014 CV     1
 ASSI {  435}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 4    and name HG11))
      2.300     0.700     0.700 peak   435 spectrum    1 weight  0.11000E+01 volume  0.46300E-02 ppm1      1.848 ppm2      1.187 CV     1
 ASSI {  438}
   (( segid "    " and resid 6    and name HB  ))
   (  segid "    " and resid 4    and name HD1%)
      3.100     1.200     1.200 peak   438 spectrum    1 weight  0.11000E+01 volume  0.15911E-02 ppm1      1.447 ppm2      0.618 CV     1
 ASSI {  442}
   (( segid "    " and resid 9    and name HG1 ))
   (( segid "    " and resid 9    and name HD1 ))
      2.000     0.500     0.500 peak   442 spectrum    1 weight  0.11000E+01 volume  0.19969E-01 ppm1      1.440 ppm2      1.673 CV     1
 OR {  442}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HD2 ))
 OR {  442}
   (( segid "    " and resid 9    and name HG1 ))
   (( segid "    " and resid 9    and name HD2 ))
 OR {  442}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HD1 ))
 ASSI {  443}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HG1 ))
      2.000     0.500     0.500 peak   443 spectrum    1 weight  0.11000E+01 volume  0.16052E-01 ppm1      1.837 ppm2      1.407 CV     1
 ASSI {  447}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 19   and name HB1 ))
      4.000     2.000     2.000 peak   447 spectrum    1 weight  0.11000E+01 volume  0.27652E-03 ppm1      1.538 ppm2      1.941 CV     1
 OR {  447}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI {  449}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 9    and name HB2 ))
      3.700     1.700     1.700 peak   449 spectrum    1 weight  0.11000E+01 volume  0.85930E-03 ppm1      1.557 ppm2      1.814 CV     1
 OR {  449}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  451}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB2 ))
      4.900     3.000     1.100 peak   451 spectrum    1 weight  0.10000E+01 volume  0.61663E-04 ppm1      1.354 ppm2      1.816 CV     1
 ASSI {  453}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG2 ))
      1.800     0.400     0.400 peak   453 spectrum    1 weight  0.11000E+01 volume  0.39077E-01 ppm1      1.943 ppm2      1.733 CV     1
 OR {  453}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HG1 ))
 OR {  453}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  453}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  457}
   (( segid "    " and resid 38   and name HD2 ))
   (( segid "    " and resid 38   and name HG1 ))
      1.900     0.400     0.400 peak   457 spectrum    1 weight  0.11000E+01 volume  0.24390E-01 ppm1      2.061 ppm2      1.753 CV     1
 OR {  457}
   (( segid "    " and resid 38   and name HD1 ))
   (( segid "    " and resid 38   and name HG2 ))
 OR {  457}
   (( segid "    " and resid 38   and name HD1 ))
   (( segid "    " and resid 38   and name HG1 ))
 OR {  457}
   (( segid "    " and resid 38   and name HD2 ))
   (( segid "    " and resid 38   and name HG2 ))
 ASSI {  458}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HB  ))
      2.900     1.000     1.000 peak   458 spectrum    1 weight  0.11000E+01 volume  0.15066E-02 ppm1      8.613 ppm2      2.178 CV     1
 ASSI {  459}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HG11))
      3.200     1.200     1.200 peak   459 spectrum    1 weight  0.11000E+01 volume  0.19214E-02 ppm1      8.612 ppm2      1.318 CV     1
 OR {  459}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HG12))
 ASSI {  460}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 17   and name HB1 ))
      3.700     3.700     2.300 peak   460 spectrum    1 weight  0.11000E+01 volume  0.89128E-03 ppm1      0.631 ppm2      2.313 CV     1
 ASSI {  468}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
      2.700     0.900     0.900 peak   468 spectrum    1 weight  0.11000E+01 volume  0.32359E-02 ppm1      0.767 ppm2      4.606 CV     1
 ASSI {  473}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 37   and name HD2 ))
      6.000     4.500     0.000 peak   473 spectrum    1 weight  0.11000E+01 volume  0.98819E-04 ppm1      0.878 ppm2      3.858 CV     1
 ASSI {  475}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 15   and name HD1%)
      3.900     1.900     1.900 peak   475 spectrum    1 weight  0.11000E+01 volume  0.44667E-03 ppm1      4.085 ppm2      1.010 CV     1
 OR {  475}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 15   and name HD1%)
 ASSI {  478}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak   478 spectrum    1 weight  0.11000E+01 volume  0.46970E-02 ppm1      2.185 ppm2      4.887 CV     1
 ASSI {  479}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HA  ))
      3.300     1.300     1.300 peak   479 spectrum    1 weight  0.11000E+01 volume  0.99213E-03 ppm1      1.411 ppm2      4.951 CV     1
 ASSI {  480}
   (( segid "    " and resid 37   and name HD2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.700     0.900     0.900 peak   480 spectrum    1 weight  0.11000E+01 volume  0.36927E-02 ppm1      3.863 ppm2      4.952 CV     1
 ASSI {  484}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 32   and name HA  ))
      4.300     2.300     1.700 peak   484 spectrum    1 weight  0.11000E+01 volume  0.35711E-03 ppm1      1.573 ppm2      5.402 CV     1
 OR {  484}
   (( segid "    " and resid 32   and name HD1 ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  487}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.200     1.300     1.300 peak   487 spectrum    1 weight  0.11000E+01 volume  0.14848E-02 ppm1      2.664 ppm2      5.330 CV     1
 ASSI {  488}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      2.600     0.900     0.900 peak   488 spectrum    1 weight  0.11000E+01 volume  0.45110E-02 ppm1      3.072 ppm2      5.327 CV     1
 ASSI {  490}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      3.600     1.700     1.700 peak   490 spectrum    1 weight  0.11000E+01 volume  0.69144E-03 ppm1      3.255 ppm2      5.326 CV     1
 ASSI {  493}
   (( segid "    " and resid 10   and name HB  ))
   (  segid "    " and resid 10   and name HD1%)
      2.200     2.200     3.800 peak   493 spectrum    1 weight  0.11000E+01 volume  0.11884E-01 ppm1      2.184 ppm2      0.952 CV     1
 ASSI {  495}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 13   and name HG1 ))
      4.400     2.400     1.600 peak   495 spectrum    1 weight  0.11000E+01 volume  0.69973E-03 ppm1      1.177 ppm2      2.217 CV     1
 OR {  495}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 13   and name HG2 ))
 ASSI {  497}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 10   and name HG11))
      2.400     0.700     0.700 peak   497 spectrum    1 weight  0.11000E+01 volume  0.49984E-02 ppm1      2.222 ppm2      1.321 CV     1
 OR {  497}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 10   and name HG11))
 OR {  497}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 10   and name HG12))
 ASSI {  498}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HG1 ))
      3.200     1.300     1.300 peak   498 spectrum    1 weight  0.11000E+01 volume  0.12391E-02 ppm1      2.223 ppm2      1.581 CV     1
 ASSI {  501}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HB2 ))
      1.800     0.400     0.400 peak   501 spectrum    1 weight  0.11000E+01 volume  0.18404E-01 ppm1      2.320 ppm2      1.652 CV     1
 ASSI {  504}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HG1 ))
      2.400     0.700     0.700 peak   504 spectrum    1 weight  0.11000E+01 volume  0.59271E-02 ppm1      2.337 ppm2      1.751 CV     1
 OR {  504}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HG2 ))
 ASSI {  513}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 4    and name HG11))
      2.600     0.900     0.900 peak   513 spectrum    1 weight  0.11000E+01 volume  0.31880E-02 ppm1      2.556 ppm2      1.185 CV     1
 ASSI {  514}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB2 ))
      2.300     0.700     0.700 peak   514 spectrum    1 weight  0.11000E+01 volume  0.79008E-02 ppm1      2.104 ppm2      1.663 CV     1
 OR {  514}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  515}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HG1 ))
      2.400     0.700     0.700 peak   515 spectrum    1 weight  0.10000E+01 volume  0.56309E-02 ppm1      2.421 ppm2      1.752 CV     1
 OR {  515}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HG2 ))
 ASSI {  517}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HG1 ))
      1.800     0.400     0.400 peak   517 spectrum    1 weight  0.11000E+01 volume  0.28611E-01 ppm1      2.511 ppm2      2.217 CV     1
 OR {  517}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HG2 ))
 ASSI {  519}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HB1 ))
      1.900     0.400     0.400 peak   519 spectrum    1 weight  0.11000E+01 volume  0.27586E-01 ppm1      2.226 ppm2      2.592 CV     1
 OR {  519}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  522}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 4    and name HD1%)
      3.700     1.700     1.700 peak   522 spectrum    1 weight  0.11000E+01 volume  0.92858E-03 ppm1      2.653 ppm2      0.618 CV     1
 ASSI {  524}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 4    and name HG12))
      4.000     2.000     2.000 peak   524 spectrum    1 weight  0.11000E+01 volume  0.94750E-03 ppm1      2.647 ppm2      1.038 CV     1
 ASSI {  527}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 4    and name HG11))
      4.100     2.100     1.900 peak   527 spectrum    1 weight  0.11000E+01 volume  0.12235E-02 ppm1      2.650 ppm2      1.185 CV     1
 ASSI {  528}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 6    and name HB  ))
      3.300     1.400     1.400 peak   528 spectrum    1 weight  0.11000E+01 volume  0.18564E-02 ppm1      2.652 ppm2      1.424 CV     1
 ASSI {  529}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HB1 ))
      1.600     0.300     0.600 peak   529 spectrum    1 weight  0.11000E+01 volume  0.26024E-01 ppm1      2.399 ppm2      2.727 CV     1
 ASSI {  532}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HD1 ))
      3.100     1.200     1.200 peak   532 spectrum    1 weight  0.11000E+01 volume  0.13387E-02 ppm1      1.058 ppm2      2.834 CV     1
 OR {  532}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HD2 ))
 ASSI {  533}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 24   and name HG1 ))
      2.800     1.000     1.000 peak   533 spectrum    1 weight  0.11000E+01 volume  0.20252E-02 ppm1      2.846 ppm2      1.151 CV     1
 OR {  533}
   (( segid "    " and resid 24   and name HD2 ))
   (( segid "    " and resid 24   and name HG1 ))
 ASSI {  536}
   (( segid "    " and resid 24   and name HD2 ))
   (( segid "    " and resid 24   and name HB2 ))
      3.000     1.100     1.100 peak   536 spectrum    1 weight  0.11000E+01 volume  0.12865E-02 ppm1      2.838 ppm2      1.274 CV     1
 OR {  536}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  537}
   (( segid "    " and resid 24   and name HD2 ))
   (( segid "    " and resid 24   and name HB1 ))
      3.000     1.100     1.100 peak   537 spectrum    1 weight  0.11000E+01 volume  0.18621E-02 ppm1      2.840 ppm2      1.352 CV     1
 OR {  537}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI {  542}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 16   and name HD1 ))
      2.600     0.900     0.900 peak   542 spectrum    1 weight  0.11000E+01 volume  0.41062E-02 ppm1      2.902 ppm2      1.623 CV     1
 OR {  542}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  542}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI {  543}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HE1 ))
      3.300     1.300     1.300 peak   543 spectrum    1 weight  0.11000E+01 volume  0.17998E-02 ppm1      1.646 ppm2      2.908 CV     1
 OR {  543}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HE2 ))
 OR {  543}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HE2 ))
 OR {  543}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HE1 ))
 ASSI {  545}
   (( segid "    " and resid 9    and name HE1 ))
   (( segid "    " and resid 9    and name HD2 ))
      2.200     0.600     0.600 peak   545 spectrum    1 weight  0.11000E+01 volume  0.11044E-01 ppm1      2.981 ppm2      1.699 CV     1
 OR {  545}
   (( segid "    " and resid 9    and name HE2 ))
   (( segid "    " and resid 9    and name HD1 ))
 OR {  545}
   (( segid "    " and resid 9    and name HE2 ))
   (( segid "    " and resid 9    and name HD2 ))
 OR {  545}
   (( segid "    " and resid 9    and name HE1 ))
   (( segid "    " and resid 9    and name HD1 ))
 ASSI {  548}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 10   and name HB  ))
      2.700     2.700     3.300 peak   548 spectrum    1 weight  0.10000E+01 volume  0.18795E-02 ppm1      2.413 ppm2      2.182 CV     1
 ASSI {  555}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG1 ))
      2.500     0.800     0.800 peak   555 spectrum    1 weight  0.11000E+01 volume  0.44793E-02 ppm1      3.233 ppm2      1.734 CV     1
 OR {  555}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HG1 ))
 OR {  555}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  555}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  556}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB1 ))
      3.700     1.700     1.700 peak   556 spectrum    1 weight  0.11000E+01 volume  0.53187E-03 ppm1      3.239 ppm2      1.933 CV     1
 OR {  556}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  556}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HB1 ))
 OR {  556}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  560}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      1.700     0.300     0.500 peak   560 spectrum    1 weight  0.11000E+01 volume  0.27503E-01 ppm1      3.059 ppm2      3.220 CV     1
 ASSI {  566}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HD1 ))
      2.700     0.900     0.900 peak   566 spectrum    1 weight  0.11000E+01 volume  0.23357E-02 ppm1      2.095 ppm2      3.653 CV     1
 OR {  566}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {  567}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HD1 ))
      3.400     1.400     1.400 peak   567 spectrum    1 weight  0.11000E+01 volume  0.12125E-02 ppm1      2.342 ppm2      3.654 CV     1
 ASSI {  573}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 14   and name HB2 ))
      3.500     1.500     1.500 peak   573 spectrum    1 weight  0.11000E+01 volume  0.82089E-03 ppm1      3.814 ppm2      2.607 CV     1
 OR {  573}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  575}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 14   and name HB1 ))
      3.100     1.200     1.200 peak   575 spectrum    1 weight  0.11000E+01 volume  0.14011E-02 ppm1      3.814 ppm2      3.089 CV     1
 OR {  575}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {  577}
   (( segid "    " and resid 37   and name HG2 ))
   (( segid "    " and resid 37   and name HD2 ))
      2.300     0.700     0.700 peak   577 spectrum    1 weight  0.11000E+01 volume  0.67790E-02 ppm1      2.059 ppm2      3.865 CV     1
 OR {  577}
   (( segid "    " and resid 37   and name HG1 ))
   (( segid "    " and resid 37   and name HD2 ))
 ASSI {  579}
   (( segid "    " and resid 37   and name HG1 ))
   (( segid "    " and resid 37   and name HD1 ))
      2.400     0.700     0.700 peak   579 spectrum    1 weight  0.11000E+01 volume  0.49923E-02 ppm1      2.062 ppm2      3.911 CV     1
 OR {  579}
   (( segid "    " and resid 37   and name HG2 ))
   (( segid "    " and resid 37   and name HD1 ))
 ASSI {  580}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 23   and name HA  ))
      4.400     2.400     1.600 peak   580 spectrum    1 weight  0.11000E+01 volume  0.52628E-03 ppm1      1.056 ppm2      3.990 CV     1
 ASSI {  581}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      5.300     3.500     0.700 peak   581 spectrum    1 weight  0.11000E+01 volume  0.41587E-03 ppm1      1.294 ppm2      3.990 CV     1
 ASSI {  582}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 23   and name HA  ))
      2.900     2.900     3.100 peak   582 spectrum    1 weight  0.11000E+01 volume  0.26909E-02 ppm1      1.412 ppm2      3.986 CV     1
 ASSI {  583}
   (( segid "    " and resid 1    and name HA1 ))
   (  segid "    " and resid 36   and name HG2%)
      3.200     3.200     2.800 peak   583 spectrum    1 weight  0.11000E+01 volume  0.18165E-02 ppm1      3.974 ppm2      1.404 CV     1
 OR {  583}
   (( segid "    " and resid 1    and name HA2 ))
   (  segid "    " and resid 36   and name HG2%)
 ASSI {  584}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 37   and name HD1 ))
      3.900     1.900     1.900 peak   584 spectrum    1 weight  0.11000E+01 volume  0.13689E-02 ppm1      1.412 ppm2      3.920 CV     1
 ASSI {  594}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 36   and name HB  ))
      2.900     1.100     1.100 peak   594 spectrum    1 weight  0.11000E+01 volume  0.63150E-03 ppm1      3.171 ppm2      3.983 CV     1
 ASSI {  598}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 15   and name HB2 ))
      2.900     1.000     1.000 peak   598 spectrum    1 weight  0.11000E+01 volume  0.17759E-02 ppm1      4.087 ppm2      1.722 CV     1
 OR {  598}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 15   and name HB2 ))
 ASSI {  599}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      3.300     1.400     1.400 peak   599 spectrum    1 weight  0.10000E+01 volume  0.92865E-03 ppm1      1.937 ppm2      4.083 CV     1
 OR {  599}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  602}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 28   and name HB2 ))
      5.100     3.200     0.900 peak   602 spectrum    1 weight  0.11000E+01 volume  0.21851E-03 ppm1      4.082 ppm2      2.391 CV     1
 OR {  602}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI {  605}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
      4.100     2.100     1.900 peak   605 spectrum    1 weight  0.11000E+01 volume  0.67226E-03 ppm1      4.084 ppm2      1.933 CV     1
 OR {  605}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HB1 ))
 OR {  605}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  608}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB  ))
      3.700     1.700     1.700 peak   608 spectrum    1 weight  0.11000E+01 volume  0.55736E-03 ppm1      4.114 ppm2      1.427 CV     1
 ASSI {  609}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 22   and name HA1 ))
      5.000     3.100     1.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.25885E-03 ppm1      1.260 ppm2      4.143 CV     1
 ASSI {  611}
   (( segid "    " and resid 22   and name HA2 ))
   (( segid "    " and resid 22   and name HA1 ))
      1.800     0.400     0.400 peak   611 spectrum    1 weight  0.11000E+01 volume  0.15930E-01 ppm1      3.854 ppm2      4.151 CV     1
 ASSI {  612}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HA  ))
      4.300     2.300     1.700 peak   612 spectrum    1 weight  0.11000E+01 volume  0.47943E-03 ppm1      1.425 ppm2      4.814 CV     1
 ASSI {  613}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HA  ))
      4.100     2.100     1.900 peak   613 spectrum    1 weight  0.11000E+01 volume  0.39508E-03 ppm1      1.559 ppm2      4.815 CV     1
 OR {  613}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  614}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.100     1.200     1.200 peak   614 spectrum    1 weight  0.11000E+01 volume  0.99648E-03 ppm1      4.821 ppm2      1.709 CV     1
 ASSI {  617}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
      2.500     0.800     0.800 peak   617 spectrum    1 weight  0.11000E+01 volume  0.28558E-02 ppm1      2.398 ppm2      4.835 CV     1
 ASSI {  618}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HA  ))
      3.200     1.200     1.200 peak   618 spectrum    1 weight  0.11000E+01 volume  0.20075E-02 ppm1      2.738 ppm2      4.852 CV     1
 ASSI {  620}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 27   and name HA  ))
      4.400     2.400     1.600 peak   620 spectrum    1 weight  0.11000E+01 volume  0.29467E-03 ppm1      4.009 ppm2      4.601 CV     1
 ASSI {  623}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      3.700     1.700     1.700 peak   623 spectrum    1 weight  0.11000E+01 volume  0.51241E-02 ppm1      2.723 ppm2      4.671 CV     1
 ASSI {  624}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      2.800     1.000     1.000 peak   624 spectrum    1 weight  0.11000E+01 volume  0.36514E-02 ppm1      2.610 ppm2      4.780 CV     1
 ASSI {  625}
   (( segid "    " and resid 37   and name HD2 ))
   (  segid "    " and resid 36   and name HG2%)
      5.200     3.400     0.800 peak   625 spectrum    1 weight  0.11000E+01 volume  0.41738E-04 ppm1      3.860 ppm2      1.400 CV     1
 ASSI {  626}
   (( segid "    " and resid 1    and name HA2 ))
   (  segid "    " and resid 2    and name HG2%)
      4.900     3.000     1.100 peak   626 spectrum    1 weight  0.11000E+01 volume  0.25076E-03 ppm1      3.961 ppm2      0.854 CV     1
 OR {  626}
   (( segid "    " and resid 1    and name HA1 ))
   (  segid "    " and resid 2    and name HG2%)
 ASSI {  629}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 38   and name HA  ))
      4.200     2.200     1.800 peak   629 spectrum    1 weight  0.11000E+01 volume  0.12804E-02 ppm1      1.154 ppm2      4.624 CV     1
 ASSI {  631}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 29   and name HA  ))
      3.300     1.400     1.400 peak   631 spectrum    1 weight  0.11000E+01 volume  0.11208E-02 ppm1      1.605 ppm2      4.615 CV     1
 OR {  631}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 29   and name HA  ))
 ASSI {  634}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 38   and name HA  ))
      4.100     2.100     1.900 peak   634 spectrum    1 weight  0.11000E+01 volume  0.24797E-03 ppm1      1.765 ppm2      4.614 CV     1
 OR {  634}
   (( segid "    " and resid 38   and name HG1 ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  636}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak   636 spectrum    1 weight  0.11000E+01 volume  0.27399E-02 ppm1      2.056 ppm2      4.616 CV     1
 ASSI {  639}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      4.900     2.900     1.100 peak   639 spectrum    1 weight  0.11000E+01 volume  0.22868E-03 ppm1      3.156 ppm2      4.587 CV     1
 ASSI {  641}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 21   and name HA  ))
      2.400     0.700     0.700 peak   641 spectrum    1 weight  0.11000E+01 volume  0.65749E-02 ppm1      1.501 ppm2      4.506 CV     1
 ASSI {  643}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      3.400     1.400     1.400 peak   643 spectrum    1 weight  0.11000E+01 volume  0.11262E-02 ppm1      1.823 ppm2      4.479 CV     1
 ASSI {  645}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HA  ))
      4.000     2.000     2.000 peak   645 spectrum    1 weight  0.11000E+01 volume  0.60698E-03 ppm1      1.055 ppm2      4.412 CV     1
 ASSI {  646}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 24   and name HA  ))
      3.300     1.300     1.300 peak   646 spectrum    1 weight  0.11000E+01 volume  0.11253E-02 ppm1      1.165 ppm2      4.411 CV     1
 ASSI {  657}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      4.500     2.500     1.500 peak   657 spectrum    1 weight  0.11000E+01 volume  0.38458E-03 ppm1      4.267 ppm2      2.082 CV     1
 OR {  657}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {  658}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.400     1.500     1.500 peak   658 spectrum    1 weight  0.11000E+01 volume  0.12851E-02 ppm1      4.260 ppm2      1.939 CV     1
 ASSI {  659}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
      4.500     2.500     1.500 peak   659 spectrum    1 weight  0.10000E+01 volume  0.21326E-03 ppm1      1.985 ppm2      4.225 CV     1
 ASSI {  660}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      4.200     2.200     1.800 peak   660 spectrum    1 weight  0.11000E+01 volume  0.37622E-03 ppm1      4.260 ppm2      1.663 CV     1
 ASSI {  661}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 2    and name HA  ))
      4.400     2.500     1.600 peak   661 spectrum    1 weight  0.11000E+01 volume  0.78228E-03 ppm1      1.538 ppm2      4.277 CV     1
 ASSI {  665}
   (( segid "    " and resid 37   and name HG1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     1.300     1.300 peak   665 spectrum    1 weight  0.11000E+01 volume  0.15436E-02 ppm1      2.044 ppm2      4.465 CV     1
 OR {  665}
   (( segid "    " and resid 37   and name HG2 ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI {  667}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      3.800     1.800     1.800 peak   667 spectrum    1 weight  0.11000E+01 volume  0.34364E-03 ppm1      2.231 ppm2      4.637 CV     1
 ASSI {  668}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
      2.600     0.800     0.800 peak   668 spectrum    1 weight  0.11000E+01 volume  0.44958E-02 ppm1      2.414 ppm2      4.427 CV     1
 ASSI {  671}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
      2.400     0.700     0.700 peak   671 spectrum    1 weight  0.11000E+01 volume  0.52579E-02 ppm1      2.312 ppm2      4.268 CV     1
 ASSI {  672}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 13   and name HA  ))
      2.700     0.900     0.900 peak   672 spectrum    1 weight  0.11000E+01 volume  0.43367E-02 ppm1      2.229 ppm2      4.177 CV     1
 OR {  672}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  674}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     5.900     0.000 peak   674 spectrum    1 weight  0.11000E+01 volume  0.32456E-04 ppm1      3.650 ppm2      2.616 CV     1
 ASSI {  675}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HB2 ))
      1.500     0.300     0.700 peak   675 spectrum    1 weight  0.11000E+01 volume  0.24507E-01 ppm1      3.021 ppm2      2.401 CV     1
 ASSI {  678}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   678 spectrum    1 weight  0.11000E+01 volume  0.28989E-02 ppm1      2.518 ppm2      4.174 CV     1
 ASSI {  680}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
      2.700     0.900     0.900 peak   680 spectrum    1 weight  0.11000E+01 volume  0.30065E-02 ppm1      2.594 ppm2      4.178 CV     1
 ASSI {  682}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      3.000     1.100     1.100 peak   682 spectrum    1 weight  0.11000E+01 volume  0.21902E-02 ppm1      2.773 ppm2      4.361 CV     1
 ASSI {  684}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      2.800     1.000     1.000 peak   684 spectrum    1 weight  0.11000E+01 volume  0.27507E-02 ppm1      3.096 ppm2      4.363 CV     1
 ASSI {  686}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
      3.000     1.100     1.100 peak   686 spectrum    1 weight  0.11000E+01 volume  0.13222E-02 ppm1      3.024 ppm2      4.419 CV     1
 ASSI {  688}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.900     1.100     1.100 peak   688 spectrum    1 weight  0.11000E+01 volume  0.21699E-02 ppm1      4.446 ppm2      2.903 CV     1
 OR {  688}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI {  690}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      3.200     1.300     1.300 peak   690 spectrum    1 weight  0.11000E+01 volume  0.12802E-02 ppm1      3.172 ppm2      4.453 CV     1
 ASSI {  691}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
      2.700     0.900     0.900 peak   691 spectrum    1 weight  0.11000E+01 volume  0.27225E-02 ppm1      3.261 ppm2      4.456 CV     1
 ASSI {  694}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HA  ))
      4.900     3.000     1.100 peak   694 spectrum    1 weight  0.11000E+01 volume  0.10204E-03 ppm1      3.650 ppm2      4.269 CV     1
 ASSI {  700}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 9    and name HD2 ))
      1.500     0.300     0.700 peak   700 spectrum    1 weight  0.11000E+01 volume  0.82752E-01 ppm1      1.564 ppm2      1.682 CV     1
 OR {  700}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 9    and name HD2 ))
 OR {  700}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 9    and name HD1 ))
 ASSI {  701}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
      3.300     1.400     1.400 peak   701 spectrum    1 weight  0.11000E+01 volume  0.83733E-03 ppm1      5.405 ppm2      4.829 CV     1
 ASSI {  703}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.500     1.600     1.600 peak   703 spectrum    1 weight  0.11000E+01 volume  0.33956E-03 ppm1      8.709 ppm2      3.167 CV     1
 ASSI {  704}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 29   and name HG1 ))
      4.200     2.200     1.800 peak   704 spectrum    1 weight  0.11000E+01 volume  0.38197E-03 ppm1      8.799 ppm2      1.586 CV     1
 ASSI {  705}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      3.100     1.200     1.200 peak   705 spectrum    1 weight  0.11000E+01 volume  0.16771E-02 ppm1      8.243 ppm2      0.664 CV     1
 ASSI {  707}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 13   and name HG2 ))
      3.500     1.600     1.600 peak   707 spectrum    1 weight  0.11000E+01 volume  0.12668E-02 ppm1      3.035 ppm2      2.216 CV     1
 OR {  707}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 13   and name HG1 ))
 ASSI {  712}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HG12))
      5.000     3.100     1.000 peak   712 spectrum    1 weight  0.11000E+01 volume  0.28232E-03 ppm1      8.113 ppm2      1.041 CV     1
 ASSI {  713}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      5.100     3.300     0.900 peak   713 spectrum    1 weight  0.11000E+01 volume  0.21732E-03 ppm1      8.119 ppm2      0.621 CV     1
 ASSI {  715}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 38   and name HD2 ))
      3.200     1.300     1.300 peak   715 spectrum    1 weight  0.11000E+01 volume  0.12795E-02 ppm1      8.567 ppm2      2.028 CV     1
 OR {  715}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 38   and name HD1 ))
 ASSI {  720}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      5.000     3.200     1.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.13014E-03 ppm1      7.867 ppm2      5.332 CV     1
 ASSI {  723}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG1 ))
      4.700     2.800     1.300 peak   723 spectrum    1 weight  0.11000E+01 volume  0.27066E-03 ppm1      4.642 ppm2      1.603 CV     1
 ASSI {  724}
   (( segid "    " and resid 31   and name HA2 ))
   (( segid "    " and resid 7    and name HB1 ))
      3.500     3.500     2.500 peak   724 spectrum    1 weight  0.11000E+01 volume  0.34721E-03 ppm1      4.135 ppm2      1.838 CV     1
 OR {  724}
   (( segid "    " and resid 31   and name HA1 ))
   (( segid "    " and resid 7    and name HB1 ))
 ASSI {  727}
   (( segid "    " and resid 19   and name HE2 ))
   (( segid "    " and resid 24   and name HD1 ))
      2.800     2.800     3.200 peak   727 spectrum    1 weight  0.10000E+01 volume  0.45787E-02 ppm1      3.038 ppm2      2.821 CV     1
 OR {  727}
   (( segid "    " and resid 19   and name HE2 ))
   (( segid "    " and resid 24   and name HD2 ))
 OR {  727}
   (( segid "    " and resid 19   and name HE1 ))
   (( segid "    " and resid 24   and name HD1 ))
 OR {  727}
   (( segid "    " and resid 19   and name HE1 ))
   (( segid "    " and resid 24   and name HD2 ))
 ASSI {  731}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 6    and name HG2%)
      3.800     1.800     1.800 peak   731 spectrum    1 weight  0.11000E+01 volume  0.22304E-03 ppm1      2.560 ppm2      0.906 CV     1
 ASSI {  734}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 6    and name HB  ))
      4.100     2.100     1.900 peak   734 spectrum    1 weight  0.11000E+01 volume  0.21120E-03 ppm1      3.040 ppm2      1.417 CV     1
 ASSI {  737}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 14   and name HB1 ))
      1.500     0.300     0.700 peak   737 spectrum    1 weight  0.11000E+01 volume  0.44858E-01 ppm1      2.641 ppm2      3.090 CV     1
 ASSI {  738}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      1.700     0.400     0.500 peak   738 spectrum    1 weight  0.10000E+01 volume  0.25871E-01 ppm1      2.774 ppm2      3.088 CV     1
 ASSI {  739}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HB1 ))
      1.500     0.300     0.700 peak   739 spectrum    1 weight  0.11000E+01 volume  0.46531E-01 ppm1      2.719 ppm2      3.034 CV     1
 ASSI {  742}
   (( segid "    " and resid 25   and name HZ  ))
   (  segid "    " and resid 25   and name HD% )
      4.400     2.500     1.600 peak   742 spectrum    1 weight  0.11000E+01 volume  0.34663E-03 ppm1      7.859 ppm2      7.178 CV     1
 ASSI {  744}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      4.100     2.100     1.900 peak   744 spectrum    1 weight  0.11000E+01 volume  0.42970E-03 ppm1      9.247 ppm2      2.502 CV     1
 ASSI {  745}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      4.300     2.300     1.700 peak   745 spectrum    1 weight  0.11000E+01 volume  0.39083E-03 ppm1      9.465 ppm2      2.224 CV     1
 ASSI {  747}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 7    and name HE2 ))
      4.300     2.300     1.700 peak   747 spectrum    1 weight  0.10000E+01 volume  0.25965E-03 ppm1      8.645 ppm2      2.977 CV     1
 OR {  747}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 7    and name HE1 ))
 ASSI {  752}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG2 ))
      4.600     2.700     1.400 peak   752 spectrum    1 weight  0.11000E+01 volume  0.39363E-03 ppm1      8.023 ppm2      1.431 CV     1
 ASSI {  756}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 26   and name HA2 ))
      4.400     2.400     1.600 peak   756 spectrum    1 weight  0.10000E+01 volume  0.19373E-03 ppm1      3.050 ppm2      3.815 CV     1
 OR {  756}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 26   and name HA1 ))
 ASSI {  757}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HD1 ))
      4.200     2.200     1.800 peak   757 spectrum    1 weight  0.11000E+01 volume  0.22628E-03 ppm1      7.244 ppm2      3.216 CV     1
 OR {  757}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HD2 ))
 ASSI {  760}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HD1 ))
      5.000     3.200     1.000 peak   760 spectrum    1 weight  0.11000E+01 volume  0.15932E-03 ppm1      4.081 ppm2      3.237 CV     1
 OR {  760}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HD2 ))
 ASSI {  761}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     5.300     0.000 peak   761 spectrum    1 weight  0.11000E+01 volume  0.43619E-04 ppm1      3.657 ppm2      1.672 CV     1
 ASSI {  763}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ))
      6.000     5.000     0.000 peak   763 spectrum    1 weight  0.11000E+01 volume  0.66280E-04 ppm1      7.793 ppm2      3.656 CV     1
 ASSI {  765}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HE2 ))
      5.600     4.000     0.400 peak   765 spectrum    1 weight  0.11000E+01 volume  0.14511E-03 ppm1      8.404 ppm2      2.994 CV     1
 OR {  765}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HE1 ))
 ASSI {  767}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 10   and name HG11))
      2.300     0.700     0.700 peak   767 spectrum    1 weight  0.11000E+01 volume  0.61403E-02 ppm1      2.176 ppm2      1.319 CV     1
 OR {  767}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 10   and name HG12))
 ASSI {    6}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.300     0.600     0.600 peak     6 spectrum    2 weight  0.11000E+01 volume  0.91697E-02 ppm1      9.348 ppm2      5.321 CV     1
 ASSI {   28}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HD2 ))
      4.800     2.800     1.200 peak    28 spectrum    2 weight  0.11000E+01 volume  0.31269E-03 ppm1      8.794 ppm2      1.344 CV     1
 OR {   28}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HD1 ))
 ASSI {   46}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak    46 spectrum    2 weight  0.11000E+01 volume  0.20010E-02 ppm1      8.628 ppm2      4.628 CV     1
 ASSI {   51}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.900     1.000     1.000 peak    51 spectrum    2 weight  0.11000E+01 volume  0.18771E-02 ppm1      8.409 ppm2      4.414 CV     1
 ASSI {   56}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.400     0.700     0.700 peak    56 spectrum    2 weight  0.11000E+01 volume  0.24248E-02 ppm1      8.403 ppm2      1.353 CV     1
 ASSI {   59}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.000     1.100     1.100 peak    59 spectrum    2 weight  0.11000E+01 volume  0.18440E-02 ppm1      8.376 ppm2      4.231 CV     1
 ASSI {   61}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HD1%)
      4.300     2.300     1.700 peak    61 spectrum    2 weight  0.11000E+01 volume  0.38870E-03 ppm1      8.377 ppm2      0.740 CV     1
 ASSI {   64}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      4.900     2.900     1.100 peak    64 spectrum    2 weight  0.11000E+01 volume  0.68658E-03 ppm1      8.243 ppm2      0.628 CV     1
 ASSI {   76}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 24   and name HG1 ))
      3.700     1.700     1.700 peak    76 spectrum    2 weight  0.11000E+01 volume  0.73786E-03 ppm1      6.778 ppm2      1.157 CV     1
 ASSI {   78}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 36   and name HB  ))
      3.800     1.800     1.800 peak    78 spectrum    2 weight  0.11000E+01 volume  0.70477E-03 ppm1      6.778 ppm2      3.992 CV     1
 ASSI {   81}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HD2%)
      4.800     2.900     1.200 peak    81 spectrum    2 weight  0.11000E+01 volume  0.54613E-03 ppm1      7.185 ppm2      0.863 CV     1
 ASSI {   82}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HD1%)
      4.700     2.800     1.300 peak    82 spectrum    2 weight  0.11000E+01 volume  0.52925E-03 ppm1      7.188 ppm2      1.016 CV     1
 ASSI {   87}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.000     1.100     1.100 peak    87 spectrum    2 weight  0.11000E+01 volume  0.19686E-02 ppm1      7.404 ppm2      4.176 CV     1
 ASSI {   99}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.700     0.900     0.900 peak    99 spectrum    2 weight  0.11000E+01 volume  0.13311E-02 ppm1      7.792 ppm2      2.410 CV     1
 ASSI {  101}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.900     1.900     1.900 peak   101 spectrum    2 weight  0.11000E+01 volume  0.26292E-03 ppm1      7.916 ppm2      3.031 CV     1
 ASSI {  105}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.900     1.100     1.100 peak   105 spectrum    2 weight  0.11000E+01 volume  0.16311E-02 ppm1      8.056 ppm2      4.611 CV     1
 ASSI {  106}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      3.300     1.400     1.400 peak   106 spectrum    2 weight  0.11000E+01 volume  0.14026E-02 ppm1      8.057 ppm2      2.390 CV     1
 ASSI {  107}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.100     1.200     1.200 peak   107 spectrum    2 weight  0.11000E+01 volume  0.90875E-03 ppm1      8.059 ppm2      2.329 CV     1
 ASSI {  112}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.800     1.800     1.800 peak   112 spectrum    2 weight  0.11000E+01 volume  0.12838E-02 ppm1      8.089 ppm2      3.088 CV     1
 ASSI {  118}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.300     0.600     0.600 peak   118 spectrum    2 weight  0.11000E+01 volume  0.74069E-02 ppm1      8.012 ppm2      1.938 CV     1
 OR {  118}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
 ASSI {  121}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.100     1.100 peak   121 spectrum    2 weight  0.11000E+01 volume  0.18050E-02 ppm1      7.698 ppm2      5.401 CV     1
 ASSI {  122}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      4.400     2.400     1.600 peak   122 spectrum    2 weight  0.11000E+01 volume  0.46307E-03 ppm1      7.693 ppm2      1.964 CV     1
 ASSI {  126}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      5.000     3.100     1.000 peak   126 spectrum    2 weight  0.11000E+01 volume  0.33689E-03 ppm1      8.144 ppm2      3.245 CV     1
 ASSI {  133}
   (( segid "    " and resid 13   and name HE22))
   (( segid "    " and resid 13   and name HG2 ))
      4.400     2.400     1.600 peak   133 spectrum    2 weight  0.11000E+01 volume  0.56720E-03 ppm1      7.043 ppm2      2.221 CV     1
 OR {  133}
   (( segid "    " and resid 13   and name HE22))
   (( segid "    " and resid 13   and name HG1 ))
 ASSI {  138}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.300     1.300     1.300 peak   138 spectrum    2 weight  0.11000E+01 volume  0.12154E-02 ppm1      8.083 ppm2      4.173 CV     1
 ASSI {  148}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.400     2.400     1.600 peak   148 spectrum    2 weight  0.11000E+01 volume  0.20643E-03 ppm1      9.006 ppm2      4.102 CV     1
 ASSI {  150}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HD2%)
      4.700     2.700     1.300 peak   150 spectrum    2 weight  0.11000E+01 volume  0.37341E-03 ppm1      9.009 ppm2      0.860 CV     1
 ASSI {  158}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 16   and name HB1 ))
      3.800     1.800     1.800 peak   158 spectrum    2 weight  0.11000E+01 volume  0.13776E-02 ppm1      3.511 ppm2      1.931 CV     1
 ASSI {  159}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 16   and name HB2 ))
      5.500     3.800     0.500 peak   159 spectrum    2 weight  0.11000E+01 volume  0.58236E-03 ppm1      3.513 ppm2      1.843 CV     1
 ASSI {  161}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HB2 ))
      3.700     1.700     1.700 peak   161 spectrum    2 weight  0.11000E+01 volume  0.10335E-02 ppm1      3.512 ppm2      1.652 CV     1
 ASSI {  164}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HD2 ))
      2.900     1.000     1.000 peak   164 spectrum    2 weight  0.11000E+01 volume  0.11417E-02 ppm1      7.791 ppm2      3.504 CV     1
 ASSI {  165}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      4.000     2.000     2.000 peak   165 spectrum    2 weight  0.11000E+01 volume  0.97355E-03 ppm1      7.792 ppm2      2.335 CV     1
 ASSI {  166}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   166 spectrum    2 weight  0.11000E+01 volume  0.55331E-02 ppm1      7.794 ppm2      8.024 CV     1
 ASSI {  168}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.600     1.600     1.600 peak   168 spectrum    2 weight  0.11000E+01 volume  0.10465E-02 ppm1      8.009 ppm2      4.427 CV     1
 ASSI {  169}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.000     1.100     1.100 peak   169 spectrum    2 weight  0.11000E+01 volume  0.10153E-02 ppm1      8.015 ppm2      2.404 CV     1
 ASSI {  176}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.300     2.300     1.700 peak   176 spectrum    2 weight  0.11000E+01 volume  0.38101E-03 ppm1      7.361 ppm2      4.271 CV     1
 ASSI {  181}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak   181 spectrum    2 weight  0.11000E+01 volume  0.19391E-02 ppm1      7.403 ppm2      8.623 CV     1
 ASSI {  184}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.600     1.600     1.600 peak   184 spectrum    2 weight  0.11000E+01 volume  0.93977E-03 ppm1      8.084 ppm2      4.080 CV     1
 ASSI {  185}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.000     1.100     1.100 peak   185 spectrum    2 weight  0.11000E+01 volume  0.14467E-02 ppm1      8.615 ppm2      9.241 CV     1
 ASSI {  188}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.800     1.800     1.800 peak   188 spectrum    2 weight  0.11000E+01 volume  0.42233E-03 ppm1      8.086 ppm2      4.003 CV     1
 ASSI {  189}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      4.300     2.300     1.700 peak   189 spectrum    2 weight  0.11000E+01 volume  0.23299E-03 ppm1      7.405 ppm2      4.002 CV     1
 ASSI {  191}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HG2%)
      3.200     1.300     1.300 peak   191 spectrum    2 weight  0.11000E+01 volume  0.31252E-02 ppm1      7.973 ppm2      1.180 CV     1
 ASSI {  193}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.200     2.200     1.800 peak   193 spectrum    2 weight  0.11000E+01 volume  0.15658E-02 ppm1      9.227 ppm2      0.951 CV     1
 ASSI {  196}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.600     1.600     1.600 peak   196 spectrum    2 weight  0.11000E+01 volume  0.83519E-03 ppm1      7.972 ppm2      4.484 CV     1
 ASSI {  206}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      5.200     3.300     0.800 peak   206 spectrum    2 weight  0.11000E+01 volume  0.39896E-03 ppm1      7.913 ppm2      1.710 CV     1
 ASSI {  215}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      4.400     2.400     1.600 peak   215 spectrum    2 weight  0.11000E+01 volume  0.62657E-03 ppm1      9.546 ppm2      2.555 CV     1
 ASSI {  220}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HG1 ))
      5.100     3.300     0.900 peak   220 spectrum    2 weight  0.11000E+01 volume  0.87283E-04 ppm1      7.698 ppm2      1.421 CV     1
 OR {  220}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI {  221}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA1 ))
      3.100     1.200     1.200 peak   221 spectrum    2 weight  0.11000E+01 volume  0.21886E-02 ppm1      7.694 ppm2      4.117 CV     1
 OR {  221}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA2 ))
 ASSI {  223}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak   223 spectrum    2 weight  0.11000E+01 volume  0.27153E-02 ppm1      7.696 ppm2      8.361 CV     1
 ASSI {  231}
   (( segid "    " and resid 34   and name HE2 ))
   (( segid "    " and resid 34   and name HB2 ))
      5.100     3.200     0.900 peak   231 spectrum    2 weight  0.11000E+01 volume  0.16255E-03 ppm1      7.565 ppm2      3.062 CV     1
 ASSI {  232}
   (( segid "    " and resid 34   and name HE2 ))
   (( segid "    " and resid 34   and name HB1 ))
      3.700     1.700     1.700 peak   232 spectrum    2 weight  0.11000E+01 volume  0.25788E-03 ppm1      7.565 ppm2      3.220 CV     1
 ASSI {  238}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      3.100     1.200     1.200 peak   238 spectrum    2 weight  0.11000E+01 volume  0.15259E-02 ppm1      7.700 ppm2      8.637 CV     1
 ASSI {  240}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      4.300     2.300     1.700 peak   240 spectrum    2 weight  0.11000E+01 volume  0.35780E-03 ppm1      8.634 ppm2      5.048 CV     1
 ASSI {  244}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.100     0.500     0.500 peak   244 spectrum    2 weight  0.11000E+01 volume  0.10341E-01 ppm1      8.843 ppm2      4.600 CV     1
 ASSI {  246}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HD2 ))
      4.300     2.300     1.700 peak   246 spectrum    2 weight  0.11000E+01 volume  0.26021E-03 ppm1      8.838 ppm2      1.346 CV     1
 ASSI {  248}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.800     1.800     1.800 peak   248 spectrum    2 weight  0.11000E+01 volume  0.32711E-03 ppm1      3.799 ppm2      5.330 CV     1
 OR {  248}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  250}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.700     0.900     0.900 peak   250 spectrum    2 weight  0.11000E+01 volume  0.29759E-02 ppm1      7.871 ppm2      4.453 CV     1
 ASSI {  254}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 25   and name HB2 ))
      2.500     0.800     0.800 peak   254 spectrum    2 weight  0.11000E+01 volume  0.35476E-02 ppm1      7.176 ppm2      3.158 CV     1
 ASSI {  255}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 25   and name HA  ))
      2.600     0.800     0.800 peak   255 spectrum    2 weight  0.11000E+01 volume  0.33573E-02 ppm1      7.179 ppm2      4.455 CV     1
 ASSI {  260}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.900     1.000     1.000 peak   260 spectrum    2 weight  0.11000E+01 volume  0.21605E-02 ppm1      8.135 ppm2      8.709 CV     1
 ASSI {  263}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak   263 spectrum    2 weight  0.11000E+01 volume  0.26932E-02 ppm1      8.136 ppm2      8.408 CV     1
 ASSI {  266}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
      3.600     1.600     1.600 peak   266 spectrum    2 weight  0.11000E+01 volume  0.43562E-03 ppm1      8.138 ppm2      1.055 CV     1
 ASSI {  267}
   (( segid "    " and resid 5    and name HD21))
   (( segid "    " and resid 5    and name HB2 ))
      4.500     2.500     1.500 peak   267 spectrum    2 weight  0.11000E+01 volume  0.18376E-03 ppm1      7.587 ppm2      2.597 CV     1
 ASSI {  269}
   (( segid "    " and resid 5    and name HD22))
   (( segid "    " and resid 5    and name HB1 ))
      4.900     3.000     1.100 peak   269 spectrum    2 weight  0.11000E+01 volume  0.43341E-03 ppm1      6.835 ppm2      2.907 CV     1
 ASSI {  285}
   (( segid "    " and resid 37   and name HD1 ))
   (( segid "    " and resid 36   and name HA  ))
      2.500     0.800     0.800 peak   285 spectrum    2 weight  0.11000E+01 volume  0.26806E-02 ppm1      3.919 ppm2      4.952 CV     1
 ASSI {  286}
   (( segid "    " and resid 37   and name HD1 ))
   (( segid "    " and resid 37   and name HG1 ))
      2.700     0.900     0.900 peak   286 spectrum    2 weight  0.11000E+01 volume  0.31805E-02 ppm1      3.922 ppm2      2.036 CV     1
 OR {  286}
   (( segid "    " and resid 37   and name HD2 ))
   (( segid "    " and resid 37   and name HG2 ))
 OR {  286}
   (( segid "    " and resid 37   and name HD1 ))
   (( segid "    " and resid 37   and name HG2 ))
 OR {  286}
   (( segid "    " and resid 37   and name HD2 ))
   (( segid "    " and resid 37   and name HG1 ))
 ASSI {  288}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.200     1.300     1.300 peak   288 spectrum    2 weight  0.11000E+01 volume  0.50924E-03 ppm1      8.396 ppm2      3.979 CV     1
 ASSI {  298}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      3.700     1.700     1.700 peak   298 spectrum    2 weight  0.11000E+01 volume  0.79464E-03 ppm1      9.355 ppm2      0.859 CV     1
 ASSI {  300}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB  ))
      2.400     0.700     0.700 peak   300 spectrum    2 weight  0.11000E+01 volume  0.47455E-02 ppm1      9.228 ppm2      2.181 CV     1
 ASSI {  303}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      5.100     3.300     0.900 peak   303 spectrum    2 weight  0.11000E+01 volume  0.27809E-03 ppm1      8.562 ppm2      2.394 CV     1
 ASSI {  316}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak   316 spectrum    2 weight  0.11000E+01 volume  0.48755E-02 ppm1      8.567 ppm2      4.466 CV     1
 ASSI {  320}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.300     0.600     0.600 peak   320 spectrum    2 weight  0.11000E+01 volume  0.38695E-02 ppm1      8.400 ppm2      4.612 CV     1
 ASSI {  325}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 19   and name HG2 ))
      3.900     1.900     1.900 peak   325 spectrum    2 weight  0.10000E+01 volume  0.83940E-03 ppm1      8.057 ppm2      1.483 CV     1
 OR {  325}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 19   and name HG1 ))
 ASSI {  330}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.600     1.600     1.600 peak   330 spectrum    2 weight  0.11000E+01 volume  0.47246E-03 ppm1      7.976 ppm2      2.722 CV     1
 ASSI {  331}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.700     1.700     1.700 peak   331 spectrum    2 weight  0.11000E+01 volume  0.22688E-02 ppm1      7.976 ppm2      3.039 CV     1
 ASSI {  336}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      4.100     2.100     1.900 peak   336 spectrum    2 weight  0.11000E+01 volume  0.11230E-02 ppm1      7.870 ppm2      8.152 CV     1
 ASSI {  340}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.800     1.800     1.800 peak   340 spectrum    2 weight  0.11000E+01 volume  0.48038E-03 ppm1      7.791 ppm2      4.266 CV     1
 ASSI {  341}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.800     2.900     1.200 peak   341 spectrum    2 weight  0.11000E+01 volume  0.20152E-03 ppm1      7.791 ppm2      4.104 CV     1
 ASSI {  342}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      3.400     1.500     1.500 peak   342 spectrum    2 weight  0.11000E+01 volume  0.23517E-02 ppm1      7.790 ppm2      1.656 CV     1
 ASSI {  347}
   (( segid "    " and resid 34   and name HE2 ))
   (( segid "    " and resid 32   and name HB1 ))
      5.400     3.600     0.600 peak   347 spectrum    2 weight  0.11000E+01 volume  0.11848E-03 ppm1      7.567 ppm2      1.968 CV     1
 ASSI {  348}
   (( segid "    " and resid 34   and name HE2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.500     1.500     1.500 peak   348 spectrum    2 weight  0.11000E+01 volume  0.35807E-03 ppm1      7.565 ppm2      5.326 CV     1
 ASSI {  350}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.500     2.500     1.500 peak   350 spectrum    2 weight  0.11000E+01 volume  0.38838E-03 ppm1      7.400 ppm2      0.939 CV     1
 ASSI {  356}
   (( segid "    " and resid 13   and name HE22))
   (( segid "    " and resid 8    and name HA  ))
      4.500     2.500     1.500 peak   356 spectrum    2 weight  0.11000E+01 volume  0.37975E-03 ppm1      7.042 ppm2      4.674 CV     1
 ASSI {  359}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 36   and name HB  ))
      5.700     4.000     0.300 peak   359 spectrum    2 weight  0.11000E+01 volume  0.20584E-03 ppm1      7.332 ppm2      3.988 CV     1
 ASSI {  366}
   (  segid "    " and resid 25   and name HD% )
   (  segid "    " and resid 36   and name HG2%)
      3.200     1.300     1.300 peak   366 spectrum    2 weight  0.11000E+01 volume  0.16959E-02 ppm1      7.176 ppm2      1.396 CV     1
 ASSI {  384}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 3    and name HG12))
      2.900     1.100     1.100 peak   384 spectrum    2 weight  0.11000E+01 volume  0.19100E-02 ppm1      0.731 ppm2     -0.099 CV     1
 ASSI {  387}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 3    and name HA  ))
      3.200     1.300     1.300 peak   387 spectrum    2 weight  0.11000E+01 volume  0.11650E-02 ppm1      1.538 ppm2      4.233 CV     1
 ASSI {  390}
   (( segid "    " and resid 3    and name HG11))
   (  segid "    " and resid 3    and name HD1%)
      2.400     0.700     0.700 peak   390 spectrum    2 weight  0.11000E+01 volume  0.59254E-02 ppm1      1.259 ppm2      0.737 CV     1
 ASSI {  394}
   (( segid "    " and resid 4    and name HG12))
   (  segid "    " and resid 4    and name HD1%)
      2.300     0.600     0.600 peak   394 spectrum    2 weight  0.11000E+01 volume  0.70664E-02 ppm1      1.059 ppm2      0.619 CV     1
 ASSI {  395}
   (( segid "    " and resid 4    and name HG11))
   (  segid "    " and resid 4    and name HD1%)
      2.400     0.700     0.700 peak   395 spectrum    2 weight  0.11000E+01 volume  0.59211E-02 ppm1      1.211 ppm2      0.621 CV     1
 ASSI {  399}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 10   and name HG2%)
      2.800     1.000     1.000 peak   399 spectrum    2 weight  0.11000E+01 volume  0.31813E-02 ppm1      0.938 ppm2      1.176 CV     1
 ASSI {  405}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HG2 ))
      2.400     0.700     0.700 peak   405 spectrum    2 weight  0.11000E+01 volume  0.10452E-01 ppm1      1.288 ppm2      1.040 CV     1
 ASSI {  419}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 4    and name HD1%)
      3.000     3.000     3.000 peak   419 spectrum    2 weight  0.11000E+01 volume  0.18167E-02 ppm1      1.665 ppm2      0.618 CV     1
 OR {  419}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI {  422}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 29   and name HG1 ))
      1.900     1.900     4.100 peak   422 spectrum    2 weight  0.11000E+01 volume  0.10204E-01 ppm1      1.148 ppm2      1.586 CV     1
 ASSI {  432}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 32   and name HB1 ))
      4.000     4.000     2.000 peak   432 spectrum    2 weight  0.11000E+01 volume  0.10142E-02 ppm1      0.769 ppm2      1.967 CV     1
 ASSI {  437}
   (( segid "    " and resid 15   and name HG  ))
   (  segid "    " and resid 15   and name HD2%)
      2.600     0.900     0.900 peak   437 spectrum    2 weight  0.11000E+01 volume  0.38847E-02 ppm1      1.660 ppm2      0.859 CV     1
 ASSI {  438}
   (( segid "    " and resid 23   and name HG1 ))
   (  segid "    " and resid 15   and name HD2%)
      3.700     3.700     2.300 peak   438 spectrum    2 weight  0.11000E+01 volume  0.18237E-02 ppm1      1.772 ppm2      0.858 CV     1
 ASSI {  439}
   (( segid "    " and resid 15   and name HG  ))
   (  segid "    " and resid 15   and name HD1%)
      3.100     1.200     1.200 peak   439 spectrum    2 weight  0.11000E+01 volume  0.12023E-02 ppm1      1.657 ppm2      1.014 CV     1
 ASSI {  441}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 3    and name HG11))
      2.600     0.800     0.800 peak   441 spectrum    2 weight  0.10000E+01 volume  0.56558E-02 ppm1      1.526 ppm2      1.245 CV     1
 ASSI {  442}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 10   and name HD1%)
      2.700     2.700     3.300 peak   442 spectrum    2 weight  0.11000E+01 volume  0.23599E-02 ppm1      1.741 ppm2      0.932 CV     1
 ASSI {  446}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HB1 ))
      4.200     2.200     1.800 peak   446 spectrum    2 weight  0.11000E+01 volume  0.58859E-03 ppm1      1.014 ppm2      1.822 CV     1
 ASSI {  450}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HB1 ))
      2.000     0.500     0.500 peak   450 spectrum    2 weight  0.11000E+01 volume  0.18252E-01 ppm1      1.647 ppm2      1.360 CV     1
 OR {  450}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  451}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 29   and name HG1 ))
      3.500     1.500     1.500 peak   451 spectrum    2 weight  0.10000E+01 volume  0.12771E-02 ppm1      1.233 ppm2      1.632 CV     1
 OR {  451}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 29   and name HG1 ))
 OR {  451}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 29   and name HG2 ))
 OR {  451}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 29   and name HG2 ))
 ASSI {  454}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 10   and name HG11))
      2.500     2.500     3.500 peak   454 spectrum    2 weight  0.10000E+01 volume  0.76819E-02 ppm1      1.768 ppm2      1.319 CV     1
 OR {  454}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 10   and name HG12))
 ASSI {  455}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 38   and name HG2 ))
      2.800     1.000     1.000 peak   455 spectrum    2 weight  0.11000E+01 volume  0.10803E-01 ppm1      1.330 ppm2      1.749 CV     1
 OR {  455}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 38   and name HG1 ))
 ASSI {  456}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HG1 ))
      2.500     0.800     0.800 peak   456 spectrum    2 weight  0.11000E+01 volume  0.63826E-02 ppm1      1.689 ppm2      1.240 CV     1
 OR {  456}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HG2 ))
 OR {  456}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HG1 ))
 OR {  456}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI {  457}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 4    and name HG11))
      2.100     0.500     0.500 peak   457 spectrum    2 weight  0.11000E+01 volume  0.91829E-02 ppm1      1.442 ppm2      1.188 CV     1
 ASSI {  462}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG1 ))
      1.900     0.500     0.500 peak   462 spectrum    2 weight  0.11000E+01 volume  0.16653E-01 ppm1      1.949 ppm2      1.455 CV     1
 ASSI {  464}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HD2 ))
      2.200     0.600     0.600 peak   464 spectrum    2 weight  0.11000E+01 volume  0.10761E-01 ppm1      1.835 ppm2      1.546 CV     1
 OR {  464}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HD1 ))
 ASSI {  466}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.900     1.000     1.000 peak   466 spectrum    2 weight  0.11000E+01 volume  0.20938E-02 ppm1      1.649 ppm2      1.821 CV     1
 ASSI {  467}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB1 ))
      3.400     1.400     1.400 peak   467 spectrum    2 weight  0.10000E+01 volume  0.75126E-03 ppm1      1.346 ppm2      1.916 CV     1
 ASSI {  470}
   (( segid "    " and resid 4    and name HG11))
   (  segid "    " and resid 4    and name HG2%)
      3.300     1.300     1.300 peak   470 spectrum    2 weight  0.11000E+01 volume  0.40774E-02 ppm1      1.205 ppm2      0.747 CV     1
 ASSI {  471}
   (( segid "    " and resid 6    and name HB  ))
   (  segid "    " and resid 4    and name HG2%)
      4.600     4.600     1.400 peak   471 spectrum    2 weight  0.11000E+01 volume  0.11063E-02 ppm1      1.439 ppm2      0.744 CV     1
 ASSI {  485}
   (  segid "    " and resid 2    and name HG1%)
   (( segid "    " and resid 2    and name HA  ))
      2.900     1.100     1.100 peak   485 spectrum    2 weight  0.11000E+01 volume  0.23921E-02 ppm1      0.865 ppm2      4.286 CV     1
 OR {  485}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 2    and name HA  ))
 ASSI {  487}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak   487 spectrum    2 weight  0.11000E+01 volume  0.33567E-02 ppm1      0.912 ppm2      4.118 CV     1
 ASSI {  492}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.600     3.600     2.400 peak   492 spectrum    2 weight  0.10000E+01 volume  0.43897E-02 ppm1      0.965 ppm2      4.887 CV     1
 ASSI {  493}
   (( segid "    " and resid 10   and name HG12))
   (( segid "    " and resid 10   and name HA  ))
      3.900     1.900     1.900 peak   493 spectrum    2 weight  0.11000E+01 volume  0.71500E-03 ppm1      1.312 ppm2      4.887 CV     1
 OR {  493}
   (( segid "    " and resid 10   and name HG11))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  497}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
      3.200     1.200     1.200 peak   497 spectrum    2 weight  0.11000E+01 volume  0.18318E-02 ppm1      2.555 ppm2      5.048 CV     1
 ASSI {  498}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      2.600     0.800     0.800 peak   498 spectrum    2 weight  0.11000E+01 volume  0.30481E-02 ppm1      2.654 ppm2      5.043 CV     1
 ASSI {  499}
   (( segid "    " and resid 32   and name HG1 ))
   (( segid "    " and resid 32   and name HA  ))
      3.900     1.900     1.900 peak   499 spectrum    2 weight  0.11000E+01 volume  0.49941E-03 ppm1      1.439 ppm2      5.403 CV     1
 OR {  499}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  501}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      3.700     1.700     1.700 peak   501 spectrum    2 weight  0.11000E+01 volume  0.84486E-03 ppm1      1.805 ppm2      5.399 CV     1
 ASSI {  502}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.100     1.100 peak   502 spectrum    2 weight  0.11000E+01 volume  0.13932E-02 ppm1      1.979 ppm2      5.399 CV     1
 ASSI {  505}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HA  ))
      3.200     1.300     1.300 peak   505 spectrum    2 weight  0.11000E+01 volume  0.88575E-03 ppm1      3.214 ppm2      5.320 CV     1
 ASSI {  508}
   (( segid "    " and resid 1    and name HA1 ))
   (( segid "    " and resid 36   and name HA  ))
      3.200     1.300     1.300 peak   508 spectrum    2 weight  0.11000E+01 volume  0.19148E-02 ppm1      3.974 ppm2      4.951 CV     1
 OR {  508}
   (( segid "    " and resid 1    and name HA2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  511}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 10   and name HB  ))
      3.000     3.000     3.000 peak   511 spectrum    2 weight  0.11000E+01 volume  0.14439E-02 ppm1      1.196 ppm2      2.211 CV     1
 ASSI {  522}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HB2 ))
      1.900     0.400     0.400 peak   522 spectrum    2 weight  0.11000E+01 volume  0.10967E-01 ppm1      2.224 ppm2      2.047 CV     1
 ASSI {  527}
   (( segid "    " and resid 38   and name HD2 ))
   (( segid "    " and resid 38   and name HB2 ))
      1.800     0.400     0.400 peak   527 spectrum    2 weight  0.11000E+01 volume  0.35504E-01 ppm1      2.052 ppm2      2.333 CV     1
 OR {  527}
   (( segid "    " and resid 38   and name HD1 ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  534}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 4    and name HG12))
      2.600     0.800     0.800 peak   534 spectrum    2 weight  0.11000E+01 volume  0.15860E-02 ppm1      2.557 ppm2      1.037 CV     1
 ASSI {  535}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 4    and name HD1%)
      3.200     1.300     1.300 peak   535 spectrum    2 weight  0.11000E+01 volume  0.15556E-02 ppm1      2.557 ppm2      0.618 CV     1
 ASSI {  538}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 15   and name HB2 ))
      3.400     1.400     1.400 peak   538 spectrum    2 weight  0.10000E+01 volume  0.39557E-02 ppm1      2.421 ppm2      1.747 CV     1
 ASSI {  539}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 6    and name HB  ))
      2.900     1.000     1.000 peak   539 spectrum    2 weight  0.11000E+01 volume  0.28906E-02 ppm1      2.555 ppm2      1.423 CV     1
 ASSI {  565}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
      1.800     0.400     0.400 peak   565 spectrum    2 weight  0.11000E+01 volume  0.18003E-01 ppm1      2.595 ppm2      2.906 CV     1
 ASSI {  571}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 32   and name HB1 ))
      3.900     1.900     1.900 peak   571 spectrum    2 weight  0.11000E+01 volume  0.19536E-02 ppm1      2.664 ppm2      1.963 CV     1
 ASSI {  574}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 12   and name HB1 ))
      4.300     2.300     1.700 peak   574 spectrum    2 weight  0.10000E+01 volume  0.11578E-02 ppm1      2.179 ppm2      1.959 CV     1
 ASSI {  577}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 13   and name HG2 ))
      3.200     1.300     1.300 peak   577 spectrum    2 weight  0.10000E+01 volume  0.18832E-02 ppm1      2.706 ppm2      2.221 CV     1
 OR {  577}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 13   and name HG1 ))
 ASSI {  579}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 23   and name HG1 ))
      3.300     1.300     1.300 peak   579 spectrum    2 weight  0.10000E+01 volume  0.22356E-02 ppm1      3.084 ppm2      1.760 CV     1
 ASSI {  581}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 29   and name HB2 ))
      2.700     0.900     0.900 peak   581 spectrum    2 weight  0.11000E+01 volume  0.32330E-02 ppm1      3.086 ppm2      2.055 CV     1
 ASSI {  582}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
      4.800     2.800     1.200 peak   582 spectrum    2 weight  0.11000E+01 volume  0.27353E-03 ppm1      3.085 ppm2      1.967 CV     1
 ASSI {  589}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 24   and name HD1 ))
      3.700     1.700     1.700 peak   589 spectrum    2 weight  0.11000E+01 volume  0.24134E-02 ppm1      3.257 ppm2      2.833 CV     1
 OR {  589}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 24   and name HD2 ))
 ASSI {  590}
   (( segid "    " and resid 12   and name HD2 ))
   (  segid "    " and resid 10   and name HD1%)
      4.400     2.400     1.600 peak   590 spectrum    2 weight  0.11000E+01 volume  0.31975E-03 ppm1      3.230 ppm2      0.933 CV     1
 OR {  590}
   (( segid "    " and resid 12   and name HD1 ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  594}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HD1 ))
      3.000     1.100     1.100 peak   594 spectrum    2 weight  0.11000E+01 volume  0.62242E-03 ppm1      1.933 ppm2      3.506 CV     1
 OR {  594}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HD2 ))
 ASSI {  595}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HD1 ))
      3.400     3.400     2.600 peak   595 spectrum    2 weight  0.11000E+01 volume  0.65406E-03 ppm1      2.105 ppm2      3.509 CV     1
 OR {  595}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HD2 ))
 OR {  595}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HD1 ))
 OR {  595}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HD2 ))
 ASSI {  610}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 37   and name HD2 ))
      5.200     5.200     0.800 peak   610 spectrum    2 weight  0.11000E+01 volume  0.24419E-03 ppm1      1.296 ppm2      3.865 CV     1
 ASSI {  623}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 37   and name HD2 ))
      2.800     1.000     1.000 peak   623 spectrum    2 weight  0.11000E+01 volume  0.29387E-02 ppm1      1.412 ppm2      3.920 CV     1
 OR {  623}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 37   and name HD1 ))
 ASSI {  625}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HA  ))
      3.100     1.200     1.200 peak   625 spectrum    2 weight  0.11000E+01 volume  0.12796E-02 ppm1      1.798 ppm2      3.990 CV     1
 ASSI {  627}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      2.300     0.600     0.600 peak   627 spectrum    2 weight  0.11000E+01 volume  0.60785E-02 ppm1      2.397 ppm2      4.005 CV     1
 ASSI {  628}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.200     1.300     1.300 peak   628 spectrum    2 weight  0.11000E+01 volume  0.22906E-02 ppm1      2.734 ppm2      4.005 CV     1
 ASSI {  631}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      4.300     2.300     1.700 peak   631 spectrum    2 weight  0.11000E+01 volume  0.16217E-03 ppm1      2.614 ppm2      4.005 CV     1
 ASSI {  633}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      5.100     3.300     0.900 peak   633 spectrum    2 weight  0.10000E+01 volume  0.14685E-03 ppm1      2.504 ppm2      4.013 CV     1
 ASSI {  637}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 36   and name HB  ))
      5.800     4.100     0.200 peak   637 spectrum    2 weight  0.11000E+01 volume  0.25373E-03 ppm1      3.258 ppm2      3.990 CV     1
 ASSI {  641}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.100     1.100 peak   641 spectrum    2 weight  0.10000E+01 volume  0.20446E-02 ppm1      1.937 ppm2      4.083 CV     1
 ASSI {  642}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG  ))
      3.100     1.200     1.200 peak   642 spectrum    2 weight  0.11000E+01 volume  0.11158E-02 ppm1      4.087 ppm2      1.646 CV     1
 ASSI {  643}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
      3.800     1.800     1.800 peak   643 spectrum    2 weight  0.11000E+01 volume  0.10102E-02 ppm1      2.402 ppm2      4.082 CV     1
 ASSI {  648}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
      3.100     1.200     1.200 peak   648 spectrum    2 weight  0.11000E+01 volume  0.16509E-02 ppm1      1.839 ppm2      4.099 CV     1
 ASSI {  662}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      3.200     1.200     1.200 peak   662 spectrum    2 weight  0.11000E+01 volume  0.18170E-02 ppm1      1.838 ppm2      4.815 CV     1
 ASSI {  665}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 27   and name HA  ))
      3.600     1.600     1.600 peak   665 spectrum    2 weight  0.10000E+01 volume  0.62229E-03 ppm1      4.094 ppm2      4.602 CV     1
 OR {  665}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  668}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   668 spectrum    2 weight  0.11000E+01 volume  0.53989E-02 ppm1      3.049 ppm2      4.671 CV     1
 ASSI {  671}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      2.600     0.800     0.800 peak   671 spectrum    2 weight  0.11000E+01 volume  0.38686E-02 ppm1      3.094 ppm2      4.774 CV     1
 ASSI {  677}
   (( segid "    " and resid 24   and name HD2 ))
   (( segid "    " and resid 38   and name HA  ))
      4.600     2.600     1.400 peak   677 spectrum    2 weight  0.11000E+01 volume  0.54436E-03 ppm1      2.823 ppm2      4.631 CV     1
 OR {  677}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  679}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 38   and name HA  ))
      3.300     1.300     1.300 peak   679 spectrum    2 weight  0.11000E+01 volume  0.38019E-03 ppm1      1.346 ppm2      4.606 CV     1
 ASSI {  680}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 38   and name HA  ))
      5.800     4.200     0.200 peak   680 spectrum    2 weight  0.11000E+01 volume  0.19402E-03 ppm1      1.051 ppm2      4.606 CV     1
 ASSI {  681}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 27   and name HA  ))
      4.700     2.800     1.300 peak   681 spectrum    2 weight  0.10000E+01 volume  0.14179E-03 ppm1      1.251 ppm2      4.608 CV     1
 OR {  681}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  684}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      3.100     1.200     1.200 peak   684 spectrum    2 weight  0.11000E+01 volume  0.14192E-02 ppm1      1.685 ppm2      4.602 CV     1
 OR {  684}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  686}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 38   and name HA  ))
      4.300     2.300     1.700 peak   686 spectrum    2 weight  0.11000E+01 volume  0.12845E-02 ppm1      1.774 ppm2      4.612 CV     1
 ASSI {  687}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 4    and name HA  ))
      2.700     0.900     0.900 peak   687 spectrum    2 weight  0.11000E+01 volume  0.30902E-02 ppm1      1.848 ppm2      4.605 CV     1
 ASSI {  689}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
      2.500     0.800     0.800 peak   689 spectrum    2 weight  0.11000E+01 volume  0.28556E-02 ppm1      2.343 ppm2      4.607 CV     1
 ASSI {  696}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      2.900     1.000     1.000 peak   696 spectrum    2 weight  0.11000E+01 volume  0.23338E-02 ppm1      1.892 ppm2      4.483 CV     1
 ASSI {  699}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
      2.600     0.800     0.800 peak   699 spectrum    2 weight  0.11000E+01 volume  0.25957E-02 ppm1      1.285 ppm2      4.408 CV     1
 ASSI {  700}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   700 spectrum    2 weight  0.11000E+01 volume  0.22507E-02 ppm1      1.360 ppm2      4.408 CV     1
 ASSI {  701}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      3.300     1.400     1.400 peak   701 spectrum    2 weight  0.11000E+01 volume  0.13421E-02 ppm1      1.498 ppm2      4.418 CV     1
 ASSI {  702}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      5.400     3.700     0.600 peak   702 spectrum    2 weight  0.11000E+01 volume  0.18194E-03 ppm1      1.358 ppm2      4.217 CV     1
 ASSI {  703}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      4.600     2.600     1.400 peak   703 spectrum    2 weight  0.11000E+01 volume  0.25554E-03 ppm1      4.216 ppm2      1.454 CV     1
 ASSI {  705}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      2.600     0.800     0.800 peak   705 spectrum    2 weight  0.11000E+01 volume  0.29803E-02 ppm1      1.840 ppm2      4.217 CV     1
 ASSI {  707}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak   707 spectrum    2 weight  0.11000E+01 volume  0.54685E-02 ppm1      1.934 ppm2      4.214 CV     1
 ASSI {  716}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      2.300     0.700     0.700 peak   716 spectrum    2 weight  0.11000E+01 volume  0.71293E-02 ppm1      1.943 ppm2      4.280 CV     1
 OR {  716}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI {  721}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      2.400     0.700     0.700 peak   721 spectrum    2 weight  0.11000E+01 volume  0.48409E-02 ppm1      2.339 ppm2      4.461 CV     1
 OR {  721}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI {  734}
   (  segid "    " and resid 15   and name HD1%)
   (  segid "    " and resid 15   and name HD2%)
      2.500     2.500     3.500 peak   734 spectrum    2 weight  0.10000E+01 volume  0.69711E-02 ppm1      1.015 ppm2      0.857 CV     1
 ASSI {  735}
   (( segid "    " and resid 19   and name HG2 ))
   (  segid "    " and resid 15   and name HD1%)
      3.600     3.600     2.400 peak   735 spectrum    2 weight  0.10000E+01 volume  0.12680E-02 ppm1      1.486 ppm2      1.014 CV     1
 OR {  735}
   (( segid "    " and resid 19   and name HG1 ))
   (  segid "    " and resid 15   and name HD1%)
 ASSI {  755}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 16   and name HA  ))
      3.700     3.700     2.300 peak   755 spectrum    2 weight  0.11000E+01 volume  0.17316E-02 ppm1      3.660 ppm2      4.223 CV     1
 ASSI {  758}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
      3.100     1.200     1.200 peak   758 spectrum    2 weight  0.11000E+01 volume  0.16563E-02 ppm1      2.912 ppm2      4.267 CV     1
 OR {  758}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  762}
   (( segid "    " and resid 32   and name HD1 ))
   (( segid "    " and resid 32   and name HB1 ))
      4.800     2.900     1.200 peak   762 spectrum    2 weight  0.10000E+01 volume  0.14192E-03 ppm1      1.578 ppm2      1.998 CV     1
 OR {  762}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  763}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 16   and name HG1 ))
      3.300     3.300     2.700 peak   763 spectrum    2 weight  0.11000E+01 volume  0.11591E-02 ppm1      2.346 ppm2      1.483 CV     1
 ASSI {  768}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 9    and name HD1 ))
      1.800     0.400     0.400 peak   768 spectrum    2 weight  0.11000E+01 volume  0.32009E-01 ppm1      1.564 ppm2      1.682 CV     1
 OR {  768}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 9    and name HD2 ))
 OR {  768}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 9    and name HD2 ))
 OR {  768}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 9    and name HD1 ))
 ASSI {  769}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 14   and name HA  ))
      2.800     1.000     1.000 peak   769 spectrum    2 weight  0.11000E+01 volume  0.31489E-02 ppm1      3.517 ppm2      4.777 CV     1
 OR {  769}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  782}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 4    and name HG11))
      4.400     2.400     1.600 peak   782 spectrum    2 weight  0.11000E+01 volume  0.19003E-03 ppm1      8.174 ppm2      1.187 CV     1
 ASSI {  785}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      5.200     3.300     0.800 peak   785 spectrum    2 weight  0.11000E+01 volume  0.35691E-03 ppm1      8.052 ppm2      4.426 CV     1
 ASSI {  787}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      5.000     3.200     1.000 peak   787 spectrum    2 weight  0.11000E+01 volume  0.31920E-03 ppm1      7.877 ppm2      4.099 CV     1
 ASSI {  790}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      4.100     2.100     1.900 peak   790 spectrum    2 weight  0.11000E+01 volume  0.14215E-03 ppm1      8.701 ppm2      2.394 CV     1
 ASSI {  791}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 15   and name HD2%)
      3.900     3.900     2.100 peak   791 spectrum    2 weight  0.10000E+01 volume  0.18584E-03 ppm1      8.791 ppm2      0.858 CV     1
 ASSI {  794}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 13   and name HG1 ))
      3.700     1.700     1.700 peak   794 spectrum    2 weight  0.11000E+01 volume  0.61419E-03 ppm1      7.974 ppm2      2.214 CV     1
 OR {  794}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
 ASSI {  795}
   (( segid "    " and resid 12   and name HE  ))
   (  segid "    " and resid 10   and name HD1%)
      5.100     3.200     0.900 peak   795 spectrum    2 weight  0.11000E+01 volume  0.11214E-03 ppm1      7.241 ppm2      0.935 CV     1
 ASSI {  800}
   (( segid "    " and resid 30   and name HD21))
   (( segid "    " and resid 30   and name HB2 ))
      4.800     2.800     1.200 peak   800 spectrum    2 weight  0.10000E+01 volume  0.12458E-03 ppm1      7.578 ppm2      2.766 CV     1
 ASSI {  804}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     1.200     1.200 peak   804 spectrum    2 weight  0.10000E+01 volume  0.25664E-02 ppm1      8.654 ppm2      5.325 CV     1
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT3      GLY   1   2.683  10.234   0.318
    2    H2   GLY   1           HT2      GLY   1   4.192  10.426   1.059
    3    H3   GLY   1           HT1      GLY   1   4.026  10.696  -0.604
    4   1HA   GLY   1           HA2      GLY   1   3.694   8.086   0.773
    5   2HA   GLY   1           HA1      GLY   1   5.082   8.565  -0.196
    6    H    VAL   2           HN       VAL   2   4.120   6.362  -1.107
    7    HA   VAL   2           HA       VAL   2   2.775   7.179  -3.563
    8    HB   VAL   2           HB       VAL   2   4.051   4.515  -2.909
    9   1HG1  VAL   2          1HG1      VAL   2   2.372   4.399  -4.682
   10   2HG1  VAL   2          3HG1      VAL   2   3.189   5.701  -5.546
   11   3HG1  VAL   2          2HG1      VAL   2   3.996   4.149  -5.324
   12   1HG2  VAL   2          2HG2      VAL   2   5.697   6.326  -2.857
   13   2HG2  VAL   2          1HG2      VAL   2   5.941   5.283  -4.259
   14   3HG2  VAL   2          3HG2      VAL   2   5.167   6.856  -4.454
   15    H    ILE   3           HN       ILE   3   0.667   7.361  -2.971
   16    HA   ILE   3           HA       ILE   3  -0.655   5.061  -1.753
   17    HB   ILE   3           HB       ILE   3  -1.467   7.912  -2.221
   18   1HG1  ILE   3          2HG1      ILE   3  -2.073   7.779   0.175
   19   2HG1  ILE   3          1HG1      ILE   3  -1.563   6.097   0.198
   20   1HG2  ILE   3          2HG2      ILE   3  -3.351   6.615  -3.049
   21   2HG2  ILE   3          1HG2      ILE   3  -3.380   5.680  -1.554
   22   3HG2  ILE   3          3HG2      ILE   3  -3.756   7.403  -1.524
   23   1HD1  ILE   3          1HD1      ILE   3   0.720   6.803  -0.328
   24   2HD1  ILE   3          3HD1      ILE   3   0.194   8.486  -0.300
   25   3HD1  ILE   3          2HD1      ILE   3   0.123   7.512   1.171
   26    H    ILE   4           HN       ILE   4  -1.641   3.581  -2.938
   27    HA   ILE   4           HA       ILE   4  -2.334   4.244  -5.712
   28    HB   ILE   4           HB       ILE   4  -2.479   1.813  -6.108
   29   1HG1  ILE   4          2HG1      ILE   4  -1.465   1.585  -3.262
   30   2HG1  ILE   4          1HG1      ILE   4  -3.056   1.090  -3.834
   31   1HG2  ILE   4          3HG2      ILE   4   0.120   2.766  -4.916
   32   2HG2  ILE   4          2HG2      ILE   4  -0.057   1.355  -5.961
   33   3HG2  ILE   4          1HG2      ILE   4  -0.411   2.967  -6.586
   34   1HD1  ILE   4          3HD1      ILE   4  -0.427  -0.100  -4.690
   35   2HD1  ILE   4          2HD1      ILE   4  -1.574  -0.814  -3.554
   36   3HD1  ILE   4          1HD1      ILE   4  -2.022  -0.603  -5.248
   37    H    ASN   5           HN       ASN   5  -4.391   3.881  -6.503
   38    HA   ASN   5           HA       ASN   5  -6.439   4.182  -4.483
   39   1HB   ASN   5           HB2      ASN   5  -7.926   4.729  -6.365
   40   2HB   ASN   5           HB1      ASN   5  -6.448   5.684  -6.408
   41   1HD2  ASN   5          1HD2      ASN   5  -8.379   4.917  -8.517
   42   2HD2  ASN   5          2HD2      ASN   5  -7.418   4.151  -9.753
   43    H    VAL   6           HN       VAL   6  -5.128   1.545  -5.004
   44    HA   VAL   6           HA       VAL   6  -7.174  -0.172  -6.052
   45    HB   VAL   6           HB       VAL   6  -4.748  -0.839  -4.359
   46   1HG1  VAL   6          3HG1      VAL   6  -6.539  -2.628  -6.007
   47   2HG1  VAL   6          2HG1      VAL   6  -5.034  -3.127  -5.233
   48   3HG1  VAL   6          1HG1      VAL   6  -6.404  -2.611  -4.249
   49   1HG2  VAL   6          3HG2      VAL   6  -5.133  -0.877  -7.354
   50   2HG2  VAL   6          2HG2      VAL   6  -4.085   0.203  -6.436
   51   3HG2  VAL   6          1HG2      VAL   6  -3.727  -1.521  -6.505
   52    H    LYS   7           HN       LYS   7  -8.798  -1.169  -4.946
   53    HA   LYS   7           HA       LYS   7  -9.550  -0.286  -2.385
   54   1HB   LYS   7           HB2      LYS   7 -11.307  -1.052  -3.730
   55   2HB   LYS   7           HB1      LYS   7 -10.458  -2.524  -4.166
   56   1HG   LYS   7           HG2      LYS   7 -12.151  -3.228  -2.749
   57   2HG   LYS   7           HG1      LYS   7 -10.721  -3.207  -1.729
   58   1HD   LYS   7           HD2      LYS   7 -12.721  -0.959  -1.832
   59   2HD   LYS   7           HD1      LYS   7 -12.831  -2.306  -0.699
   60   1HE   LYS   7           HE2      LYS   7 -10.487  -1.654   0.056
   61   2HE   LYS   7           HE1      LYS   7 -10.714  -0.165  -0.859
   62   1HZ   LYS   7           HZ1      LYS   7 -12.444  -1.120   1.355
   63   2HZ   LYS   7           HZ3      LYS   7 -11.296   0.120   1.470
   64   3HZ   LYS   7           HZ2      LYS   7 -12.665   0.319   0.484
   65    H    CYS   8           HN       CYS   8  -8.291  -0.620  -0.727
   66    HA   CYS   8           HA       CYS   8  -6.831  -3.039  -0.274
   67   1HB   CYS   8           HB2      CYS   8  -6.305  -1.899   1.904
   68   2HB   CYS   8           HB1      CYS   8  -5.884  -0.973   0.464
   69    H    LYS   9           HN       LYS   9  -8.648  -4.600  -0.280
   70    HA   LYS   9           HA       LYS   9 -10.643  -4.535   1.753
   71   1HB   LYS   9           HB2      LYS   9  -9.435  -6.965   0.409
   72   2HB   LYS   9           HB1      LYS   9 -10.964  -6.914   1.270
   73   1HG   LYS   9           HG2      LYS   9 -10.364  -5.363  -1.238
   74   2HG   LYS   9           HG1      LYS   9 -11.190  -6.918  -1.190
   75   1HD   LYS   9           HD2      LYS   9 -12.148  -4.419   0.207
   76   2HD   LYS   9           HD1      LYS   9 -12.730  -4.980  -1.359
   77   1HE   LYS   9           HE2      LYS   9 -13.405  -7.122  -0.249
   78   2HE   LYS   9           HE1      LYS   9 -12.999  -6.380   1.299
   79   1HZ   LYS   9           HZ2      LYS   9 -14.639  -4.647   0.831
   80   2HZ   LYS   9           HZ1      LYS   9 -15.051  -5.417  -0.621
   81   3HZ   LYS   9           HZ3      LYS   9 -15.349  -6.187   0.861
   82    H    ILE  10           HN       ILE  10  -7.373  -5.034   1.700
   83    HA   ILE  10           HA       ILE  10  -7.053  -5.471   4.498
   84    HB   ILE  10           HB       ILE  10  -5.531  -7.528   4.072
   85   1HG1  ILE  10          2HG1      ILE  10  -7.406  -7.763   1.714
   86   2HG1  ILE  10          1HG1      ILE  10  -5.665  -7.529   1.634
   87   1HG2  ILE  10          1HG2      ILE  10  -8.527  -7.822   4.080
   88   2HG2  ILE  10          3HG2      ILE  10  -7.382  -9.099   4.486
   89   3HG2  ILE  10          2HG2      ILE  10  -7.478  -7.650   5.488
   90   1HD1  ILE  10          2HD1      ILE  10  -5.330  -9.722   2.656
   91   2HD1  ILE  10          1HD1      ILE  10  -7.077  -9.952   2.724
   92   3HD1  ILE  10          3HD1      ILE  10  -6.265  -9.829   1.163
   93    H    SER  11           HN       SER  11  -4.902  -4.990   5.109
   94    HA   SER  11           HA       SER  11  -3.605  -3.242   3.273
   95   1HB   SER  11           HB2      SER  11  -2.787  -4.228   6.007
   96   2HB   SER  11           HB1      SER  11  -1.915  -2.987   5.102
   97    HG   SER  11           HG       SER  11  -4.268  -2.815   6.517
   98    H    ARG  12           HN       ARG  12  -3.088  -6.564   4.188
   99    HA   ARG  12           HA       ARG  12  -0.404  -6.776   3.384
  100   1HB   ARG  12           HB2      ARG  12  -0.790  -9.209   3.306
  101   2HB   ARG  12           HB1      ARG  12  -1.387  -8.472   4.784
  102   1HG   ARG  12           HG2      ARG  12  -3.639  -8.670   4.082
  103   2HG   ARG  12           HG1      ARG  12  -3.158  -9.097   2.437
  104   1HD   ARG  12           HD2      ARG  12  -2.624 -10.745   4.910
  105   2HD   ARG  12           HD1      ARG  12  -3.885 -11.063   3.719
  106    HE   ARG  12           HE       ARG  12  -1.511 -10.946   2.308
  107   1HH1  ARG  12          1HH1      ARG  12  -2.859 -12.938   4.863
  108   2HH1  ARG  12          2HH1      ARG  12  -1.937 -14.346   4.420
  109   1HH2  ARG  12          1HH2      ARG  12  -0.302 -12.788   1.733
  110   2HH2  ARG  12          2HH2      ARG  12  -0.467 -14.253   2.657
  111    H    GLN  13           HN       GLN  13  -3.359  -6.796   1.513
  112    HA   GLN  13           HA       GLN  13  -2.179  -8.015  -0.802
  113   1HB   GLN  13           HB2      GLN  13  -4.227  -7.583  -1.929
  114   2HB   GLN  13           HB1      GLN  13  -4.658  -7.990  -0.276
  115   1HG   GLN  13           HG2      GLN  13  -5.006  -5.685   0.250
  116   2HG   GLN  13           HG1      GLN  13  -4.457  -5.202  -1.352
  117   1HE2  GLN  13          1HE2      GLN  13  -5.793  -5.538  -3.123
  118   2HE2  GLN  13          2HE2      GLN  13  -7.483  -5.857  -2.940
  119    H    CYS  14           HN       CYS  14  -2.226  -4.878   0.543
  120    HA   CYS  14           HA       CYS  14  -1.472  -3.583  -1.952
  121   1HB   CYS  14           HB2      CYS  14  -1.601  -2.370   0.812
  122   2HB   CYS  14           HB1      CYS  14  -1.593  -1.521  -0.729
  123    H    LEU  15           HN       LEU  15  -0.127  -4.467   1.181
  124    HA   LEU  15           HA       LEU  15   2.313  -3.080   0.832
  125   1HB   LEU  15           HB2      LEU  15   1.511  -3.606   3.040
  126   2HB   LEU  15           HB1      LEU  15   1.564  -5.325   2.693
  127    HG   LEU  15           HG       LEU  15   4.031  -5.153   2.443
  128   1HD1  LEU  15          1HD1      LEU  15   3.614  -2.355   3.484
  129   2HD1  LEU  15          3HD1      LEU  15   5.168  -3.172   3.313
  130   3HD1  LEU  15          2HD1      LEU  15   4.206  -2.802   1.884
  131   1HD2  LEU  15          1HD2      LEU  15   3.026  -5.910   4.530
  132   2HD2  LEU  15          3HD2      LEU  15   4.494  -4.985   4.842
  133   3HD2  LEU  15          2HD2      LEU  15   2.912  -4.243   5.095
  134    H    LYS  16           HN       LYS  16   1.306  -6.357   0.029
  135    HA   LYS  16           HA       LYS  16   3.819  -7.528  -0.175
  136   1HB   LYS  16           HB2      LYS  16   1.609  -8.728  -0.271
  137   2HB   LYS  16           HB1      LYS  16   1.454  -8.212  -1.932
  138   1HG   LYS  16           HG2      LYS  16   3.712  -9.915  -0.907
  139   2HG   LYS  16           HG1      LYS  16   2.240 -10.534  -1.649
  140   1HD   LYS  16           HD2      LYS  16   2.774  -9.308  -3.709
  141   2HD   LYS  16           HD1      LYS  16   4.265  -8.730  -2.965
  142   1HE   LYS  16           HE2      LYS  16   3.567 -11.626  -3.447
  143   2HE   LYS  16           HE1      LYS  16   4.625 -10.656  -4.467
  144   1HZ   LYS  16           HZ3      LYS  16   6.076 -10.348  -2.509
  145   2HZ   LYS  16           HZ2      LYS  16   5.087 -11.414  -1.633
  146   3HZ   LYS  16           HZ1      LYS  16   5.941 -11.968  -2.991
  147    HA   PRO  17           HA       PRO  17   4.190  -6.158  -4.739
  148   1HB   PRO  17           HB2      PRO  17   2.465  -4.373  -5.782
  149   2HB   PRO  17           HB1      PRO  17   2.133  -6.112  -5.779
  150   1HG   PRO  17           HG2      PRO  17   1.153  -4.005  -3.882
  151   2HG   PRO  17           HG1      PRO  17   0.236  -5.291  -4.692
  152   1HD   PRO  17           HD2      PRO  17   1.084  -5.520  -2.139
  153   2HD   PRO  17           HD1      PRO  17   0.983  -6.909  -3.239
  154    H    CYS  18           HN       CYS  18   3.251  -3.913  -2.238
  155    HA   CYS  18           HA       CYS  18   4.595  -1.673  -3.446
  156   1HB   CYS  18           HB2      CYS  18   3.326  -2.078  -0.745
  157   2HB   CYS  18           HB1      CYS  18   4.242  -0.627  -1.133
  158    H    LYS  19           HN       LYS  19   5.297  -3.787  -0.641
  159    HA   LYS  19           HA       LYS  19   7.816  -2.600  -0.120
  160   1HB   LYS  19           HB2      LYS  19   6.533  -4.035   1.494
  161   2HB   LYS  19           HB1      LYS  19   6.975  -5.433   0.519
  162   1HG   LYS  19           HG2      LYS  19   9.353  -4.941   0.930
  163   2HG   LYS  19           HG1      LYS  19   8.877  -3.591   1.959
  164   1HD   LYS  19           HD2      LYS  19   8.197  -6.493   2.427
  165   2HD   LYS  19           HD1      LYS  19   9.449  -5.578   3.269
  166   1HE   LYS  19           HE2      LYS  19   7.646  -3.999   4.018
  167   2HE   LYS  19           HE1      LYS  19   6.470  -5.140   3.364
  168   1HZ   LYS  19           HZ3      LYS  19   7.614  -6.844   4.843
  169   2HZ   LYS  19           HZ2      LYS  19   8.344  -5.524   5.619
  170   3HZ   LYS  19           HZ1      LYS  19   6.657  -5.673   5.617
  171    H    ASP  20           HN       ASP  20   6.718  -4.832  -2.462
  172    HA   ASP  20           HA       ASP  20   9.300  -5.928  -3.101
  173   1HB   ASP  20           HB2      ASP  20   7.143  -7.150  -3.435
  174   2HB   ASP  20           HB1      ASP  20   6.738  -6.003  -4.707
  175    H    ALA  21           HN       ALA  21   7.495  -3.134  -3.912
  176    HA   ALA  21           HA       ALA  21   9.140  -2.573  -6.267
  177   1HB   ALA  21           HB3      ALA  21   6.714  -2.226  -6.435
  178   2HB   ALA  21           HB1      ALA  21   7.616  -0.728  -6.677
  179   3HB   ALA  21           HB2      ALA  21   6.807  -1.033  -5.140
  180    H    GLY  22           HN       GLY  22   8.588  -1.540  -2.979
  181   1HA   GLY  22           HA1      GLY  22  10.618   0.576  -3.284
  182   2HA   GLY  22           HA2      GLY  22  10.818  -0.659  -2.045
  183    H    MET  23           HN       MET  23   8.226  -0.917  -1.158
  184    HA   MET  23           HA       MET  23   7.934   1.630   0.255
  185   1HB   MET  23           HB2      MET  23   5.684  -0.121  -0.758
  186   2HB   MET  23           HB1      MET  23   5.473   1.192   0.392
  187   1HG   MET  23           HG2      MET  23   4.883   2.135  -1.636
  188   2HG   MET  23           HG1      MET  23   6.539   2.678  -1.386
  189   1HE   MET  23           HE3      MET  23   5.178   2.914  -4.194
  190   2HE   MET  23           HE2      MET  23   6.871   3.332  -3.930
  191   3HE   MET  23           HE1      MET  23   6.422   2.274  -5.269
  192    H    ARG  24           HN       ARG  24   8.670   1.210   2.198
  193    HA   ARG  24           HA       ARG  24   8.792  -1.322   3.392
  194   1HB   ARG  24           HB2      ARG  24  10.253  -0.229   4.657
  195   2HB   ARG  24           HB1      ARG  24   9.849   1.226   3.769
  196   1HG   ARG  24           HG2      ARG  24   8.191   1.820   5.428
  197   2HG   ARG  24           HG1      ARG  24   8.494   0.317   6.300
  198   1HD   ARG  24           HD2      ARG  24   9.625   2.278   7.305
  199   2HD   ARG  24           HD1      ARG  24  10.743   1.006   6.811
  200    HE   ARG  24           HE       ARG  24  10.900   2.522   4.682
  201   1HH1  ARG  24          1HH1      ARG  24  10.728   3.578   8.020
  202   2HH1  ARG  24          2HH1      ARG  24  11.645   5.026   7.736
  203   1HH2  ARG  24          1HH2      ARG  24  12.101   4.391   4.314
  204   2HH2  ARG  24          2HH2      ARG  24  12.412   5.498   5.622
  205    H    PHE  25           HN       PHE  25   6.348   1.180   3.468
  206    HA   PHE  25           HA       PHE  25   4.819  -0.494   5.357
  207   1HB   PHE  25           HB2      PHE  25   4.675   2.495   4.955
  208   2HB   PHE  25           HB1      PHE  25   3.504   1.580   5.890
  209    HD1  PHE  25           HD1      PHE  25   4.669  -0.012   7.713
  210    HD2  PHE  25           HD2      PHE  25   6.318   3.576   6.120
  211    HE1  PHE  25           HE1      PHE  25   6.069   0.232   9.719
  212    HE2  PHE  25           HE2      PHE  25   7.723   3.823   8.125
  213    HZ   PHE  25           HZ       PHE  25   7.599   2.149   9.929
  214    H    GLY  26           HN       GLY  26   2.530  -0.581   5.022
  215   1HA   GLY  26           HA1      GLY  26   1.648  -1.352   2.576
  216   2HA   GLY  26           HA2      GLY  26   1.377   0.389   2.572
  217    H    LYS  27           HN       LYS  27  -0.175   1.273   3.939
  218    HA   LYS  27           HA       LYS  27  -1.734  -0.653   5.533
  219   1HB   LYS  27           HB2      LYS  27  -0.381   0.999   6.835
  220   2HB   LYS  27           HB1      LYS  27  -1.322   2.286   6.097
  221   1HG   LYS  27           HG2      LYS  27  -3.358   1.332   7.107
  222   2HG   LYS  27           HG1      LYS  27  -2.359   0.115   7.904
  223   1HD   LYS  27           HD2      LYS  27  -1.096   1.951   9.001
  224   2HD   LYS  27           HD1      LYS  27  -2.230   3.102   8.292
  225   1HE   LYS  27           HE2      LYS  27  -2.944   2.680  10.522
  226   2HE   LYS  27           HE1      LYS  27  -4.071   1.859   9.444
  227   1HZ   LYS  27           HZ3      LYS  27  -2.789  -0.210   9.848
  228   2HZ   LYS  27           HZ2      LYS  27  -1.863   0.620  11.000
  229   3HZ   LYS  27           HZ1      LYS  27  -3.529   0.412  11.244
  230    H    CYS  28           HN       CYS  28  -3.873  -0.730   5.222
  231    HA   CYS  28           HA       CYS  28  -5.032   0.686   3.029
  232   1HB   CYS  28           HB2      CYS  28  -5.797  -1.535   3.409
  233   2HB   CYS  28           HB1      CYS  28  -6.165  -1.194   5.092
  234    H    MET  29           HN       MET  29  -5.940   2.631   3.051
  235    HA   MET  29           HA       MET  29  -7.116   3.644   5.541
  236   1HB   MET  29           HB2      MET  29  -4.978   5.042   3.935
  237   2HB   MET  29           HB1      MET  29  -6.018   5.881   5.077
  238   1HG   MET  29           HG2      MET  29  -4.184   3.598   5.775
  239   2HG   MET  29           HG1      MET  29  -3.813   5.307   6.006
  240   1HE   MET  29           HE1      MET  29  -6.750   6.360   6.835
  241   2HE   MET  29           HE3      MET  29  -6.630   6.316   8.595
  242   3HE   MET  29           HE2      MET  29  -5.275   6.907   7.633
  243    H    ASN  30           HN       ASN  30  -9.131   4.136   5.054
  244    HA   ASN  30           HA       ASN  30 -10.934   5.148   4.138
  245   1HB   ASN  30           HB2      ASN  30  -8.797   6.819   2.816
  246   2HB   ASN  30           HB1      ASN  30 -10.517   7.144   2.635
  247   1HD2  ASN  30          1HD2      ASN  30 -10.339   9.147   3.618
  248   2HD2  ASN  30          2HD2      ASN  30 -10.094   9.316   5.321
  249    H    GLY  31           HN       GLY  31  -9.260   3.002   2.582
  250   1HA   GLY  31           HA1      GLY  31 -10.915   3.207   0.148
  251   2HA   GLY  31           HA2      GLY  31 -10.492   1.692   0.931
  252    H    LYS  32           HN       LYS  32  -8.002   4.011   0.835
  253    HA   LYS  32           HA       LYS  32  -6.884   2.853  -1.620
  254   1HB   LYS  32           HB2      LYS  32  -6.470   5.460  -0.206
  255   2HB   LYS  32           HB1      LYS  32  -5.193   4.822  -1.234
  256   1HG   LYS  32           HG2      LYS  32  -6.497   6.352  -2.515
  257   2HG   LYS  32           HG1      LYS  32  -6.838   4.724  -3.099
  258   1HD   LYS  32           HD2      LYS  32  -8.885   4.711  -1.695
  259   2HD   LYS  32           HD1      LYS  32  -8.552   6.391  -1.266
  260   1HE   LYS  32           HE2      LYS  32  -8.675   7.009  -3.631
  261   2HE   LYS  32           HE1      LYS  32  -9.030   5.332  -4.049
  262   1HZ   LYS  32           HZ2      LYS  32 -11.032   5.478  -2.679
  263   2HZ   LYS  32           HZ1      LYS  32 -10.697   7.109  -2.357
  264   3HZ   LYS  32           HZ3      LYS  32 -11.053   6.613  -3.941
  265    H    CYS  33           HN       CYS  33  -4.657   2.287  -1.676
  266    HA   CYS  33           HA       CYS  33  -3.726   1.170   0.854
  267   1HB   CYS  33           HB2      CYS  33  -2.597   0.839  -1.935
  268   2HB   CYS  33           HB1      CYS  33  -2.134  -0.079  -0.512
  269    H    HIS  34           HN       HIS  34  -2.568   2.492   2.064
  270    HA   HIS  34           HA       HIS  34  -0.973   4.608   0.867
  271   1HB   HIS  34           HB2      HIS  34  -1.779   3.899   3.674
  272   2HB   HIS  34           HB1      HIS  34  -0.488   5.058   3.379
  273    HD1  HIS  34           HD1      HIS  34  -1.647   7.137   4.163
  274    HD2  HIS  34           HD2      HIS  34  -3.869   5.009   1.362
  275    HE1  HIS  34           HE1      HIS  34  -3.558   8.647   3.518
  276    HE2  HIS  34           HE2      HIS  34  -4.738   7.432   1.650
  277    H    CYS  35           HN       CYS  35   0.779   3.663  -0.073
  278    HA   CYS  35           HA       CYS  35   2.396   1.857   1.556
  279   1HB   CYS  35           HB2      CYS  35   2.490   2.454  -1.405
  280   2HB   CYS  35           HB1      CYS  35   3.551   1.325  -0.569
  281    H    THR  36           HN       THR  36   3.857   2.807   2.729
  282    HA   THR  36           HA       THR  36   5.075   5.331   1.930
  283    HB   THR  36           HB       THR  36   5.729   3.783   4.427
  284    HG1  THR  36           HG1      THR  36   3.346   5.130   3.754
  285   1HG2  THR  36          3HG2      THR  36   5.570   6.737   3.818
  286   2HG2  THR  36          2HG2      THR  36   6.011   6.032   5.374
  287   3HG2  THR  36          1HG2      THR  36   7.048   5.786   3.967
  288    HA   PRO  37           HA       PRO  37   8.348   3.330  -0.208
  289   1HB   PRO  37           HB2      PRO  37  10.016   5.593   0.758
  290   2HB   PRO  37           HB1      PRO  37   9.735   5.021  -0.890
  291   1HG   PRO  37           HG2      PRO  37   8.565   7.235  -0.018
  292   2HG   PRO  37           HG1      PRO  37   7.681   6.092  -1.048
  293   1HD   PRO  37           HD2      PRO  37   7.499   6.514   1.906
  294   2HD   PRO  37           HD1      PRO  37   6.207   6.191   0.731
  295    H    LYS  38           HN       LYS  38  10.139   2.099   0.061
  296    HA   LYS  38           HA       LYS  38  10.731   1.148   2.663
  297   1HB   LYS  38           HB2      LYS  38  10.840  -0.202   0.558
  298   2HB   LYS  38           HB1      LYS  38  12.280   0.694   0.101
  299   1HG   LYS  38           HG2      LYS  38  12.991  -1.382   0.988
  300   2HG   LYS  38           HG1      LYS  38  13.348  -0.161   2.211
  301   1HD   LYS  38           HD2      LYS  38  11.412  -0.779   3.480
  302   2HD   LYS  38           HD1      LYS  38  10.868  -1.865   2.202
  303   1HE   LYS  38           HE2      LYS  38  11.863  -3.133   4.013
  304   2HE   LYS  38           HE1      LYS  38  12.862  -3.263   2.567
  305   1HZ   LYS  38           HZ2      LYS  38  13.384  -1.443   4.860
  306   2HZ   LYS  38           HZ1      LYS  38  14.188  -2.909   4.566
  307   3HZ   LYS  38           HZ3      LYS  38  14.359  -1.612   3.484

  No H/Q in entry =         307
  Start of MODEL    2
    1    H1   GLY   1           HT2      GLY   1   4.184  11.021  -0.635
    2    H2   GLY   1           HT1      GLY   1   2.967  10.526   0.436
    3    H3   GLY   1           HT3      GLY   1   4.562  10.704   0.990
    4   1HA   GLY   1           HA2      GLY   1   3.955   8.361   0.665
    5   2HA   GLY   1           HA1      GLY   1   5.302   8.871  -0.346
    6    H    VAL   2           HN       VAL   2   4.160   6.688  -1.247
    7    HA   VAL   2           HA       VAL   2   2.868   7.678  -3.672
    8    HB   VAL   2           HB       VAL   2   3.986   4.924  -3.129
    9   1HG1  VAL   2          1HG1      VAL   2   3.122   6.266  -5.690
   10   2HG1  VAL   2          3HG1      VAL   2   3.918   4.697  -5.583
   11   3HG1  VAL   2          2HG1      VAL   2   2.313   4.922  -4.885
   12   1HG2  VAL   2          1HG2      VAL   2   5.224   7.270  -4.565
   13   2HG2  VAL   2          3HG2      VAL   2   5.748   6.597  -3.022
   14   3HG2  VAL   2          2HG2      VAL   2   5.897   5.640  -4.498
   15    H    ILE   3           HN       ILE   3   0.779   7.962  -3.086
   16    HA   ILE   3           HA       ILE   3  -0.711   5.845  -1.796
   17    HB   ILE   3           HB       ILE   3  -1.813   8.355  -3.067
   18   1HG1  ILE   3          2HG1      ILE   3  -0.159   9.060  -1.460
   19   2HG1  ILE   3          1HG1      ILE   3  -1.752   9.301  -0.749
   20   1HG2  ILE   3          2HG2      ILE   3  -3.463   6.621  -2.577
   21   2HG2  ILE   3          1HG2      ILE   3  -2.907   6.557  -0.906
   22   3HG2  ILE   3          3HG2      ILE   3  -3.677   8.019  -1.523
   23   1HD1  ILE   3          1HD1      ILE   3   0.111   7.009  -0.170
   24   2HD1  ILE   3          3HD1      ILE   3  -0.178   8.404   0.867
   25   3HD1  ILE   3          2HD1      ILE   3  -1.479   7.256   0.551
   26    H    ILE   4           HN       ILE   4  -1.226   4.104  -2.966
   27    HA   ILE   4           HA       ILE   4  -1.814   4.465  -5.812
   28    HB   ILE   4           HB       ILE   4  -1.608   2.009  -6.004
   29   1HG1  ILE   4          2HG1      ILE   4  -0.798   2.152  -3.094
   30   2HG1  ILE   4          1HG1      ILE   4  -2.249   1.383  -3.728
   31   1HG2  ILE   4          1HG2      ILE   4   0.306   3.447  -6.433
   32   2HG2  ILE   4          3HG2      ILE   4   0.757   3.373  -4.728
   33   3HG2  ILE   4          2HG2      ILE   4   0.818   1.916  -5.721
   34   1HD1  ILE   4          2HD1      ILE   4   0.583   0.532  -4.289
   35   2HD1  ILE   4          1HD1      ILE   4  -0.545  -0.254  -3.184
   36   3HD1  ILE   4          3HD1      ILE   4  -0.873  -0.241  -4.917
   37    H    ASN   5           HN       ASN   5  -3.772   4.290  -6.600
   38    HA   ASN   5           HA       ASN   5  -6.044   3.904  -4.937
   39   1HB   ASN   5           HB2      ASN   5  -5.963   3.964  -7.960
   40   2HB   ASN   5           HB1      ASN   5  -7.331   4.351  -6.920
   41   1HD2  ASN   5          1HD2      ASN   5  -6.099   6.005  -8.958
   42   2HD2  ASN   5          2HD2      ASN   5  -5.544   7.434  -8.147
   43    H    VAL   6           HN       VAL   6  -5.039   1.703  -4.330
   44    HA   VAL   6           HA       VAL   6  -6.225  -0.383  -6.041
   45    HB   VAL   6           HB       VAL   6  -3.920  -0.611  -4.086
   46   1HG1  VAL   6          3HG1      VAL   6  -5.197  -2.732  -5.811
   47   2HG1  VAL   6          2HG1      VAL   6  -3.735  -2.935  -4.847
   48   3HG1  VAL   6          1HG1      VAL   6  -5.281  -2.631  -4.053
   49   1HG2  VAL   6          3HG2      VAL   6  -3.998  -0.850  -7.093
   50   2HG2  VAL   6          2HG2      VAL   6  -3.283   0.472  -6.169
   51   3HG2  VAL   6          1HG2      VAL   6  -2.589  -1.147  -6.077
   52    H    LYS   7           HN       LYS   7  -7.779  -1.647  -5.159
   53    HA   LYS   7           HA       LYS   7  -9.015  -0.870  -2.743
   54   1HB   LYS   7           HB2      LYS   7 -10.410  -1.868  -4.369
   55   2HB   LYS   7           HB1      LYS   7  -9.349  -3.256  -4.546
   56   1HG   LYS   7           HG2      LYS   7 -11.184  -4.066  -3.373
   57   2HG   LYS   7           HG1      LYS   7  -9.960  -3.821  -2.132
   58   1HD   LYS   7           HD2      LYS   7 -12.135  -1.829  -2.759
   59   2HD   LYS   7           HD1      LYS   7 -12.287  -3.097  -1.536
   60   1HE   LYS   7           HE2      LYS   7 -10.397  -2.160  -0.314
   61   2HE   LYS   7           HE1      LYS   7 -10.183  -0.922  -1.549
   62   1HZ   LYS   7           HZ1      LYS   7 -12.717  -1.215  -0.047
   63   2HZ   LYS   7           HZ3      LYS   7 -11.429  -0.275   0.537
   64   3HZ   LYS   7           HZ2      LYS   7 -12.168   0.122  -0.941
   65    H    CYS   8           HN       CYS   8  -7.920  -1.056  -0.891
   66    HA   CYS   8           HA       CYS   8  -6.499  -3.496  -0.268
   67   1HB   CYS   8           HB2      CYS   8  -6.110  -2.392   1.928
   68   2HB   CYS   8           HB1      CYS   8  -5.566  -1.435   0.555
   69    H    LYS   9           HN       LYS   9  -8.306  -4.969  -0.459
   70    HA   LYS   9           HA       LYS   9 -10.597  -4.835   1.178
   71   1HB   LYS   9           HB2      LYS   9  -9.782  -6.476  -0.804
   72   2HB   LYS   9           HB1      LYS   9  -9.436  -7.504   0.577
   73   1HG   LYS   9           HG2      LYS   9 -11.660  -7.891  -0.440
   74   2HG   LYS   9           HG1      LYS   9 -11.721  -7.464   1.271
   75   1HD   LYS   9           HD2      LYS   9 -12.703  -5.441   0.873
   76   2HD   LYS   9           HD1      LYS   9 -11.933  -5.244  -0.709
   77   1HE   LYS   9           HE2      LYS   9 -14.439  -5.636  -0.704
   78   2HE   LYS   9           HE1      LYS   9 -13.484  -6.684  -1.747
   79   1HZ   LYS   9           HZ3      LYS   9 -14.475  -7.428   0.961
   80   2HZ   LYS   9           HZ2      LYS   9 -15.192  -7.893  -0.505
   81   3HZ   LYS   9           HZ1      LYS   9 -13.636  -8.435  -0.117
   82    H    ILE  10           HN       ILE  10  -7.370  -5.446   1.748
   83    HA   ILE  10           HA       ILE  10  -7.613  -5.395   4.580
   84    HB   ILE  10           HB       ILE  10  -6.066  -7.400   4.907
   85   1HG1  ILE  10          2HG1      ILE  10  -7.190  -8.180   2.213
   86   2HG1  ILE  10          1HG1      ILE  10  -5.512  -7.759   2.543
   87   1HG2  ILE  10          1HG2      ILE  10  -8.355  -7.430   5.701
   88   2HG2  ILE  10          3HG2      ILE  10  -8.920  -7.957   4.114
   89   3HG2  ILE  10          2HG2      ILE  10  -7.897  -9.017   5.083
   90   1HD1  ILE  10          1HD1      ILE  10  -6.994 -10.123   3.676
   91   2HD1  ILE  10          3HD1      ILE  10  -5.807 -10.165   2.372
   92   3HD1  ILE  10          2HD1      ILE  10  -5.311  -9.706   4.001
   93    H    SER  11           HN       SER  11  -5.295  -5.212   5.512
   94    HA   SER  11           HA       SER  11  -3.869  -3.362   3.938
   95   1HB   SER  11           HB2      SER  11  -3.040  -4.897   6.407
   96   2HB   SER  11           HB1      SER  11  -2.062  -3.622   5.679
   97    HG   SER  11           HG       SER  11  -4.189  -3.406   7.322
   98    H    ARG  12           HN       ARG  12  -3.511  -6.828   4.325
   99    HA   ARG  12           HA       ARG  12  -0.964  -7.195   3.268
  100   1HB   ARG  12           HB2      ARG  12  -3.388  -8.985   3.089
  101   2HB   ARG  12           HB1      ARG  12  -1.767  -9.481   2.631
  102   1HG   ARG  12           HG2      ARG  12  -1.054  -8.939   4.986
  103   2HG   ARG  12           HG1      ARG  12  -2.769  -8.764   5.372
  104   1HD   ARG  12           HD2      ARG  12  -1.932 -11.013   5.905
  105   2HD   ARG  12           HD1      ARG  12  -3.185 -11.054   4.663
  106    HE   ARG  12           HE       ARG  12  -0.477 -10.945   3.655
  107   1HH1  ARG  12          1HH1      ARG  12  -3.082 -13.073   4.687
  108   2HH1  ARG  12          2HH1      ARG  12  -2.530 -14.406   3.714
  109   1HH2  ARG  12          1HH2      ARG  12   0.211 -12.692   2.360
  110   2HH2  ARG  12          2HH2      ARG  12  -0.684 -14.184   2.381
  111    H    GLN  13           HN       GLN  13  -3.987  -6.549   1.638
  112    HA   GLN  13           HA       GLN  13  -3.318  -7.484  -0.933
  113   1HB   GLN  13           HB2      GLN  13  -5.207  -5.275  -0.117
  114   2HB   GLN  13           HB1      GLN  13  -5.120  -5.962  -1.729
  115   1HG   GLN  13           HG2      GLN  13  -5.918  -7.385   0.797
  116   2HG   GLN  13           HG1      GLN  13  -6.977  -6.892  -0.521
  117   1HE2  GLN  13          1HE2      GLN  13  -5.098  -7.694  -2.614
  118   2HE2  GLN  13          2HE2      GLN  13  -5.112  -9.426  -2.640
  119    H    CYS  14           HN       CYS  14  -2.442  -4.626   0.784
  120    HA   CYS  14           HA       CYS  14  -1.632  -3.247  -1.658
  121   1HB   CYS  14           HB2      CYS  14  -1.555  -2.314   1.214
  122   2HB   CYS  14           HB1      CYS  14  -1.233  -1.321  -0.205
  123    H    LEU  15           HN       LEU  15  -0.251  -4.559   1.323
  124    HA   LEU  15           HA       LEU  15   2.224  -3.229   0.873
  125   1HB   LEU  15           HB2      LEU  15   1.006  -4.041   3.063
  126   2HB   LEU  15           HB1      LEU  15   2.045  -5.437   2.840
  127    HG   LEU  15           HG       LEU  15   3.065  -2.605   2.929
  128   1HD1  LEU  15          3HD1      LEU  15   2.851  -4.600   5.190
  129   2HD1  LEU  15          2HD1      LEU  15   3.687  -3.049   5.265
  130   3HD1  LEU  15          1HD1      LEU  15   1.938  -3.099   5.040
  131   1HD2  LEU  15          1HD2      LEU  15   4.569  -4.212   1.909
  132   2HD2  LEU  15          3HD2      LEU  15   5.191  -3.652   3.458
  133   3HD2  LEU  15          2HD2      LEU  15   4.447  -5.248   3.332
  134    H    LYS  16           HN       LYS  16   1.036  -6.439   0.059
  135    HA   LYS  16           HA       LYS  16   3.568  -7.544  -0.462
  136   1HB   LYS  16           HB2      LYS  16   1.886  -9.144  -0.533
  137   2HB   LYS  16           HB1      LYS  16   0.840  -8.159  -1.536
  138   1HG   LYS  16           HG2      LYS  16   1.752 -10.106  -2.732
  139   2HG   LYS  16           HG1      LYS  16   2.216  -8.574  -3.471
  140   1HD   LYS  16           HD2      LYS  16   4.401  -8.738  -2.254
  141   2HD   LYS  16           HD1      LYS  16   3.925 -10.355  -1.731
  142   1HE   LYS  16           HE2      LYS  16   3.822 -11.123  -4.007
  143   2HE   LYS  16           HE1      LYS  16   4.095  -9.493  -4.616
  144   1HZ   LYS  16           HZ3      LYS  16   6.064 -10.969  -2.953
  145   2HZ   LYS  16           HZ2      LYS  16   6.076 -10.978  -4.649
  146   3HZ   LYS  16           HZ1      LYS  16   6.313  -9.527  -3.808
  147    HA   PRO  17           HA       PRO  17   3.323  -5.498  -4.896
  148   1HB   PRO  17           HB2      PRO  17   1.278  -3.416  -4.361
  149   2HB   PRO  17           HB1      PRO  17   1.579  -4.344  -5.834
  150   1HG   PRO  17           HG2      PRO  17  -0.525  -4.859  -4.273
  151   2HG   PRO  17           HG1      PRO  17   0.354  -6.156  -5.102
  152   1HD   PRO  17           HD2      PRO  17   0.429  -5.347  -2.231
  153   2HD   PRO  17           HD1      PRO  17   0.533  -6.956  -2.961
  154    H    CYS  18           HN       CYS  18   2.587  -3.753  -1.906
  155    HA   CYS  18           HA       CYS  18   3.921  -1.372  -2.588
  156   1HB   CYS  18           HB2      CYS  18   2.850  -2.570  -0.077
  157   2HB   CYS  18           HB1      CYS  18   3.894  -1.168   0.066
  158    H    LYS  19           HN       LYS  19   5.054  -3.890  -0.252
  159    HA   LYS  19           HA       LYS  19   7.668  -2.831  -0.130
  160   1HB   LYS  19           HB2      LYS  19   6.300  -5.224   0.824
  161   2HB   LYS  19           HB1      LYS  19   7.960  -5.554   0.350
  162   1HG   LYS  19           HG2      LYS  19   8.706  -3.719   1.819
  163   2HG   LYS  19           HG1      LYS  19   7.036  -3.501   2.343
  164   1HD   LYS  19           HD2      LYS  19   6.983  -5.739   3.248
  165   2HD   LYS  19           HD1      LYS  19   8.599  -6.067   2.616
  166   1HE   LYS  19           HE2      LYS  19   8.792  -5.582   4.948
  167   2HE   LYS  19           HE1      LYS  19   9.464  -4.229   4.042
  168   1HZ   LYS  19           HZ3      LYS  19   7.331  -3.068   4.373
  169   2HZ   LYS  19           HZ2      LYS  19   6.800  -4.341   5.353
  170   3HZ   LYS  19           HZ1      LYS  19   8.132  -3.403   5.827
  171    H    ASP  20           HN       ASP  20   6.137  -5.062  -2.337
  172    HA   ASP  20           HA       ASP  20   8.436  -6.166  -3.524
  173   1HB   ASP  20           HB2      ASP  20   6.104  -7.037  -3.764
  174   2HB   ASP  20           HB1      ASP  20   5.753  -5.679  -4.828
  175    H    ALA  21           HN       ALA  21   6.535  -3.280  -4.289
  176    HA   ALA  21           HA       ALA  21   8.249  -2.577  -6.509
  177   1HB   ALA  21           HB1      ALA  21   5.865  -2.044  -6.571
  178   2HB   ALA  21           HB2      ALA  21   6.855  -0.592  -6.700
  179   3HB   ALA  21           HB3      ALA  21   6.064  -0.986  -5.174
  180    H    GLY  22           HN       GLY  22   7.995  -1.879  -3.126
  181   1HA   GLY  22           HA1      GLY  22  10.220   0.053  -3.382
  182   2HA   GLY  22           HA2      GLY  22  10.199  -1.198  -2.143
  183    H    MET  23           HN       MET  23   8.033  -1.175  -0.876
  184    HA   MET  23           HA       MET  23   7.843   1.537   0.212
  185   1HB   MET  23           HB2      MET  23   5.475  -0.330   0.031
  186   2HB   MET  23           HB1      MET  23   5.478   1.353   0.546
  187   1HG   MET  23           HG2      MET  23   6.254   0.496  -2.207
  188   2HG   MET  23           HG1      MET  23   4.585   0.863  -1.761
  189   1HE   MET  23           HE3      MET  23   6.307   2.201  -4.120
  190   2HE   MET  23           HE2      MET  23   4.613   2.577  -3.809
  191   3HE   MET  23           HE1      MET  23   5.789   3.881  -3.973
  192    H    ARG  24           HN       ARG  24   8.913   1.276   2.033
  193    HA   ARG  24           HA       ARG  24   9.230  -1.126   3.430
  194   1HB   ARG  24           HB2      ARG  24  10.884   0.119   4.244
  195   2HB   ARG  24           HB1      ARG  24  10.194   1.535   3.469
  196   1HG   ARG  24           HG2      ARG  24   8.773   1.850   5.509
  197   2HG   ARG  24           HG1      ARG  24   9.693   0.550   6.274
  198   1HD   ARG  24           HD2      ARG  24  10.531   2.806   6.859
  199   2HD   ARG  24           HD1      ARG  24  11.739   1.809   6.050
  200    HE   ARG  24           HE       ARG  24  11.123   3.069   3.973
  201   1HH1  ARG  24          1HH1      ARG  24  10.773   4.495   7.160
  202   2HH1  ARG  24          2HH1      ARG  24  10.809   6.130   6.567
  203   1HH2  ARG  24          1HH2      ARG  24  11.132   5.211   3.191
  204   2HH2  ARG  24          2HH2      ARG  24  10.964   6.536   4.310
  205    H    PHE  25           HN       PHE  25   6.832   1.416   3.654
  206    HA   PHE  25           HA       PHE  25   5.484  -0.187   5.735
  207   1HB   PHE  25           HB2      PHE  25   5.303   2.786   5.227
  208   2HB   PHE  25           HB1      PHE  25   4.192   1.907   6.275
  209    HD1  PHE  25           HD1      PHE  25   5.440   0.407   8.092
  210    HD2  PHE  25           HD2      PHE  25   7.078   3.848   6.197
  211    HE1  PHE  25           HE1      PHE  25   6.999   0.696   9.973
  212    HE2  PHE  25           HE2      PHE  25   8.642   4.138   8.071
  213    HZ   PHE  25           HZ       PHE  25   8.598   2.573   9.969
  214    H    GLY  26           HN       GLY  26   3.203  -0.423   5.541
  215   1HA   GLY  26           HA1      GLY  26   2.159  -1.259   3.218
  216   2HA   GLY  26           HA2      GLY  26   1.915   0.477   3.105
  217    H    LYS  27           HN       LYS  27   0.106   1.269   3.931
  218    HA   LYS  27           HA       LYS  27  -1.399  -0.457   5.765
  219   1HB   LYS  27           HB2      LYS  27  -0.429   2.249   6.229
  220   2HB   LYS  27           HB1      LYS  27  -2.160   2.092   6.501
  221   1HG   LYS  27           HG2      LYS  27  -0.005   0.425   7.781
  222   2HG   LYS  27           HG1      LYS  27  -0.922   1.718   8.554
  223   1HD   LYS  27           HD2      LYS  27  -2.995   0.447   8.196
  224   2HD   LYS  27           HD1      LYS  27  -2.060  -0.846   7.449
  225   1HE   LYS  27           HE2      LYS  27  -2.571  -1.412   9.747
  226   2HE   LYS  27           HE1      LYS  27  -0.836  -1.157   9.560
  227   1HZ   LYS  27           HZ1      LYS  27  -2.680   0.947  10.538
  228   2HZ   LYS  27           HZ3      LYS  27  -1.888  -0.135  11.573
  229   3HZ   LYS  27           HZ2      LYS  27  -0.984   0.933  10.615
  230    H    CYS  28           HN       CYS  28  -3.488  -0.746   5.313
  231    HA   CYS  28           HA       CYS  28  -4.665   0.444   2.982
  232   1HB   CYS  28           HB2      CYS  28  -5.348  -1.785   3.452
  233   2HB   CYS  28           HB1      CYS  28  -5.709  -1.407   5.133
  234    H    MET  29           HN       MET  29  -6.060   2.161   2.872
  235    HA   MET  29           HA       MET  29  -6.907   3.351   5.422
  236   1HB   MET  29           HB2      MET  29  -5.461   4.798   3.205
  237   2HB   MET  29           HB1      MET  29  -6.319   5.613   4.506
  238   1HG   MET  29           HG2      MET  29  -3.996   3.728   4.851
  239   2HG   MET  29           HG1      MET  29  -3.912   5.489   4.909
  240   1HE   MET  29           HE3      MET  29  -2.631   5.083   7.269
  241   2HE   MET  29           HE2      MET  29  -3.375   4.261   8.642
  242   3HE   MET  29           HE1      MET  29  -2.924   3.346   7.202
  243    H    ASN  30           HN       ASN  30  -8.874   2.370   4.787
  244    HA   ASN  30           HA       ASN  30 -11.046   2.548   4.317
  245   1HB   ASN  30           HB2      ASN  30 -12.076   4.658   4.259
  246   2HB   ASN  30           HB1      ASN  30 -10.633   4.868   5.230
  247   1HD2  ASN  30          1HD2      ASN  30 -10.326   6.988   4.967
  248   2HD2  ASN  30          2HD2      ASN  30 -10.021   7.766   3.448
  249    H    GLY  31           HN       GLY  31  -8.845   2.722   1.897
  250   1HA   GLY  31           HA1      GLY  31 -10.496   3.386  -0.317
  251   2HA   GLY  31           HA2      GLY  31 -10.458   1.645  -0.066
  252    H    LYS  32           HN       LYS  32  -8.054   4.267   0.121
  253    HA   LYS  32           HA       LYS  32  -6.526   3.019  -2.020
  254   1HB   LYS  32           HB2      LYS  32  -6.338   5.649  -0.590
  255   2HB   LYS  32           HB1      LYS  32  -4.959   5.041  -1.493
  256   1HG   LYS  32           HG2      LYS  32  -5.953   6.351  -3.069
  257   2HG   LYS  32           HG1      LYS  32  -6.722   4.803  -3.418
  258   1HD   LYS  32           HD2      LYS  32  -8.698   5.443  -2.244
  259   2HD   LYS  32           HD1      LYS  32  -7.922   6.902  -1.622
  260   1HE   LYS  32           HE2      LYS  32  -8.551   6.301  -4.511
  261   2HE   LYS  32           HE1      LYS  32  -9.408   7.441  -3.477
  262   1HZ   LYS  32           HZ3      LYS  32  -7.324   8.712  -3.270
  263   2HZ   LYS  32           HZ2      LYS  32  -6.575   7.650  -4.353
  264   3HZ   LYS  32           HZ1      LYS  32  -7.863   8.614  -4.879
  265    H    CYS  33           HN       CYS  33  -4.224   2.684  -1.794
  266    HA   CYS  33           HA       CYS  33  -3.534   1.620   0.839
  267   1HB   CYS  33           HB2      CYS  33  -2.057   1.341  -1.786
  268   2HB   CYS  33           HB1      CYS  33  -1.737   0.453  -0.299
  269    H    HIS  34           HN       HIS  34  -2.463   2.907   2.169
  270    HA   HIS  34           HA       HIS  34  -0.829   5.073   1.060
  271   1HB   HIS  34           HB2      HIS  34  -2.060   4.587   3.759
  272   2HB   HIS  34           HB1      HIS  34  -0.736   5.733   3.576
  273    HD1  HIS  34           HD1      HIS  34  -1.868   7.940   3.805
  274    HD2  HIS  34           HD2      HIS  34  -3.884   5.395   1.204
  275    HE1  HIS  34           HE1      HIS  34  -3.700   9.326   2.780
  276    HE2  HIS  34           HE2      HIS  34  -4.813   7.809   1.102
  277    H    CYS  35           HN       CYS  35   1.027   4.052   0.456
  278    HA   CYS  35           HA       CYS  35   2.436   2.550   2.540
  279   1HB   CYS  35           HB2      CYS  35   2.545   2.303  -0.463
  280   2HB   CYS  35           HB1      CYS  35   3.674   1.495   0.619
  281    H    THR  36           HN       THR  36   4.211   3.374   3.323
  282    HA   THR  36           HA       THR  36   5.484   5.666   2.084
  283    HB   THR  36           HB       THR  36   6.238   4.183   4.619
  284    HG1  THR  36           HG1      THR  36   4.121   5.085   4.741
  285   1HG2  THR  36          1HG2      THR  36   6.962   6.951   3.645
  286   2HG2  THR  36          3HG2      THR  36   7.398   6.269   5.212
  287   3HG2  THR  36          2HG2      THR  36   8.053   5.565   3.730
  288    HA   PRO  37           HA       PRO  37   8.042   3.154  -0.465
  289   1HB   PRO  37           HB2      PRO  37   9.937   5.442  -0.231
  290   2HB   PRO  37           HB1      PRO  37   9.284   4.656  -1.676
  291   1HG   PRO  37           HG2      PRO  37   8.362   7.024  -0.924
  292   2HG   PRO  37           HG1      PRO  37   7.247   5.778  -1.523
  293   1HD   PRO  37           HD2      PRO  37   7.787   6.643   1.293
  294   2HD   PRO  37           HD1      PRO  37   6.242   6.234   0.515
  295    H    LYS  38           HN       LYS  38   9.914   1.949  -0.481
  296    HA   LYS  38           HA       LYS  38  10.777   0.961   1.929
  297   1HB   LYS  38           HB2      LYS  38  11.018  -0.216  -0.219
  298   2HB   LYS  38           HB1      LYS  38  12.307   0.893  -0.679
  299   1HG   LYS  38           HG2      LYS  38  13.298  -1.136   0.076
  300   2HG   LYS  38           HG1      LYS  38  13.583   0.094   1.315
  301   1HD   LYS  38           HD2      LYS  38  11.691  -0.766   2.604
  302   2HD   LYS  38           HD1      LYS  38  11.397  -1.982   1.360
  303   1HE   LYS  38           HE2      LYS  38  12.603  -2.965   3.223
  304   2HE   LYS  38           HE1      LYS  38  13.623  -2.931   1.787
  305   1HZ   LYS  38           HZ1      LYS  38  13.744  -0.869   3.917
  306   2HZ   LYS  38           HZ3      LYS  38  14.734  -2.247   3.890
  307   3HZ   LYS  38           HZ2      LYS  38  14.838  -1.106   2.641

  No H/Q in entry =         307
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1   3.716  10.595  -0.317
    2    H2   GLY   1           HT3      GLY   1   4.946  10.127   0.755
    3    H3   GLY   1           HT2      GLY   1   5.146   9.905  -0.915
    4   1HA   GLY   1           HA2      GLY   1   3.164   8.523   0.811
    5   2HA   GLY   1           HA1      GLY   1   4.633   7.812   0.155
    6    H    VAL   2           HN       VAL   2   4.137   6.443  -1.426
    7    HA   VAL   2           HA       VAL   2   2.687   7.400  -3.722
    8    HB   VAL   2           HB       VAL   2   3.825   4.652  -3.173
    9   1HG1  VAL   2          3HG1      VAL   2   2.072   4.605  -4.867
   10   2HG1  VAL   2          2HG1      VAL   2   2.868   5.908  -5.749
   11   3HG1  VAL   2          1HG1      VAL   2   3.651   4.334  -5.601
   12   1HG2  VAL   2          1HG2      VAL   2   4.969   6.976  -4.723
   13   2HG2  VAL   2          3HG2      VAL   2   5.555   6.362  -3.178
   14   3HG2  VAL   2          2HG2      VAL   2   5.675   5.363  -4.625
   15    H    ILE   3           HN       ILE   3   0.563   7.622  -3.338
   16    HA   ILE   3           HA       ILE   3  -0.909   5.520  -2.004
   17    HB   ILE   3           HB       ILE   3  -1.413   7.794  -1.356
   18   1HG1  ILE   3          2HG1      ILE   3  -3.854   7.825  -1.831
   19   2HG1  ILE   3          1HG1      ILE   3  -3.608   6.508  -2.970
   20   1HG2  ILE   3          1HG2      ILE   3  -2.036   8.253  -4.264
   21   2HG2  ILE   3          3HG2      ILE   3  -2.519   9.348  -2.971
   22   3HG2  ILE   3          2HG2      ILE   3  -0.810   9.057  -3.284
   23   1HD1  ILE   3          2HD1      ILE   3  -2.761   5.107  -1.163
   24   2HD1  ILE   3          1HD1      ILE   3  -3.023   6.428  -0.023
   25   3HD1  ILE   3          3HD1      ILE   3  -4.397   5.681  -0.834
   26    H    ILE   4           HN       ILE   4  -1.788   3.901  -3.126
   27    HA   ILE   4           HA       ILE   4  -2.230   4.300  -5.995
   28    HB   ILE   4           HB       ILE   4  -2.289   1.859  -6.210
   29   1HG1  ILE   4          2HG1      ILE   4  -1.670   1.871  -3.246
   30   2HG1  ILE   4          1HG1      ILE   4  -3.120   1.225  -4.011
   31   1HG2  ILE   4          2HG2      ILE   4  -0.205   3.050  -6.511
   32   2HG2  ILE   4          1HG2      ILE   4   0.133   2.937  -4.784
   33   3HG2  ILE   4          3HG2      ILE   4   0.095   1.476  -5.772
   34   1HD1  ILE   4          2HD1      ILE   4  -1.753  -0.467  -5.139
   35   2HD1  ILE   4          1HD1      ILE   4  -0.316   0.170  -4.338
   36   3HD1  ILE   4          3HD1      ILE   4  -1.607  -0.559  -3.382
   37    H    ASN   5           HN       ASN   5  -4.165   4.065  -6.931
   38    HA   ASN   5           HA       ASN   5  -6.446   4.343  -5.202
   39   1HB   ASN   5           HB2      ASN   5  -6.242   4.307  -8.218
   40   2HB   ASN   5           HB1      ASN   5  -7.680   4.748  -7.301
   41   1HD2  ASN   5          1HD2      ASN   5  -7.761   6.705  -6.249
   42   2HD2  ASN   5          2HD2      ASN   5  -6.605   7.966  -6.528
   43    H    VAL   6           HN       VAL   6  -5.907   2.078  -4.421
   44    HA   VAL   6           HA       VAL   6  -7.577   0.147  -5.900
   45    HB   VAL   6           HB       VAL   6  -5.140  -0.461  -4.201
   46   1HG1  VAL   6          1HG1      VAL   6  -6.941  -2.312  -5.763
   47   2HG1  VAL   6          3HG1      VAL   6  -5.450  -2.778  -4.947
   48   3HG1  VAL   6          2HG1      VAL   6  -6.824  -2.202  -4.007
   49   1HG2  VAL   6          3HG2      VAL   6  -5.536  -0.675  -7.182
   50   2HG2  VAL   6          2HG2      VAL   6  -4.506   0.486  -6.344
   51   3HG2  VAL   6          1HG2      VAL   6  -4.118  -1.234  -6.293
   52    H    LYS   7           HN       LYS   7  -9.278  -0.635  -4.730
   53    HA   LYS   7           HA       LYS   7  -9.740   0.333  -2.083
   54   1HB   LYS   7           HB2      LYS   7 -11.466  -0.376  -3.933
   55   2HB   LYS   7           HB1      LYS   7 -11.267  -1.979  -3.245
   56   1HG   LYS   7           HG2      LYS   7 -12.108   0.446  -1.661
   57   2HG   LYS   7           HG1      LYS   7 -13.229  -0.705  -2.383
   58   1HD   LYS   7           HD2      LYS   7 -13.103  -1.842  -0.465
   59   2HD   LYS   7           HD1      LYS   7 -11.469  -2.299  -0.947
   60   1HE   LYS   7           HE2      LYS   7 -11.316  -1.422   1.253
   61   2HE   LYS   7           HE1      LYS   7 -10.662  -0.196   0.170
   62   1HZ   LYS   7           HZ2      LYS   7 -12.789   0.978   0.291
   63   2HZ   LYS   7           HZ1      LYS   7 -13.390  -0.199   1.358
   64   3HZ   LYS   7           HZ3      LYS   7 -12.096   0.792   1.831
   65    H    CYS   8           HN       CYS   8  -8.591  -0.348  -0.479
   66    HA   CYS   8           HA       CYS   8  -7.234  -2.865  -0.455
   67   1HB   CYS   8           HB2      CYS   8  -6.433  -2.008   1.765
   68   2HB   CYS   8           HB1      CYS   8  -6.116  -0.947   0.396
   69    H    LYS   9           HN       LYS   9  -8.888  -4.485  -0.356
   70    HA   LYS   9           HA       LYS   9 -10.746  -4.578   1.823
   71   1HB   LYS   9           HB2      LYS   9  -9.779  -6.624  -0.164
   72   2HB   LYS   9           HB1      LYS   9 -10.783  -7.105   1.193
   73   1HG   LYS   9           HG2      LYS   9 -12.229  -6.806  -0.651
   74   2HG   LYS   9           HG1      LYS   9 -12.476  -5.418   0.409
   75   1HD   LYS   9           HD2      LYS   9 -12.390  -4.582  -1.809
   76   2HD   LYS   9           HD1      LYS   9 -10.858  -4.155  -1.047
   77   1HE   LYS   9           HE2      LYS   9 -10.389  -4.941  -3.252
   78   2HE   LYS   9           HE1      LYS   9  -9.850  -6.175  -2.113
   79   1HZ   LYS   9           HZ2      LYS   9 -12.441  -6.244  -3.571
   80   2HZ   LYS   9           HZ1      LYS   9 -11.046  -7.084  -4.043
   81   3HZ   LYS   9           HZ3      LYS   9 -11.805  -7.467  -2.575
   82    H    ILE  10           HN       ILE  10  -7.505  -4.875   1.601
   83    HA   ILE  10           HA       ILE  10  -7.033  -5.707   4.281
   84    HB   ILE  10           HB       ILE  10  -5.407  -7.579   3.525
   85   1HG1  ILE  10          2HG1      ILE  10  -7.357  -7.697   1.217
   86   2HG1  ILE  10          1HG1      ILE  10  -5.683  -7.165   1.102
   87   1HG2  ILE  10          3HG2      ILE  10  -8.369  -8.114   3.538
   88   2HG2  ILE  10          2HG2      ILE  10  -7.107  -9.323   3.765
   89   3HG2  ILE  10          1HG2      ILE  10  -7.308  -8.028   4.945
   90   1HD1  ILE  10          3HD1      ILE  10  -4.935  -9.389   1.783
   91   2HD1  ILE  10          2HD1      ILE  10  -6.615  -9.919   1.880
   92   3HD1  ILE  10          1HD1      ILE  10  -5.928  -9.445   0.326
   93    H    SER  11           HN       SER  11  -4.922  -5.088   4.888
   94    HA   SER  11           HA       SER  11  -3.617  -3.269   3.130
   95   1HB   SER  11           HB2      SER  11  -2.659  -4.454   5.747
   96   2HB   SER  11           HB1      SER  11  -1.919  -3.088   4.916
   97    HG   SER  11           HG       SER  11  -3.862  -3.006   6.661
   98    H    ARG  12           HN       ARG  12  -3.308  -6.658   3.764
   99    HA   ARG  12           HA       ARG  12  -0.647  -7.034   2.931
  100   1HB   ARG  12           HB2      ARG  12  -3.014  -8.890   2.949
  101   2HB   ARG  12           HB1      ARG  12  -1.406  -9.409   2.461
  102   1HG   ARG  12           HG2      ARG  12  -0.539  -8.796   4.658
  103   2HG   ARG  12           HG1      ARG  12  -2.148  -8.262   5.145
  104   1HD   ARG  12           HD2      ARG  12  -1.715 -10.477   6.011
  105   2HD   ARG  12           HD1      ARG  12  -2.993 -10.538   4.797
  106    HE   ARG  12           HE       ARG  12  -0.902 -11.143   3.295
  107   1HH1  ARG  12          1HH1      ARG  12  -1.656 -12.241   6.531
  108   2HH1  ARG  12          2HH1      ARG  12  -0.986 -13.826   6.291
  109   1HH2  ARG  12          1HH2      ARG  12   0.052 -13.197   2.995
  110   2HH2  ARG  12          2HH2      ARG  12   0.021 -14.362   4.288
  111    H    GLN  13           HN       GLN  13  -3.634  -6.760   1.083
  112    HA   GLN  13           HA       GLN  13  -2.527  -7.784  -1.343
  113   1HB   GLN  13           HB2      GLN  13  -4.534  -7.099  -2.413
  114   2HB   GLN  13           HB1      GLN  13  -5.000  -7.624  -0.803
  115   1HG   GLN  13           HG2      GLN  13  -5.236  -5.386  -0.061
  116   2HG   GLN  13           HG1      GLN  13  -4.554  -4.763  -1.559
  117   1HE2  GLN  13          1HE2      GLN  13  -5.806  -4.739  -3.412
  118   2HE2  GLN  13          2HE2      GLN  13  -7.520  -4.954  -3.380
  119    H    CYS  14           HN       CYS  14  -2.353  -4.816   0.308
  120    HA   CYS  14           HA       CYS  14  -1.556  -3.312  -2.062
  121   1HB   CYS  14           HB2      CYS  14  -1.648  -2.327   0.789
  122   2HB   CYS  14           HB1      CYS  14  -1.686  -1.369  -0.687
  123    H    LEU  15           HN       LEU  15  -0.284  -4.550   0.982
  124    HA   LEU  15           HA       LEU  15   2.175  -3.116   0.744
  125   1HB   LEU  15           HB2      LEU  15   0.855  -4.040   2.849
  126   2HB   LEU  15           HB1      LEU  15   1.913  -5.419   2.596
  127    HG   LEU  15           HG       LEU  15   2.956  -2.617   2.821
  128   1HD1  LEU  15          3HD1      LEU  15   2.597  -4.657   5.024
  129   2HD1  LEU  15          2HD1      LEU  15   3.459  -3.126   5.175
  130   3HD1  LEU  15          1HD1      LEU  15   1.723  -3.133   4.870
  131   1HD2  LEU  15          3HD2      LEU  15   4.221  -5.325   3.122
  132   2HD2  LEU  15          2HD2      LEU  15   4.493  -4.147   1.836
  133   3HD2  LEU  15          1HD2      LEU  15   5.019  -3.792   3.481
  134    H    LYS  16           HN       LYS  16   1.161  -6.450   0.136
  135    HA   LYS  16           HA       LYS  16   3.624  -7.644  -0.134
  136   1HB   LYS  16           HB2      LYS  16   1.709  -9.025  -0.236
  137   2HB   LYS  16           HB1      LYS  16   1.051  -8.166  -1.611
  138   1HG   LYS  16           HG2      LYS  16   1.899 -10.333  -2.264
  139   2HG   LYS  16           HG1      LYS  16   2.831  -9.044  -3.023
  140   1HD   LYS  16           HD2      LYS  16   4.596  -9.321  -1.368
  141   2HD   LYS  16           HD1      LYS  16   3.645 -10.561  -0.545
  142   1HE   LYS  16           HE2      LYS  16   5.356 -11.570  -1.943
  143   2HE   LYS  16           HE1      LYS  16   3.747 -11.962  -2.544
  144   1HZ   LYS  16           HZ3      LYS  16   5.505  -9.835  -3.638
  145   2HZ   LYS  16           HZ2      LYS  16   5.287 -11.366  -4.322
  146   3HZ   LYS  16           HZ1      LYS  16   3.985 -10.281  -4.242
  147    HA   PRO  17           HA       PRO  17   4.084  -6.160  -4.657
  148   1HB   PRO  17           HB2      PRO  17   2.161  -4.029  -5.131
  149   2HB   PRO  17           HB1      PRO  17   2.429  -5.508  -6.054
  150   1HG   PRO  17           HG2      PRO  17   0.194  -5.070  -4.581
  151   2HG   PRO  17           HG1      PRO  17   0.866  -6.688  -4.860
  152   1HD   PRO  17           HD2      PRO  17   1.119  -4.916  -2.459
  153   2HD   PRO  17           HD1      PRO  17   0.840  -6.664  -2.544
  154    H    CYS  18           HN       CYS  18   3.310  -3.978  -2.027
  155    HA   CYS  18           HA       CYS  18   4.744  -1.795  -3.260
  156   1HB   CYS  18           HB2      CYS  18   3.249  -2.102  -0.677
  157   2HB   CYS  18           HB1      CYS  18   4.298  -0.711  -0.949
  158    H    LYS  19           HN       LYS  19   5.250  -3.816  -0.319
  159    HA   LYS  19           HA       LYS  19   7.701  -2.545   0.311
  160   1HB   LYS  19           HB2      LYS  19   6.334  -3.958   1.898
  161   2HB   LYS  19           HB1      LYS  19   6.957  -5.377   1.063
  162   1HG   LYS  19           HG2      LYS  19   9.257  -4.639   1.626
  163   2HG   LYS  19           HG1      LYS  19   8.563  -3.315   2.559
  164   1HD   LYS  19           HD2      LYS  19   8.071  -6.249   3.079
  165   2HD   LYS  19           HD1      LYS  19   9.225  -5.248   3.956
  166   1HE   LYS  19           HE2      LYS  19   6.242  -4.828   3.848
  167   2HE   LYS  19           HE1      LYS  19   7.134  -5.523   5.196
  168   1HZ   LYS  19           HZ2      LYS  19   7.472  -2.760   4.166
  169   2HZ   LYS  19           HZ1      LYS  19   6.607  -3.185   5.558
  170   3HZ   LYS  19           HZ3      LYS  19   8.286  -3.429   5.493
  171    H    ASP  20           HN       ASP  20   6.893  -5.351  -1.672
  172    HA   ASP  20           HA       ASP  20   9.529  -6.226  -2.148
  173   1HB   ASP  20           HB2      ASP  20   7.525  -7.554  -2.744
  174   2HB   ASP  20           HB1      ASP  20   7.154  -6.397  -4.021
  175    H    ALA  21           HN       ALA  21   7.543  -3.756  -3.662
  176    HA   ALA  21           HA       ALA  21   9.516  -3.153  -5.684
  177   1HB   ALA  21           HB2      ALA  21   7.140  -2.959  -6.205
  178   2HB   ALA  21           HB3      ALA  21   7.960  -1.408  -6.384
  179   3HB   ALA  21           HB1      ALA  21   6.962  -1.719  -4.963
  180    H    GLY  22           HN       GLY  22   9.417  -2.563  -2.484
  181   1HA   GLY  22           HA1      GLY  22  11.140  -0.209  -2.769
  182   2HA   GLY  22           HA2      GLY  22  11.034  -1.248  -1.351
  183    H    MET  23           HN       MET  23   8.575  -1.283  -0.579
  184    HA   MET  23           HA       MET  23   8.167   1.501   0.213
  185   1HB   MET  23           HB2      MET  23   5.938  -0.497  -0.220
  186   2HB   MET  23           HB1      MET  23   5.760   1.174   0.296
  187   1HG   MET  23           HG2      MET  23   7.031   0.449  -2.300
  188   2HG   MET  23           HG1      MET  23   5.284   0.621  -2.142
  189   1HE   MET  23           HE3      MET  23   7.259   2.245  -4.148
  190   2HE   MET  23           HE2      MET  23   5.501   2.410  -4.155
  191   3HE   MET  23           HE1      MET  23   6.522   3.846  -4.067
  192    H    ARG  24           HN       ARG  24   8.857   1.549   2.181
  193    HA   ARG  24           HA       ARG  24   9.115  -0.603   3.944
  194   1HB   ARG  24           HB2      ARG  24  10.525   0.997   4.618
  195   2HB   ARG  24           HB1      ARG  24   9.576   2.265   3.869
  196   1HG   ARG  24           HG2      ARG  24   9.645   2.816   6.137
  197   2HG   ARG  24           HG1      ARG  24   8.055   2.080   5.919
  198   1HD   ARG  24           HD2      ARG  24   8.773   0.042   6.889
  199   2HD   ARG  24           HD1      ARG  24  10.464   0.541   6.852
  200    HE   ARG  24           HE       ARG  24   8.712   2.216   8.432
  201   1HH1  ARG  24          1HH1      ARG  24  10.958  -0.461   8.376
  202   2HH1  ARG  24          2HH1      ARG  24  11.277  -0.408  10.085
  203   1HH2  ARG  24          1HH2      ARG  24   9.156   2.332  10.678
  204   2HH2  ARG  24          2HH2      ARG  24  10.239   1.172  11.400
  205    H    PHE  25           HN       PHE  25   6.492   1.671   3.406
  206    HA   PHE  25           HA       PHE  25   4.916   0.151   5.384
  207   1HB   PHE  25           HB2      PHE  25   4.783   3.077   4.694
  208   2HB   PHE  25           HB1      PHE  25   3.442   2.247   5.468
  209    HD1  PHE  25           HD1      PHE  25   4.154   0.841   7.605
  210    HD2  PHE  25           HD2      PHE  25   6.282   4.170   6.032
  211    HE1  PHE  25           HE1      PHE  25   5.173   1.223   9.812
  212    HE2  PHE  25           HE2      PHE  25   7.308   4.559   8.232
  213    HZ   PHE  25           HZ       PHE  25   6.756   3.083  10.125
  214    H    GLY  26           HN       GLY  26   2.800  -0.379   4.859
  215   1HA   GLY  26           HA1      GLY  26   2.101  -1.287   2.418
  216   2HA   GLY  26           HA2      GLY  26   1.652   0.412   2.317
  217    H    LYS  27           HN       LYS  27   0.090   1.219   3.844
  218    HA   LYS  27           HA       LYS  27  -1.377  -0.865   5.306
  219   1HB   LYS  27           HB2      LYS  27  -0.185   0.665   6.806
  220   2HB   LYS  27           HB1      LYS  27  -0.954   2.042   6.031
  221   1HG   LYS  27           HG2      LYS  27  -3.160   1.115   6.782
  222   2HG   LYS  27           HG1      LYS  27  -2.257  -0.075   7.724
  223   1HD   LYS  27           HD2      LYS  27  -1.164   1.717   8.962
  224   2HD   LYS  27           HD1      LYS  27  -2.021   2.923   8.000
  225   1HE   LYS  27           HE2      LYS  27  -3.139   2.686  10.108
  226   2HE   LYS  27           HE1      LYS  27  -4.164   1.991   8.853
  227   1HZ   LYS  27           HZ2      LYS  27  -2.353   0.401  10.586
  228   2HZ   LYS  27           HZ1      LYS  27  -4.000   0.638  10.904
  229   3HZ   LYS  27           HZ3      LYS  27  -3.519  -0.196   9.509
  230    H    CYS  28           HN       CYS  28  -3.493  -1.040   4.948
  231    HA   CYS  28           HA       CYS  28  -4.793   0.567   2.984
  232   1HB   CYS  28           HB2      CYS  28  -5.580  -1.643   3.142
  233   2HB   CYS  28           HB1      CYS  28  -5.710  -1.564   4.891
  234    H    MET  29           HN       MET  29  -5.854   2.430   3.257
  235    HA   MET  29           HA       MET  29  -6.631   3.177   5.994
  236   1HB   MET  29           HB2      MET  29  -5.410   4.968   3.884
  237   2HB   MET  29           HB1      MET  29  -6.109   5.544   5.391
  238   1HG   MET  29           HG2      MET  29  -4.444   4.114   6.602
  239   2HG   MET  29           HG1      MET  29  -3.685   3.798   5.045
  240   1HE   MET  29           HE2      MET  29  -1.376   4.678   6.010
  241   2HE   MET  29           HE1      MET  29  -1.172   6.254   6.773
  242   3HE   MET  29           HE3      MET  29  -2.143   5.011   7.564
  243    H    ASN  30           HN       ASN  30  -8.678   2.380   5.553
  244    HA   ASN  30           HA       ASN  30 -10.888   2.703   5.245
  245   1HB   ASN  30           HB2      ASN  30 -10.054   5.397   4.171
  246   2HB   ASN  30           HB1      ASN  30 -11.732   4.895   4.363
  247   1HD2  ASN  30          1HD2      ASN  30 -12.548   4.563   6.453
  248   2HD2  ASN  30          2HD2      ASN  30 -11.792   5.264   7.844
  249    H    GLY  31           HN       GLY  31  -9.446   4.225   2.347
  250   1HA   GLY  31           HA1      GLY  31 -10.925   3.970   0.330
  251   2HA   GLY  31           HA2      GLY  31 -11.011   2.275   0.773
  252    H    LYS  32           HN       LYS  32  -7.988   3.886   1.203
  253    HA   LYS  32           HA       LYS  32  -7.062   2.838  -1.387
  254   1HB   LYS  32           HB2      LYS  32  -6.389   5.436  -0.023
  255   2HB   LYS  32           HB1      LYS  32  -5.484   4.801  -1.396
  256   1HG   LYS  32           HG2      LYS  32  -7.257   5.133  -2.861
  257   2HG   LYS  32           HG1      LYS  32  -8.453   5.187  -1.564
  258   1HD   LYS  32           HD2      LYS  32  -6.337   7.278  -2.070
  259   2HD   LYS  32           HD1      LYS  32  -8.030   7.408  -2.551
  260   1HE   LYS  32           HE2      LYS  32  -8.682   7.187  -0.173
  261   2HE   LYS  32           HE1      LYS  32  -6.976   7.176   0.269
  262   1HZ   LYS  32           HZ3      LYS  32  -6.785   9.402  -0.750
  263   2HZ   LYS  32           HZ2      LYS  32  -8.464   9.403  -1.019
  264   3HZ   LYS  32           HZ1      LYS  32  -7.858   9.361   0.560
  265    H    CYS  33           HN       CYS  33  -4.821   2.361  -1.557
  266    HA   CYS  33           HA       CYS  33  -3.726   1.254   0.909
  267   1HB   CYS  33           HB2      CYS  33  -2.750   0.947  -1.937
  268   2HB   CYS  33           HB1      CYS  33  -2.225   0.017  -0.541
  269    H    HIS  34           HN       HIS  34  -2.527   2.633   2.050
  270    HA   HIS  34           HA       HIS  34  -0.961   4.701   0.742
  271   1HB   HIS  34           HB2      HIS  34  -1.907   4.138   3.473
  272   2HB   HIS  34           HB1      HIS  34  -0.313   4.884   3.383
  273    HD1  HIS  34           HD1      HIS  34  -0.259   7.349   3.052
  274    HD2  HIS  34           HD2      HIS  34  -3.978   5.706   2.186
  275    HE1  HIS  34           HE1      HIS  34  -1.788   9.305   2.651
  276    HE2  HIS  34           HE2      HIS  34  -4.065   8.283   2.259
  277    H    CYS  35           HN       CYS  35   0.799   3.837  -0.243
  278    HA   CYS  35           HA       CYS  35   2.531   2.100   1.355
  279   1HB   CYS  35           HB2      CYS  35   2.486   2.617  -1.627
  280   2HB   CYS  35           HB1      CYS  35   3.642   1.569  -0.807
  281    H    THR  36           HN       THR  36   4.168   3.011   2.337
  282    HA   THR  36           HA       THR  36   5.264   5.544   1.312
  283    HB   THR  36           HB       THR  36   5.871   4.274   3.990
  284    HG1  THR  36           HG1      THR  36   3.503   5.053   3.225
  285   1HG2  THR  36          2HG2      THR  36   5.980   7.128   2.994
  286   2HG2  THR  36          1HG2      THR  36   6.365   6.598   4.633
  287   3HG2  THR  36          3HG2      THR  36   7.365   6.073   3.278
  288    HA   PRO  37           HA       PRO  37   8.438   3.142  -0.621
  289   1HB   PRO  37           HB2      PRO  37  10.032   5.638  -0.246
  290   2HB   PRO  37           HB1      PRO  37   9.742   4.693  -1.711
  291   1HG   PRO  37           HG2      PRO  37   8.469   6.993  -1.320
  292   2HG   PRO  37           HG1      PRO  37   7.635   5.607  -2.046
  293   1HD   PRO  37           HD2      PRO  37   7.441   6.700   0.727
  294   2HD   PRO  37           HD1      PRO  37   6.178   5.994  -0.302
  295    H    LYS  38           HN       LYS  38  10.254   2.039  -0.162
  296    HA   LYS  38           HA       LYS  38  10.775   1.409   2.473
  297   1HB   LYS  38           HB2      LYS  38  11.260  -0.037   0.518
  298   2HB   LYS  38           HB1      LYS  38  12.638   0.988   0.132
  299   1HG   LYS  38           HG2      LYS  38  13.428  -0.952   1.260
  300   2HG   LYS  38           HG1      LYS  38  13.585   0.420   2.362
  301   1HD   LYS  38           HD2      LYS  38  11.517  -0.224   3.478
  302   2HD   LYS  38           HD1      LYS  38  11.324  -1.573   2.357
  303   1HE   LYS  38           HE2      LYS  38  13.649  -1.212   4.244
  304   2HE   LYS  38           HE1      LYS  38  12.250  -2.233   4.562
  305   1HZ   LYS  38           HZ2      LYS  38  14.062  -2.583   2.231
  306   2HZ   LYS  38           HZ1      LYS  38  14.201  -3.441   3.688
  307   3HZ   LYS  38           HZ3      LYS  38  12.817  -3.623   2.727

  No H/Q in entry =         307
  Start of MODEL    4
    1    H1   GLY   1           HT3      GLY   1   3.946   9.447  -2.289
    2    H2   GLY   1           HT2      GLY   1   3.914   8.388  -0.964
    3    H3   GLY   1           HT1      GLY   1   5.222   9.444  -1.172
    4   1HA   GLY   1           HA2      GLY   1   5.814   7.192  -1.815
    5   2HA   GLY   1           HA1      GLY   1   5.888   8.305  -3.175
    6    H    VAL   2           HN       VAL   2   4.390   5.506  -1.863
    7    HA   VAL   2           HA       VAL   2   3.088   5.061  -4.430
    8    HB   VAL   2           HB       VAL   2   3.418   3.139  -2.118
    9   1HG1  VAL   2          2HG1      VAL   2   1.558   2.577  -3.601
   10   2HG1  VAL   2          1HG1      VAL   2   2.638   2.646  -4.993
   11   3HG1  VAL   2          3HG1      VAL   2   2.869   1.410  -3.755
   12   1HG2  VAL   2          1HG2      VAL   2   5.059   3.431  -4.634
   13   2HG2  VAL   2          3HG2      VAL   2   5.588   3.786  -2.990
   14   3HG2  VAL   2          2HG2      VAL   2   5.215   2.127  -3.457
   15    H    ILE   3           HN       ILE   3   1.299   6.374  -4.283
   16    HA   ILE   3           HA       ILE   3  -0.748   5.459  -2.370
   17    HB   ILE   3           HB       ILE   3  -0.674   8.100  -3.848
   18   1HG1  ILE   3          2HG1      ILE   3   1.054   8.120  -2.160
   19   2HG1  ILE   3          1HG1      ILE   3  -0.298   9.085  -1.582
   20   1HG2  ILE   3          1HG2      ILE   3  -2.937   7.330  -3.412
   21   2HG2  ILE   3          3HG2      ILE   3  -2.545   7.085  -1.710
   22   3HG2  ILE   3          2HG2      ILE   3  -2.551   8.713  -2.388
   23   1HD1  ILE   3          2HD1      ILE   3   0.286   6.250  -0.767
   24   2HD1  ILE   3          1HD1      ILE   3   0.668   7.693   0.174
   25   3HD1  ILE   3          3HD1      ILE   3  -1.014   7.273  -0.150
   26    H    ILE   4           HN       ILE   4  -2.039   4.041  -3.337
   27    HA   ILE   4           HA       ILE   4  -2.686   4.482  -6.175
   28    HB   ILE   4           HB       ILE   4  -2.818   1.994  -6.414
   29   1HG1  ILE   4          2HG1      ILE   4  -1.415   2.049  -3.729
   30   2HG1  ILE   4          1HG1      ILE   4  -3.008   1.378  -4.055
   31   1HG2  ILE   4          1HG2      ILE   4  -0.142   3.173  -5.692
   32   2HG2  ILE   4          3HG2      ILE   4  -0.385   1.692  -6.618
   33   3HG2  ILE   4          2HG2      ILE   4  -0.930   3.239  -7.268
   34   1HD1  ILE   4          2HD1      ILE   4  -0.403   0.354  -5.157
   35   2HD1  ILE   4          1HD1      ILE   4  -1.338  -0.368  -3.848
   36   3HD1  ILE   4          3HD1      ILE   4  -1.998  -0.323  -5.483
   37    H    ASN   5           HN       ASN   5  -4.749   4.412  -6.740
   38    HA   ASN   5           HA       ASN   5  -6.776   4.172  -4.727
   39   1HB   ASN   5           HB2      ASN   5  -6.974   4.585  -7.718
   40   2HB   ASN   5           HB1      ASN   5  -8.347   4.612  -6.618
   41   1HD2  ASN   5          1HD2      ASN   5  -8.882   6.716  -7.015
   42   2HD2  ASN   5          2HD2      ASN   5  -7.899   8.054  -6.518
   43    H    VAL   6           HN       VAL   6  -5.865   1.917  -4.371
   44    HA   VAL   6           HA       VAL   6  -7.396  -0.027  -5.969
   45    HB   VAL   6           HB       VAL   6  -4.870  -0.440  -4.343
   46   1HG1  VAL   6          3HG1      VAL   6  -6.338  -2.389  -4.208
   47   2HG1  VAL   6          2HG1      VAL   6  -6.446  -2.438  -5.967
   48   3HG1  VAL   6          1HG1      VAL   6  -4.902  -2.739  -5.172
   49   1HG2  VAL   6          1HG2      VAL   6  -4.468   0.695  -6.463
   50   2HG2  VAL   6          3HG2      VAL   6  -3.816  -0.944  -6.495
   51   3HG2  VAL   6          2HG2      VAL   6  -5.330  -0.580  -7.324
   52    H    LYS   7           HN       LYS   7  -9.101  -0.864  -4.925
   53    HA   LYS   7           HA       LYS   7  -9.731  -0.412  -2.246
   54   1HB   LYS   7           HB2      LYS   7 -11.503  -1.086  -3.663
   55   2HB   LYS   7           HB1      LYS   7 -10.636  -2.511  -4.201
   56   1HG   LYS   7           HG2      LYS   7 -12.242  -3.374  -2.793
   57   2HG   LYS   7           HG1      LYS   7 -10.819  -3.300  -1.762
   58   1HD   LYS   7           HD2      LYS   7 -12.958  -1.175  -1.811
   59   2HD   LYS   7           HD1      LYS   7 -12.978  -2.556  -0.710
   60   1HE   LYS   7           HE2      LYS   7 -10.833  -1.818   0.233
   61   2HE   LYS   7           HE1      LYS   7 -10.826  -0.436  -0.862
   62   1HZ   LYS   7           HZ3      LYS   7 -12.933  -0.963   1.164
   63   2HZ   LYS   7           HZ2      LYS   7 -11.639   0.106   1.385
   64   3HZ   LYS   7           HZ1      LYS   7 -12.798   0.414   0.182
   65    H    CYS   8           HN       CYS   8  -8.272  -0.904  -0.737
   66    HA   CYS   8           HA       CYS   8  -7.094  -3.549  -0.657
   67   1HB   CYS   8           HB2      CYS   8  -6.034  -2.664   1.445
   68   2HB   CYS   8           HB1      CYS   8  -5.643  -1.762  -0.016
   69    H    LYS   9           HN       LYS   9  -9.017  -4.825  -0.371
   70    HA   LYS   9           HA       LYS   9 -10.803  -4.400   1.783
   71   1HB   LYS   9           HB2      LYS   9 -10.820  -6.061  -0.335
   72   2HB   LYS   9           HB1      LYS   9 -10.296  -7.193   0.906
   73   1HG   LYS   9           HG2      LYS   9 -12.740  -7.170   0.565
   74   2HG   LYS   9           HG1      LYS   9 -12.259  -6.755   2.212
   75   1HD   LYS   9           HD2      LYS   9 -12.537  -4.379   1.698
   76   2HD   LYS   9           HD1      LYS   9 -13.016  -4.780   0.047
   77   1HE   LYS   9           HE2      LYS   9 -14.961  -5.969   0.881
   78   2HE   LYS   9           HE1      LYS   9 -14.460  -5.671   2.544
   79   1HZ   LYS   9           HZ3      LYS   9 -14.679  -3.277   2.099
   80   2HZ   LYS   9           HZ2      LYS   9 -15.265  -3.629   0.546
   81   3HZ   LYS   9           HZ1      LYS   9 -16.148  -4.106   1.911
   82    H    ILE  10           HN       ILE  10  -7.647  -5.332   1.626
   83    HA   ILE  10           HA       ILE  10  -7.400  -5.643   4.474
   84    HB   ILE  10           HB       ILE  10  -5.851  -7.647   4.165
   85   1HG1  ILE  10          2HG1      ILE  10  -7.445  -7.916   1.607
   86   2HG1  ILE  10          1HG1      ILE  10  -5.718  -7.599   1.724
   87   1HG2  ILE  10          2HG2      ILE  10  -8.816  -8.039   3.824
   88   2HG2  ILE  10          1HG2      ILE  10  -7.680  -9.285   4.342
   89   3HG2  ILE  10          3HG2      ILE  10  -7.939  -7.857   5.342
   90   1HD1  ILE  10          2HD1      ILE  10  -7.121 -10.100   2.636
   91   2HD1  ILE  10          1HD1      ILE  10  -6.159  -9.919   1.168
   92   3HD1  ILE  10          3HD1      ILE  10  -5.389  -9.788   2.749
   93    H    SER  11           HN       SER  11  -5.064  -5.461   5.088
   94    HA   SER  11           HA       SER  11  -3.796  -3.465   3.525
   95   1HB   SER  11           HB2      SER  11  -2.833  -5.071   5.894
   96   2HB   SER  11           HB1      SER  11  -1.897  -3.770   5.159
   97    HG   SER  11           HG       SER  11  -2.987  -2.696   6.652
   98    H    ARG  12           HN       ARG  12  -3.666  -6.888   3.482
   99    HA   ARG  12           HA       ARG  12  -1.124  -7.367   2.418
  100   1HB   ARG  12           HB2      ARG  12  -3.674  -8.841   1.745
  101   2HB   ARG  12           HB1      ARG  12  -2.037  -9.454   1.562
  102   1HG   ARG  12           HG2      ARG  12  -3.395  -8.771   4.159
  103   2HG   ARG  12           HG1      ARG  12  -3.123 -10.393   3.521
  104   1HD   ARG  12           HD2      ARG  12  -0.683  -9.947   3.581
  105   2HD   ARG  12           HD1      ARG  12  -1.021  -8.391   4.338
  106    HE   ARG  12           HE       ARG  12  -2.228 -10.548   5.766
  107   1HH1  ARG  12          1HH1      ARG  12   0.765  -8.798   5.286
  108   2HH1  ARG  12          2HH1      ARG  12   1.468  -9.309   6.789
  109   1HH2  ARG  12          1HH2      ARG  12  -1.329 -11.223   7.752
  110   2HH2  ARG  12          2HH2      ARG  12   0.259 -10.679   8.213
  111    H    GLN  13           HN       GLN  13  -4.039  -6.151   0.937
  112    HA   GLN  13           HA       GLN  13  -3.321  -6.577  -1.774
  113   1HB   GLN  13           HB2      GLN  13  -5.168  -4.486  -0.610
  114   2HB   GLN  13           HB1      GLN  13  -5.106  -4.982  -2.293
  115   1HG   GLN  13           HG2      GLN  13  -5.952  -6.658   0.054
  116   2HG   GLN  13           HG1      GLN  13  -6.989  -5.999  -1.206
  117   1HE2  GLN  13          1HE2      GLN  13  -5.052  -6.632  -3.337
  118   2HE2  GLN  13          2HE2      GLN  13  -5.170  -8.344  -3.565
  119    H    CYS  14           HN       CYS  14  -2.464  -4.206   0.573
  120    HA   CYS  14           HA       CYS  14  -1.351  -2.390  -1.421
  121   1HB   CYS  14           HB2      CYS  14  -1.141  -2.174   1.585
  122   2HB   CYS  14           HB1      CYS  14  -0.976  -0.886   0.397
  123    H    LEU  15           HN       LEU  15  -0.373  -4.500   1.202
  124    HA   LEU  15           HA       LEU  15   2.277  -3.820   1.470
  125   1HB   LEU  15           HB2      LEU  15   1.241  -5.220   3.049
  126   2HB   LEU  15           HB1      LEU  15   0.855  -6.439   1.845
  127    HG   LEU  15           HG       LEU  15   3.445  -6.572   1.558
  128   1HD1  LEU  15          3HD1      LEU  15   3.886  -4.628   3.000
  129   2HD1  LEU  15          2HD1      LEU  15   3.224  -5.518   4.372
  130   3HD1  LEU  15          1HD1      LEU  15   4.687  -6.094   3.570
  131   1HD2  LEU  15          3HD2      LEU  15   1.981  -7.708   3.941
  132   2HD2  LEU  15          2HD2      LEU  15   2.078  -8.416   2.331
  133   3HD2  LEU  15          1HD2      LEU  15   3.527  -8.295   3.329
  134    H    LYS  16           HN       LYS  16   0.944  -6.406  -0.625
  135    HA   LYS  16           HA       LYS  16   3.405  -7.356  -1.512
  136   1HB   LYS  16           HB2      LYS  16   1.684  -8.807  -1.973
  137   2HB   LYS  16           HB1      LYS  16   0.624  -7.545  -2.567
  138   1HG   LYS  16           HG2      LYS  16   1.294  -9.050  -4.350
  139   2HG   LYS  16           HG1      LYS  16   1.904  -7.420  -4.635
  140   1HD   LYS  16           HD2      LYS  16   4.108  -8.101  -3.815
  141   2HD   LYS  16           HD1      LYS  16   3.495  -9.730  -3.514
  142   1HE   LYS  16           HE2      LYS  16   3.072 -10.058  -5.862
  143   2HE   LYS  16           HE1      LYS  16   3.500  -8.385  -6.213
  144   1HZ   LYS  16           HZ2      LYS  16   5.416 -10.329  -5.044
  145   2HZ   LYS  16           HZ1      LYS  16   5.249 -10.083  -6.714
  146   3HZ   LYS  16           HZ3      LYS  16   5.759  -8.812  -5.716
  147    HA   PRO  17           HA       PRO  17   3.157  -4.421  -5.410
  148   1HB   PRO  17           HB2      PRO  17   1.366  -2.312  -4.349
  149   2HB   PRO  17           HB1      PRO  17   1.487  -2.967  -5.983
  150   1HG   PRO  17           HG2      PRO  17  -0.564  -3.578  -4.375
  151   2HG   PRO  17           HG1      PRO  17   0.118  -4.757  -5.509
  152   1HD   PRO  17           HD2      PRO  17   0.441  -4.570  -2.554
  153   2HD   PRO  17           HD1      PRO  17   0.365  -5.988  -3.603
  154    H    CYS  18           HN       CYS  18   2.836  -3.249  -2.087
  155    HA   CYS  18           HA       CYS  18   4.347  -0.856  -2.626
  156   1HB   CYS  18           HB2      CYS  18   3.345  -2.051  -0.034
  157   2HB   CYS  18           HB1      CYS  18   4.239  -0.534  -0.129
  158    H    LYS  19           HN       LYS  19   5.003  -3.788  -0.684
  159    HA   LYS  19           HA       LYS  19   7.667  -2.920  -0.148
  160   1HB   LYS  19           HB2      LYS  19   6.029  -4.600   1.136
  161   2HB   LYS  19           HB1      LYS  19   6.936  -5.780   0.193
  162   1HG   LYS  19           HG2      LYS  19   8.967  -5.172   1.183
  163   2HG   LYS  19           HG1      LYS  19   8.297  -3.676   1.832
  164   1HD   LYS  19           HD2      LYS  19   6.760  -5.140   3.219
  165   2HD   LYS  19           HD1      LYS  19   7.784  -6.496   2.736
  166   1HE   LYS  19           HE2      LYS  19   8.695  -4.004   4.171
  167   2HE   LYS  19           HE1      LYS  19   8.473  -5.595   4.902
  168   1HZ   LYS  19           HZ2      LYS  19  10.176  -6.438   3.342
  169   2HZ   LYS  19           HZ1      LYS  19  10.450  -4.850   2.817
  170   3HZ   LYS  19           HZ3      LYS  19  10.779  -5.282   4.424
  171    H    ASP  20           HN       ASP  20   6.153  -4.601  -2.716
  172    HA   ASP  20           HA       ASP  20   8.423  -5.989  -3.712
  173   1HB   ASP  20           HB2      ASP  20   5.909  -6.192  -4.400
  174   2HB   ASP  20           HB1      ASP  20   6.282  -4.872  -5.504
  175    H    ALA  21           HN       ALA  21   7.241  -2.712  -3.954
  176    HA   ALA  21           HA       ALA  21   9.500  -1.953  -5.669
  177   1HB   ALA  21           HB3      ALA  21   7.119  -0.334  -4.747
  178   2HB   ALA  21           HB2      ALA  21   8.366   0.206  -5.874
  179   3HB   ALA  21           HB1      ALA  21   7.293  -1.121  -6.318
  180    H    GLY  22           HN       GLY  22   9.052  -2.494  -2.549
  181   1HA   GLY  22           HA1      GLY  22  10.929  -0.399  -1.674
  182   2HA   GLY  22           HA2      GLY  22  10.644  -1.938  -0.872
  183    H    MET  23           HN       MET  23   9.153  -2.014   0.725
  184    HA   MET  23           HA       MET  23   7.790   0.515   1.241
  185   1HB   MET  23           HB2      MET  23   5.844  -0.504   1.602
  186   2HB   MET  23           HB1      MET  23   6.559  -1.979   0.964
  187   1HG   MET  23           HG2      MET  23   7.120  -2.738   3.143
  188   2HG   MET  23           HG1      MET  23   6.717  -1.183   3.854
  189   1HE   MET  23           HE3      MET  23   5.661  -3.728   5.198
  190   2HE   MET  23           HE2      MET  23   5.176  -2.108   5.700
  191   3HE   MET  23           HE1      MET  23   3.954  -3.351   5.433
  192    H    ARG  24           HN       ARG  24   8.650   1.531   2.789
  193    HA   ARG  24           HA       ARG  24   9.938   0.219   5.004
  194   1HB   ARG  24           HB2      ARG  24  11.104   2.098   4.719
  195   2HB   ARG  24           HB1      ARG  24   9.862   2.809   3.705
  196   1HG   ARG  24           HG2      ARG  24  10.116   4.285   5.506
  197   2HG   ARG  24           HG1      ARG  24   8.663   3.354   5.896
  198   1HD   ARG  24           HD2      ARG  24   9.838   2.008   7.453
  199   2HD   ARG  24           HD1      ARG  24  11.401   2.622   6.912
  200    HE   ARG  24           HE       ARG  24   9.738   4.721   7.884
  201   1HH1  ARG  24          1HH1      ARG  24  11.812   2.103   8.930
  202   2HH1  ARG  24          2HH1      ARG  24  12.212   2.856  10.445
  203   1HH2  ARG  24          1HH2      ARG  24  10.256   5.710   9.867
  204   2HH2  ARG  24          2HH2      ARG  24  11.321   4.910  10.973
  205    H    PHE  25           HN       PHE  25   6.958   1.810   4.132
  206    HA   PHE  25           HA       PHE  25   5.674   0.577   6.464
  207   1HB   PHE  25           HB2      PHE  25   5.321   3.447   5.589
  208   2HB   PHE  25           HB1      PHE  25   4.112   2.600   6.549
  209    HD1  PHE  25           HD1      PHE  25   5.446   1.219   8.582
  210    HD2  PHE  25           HD2      PHE  25   6.529   4.940   6.818
  211    HE1  PHE  25           HE1      PHE  25   6.664   1.831  10.626
  212    HE2  PHE  25           HE2      PHE  25   7.747   5.558   8.863
  213    HZ   PHE  25           HZ       PHE  25   7.786   4.015  10.786
  214    H    GLY  26           HN       GLY  26   3.480  -0.032   6.062
  215   1HA   GLY  26           HA1      GLY  26   2.730  -1.192   3.805
  216   2HA   GLY  26           HA2      GLY  26   2.381   0.488   3.415
  217    H    LYS  27           HN       LYS  27   0.432   1.246   3.949
  218    HA   LYS  27           HA       LYS  27  -1.133  -0.283   5.907
  219   1HB   LYS  27           HB2      LYS  27  -0.784   2.704   5.747
  220   2HB   LYS  27           HB1      LYS  27  -2.133   1.954   6.591
  221   1HG   LYS  27           HG2      LYS  27  -0.674   0.903   8.152
  222   2HG   LYS  27           HG1      LYS  27   0.751   1.385   7.224
  223   1HD   LYS  27           HD2      LYS  27   0.462   2.836   9.153
  224   2HD   LYS  27           HD1      LYS  27   0.224   3.736   7.657
  225   1HE   LYS  27           HE2      LYS  27  -1.465   4.407   9.221
  226   2HE   LYS  27           HE1      LYS  27  -2.229   3.468   7.942
  227   1HZ   LYS  27           HZ3      LYS  27  -1.435   2.331  10.565
  228   2HZ   LYS  27           HZ2      LYS  27  -2.987   2.929  10.231
  229   3HZ   LYS  27           HZ1      LYS  27  -2.388   1.592   9.373
  230    H    CYS  28           HN       CYS  28  -3.166  -0.723   5.362
  231    HA   CYS  28           HA       CYS  28  -4.320   0.459   2.966
  232   1HB   CYS  28           HB2      CYS  28  -4.851  -1.852   3.219
  233   2HB   CYS  28           HB1      CYS  28  -5.286  -1.650   4.913
  234    H    MET  29           HN       MET  29  -5.867   2.083   3.007
  235    HA   MET  29           HA       MET  29  -6.556   3.036   5.703
  236   1HB   MET  29           HB2      MET  29  -5.633   4.731   3.382
  237   2HB   MET  29           HB1      MET  29  -6.289   5.371   4.884
  238   1HG   MET  29           HG2      MET  29  -4.419   4.161   6.072
  239   2HG   MET  29           HG1      MET  29  -3.724   3.864   4.480
  240   1HE   MET  29           HE2      MET  29  -1.482   5.050   5.307
  241   2HE   MET  29           HE1      MET  29  -1.424   6.689   5.959
  242   3HE   MET  29           HE3      MET  29  -2.203   5.401   6.877
  243    H    ASN  30           HN       ASN  30  -8.492   1.828   5.231
  244    HA   ASN  30           HA       ASN  30 -10.737   1.900   5.080
  245   1HB   ASN  30           HB2      ASN  30 -10.263   4.761   4.257
  246   2HB   ASN  30           HB1      ASN  30 -11.870   4.064   4.451
  247   1HD2  ASN  30          1HD2      ASN  30 -10.649   6.246   5.927
  248   2HD2  ASN  30          2HD2      ASN  30 -10.642   5.756   7.592
  249    H    GLY  31           HN       GLY  31  -9.477   3.670   2.247
  250   1HA   GLY  31           HA1      GLY  31 -10.974   3.535   0.233
  251   2HA   GLY  31           HA2      GLY  31 -11.053   1.813   0.578
  252    H    LYS  32           HN       LYS  32  -8.255   4.015   0.650
  253    HA   LYS  32           HA       LYS  32  -7.224   2.609  -1.724
  254   1HB   LYS  32           HB2      LYS  32  -6.780   5.407  -0.708
  255   2HB   LYS  32           HB1      LYS  32  -5.672   4.665  -1.853
  256   1HG   LYS  32           HG2      LYS  32  -7.171   5.993  -3.104
  257   2HG   LYS  32           HG1      LYS  32  -7.632   4.315  -3.378
  258   1HD   LYS  32           HD2      LYS  32  -9.457   4.542  -1.777
  259   2HD   LYS  32           HD1      LYS  32  -8.970   6.204  -1.439
  260   1HE   LYS  32           HE2      LYS  32  -9.857   5.172  -4.133
  261   2HE   LYS  32           HE1      LYS  32 -10.880   6.056  -3.002
  262   1HZ   LYS  32           HZ1      LYS  32  -8.358   7.137  -4.132
  263   2HZ   LYS  32           HZ3      LYS  32  -9.890   7.441  -4.784
  264   3HZ   LYS  32           HZ2      LYS  32  -9.509   7.975  -3.219
  265    H    CYS  33           HN       CYS  33  -4.866   2.432  -1.863
  266    HA   CYS  33           HA       CYS  33  -3.777   1.529   0.680
  267   1HB   CYS  33           HB2      CYS  33  -2.961   1.124  -2.192
  268   2HB   CYS  33           HB1      CYS  33  -1.911   0.669  -0.854
  269    H    HIS  34           HN       HIS  34  -2.416   2.675   1.810
  270    HA   HIS  34           HA       HIS  34  -0.885   4.806   0.473
  271   1HB   HIS  34           HB2      HIS  34  -2.310   4.905   3.135
  272   2HB   HIS  34           HB1      HIS  34  -1.087   6.073   2.655
  273    HD1  HIS  34           HD1      HIS  34  -2.006   8.132   1.678
  274    HD2  HIS  34           HD2      HIS  34  -4.552   4.891   1.096
  275    HE1  HIS  34           HE1      HIS  34  -4.050   9.066   0.541
  276    HE2  HIS  34           HE2      HIS  34  -5.645   7.124   0.387
  277    H    CYS  35           HN       CYS  35   1.036   3.776   0.380
  278    HA   CYS  35           HA       CYS  35   2.143   2.870   2.941
  279   1HB   CYS  35           HB2      CYS  35   3.563   1.317   1.542
  280   2HB   CYS  35           HB1      CYS  35   1.851   0.919   1.622
  281    H    THR  36           HN       THR  36   4.474   3.008   3.101
  282    HA   THR  36           HA       THR  36   5.490   5.388   1.696
  283    HB   THR  36           HB       THR  36   6.329   4.385   4.430
  284    HG1  THR  36           HG1      THR  36   4.223   6.007   3.607
  285   1HG2  THR  36          2HG2      THR  36   6.834   6.994   2.987
  286   2HG2  THR  36          1HG2      THR  36   7.321   6.633   4.644
  287   3HG2  THR  36          3HG2      THR  36   8.024   5.730   3.303
  288    HA   PRO  37           HA       PRO  37   8.173   2.269  -0.107
  289   1HB   PRO  37           HB2      PRO  37   9.555   4.691  -1.136
  290   2HB   PRO  37           HB1      PRO  37   8.910   3.302  -2.015
  291   1HG   PRO  37           HG2      PRO  37   7.673   5.667  -2.089
  292   2HG   PRO  37           HG1      PRO  37   6.753   4.150  -2.042
  293   1HD   PRO  37           HD2      PRO  37   7.310   6.097   0.161
  294   2HD   PRO  37           HD1      PRO  37   5.822   5.197  -0.200
  295    H    LYS  38           HN       LYS  38  10.291   1.595   0.121
  296    HA   LYS  38           HA       LYS  38  11.426   2.218   2.640
  297   1HB   LYS  38           HB2      LYS  38  11.465  -0.016   1.423
  298   2HB   LYS  38           HB1      LYS  38  12.755   0.653   0.427
  299   1HG   LYS  38           HG2      LYS  38  13.811  -0.581   2.119
  300   2HG   LYS  38           HG1      LYS  38  13.982   1.115   2.587
  301   1HD   LYS  38           HD2      LYS  38  11.993   0.869   4.038
  302   2HD   LYS  38           HD1      LYS  38  11.958  -0.849   3.632
  303   1HE   LYS  38           HE2      LYS  38  14.159   0.633   5.063
  304   2HE   LYS  38           HE1      LYS  38  13.066  -0.564   5.753
  305   1HZ   LYS  38           HZ1      LYS  38  14.030  -2.212   4.216
  306   2HZ   LYS  38           HZ3      LYS  38  15.148  -1.046   3.689
  307   3HZ   LYS  38           HZ2      LYS  38  15.172  -1.574   5.299

  No H/Q in entry =         307
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1   3.196  10.722  -0.286
    2    H2   GLY   1           HT3      GLY   1   4.346  10.504   0.939
    3    H3   GLY   1           HT2      GLY   1   4.835  10.526  -0.685
    4   1HA   GLY   1           HA2      GLY   1   3.219   8.456   0.695
    5   2HA   GLY   1           HA1      GLY   1   4.836   8.271   0.029
    6    H    VAL   2           HN       VAL   2   3.931   6.457  -1.168
    7    HA   VAL   2           HA       VAL   2   2.784   7.364  -3.693
    8    HB   VAL   2           HB       VAL   2   3.727   4.587  -2.946
    9   1HG1  VAL   2          2HG1      VAL   2   2.170   4.633  -4.825
   10   2HG1  VAL   2          1HG1      VAL   2   3.167   5.842  -5.635
   11   3HG1  VAL   2          3HG1      VAL   2   3.797   4.217  -5.365
   12   1HG2  VAL   2          1HG2      VAL   2   5.569   6.177  -2.789
   13   2HG2  VAL   2          3HG2      VAL   2   5.771   5.115  -4.184
   14   3HG2  VAL   2          2HG2      VAL   2   5.206   6.771  -4.410
   15    H    ILE   3           HN       ILE   3   0.657   7.758  -3.172
   16    HA   ILE   3           HA       ILE   3  -0.892   5.701  -1.873
   17    HB   ILE   3           HB       ILE   3  -1.324   7.975  -1.220
   18   1HG1  ILE   3          2HG1      ILE   3  -3.741   8.076  -1.614
   19   2HG1  ILE   3          1HG1      ILE   3  -3.582   6.849  -2.860
   20   1HG2  ILE   3          3HG2      ILE   3  -1.934   8.467  -4.120
   21   2HG2  ILE   3          2HG2      ILE   3  -2.382   9.574  -2.822
   22   3HG2  ILE   3          1HG2      ILE   3  -0.682   9.228  -3.139
   23   1HD1  ILE   3          3HD1      ILE   3  -2.763   5.266  -1.184
   24   2HD1  ILE   3          2HD1      ILE   3  -2.961   6.499   0.061
   25   3HD1  ILE   3          1HD1      ILE   3  -4.372   5.874  -0.791
   26    H    ILE   4           HN       ILE   4  -1.542   4.055  -3.009
   27    HA   ILE   4           HA       ILE   4  -2.091   4.358  -5.857
   28    HB   ILE   4           HB       ILE   4  -2.198   1.883  -5.897
   29   1HG1  ILE   4          2HG1      ILE   4  -1.372   2.121  -2.997
   30   2HG1  ILE   4          1HG1      ILE   4  -2.915   1.504  -3.581
   31   1HG2  ILE   4          3HG2      ILE   4  -0.123   3.055  -6.397
   32   2HG2  ILE   4          2HG2      ILE   4   0.313   3.031  -4.687
   33   3HG2  ILE   4          1HG2      ILE   4   0.200   1.520  -5.592
   34   1HD1  ILE   4          1HD1      ILE   4  -0.218   0.262  -4.093
   35   2HD1  ILE   4          3HD1      ILE   4  -1.411  -0.295  -2.918
   36   3HD1  ILE   4          2HD1      ILE   4  -1.774  -0.366  -4.642
   37    H    ASN   5           HN       ASN   5  -4.020   3.649  -6.808
   38    HA   ASN   5           HA       ASN   5  -6.312   4.280  -5.151
   39   1HB   ASN   5           HB2      ASN   5  -7.568   4.388  -7.247
   40   2HB   ASN   5           HB1      ASN   5  -6.088   5.332  -7.368
   41   1HD2  ASN   5          1HD2      ASN   5  -7.787   2.507  -8.440
   42   2HD2  ASN   5          2HD2      ASN   5  -6.729   2.111  -9.748
   43    H    VAL   6           HN       VAL   6  -4.750   1.587  -5.313
   44    HA   VAL   6           HA       VAL   6  -6.716  -0.359  -5.986
   45    HB   VAL   6           HB       VAL   6  -4.362  -0.613  -4.095
   46   1HG1  VAL   6          1HG1      VAL   6  -6.040  -2.381  -3.818
   47   2HG1  VAL   6          3HG1      VAL   6  -5.930  -2.746  -5.541
   48   3HG1  VAL   6          2HG1      VAL   6  -4.535  -3.007  -4.493
   49   1HG2  VAL   6          3HG2      VAL   6  -3.641   0.093  -6.309
   50   2HG2  VAL   6          2HG2      VAL   6  -3.166  -1.578  -6.002
   51   3HG2  VAL   6          1HG2      VAL   6  -4.549  -1.228  -7.040
   52    H    LYS   7           HN       LYS   7  -8.553  -0.748  -4.882
   53    HA   LYS   7           HA       LYS   7  -9.055   0.431  -2.353
   54   1HB   LYS   7           HB2      LYS   7 -10.761  -0.323  -4.181
   55   2HB   LYS   7           HB1      LYS   7 -10.654  -1.894  -3.397
   56   1HG   LYS   7           HG2      LYS   7 -11.407   0.664  -1.991
   57   2HG   LYS   7           HG1      LYS   7 -12.562  -0.506  -2.628
   58   1HD   LYS   7           HD2      LYS   7 -11.919  -2.146  -1.085
   59   2HD   LYS   7           HD1      LYS   7 -10.437  -1.293  -0.661
   60   1HE   LYS   7           HE2      LYS   7 -12.084  -1.089   1.116
   61   2HE   LYS   7           HE1      LYS   7 -11.753   0.482   0.385
   62   1HZ   LYS   7           HZ3      LYS   7 -14.076  -1.222  -0.354
   63   2HZ   LYS   7           HZ2      LYS   7 -14.144   0.012   0.806
   64   3HZ   LYS   7           HZ1      LYS   7 -13.793   0.388  -0.810
   65    H    CYS   8           HN       CYS   8  -8.282  -0.196  -0.503
   66    HA   CYS   8           HA       CYS   8  -6.858  -2.667  -0.266
   67   1HB   CYS   8           HB2      CYS   8  -6.275  -1.835   1.964
   68   2HB   CYS   8           HB1      CYS   8  -6.016  -0.611   0.730
   69    H    LYS   9           HN       LYS   9  -8.652  -4.178  -0.576
   70    HA   LYS   9           HA       LYS   9 -10.755  -4.404   1.324
   71   1HB   LYS   9           HB2      LYS   9  -9.468  -6.597  -0.328
   72   2HB   LYS   9           HB1      LYS   9 -11.037  -6.683   0.461
   73   1HG   LYS   9           HG2      LYS   9 -10.335  -4.727  -1.718
   74   2HG   LYS   9           HG1      LYS   9 -11.154  -6.266  -1.979
   75   1HD   LYS   9           HD2      LYS   9 -12.197  -4.114  -0.142
   76   2HD   LYS   9           HD1      LYS   9 -12.656  -4.250  -1.840
   77   1HE   LYS   9           HE2      LYS   9 -13.049  -6.388   0.254
   78   2HE   LYS   9           HE1      LYS   9 -14.300  -5.290  -0.328
   79   1HZ   LYS   9           HZ2      LYS   9 -13.911  -6.217  -2.583
   80   2HZ   LYS   9           HZ1      LYS   9 -12.865  -7.361  -1.900
   81   3HZ   LYS   9           HZ3      LYS   9 -14.504  -7.357  -1.473
   82    H    ILE  10           HN       ILE  10  -7.483  -4.905   1.433
   83    HA   ILE  10           HA       ILE  10  -7.342  -5.758   4.138
   84    HB   ILE  10           HB       ILE  10  -5.852  -7.788   3.553
   85   1HG1  ILE  10          2HG1      ILE  10  -7.560  -7.720   1.057
   86   2HG1  ILE  10          1HG1      ILE  10  -5.827  -7.416   1.117
   87   1HG2  ILE  10          1HG2      ILE  10  -8.843  -7.994   3.306
   88   2HG2  ILE  10          3HG2      ILE  10  -7.758  -9.349   3.613
   89   3HG2  ILE  10          2HG2      ILE  10  -7.895  -8.043   4.792
   90   1HD1  ILE  10          2HD1      ILE  10  -7.186 -10.003   1.831
   91   2HD1  ILE  10          1HD1      ILE  10  -6.328  -9.662   0.328
   92   3HD1  ILE  10          3HD1      ILE  10  -5.448  -9.703   1.855
   93    H    SER  11           HN       SER  11  -5.194  -5.448   4.929
   94    HA   SER  11           HA       SER  11  -3.650  -3.660   3.318
   95   1HB   SER  11           HB2      SER  11  -2.987  -4.898   5.998
   96   2HB   SER  11           HB1      SER  11  -2.122  -3.557   5.248
   97    HG   SER  11           HG       SER  11  -4.886  -3.544   5.948
   98    H    ARG  12           HN       ARG  12  -3.624  -7.037   3.874
   99    HA   ARG  12           HA       ARG  12  -1.043  -7.780   3.214
  100   1HB   ARG  12           HB2      ARG  12  -3.708  -9.037   2.623
  101   2HB   ARG  12           HB1      ARG  12  -2.215  -9.778   2.073
  102   1HG   ARG  12           HG2      ARG  12  -1.442  -9.973   4.365
  103   2HG   ARG  12           HG1      ARG  12  -2.907  -9.174   4.940
  104   1HD   ARG  12           HD2      ARG  12  -2.886 -11.706   5.064
  105   2HD   ARG  12           HD1      ARG  12  -4.276 -10.970   4.264
  106    HE   ARG  12           HE       ARG  12  -1.986 -12.036   2.730
  107   1HH1  ARG  12          1HH1      ARG  12  -5.427 -11.891   3.404
  108   2HH1  ARG  12          2HH1      ARG  12  -5.869 -12.781   1.976
  109   1HH2  ARG  12          1HH2      ARG  12  -2.570 -13.186   0.848
  110   2HH2  ARG  12          2HH2      ARG  12  -4.249 -13.478   0.503
  111    H    GLN  13           HN       GLN  13  -3.741  -6.981   1.058
  112    HA   GLN  13           HA       GLN  13  -2.250  -7.570  -1.317
  113   1HB   GLN  13           HB2      GLN  13  -4.211  -6.992  -2.511
  114   2HB   GLN  13           HB1      GLN  13  -4.762  -7.764  -1.031
  115   1HG   GLN  13           HG2      GLN  13  -5.285  -5.643  -0.062
  116   2HG   GLN  13           HG1      GLN  13  -4.639  -4.803  -1.470
  117   1HE2  GLN  13          1HE2      GLN  13  -5.808  -4.824  -3.391
  118   2HE2  GLN  13          2HE2      GLN  13  -7.478  -5.258  -3.444
  119    H    CYS  14           HN       CYS  14  -2.120  -5.046   0.790
  120    HA   CYS  14           HA       CYS  14  -1.595  -3.022  -1.244
  121   1HB   CYS  14           HB2      CYS  14  -1.617  -2.791   1.774
  122   2HB   CYS  14           HB1      CYS  14  -1.420  -1.456   0.644
  123    H    LEU  15           HN       LEU  15   0.039  -4.415   1.626
  124    HA   LEU  15           HA       LEU  15   2.418  -2.962   0.948
  125   1HB   LEU  15           HB2      LEU  15   1.367  -3.856   3.285
  126   2HB   LEU  15           HB1      LEU  15   2.642  -5.033   3.005
  127    HG   LEU  15           HG       LEU  15   3.134  -2.073   2.879
  128   1HD1  LEU  15          2HD1      LEU  15   3.412  -3.906   5.269
  129   2HD1  LEU  15          1HD1      LEU  15   3.998  -2.244   5.186
  130   3HD1  LEU  15          3HD1      LEU  15   2.268  -2.574   5.102
  131   1HD2  LEU  15          3HD2      LEU  15   4.973  -4.419   3.288
  132   2HD2  LEU  15          2HD2      LEU  15   4.812  -3.453   1.821
  133   3HD2  LEU  15          1HD2      LEU  15   5.449  -2.720   3.294
  134    H    LYS  16           HN       LYS  16   1.355  -6.298   0.592
  135    HA   LYS  16           HA       LYS  16   3.833  -7.487   0.180
  136   1HB   LYS  16           HB2      LYS  16   1.934  -8.908   0.376
  137   2HB   LYS  16           HB1      LYS  16   1.139  -8.168  -0.998
  138   1HG   LYS  16           HG2      LYS  16   2.023 -10.386  -1.517
  139   2HG   LYS  16           HG1      LYS  16   2.759  -9.130  -2.508
  140   1HD   LYS  16           HD2      LYS  16   4.433 -10.728  -1.749
  141   2HD   LYS  16           HD1      LYS  16   4.727  -9.136  -1.052
  142   1HE   LYS  16           HE2      LYS  16   3.668  -9.851   1.033
  143   2HE   LYS  16           HE1      LYS  16   3.365 -11.443   0.335
  144   1HZ   LYS  16           HZ2      LYS  16   6.046 -10.238   0.772
  145   2HZ   LYS  16           HZ1      LYS  16   5.339 -11.441   1.732
  146   3HZ   LYS  16           HZ3      LYS  16   5.745 -11.774   0.119
  147    HA   PRO  17           HA       PRO  17   3.724  -6.155  -4.442
  148   1HB   PRO  17           HB2      PRO  17   1.741  -4.006  -4.602
  149   2HB   PRO  17           HB1      PRO  17   1.947  -5.416  -5.643
  150   1HG   PRO  17           HG2      PRO  17  -0.138  -5.181  -3.962
  151   2HG   PRO  17           HG1      PRO  17   0.610  -6.751  -4.323
  152   1HD   PRO  17           HD2      PRO  17   0.983  -4.976  -1.935
  153   2HD   PRO  17           HD1      PRO  17   0.770  -6.734  -2.005
  154    H    CYS  18           HN       CYS  18   3.079  -3.763  -1.878
  155    HA   CYS  18           HA       CYS  18   4.460  -1.677  -3.271
  156   1HB   CYS  18           HB2      CYS  18   3.431  -1.905  -0.446
  157   2HB   CYS  18           HB1      CYS  18   4.299  -0.487  -1.027
  158    H    LYS  19           HN       LYS  19   5.312  -3.671  -0.408
  159    HA   LYS  19           HA       LYS  19   7.908  -2.543  -0.174
  160   1HB   LYS  19           HB2      LYS  19   6.786  -3.770   1.664
  161   2HB   LYS  19           HB1      LYS  19   6.966  -5.266   0.756
  162   1HG   LYS  19           HG2      LYS  19   9.398  -5.041   0.866
  163   2HG   LYS  19           HG1      LYS  19   9.219  -3.537   1.766
  164   1HD   LYS  19           HD2      LYS  19   8.168  -6.204   2.695
  165   2HD   LYS  19           HD1      LYS  19   9.723  -5.530   3.181
  166   1HE   LYS  19           HE2      LYS  19   8.571  -3.590   4.132
  167   2HE   LYS  19           HE1      LYS  19   7.019  -4.281   3.658
  168   1HZ   LYS  19           HZ3      LYS  19   7.498  -6.183   5.105
  169   2HZ   LYS  19           HZ2      LYS  19   8.947  -5.459   5.591
  170   3HZ   LYS  19           HZ1      LYS  19   7.468  -4.730   5.976
  171    H    ASP  20           HN       ASP  20   6.563  -5.069  -2.123
  172    HA   ASP  20           HA       ASP  20   8.940  -6.362  -2.911
  173   1HB   ASP  20           HB2      ASP  20   6.565  -7.161  -3.275
  174   2HB   ASP  20           HB1      ASP  20   6.452  -5.991  -4.585
  175    H    ALA  21           HN       ALA  21   7.405  -3.394  -3.881
  176    HA   ALA  21           HA       ALA  21   9.372  -2.998  -6.021
  177   1HB   ALA  21           HB3      ALA  21   7.030  -2.615  -6.603
  178   2HB   ALA  21           HB1      ALA  21   7.973  -1.129  -6.731
  179   3HB   ALA  21           HB2      ALA  21   6.916  -1.387  -5.342
  180    H    GLY  22           HN       GLY  22   9.344  -2.563  -2.838
  181   1HA   GLY  22           HA1      GLY  22  11.201  -0.312  -3.012
  182   2HA   GLY  22           HA2      GLY  22  11.015  -1.401  -1.642
  183    H    MET  23           HN       MET  23   8.417  -1.268  -1.052
  184    HA   MET  23           HA       MET  23   8.284   1.468  -0.029
  185   1HB   MET  23           HB2      MET  23   5.927  -0.188  -0.944
  186   2HB   MET  23           HB1      MET  23   5.823   1.378  -0.145
  187   1HG   MET  23           HG2      MET  23   6.852   2.475  -1.967
  188   2HG   MET  23           HG1      MET  23   7.297   0.943  -2.711
  189   1HE   MET  23           HE3      MET  23   6.022   3.116  -4.444
  190   2HE   MET  23           HE2      MET  23   6.279   1.489  -5.075
  191   3HE   MET  23           HE1      MET  23   4.716   2.279  -5.284
  192    H    ARG  24           HN       ARG  24   8.906   1.216   1.917
  193    HA   ARG  24           HA       ARG  24   8.876  -1.122   3.426
  194   1HB   ARG  24           HB2      ARG  24  10.501   0.227   4.166
  195   2HB   ARG  24           HB1      ARG  24   9.644   1.681   3.689
  196   1HG   ARG  24           HG2      ARG  24   8.275   1.450   5.766
  197   2HG   ARG  24           HG1      ARG  24   9.332   0.115   6.243
  198   1HD   ARG  24           HD2      ARG  24  11.267   1.615   6.091
  199   2HD   ARG  24           HD1      ARG  24  10.194   2.944   5.659
  200    HE   ARG  24           HE       ARG  24   9.292   1.894   8.065
  201   1HH1  ARG  24          1HH1      ARG  24  12.061   3.620   6.795
  202   2HH1  ARG  24          2HH1      ARG  24  12.510   4.290   8.332
  203   1HH2  ARG  24          1HH2      ARG  24   9.888   2.776  10.097
  204   2HH2  ARG  24          2HH2      ARG  24  11.283   3.812  10.194
  205    H    PHE  25           HN       PHE  25   6.482   1.417   3.146
  206    HA   PHE  25           HA       PHE  25   4.900   0.006   5.195
  207   1HB   PHE  25           HB2      PHE  25   4.913   2.935   4.493
  208   2HB   PHE  25           HB1      PHE  25   3.605   2.187   5.399
  209    HD1  PHE  25           HD1      PHE  25   4.626   0.590   7.396
  210    HD2  PHE  25           HD2      PHE  25   6.414   4.088   5.764
  211    HE1  PHE  25           HE1      PHE  25   5.899   0.908   9.476
  212    HE2  PHE  25           HE2      PHE  25   7.690   4.411   7.839
  213    HZ   PHE  25           HZ       PHE  25   7.402   2.791   9.720
  214    H    GLY  26           HN       GLY  26   2.529   0.167   4.859
  215   1HA   GLY  26           HA1      GLY  26   1.849  -1.014   2.408
  216   2HA   GLY  26           HA2      GLY  26   1.380   0.683   2.345
  217    H    LYS  27           HN       LYS  27  -0.014   1.466   4.062
  218    HA   LYS  27           HA       LYS  27  -1.414  -0.612   5.589
  219   1HB   LYS  27           HB2      LYS  27  -0.312   1.071   6.944
  220   2HB   LYS  27           HB1      LYS  27  -1.085   2.359   6.038
  221   1HG   LYS  27           HG2      LYS  27  -2.201   2.193   8.108
  222   2HG   LYS  27           HG1      LYS  27  -3.283   1.512   6.892
  223   1HD   LYS  27           HD2      LYS  27  -2.702  -0.728   7.561
  224   2HD   LYS  27           HD1      LYS  27  -1.461  -0.120   8.659
  225   1HE   LYS  27           HE2      LYS  27  -3.385  -0.698   9.954
  226   2HE   LYS  27           HE1      LYS  27  -3.243   1.059   9.926
  227   1HZ   LYS  27           HZ3      LYS  27  -4.910   1.003   8.060
  228   2HZ   LYS  27           HZ2      LYS  27  -5.153  -0.636   8.419
  229   3HZ   LYS  27           HZ1      LYS  27  -5.504   0.543   9.582
  230    H    CYS  28           HN       CYS  28  -3.535  -0.978   5.231
  231    HA   CYS  28           HA       CYS  28  -4.931   0.418   3.185
  232   1HB   CYS  28           HB2      CYS  28  -5.616  -1.805   3.506
  233   2HB   CYS  28           HB1      CYS  28  -5.767  -1.599   5.242
  234    H    MET  29           HN       MET  29  -6.089   2.207   3.288
  235    HA   MET  29           HA       MET  29  -7.012   3.172   5.894
  236   1HB   MET  29           HB2      MET  29  -5.256   4.688   3.969
  237   2HB   MET  29           HB1      MET  29  -6.276   5.511   5.142
  238   1HG   MET  29           HG2      MET  29  -4.093   3.537   5.776
  239   2HG   MET  29           HG1      MET  29  -3.989   5.289   5.940
  240   1HE   MET  29           HE3      MET  29  -5.578   6.684   7.583
  241   2HE   MET  29           HE2      MET  29  -7.028   5.850   7.027
  242   3HE   MET  29           HE1      MET  29  -6.674   5.943   8.751
  243    H    ASN  30           HN       ASN  30  -9.116   2.987   5.521
  244    HA   ASN  30           HA       ASN  30 -11.181   3.700   4.914
  245   1HB   ASN  30           HB2      ASN  30  -9.811   5.646   3.045
  246   2HB   ASN  30           HB1      ASN  30 -11.492   5.694   3.561
  247   1HD2  ASN  30          1HD2      ASN  30  -9.340   7.658   3.822
  248   2HD2  ASN  30          2HD2      ASN  30  -9.214   8.012   5.513
  249    H    GLY  31           HN       GLY  31  -9.487   4.197   1.820
  250   1HA   GLY  31           HA1      GLY  31 -11.128   3.261  -0.002
  251   2HA   GLY  31           HA2      GLY  31 -10.719   1.746   0.789
  252    H    LYS  32           HN       LYS  32  -7.983   3.419   1.141
  253    HA   LYS  32           HA       LYS  32  -6.909   2.483  -1.429
  254   1HB   LYS  32           HB2      LYS  32  -6.551   5.181  -0.163
  255   2HB   LYS  32           HB1      LYS  32  -5.350   4.533  -1.272
  256   1HG   LYS  32           HG2      LYS  32  -7.174   4.297  -2.973
  257   2HG   LYS  32           HG1      LYS  32  -8.240   5.154  -1.854
  258   1HD   LYS  32           HD2      LYS  32  -6.735   7.070  -1.871
  259   2HD   LYS  32           HD1      LYS  32  -5.640   6.215  -2.956
  260   1HE   LYS  32           HE2      LYS  32  -7.451   6.119  -4.638
  261   2HE   LYS  32           HE1      LYS  32  -8.473   7.067  -3.557
  262   1HZ   LYS  32           HZ2      LYS  32  -6.720   8.813  -3.632
  263   2HZ   LYS  32           HZ1      LYS  32  -5.932   7.921  -4.840
  264   3HZ   LYS  32           HZ3      LYS  32  -7.489   8.543  -5.121
  265    H    CYS  33           HN       CYS  33  -4.589   2.168  -1.445
  266    HA   CYS  33           HA       CYS  33  -3.640   1.231   1.162
  267   1HB   CYS  33           HB2      CYS  33  -2.516   0.731  -1.604
  268   2HB   CYS  33           HB1      CYS  33  -1.943  -0.006  -0.115
  269    H    HIS  34           HN       HIS  34  -2.497   2.597   2.290
  270    HA   HIS  34           HA       HIS  34  -1.021   4.765   1.035
  271   1HB   HIS  34           HB2      HIS  34  -1.959   4.097   3.759
  272   2HB   HIS  34           HB1      HIS  34  -0.447   4.996   3.675
  273    HD1  HIS  34           HD1      HIS  34  -0.811   7.411   3.852
  274    HD2  HIS  34           HD2      HIS  34  -3.999   5.511   1.976
  275    HE1  HIS  34           HE1      HIS  34  -2.466   9.232   3.313
  276    HE2  HIS  34           HE2      HIS  34  -4.277   8.085   1.977
  277    H    CYS  35           HN       CYS  35   0.744   3.862   0.030
  278    HA   CYS  35           HA       CYS  35   2.507   2.197   1.664
  279   1HB   CYS  35           HB2      CYS  35   2.375   2.559  -1.331
  280   2HB   CYS  35           HB1      CYS  35   3.560   1.556  -0.498
  281    H    THR  36           HN       THR  36   4.078   3.222   2.633
  282    HA   THR  36           HA       THR  36   5.306   5.592   1.451
  283    HB   THR  36           HB       THR  36   5.992   4.222   4.067
  284    HG1  THR  36           HG1      THR  36   3.982   6.092   3.384
  285   1HG2  THR  36          3HG2      THR  36   7.693   5.770   3.235
  286   2HG2  THR  36          2HG2      THR  36   6.477   7.038   3.090
  287   3HG2  THR  36          1HG2      THR  36   6.908   6.409   4.680
  288    HA   PRO  37           HA       PRO  37   8.343   3.081  -0.603
  289   1HB   PRO  37           HB2      PRO  37  10.052   5.498  -0.333
  290   2HB   PRO  37           HB1      PRO  37   9.604   4.592  -1.783
  291   1HG   PRO  37           HG2      PRO  37   8.507   6.961  -1.282
  292   2HG   PRO  37           HG1      PRO  37   7.539   5.637  -1.960
  293   1HD   PRO  37           HD2      PRO  37   7.650   6.652   0.858
  294   2HD   PRO  37           HD1      PRO  37   6.244   6.133  -0.098
  295    H    LYS  38           HN       LYS  38  10.363   2.118  -0.238
  296    HA   LYS  38           HA       LYS  38  10.782   1.268   2.315
  297   1HB   LYS  38           HB2      LYS  38  11.644   0.027   0.459
  298   2HB   LYS  38           HB1      LYS  38  12.758   1.326   0.033
  299   1HG   LYS  38           HG2      LYS  38  13.912  -0.493   1.147
  300   2HG   LYS  38           HG1      LYS  38  13.936   0.959   2.157
  301   1HD   LYS  38           HD2      LYS  38  11.661  -0.159   3.011
  302   2HD   LYS  38           HD1      LYS  38  12.546  -1.611   2.556
  303   1HE   LYS  38           HE2      LYS  38  12.860  -0.977   4.933
  304   2HE   LYS  38           HE1      LYS  38  14.365  -1.038   4.017
  305   1HZ   LYS  38           HZ2      LYS  38  12.900   1.506   4.370
  306   2HZ   LYS  38           HZ1      LYS  38  13.986   0.947   5.550
  307   3HZ   LYS  38           HZ3      LYS  38  14.528   1.265   3.977

  No H/Q in entry =         307
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1   3.670  10.925  -1.475
    2    H2   GLY   1           HT3      GLY   1   4.496  10.856   0.004
    3    H3   GLY   1           HT2      GLY   1   5.020   9.916  -1.304
    4   1HA   GLY   1           HA2      GLY   1   2.466   9.599   0.172
    5   2HA   GLY   1           HA1      GLY   1   3.859   8.527   0.260
    6    H    VAL   2           HN       VAL   2   3.739   6.758  -0.959
    7    HA   VAL   2           HA       VAL   2   2.706   6.880  -3.645
    8    HB   VAL   2           HB       VAL   2   3.597   4.450  -2.081
    9   1HG1  VAL   2          3HG1      VAL   2   3.250   4.892  -5.046
   10   2HG1  VAL   2          2HG1      VAL   2   3.908   3.438  -4.297
   11   3HG1  VAL   2          1HG1      VAL   2   2.228   3.894  -4.014
   12   1HG2  VAL   2          1HG2      VAL   2   5.385   6.097  -2.201
   13   2HG2  VAL   2          3HG2      VAL   2   5.745   4.716  -3.237
   14   3HG2  VAL   2          2HG2      VAL   2   5.171   6.226  -3.946
   15    H    ILE   3           HN       ILE   3   0.560   7.234  -3.627
   16    HA   ILE   3           HA       ILE   3  -1.142   5.382  -2.107
   17    HB   ILE   3           HB       ILE   3  -1.836   8.089  -3.263
   18   1HG1  ILE   3          2HG1      ILE   3  -0.386   8.330  -1.341
   19   2HG1  ILE   3          1HG1      ILE   3  -2.026   8.765  -0.874
   20   1HG2  ILE   3          1HG2      ILE   3  -3.490   6.213  -1.581
   21   2HG2  ILE   3          3HG2      ILE   3  -3.950   7.853  -2.041
   22   3HG2  ILE   3          2HG2      ILE   3  -3.758   6.609  -3.278
   23   1HD1  ILE   3          1HD1      ILE   3  -2.306   6.559   0.157
   24   2HD1  ILE   3          3HD1      ILE   3  -0.649   6.152  -0.291
   25   3HD1  ILE   3          2HD1      ILE   3  -0.956   7.455   0.856
   26    H    ILE   4           HN       ILE   4  -1.700   3.724  -3.349
   27    HA   ILE   4           HA       ILE   4  -2.356   4.236  -6.156
   28    HB   ILE   4           HB       ILE   4  -2.359   1.784  -6.439
   29   1HG1  ILE   4          2HG1      ILE   4  -1.520   1.768  -3.529
   30   2HG1  ILE   4          1HG1      ILE   4  -2.989   1.069  -4.202
   31   1HG2  ILE   4          1HG2      ILE   4   0.129   2.920  -5.175
   32   2HG2  ILE   4          3HG2      ILE   4   0.064   1.480  -6.193
   33   3HG2  ILE   4          2HG2      ILE   4  -0.342   3.058  -6.870
   34   1HD1  ILE   4          1HD1      ILE   4  -0.183   0.144  -4.800
   35   2HD1  ILE   4          3HD1      ILE   4  -1.315  -0.634  -3.694
   36   3HD1  ILE   4          2HD1      ILE   4  -1.670  -0.574  -5.419
   37    H    ASN   5           HN       ASN   5  -4.369   3.905  -6.985
   38    HA   ASN   5           HA       ASN   5  -6.482   4.122  -5.040
   39   1HB   ASN   5           HB2      ASN   5  -7.932   4.643  -6.935
   40   2HB   ASN   5           HB1      ASN   5  -6.466   5.612  -6.978
   41   1HD2  ASN   5          1HD2      ASN   5  -8.372   4.839  -9.084
   42   2HD2  ASN   5          2HD2      ASN   5  -7.412   4.099 -10.320
   43    H    VAL   6           HN       VAL   6  -5.176   1.562  -5.255
   44    HA   VAL   6           HA       VAL   6  -7.256  -0.220  -6.235
   45    HB   VAL   6           HB       VAL   6  -4.748  -0.832  -4.638
   46   1HG1  VAL   6          2HG1      VAL   6  -6.470  -2.549  -4.376
   47   2HG1  VAL   6          1HG1      VAL   6  -6.611  -2.686  -6.127
   48   3HG1  VAL   6          3HG1      VAL   6  -5.113  -3.154  -5.324
   49   1HG2  VAL   6          2HG2      VAL   6  -5.281  -1.040  -7.601
   50   2HG2  VAL   6          1HG2      VAL   6  -4.182   0.085  -6.806
   51   3HG2  VAL   6          3HG2      VAL   6  -3.840  -1.646  -6.782
   52    H    LYS   7           HN       LYS   7  -8.809  -1.158  -4.901
   53    HA   LYS   7           HA       LYS   7  -9.108   0.119  -2.342
   54   1HB   LYS   7           HB2      LYS   7 -10.988  -0.645  -4.018
   55   2HB   LYS   7           HB1      LYS   7 -10.859  -2.166  -3.140
   56   1HG   LYS   7           HG2      LYS   7 -11.372   0.514  -1.854
   57   2HG   LYS   7           HG1      LYS   7 -12.621  -0.660  -2.260
   58   1HD   LYS   7           HD2      LYS   7 -12.020  -2.087  -0.573
   59   2HD   LYS   7           HD1      LYS   7 -10.334  -1.576  -0.594
   60   1HE   LYS   7           HE2      LYS   7 -10.939   0.524   0.487
   61   2HE   LYS   7           HE1      LYS   7 -12.639   0.052   0.473
   62   1HZ   LYS   7           HZ3      LYS   7 -10.481  -1.398   1.914
   63   2HZ   LYS   7           HZ2      LYS   7 -11.574  -0.324   2.633
   64   3HZ   LYS   7           HZ1      LYS   7 -12.134  -1.775   1.947
   65    H    CYS   8           HN       CYS   8  -8.144  -0.475  -0.642
   66    HA   CYS   8           HA       CYS   8  -6.771  -2.937  -0.317
   67   1HB   CYS   8           HB2      CYS   8  -6.325  -1.968   1.966
   68   2HB   CYS   8           HB1      CYS   8  -5.866  -0.935   0.613
   69    H    LYS   9           HN       LYS   9  -8.531  -4.538  -0.492
   70    HA   LYS   9           HA       LYS   9 -10.584  -4.666   1.479
   71   1HB   LYS   9           HB2      LYS   9  -9.371  -6.658  -0.408
   72   2HB   LYS   9           HB1      LYS   9 -10.427  -7.224   0.877
   73   1HG   LYS   9           HG2      LYS   9 -11.702  -6.956  -1.137
   74   2HG   LYS   9           HG1      LYS   9 -12.206  -5.738   0.034
   75   1HD   LYS   9           HD2      LYS   9 -10.760  -4.090  -1.118
   76   2HD   LYS   9           HD1      LYS   9 -10.368  -5.319  -2.321
   77   1HE   LYS   9           HE2      LYS   9 -13.141  -4.294  -1.724
   78   2HE   LYS   9           HE1      LYS   9 -12.139  -3.775  -3.077
   79   1HZ   LYS   9           HZ2      LYS   9 -12.974  -6.594  -2.643
   80   2HZ   LYS   9           HZ1      LYS   9 -13.823  -5.504  -3.624
   81   3HZ   LYS   9           HZ3      LYS   9 -12.233  -5.936  -4.023
   82    H    ILE  10           HN       ILE  10  -7.303  -5.022   1.585
   83    HA   ILE  10           HA       ILE  10  -7.169  -5.568   4.362
   84    HB   ILE  10           HB       ILE  10  -5.502  -7.538   4.004
   85   1HG1  ILE  10          2HG1      ILE  10  -7.306  -7.932   1.610
   86   2HG1  ILE  10          1HG1      ILE  10  -5.600  -7.506   1.540
   87   1HG2  ILE  10          1HG2      ILE  10  -8.484  -7.909   3.974
   88   2HG2  ILE  10          3HG2      ILE  10  -7.329  -9.199   4.306
   89   3HG2  ILE  10          2HG2      ILE  10  -7.422  -7.801   5.378
   90   1HD1  ILE  10          2HD1      ILE  10  -5.053  -9.643   2.633
   91   2HD1  ILE  10          1HD1      ILE  10  -6.766 -10.064   2.609
   92   3HD1  ILE  10          3HD1      ILE  10  -5.890  -9.855   1.094
   93    H    SER  11           HN       SER  11  -5.006  -5.159   5.157
   94    HA   SER  11           HA       SER  11  -3.684  -3.206   3.621
   95   1HB   SER  11           HB2      SER  11  -2.726  -4.693   6.076
   96   2HB   SER  11           HB1      SER  11  -1.995  -3.224   5.428
   97    HG   SER  11           HG       SER  11  -4.490  -3.590   6.676
   98    H    ARG  12           HN       ARG  12  -2.671  -6.521   4.460
   99    HA   ARG  12           HA       ARG  12  -0.152  -6.351   3.274
  100   1HB   ARG  12           HB2      ARG  12  -0.122  -8.817   3.370
  101   2HB   ARG  12           HB1      ARG  12  -0.613  -8.060   4.878
  102   1HG   ARG  12           HG2      ARG  12  -2.935  -8.593   4.416
  103   2HG   ARG  12           HG1      ARG  12  -2.482  -9.288   2.857
  104   1HD   ARG  12           HD2      ARG  12  -1.537 -10.271   5.552
  105   2HD   ARG  12           HD1      ARG  12  -2.816 -11.011   4.587
  106    HE   ARG  12           HE       ARG  12  -1.025 -11.322   2.844
  107   1HH1  ARG  12          1HH1      ARG  12  -0.247 -11.166   6.262
  108   2HH1  ARG  12          2HH1      ARG  12   1.188 -12.137   6.113
  109   1HH2  ARG  12          1HH2      ARG  12   0.893 -12.551   2.639
  110   2HH2  ARG  12          2HH2      ARG  12   1.852 -12.901   4.052
  111    H    GLN  13           HN       GLN  13  -3.205  -6.722   1.685
  112    HA   GLN  13           HA       GLN  13  -2.157  -8.085  -0.611
  113   1HB   GLN  13           HB2      GLN  13  -4.247  -7.792  -1.637
  114   2HB   GLN  13           HB1      GLN  13  -4.631  -7.956   0.067
  115   1HG   GLN  13           HG2      GLN  13  -5.048  -5.659   0.287
  116   2HG   GLN  13           HG1      GLN  13  -4.335  -5.306  -1.285
  117   1HE2  GLN  13          1HE2      GLN  13  -5.483  -5.771  -3.150
  118   2HE2  GLN  13          2HE2      GLN  13  -7.192  -6.044  -3.125
  119    H    CYS  14           HN       CYS  14  -2.307  -4.812   0.475
  120    HA   CYS  14           HA       CYS  14  -1.482  -3.757  -2.118
  121   1HB   CYS  14           HB2      CYS  14  -1.789  -2.285   0.501
  122   2HB   CYS  14           HB1      CYS  14  -1.696  -1.581  -1.107
  123    H    LEU  15           HN       LEU  15  -0.280  -4.447   1.089
  124    HA   LEU  15           HA       LEU  15   2.120  -2.997   0.915
  125   1HB   LEU  15           HB2      LEU  15   1.304  -3.684   3.061
  126   2HB   LEU  15           HB1      LEU  15   1.387  -5.377   2.604
  127    HG   LEU  15           HG       LEU  15   3.858  -5.162   2.414
  128   1HD1  LEU  15          3HD1      LEU  15   3.343  -2.424   3.556
  129   2HD1  LEU  15          2HD1      LEU  15   4.924  -3.201   3.487
  130   3HD1  LEU  15          1HD1      LEU  15   4.068  -2.806   1.995
  131   1HD2  LEU  15          3HD2      LEU  15   2.795  -6.046   4.437
  132   2HD2  LEU  15          2HD2      LEU  15   4.274  -5.165   4.815
  133   3HD2  LEU  15          1HD2      LEU  15   2.705  -4.414   5.101
  134    H    LYS  16           HN       LYS  16   1.374  -6.376   0.054
  135    HA   LYS  16           HA       LYS  16   4.027  -7.189  -0.220
  136   1HB   LYS  16           HB2      LYS  16   2.238  -8.829  -0.184
  137   2HB   LYS  16           HB1      LYS  16   1.626  -8.243  -1.724
  138   1HG   LYS  16           HG2      LYS  16   2.934 -10.305  -1.960
  139   2HG   LYS  16           HG1      LYS  16   3.647  -8.955  -2.842
  140   1HD   LYS  16           HD2      LYS  16   5.105  -8.593  -0.779
  141   2HD   LYS  16           HD1      LYS  16   4.564 -10.187  -0.254
  142   1HE   LYS  16           HE2      LYS  16   5.970  -9.573  -2.848
  143   2HE   LYS  16           HE1      LYS  16   6.728 -10.261  -1.417
  144   1HZ   LYS  16           HZ2      LYS  16   5.249 -12.178  -1.621
  145   2HZ   LYS  16           HZ1      LYS  16   4.574 -11.523  -3.032
  146   3HZ   LYS  16           HZ3      LYS  16   6.204 -11.976  -3.001
  147    HA   PRO  17           HA       PRO  17   3.897  -5.941  -4.897
  148   1HB   PRO  17           HB2      PRO  17   1.807  -3.858  -4.977
  149   2HB   PRO  17           HB1      PRO  17   2.119  -5.181  -6.106
  150   1HG   PRO  17           HG2      PRO  17  -0.003  -5.224  -4.480
  151   2HG   PRO  17           HG1      PRO  17   0.903  -6.705  -4.857
  152   1HD   PRO  17           HD2      PRO  17   1.047  -4.966  -2.416
  153   2HD   PRO  17           HD1      PRO  17   0.983  -6.733  -2.527
  154    H    CYS  18           HN       CYS  18   3.245  -3.738  -2.260
  155    HA   CYS  18           HA       CYS  18   4.681  -1.562  -3.507
  156   1HB   CYS  18           HB2      CYS  18   3.362  -1.884  -0.816
  157   2HB   CYS  18           HB1      CYS  18   4.319  -0.463  -1.226
  158    H    LYS  19           HN       LYS  19   5.185  -3.635  -0.638
  159    HA   LYS  19           HA       LYS  19   7.724  -2.603  -0.003
  160   1HB   LYS  19           HB2      LYS  19   6.101  -4.060   1.393
  161   2HB   LYS  19           HB1      LYS  19   6.864  -5.426   0.588
  162   1HG   LYS  19           HG2      LYS  19   9.005  -4.826   1.493
  163   2HG   LYS  19           HG1      LYS  19   8.337  -3.348   2.189
  164   1HD   LYS  19           HD2      LYS  19   6.753  -4.856   3.484
  165   2HD   LYS  19           HD1      LYS  19   7.787  -6.195   2.978
  166   1HE   LYS  19           HE2      LYS  19   9.713  -5.086   3.999
  167   2HE   LYS  19           HE1      LYS  19   8.669  -3.763   4.516
  168   1HZ   LYS  19           HZ2      LYS  19   7.420  -5.326   5.878
  169   2HZ   LYS  19           HZ1      LYS  19   8.428  -6.595   5.382
  170   3HZ   LYS  19           HZ3      LYS  19   9.060  -5.325   6.312
  171    H    ASP  20           HN       ASP  20   6.656  -5.033  -2.264
  172    HA   ASP  20           HA       ASP  20   9.125  -6.266  -2.820
  173   1HB   ASP  20           HB2      ASP  20   6.921  -7.117  -3.604
  174   2HB   ASP  20           HB1      ASP  20   6.821  -5.764  -4.724
  175    H    ALA  21           HN       ALA  21   7.519  -3.451  -4.253
  176    HA   ALA  21           HA       ALA  21   9.650  -2.847  -6.055
  177   1HB   ALA  21           HB3      ALA  21   7.338  -2.160  -6.498
  178   2HB   ALA  21           HB1      ALA  21   8.429  -0.775  -6.482
  179   3HB   ALA  21           HB2      ALA  21   7.385  -1.091  -5.096
  180    H    GLY  22           HN       GLY  22   8.617  -1.602  -2.912
  181   1HA   GLY  22           HA1      GLY  22  11.006   0.086  -2.759
  182   2HA   GLY  22           HA2      GLY  22  10.839  -1.198  -1.568
  183    H    MET  23           HN       MET  23   8.286  -1.170  -0.854
  184    HA   MET  23           HA       MET  23   8.064   1.458   0.419
  185   1HB   MET  23           HB2      MET  23   5.815  -0.193  -0.731
  186   2HB   MET  23           HB1      MET  23   5.556   1.101   0.433
  187   1HG   MET  23           HG2      MET  23   5.168   2.122  -1.601
  188   2HG   MET  23           HG1      MET  23   6.828   2.569  -1.214
  189   1HE   MET  23           HE3      MET  23   5.532   2.818  -4.147
  190   2HE   MET  23           HE2      MET  23   7.191   3.293  -3.783
  191   3HE   MET  23           HE1      MET  23   6.862   2.220  -5.143
  192    H    ARG  24           HN       ARG  24   8.743   1.038   2.382
  193    HA   ARG  24           HA       ARG  24   8.646  -1.272   3.822
  194   1HB   ARG  24           HB2      ARG  24   9.475   0.036   5.526
  195   2HB   ARG  24           HB1      ARG  24   9.870   0.980   4.104
  196   1HG   ARG  24           HG2      ARG  24   8.212   2.555   4.535
  197   2HG   ARG  24           HG1      ARG  24   7.385   1.510   5.694
  198   1HD   ARG  24           HD2      ARG  24  10.132   2.692   6.068
  199   2HD   ARG  24           HD1      ARG  24   8.647   3.326   6.779
  200    HE   ARG  24           HE       ARG  24   8.659   0.761   7.617
  201   1HH1  ARG  24          1HH1      ARG  24  11.076   3.293   7.720
  202   2HH1  ARG  24          2HH1      ARG  24  11.811   2.703   9.186
  203   1HH2  ARG  24          1HH2      ARG  24   9.607  -0.015   9.531
  204   2HH2  ARG  24          2HH2      ARG  24  10.975   0.821  10.217
  205    H    PHE  25           HN       PHE  25   6.100   1.094   3.366
  206    HA   PHE  25           HA       PHE  25   4.399  -0.526   5.142
  207   1HB   PHE  25           HB2      PHE  25   4.403   2.471   4.807
  208   2HB   PHE  25           HB1      PHE  25   3.052   1.600   5.513
  209    HD1  PHE  25           HD1      PHE  25   4.191  -0.326   7.262
  210    HD2  PHE  25           HD2      PHE  25   5.541   3.619   6.424
  211    HE1  PHE  25           HE1      PHE  25   5.295  -0.245   9.461
  212    HE2  PHE  25           HE2      PHE  25   6.646   3.711   8.620
  213    HZ   PHE  25           HZ       PHE  25   6.493   1.794  10.155
  214    H    GLY  26           HN       GLY  26   2.119  -0.466   4.609
  215   1HA   GLY  26           HA1      GLY  26   1.596  -1.212   1.983
  216   2HA   GLY  26           HA2      GLY  26   1.132   0.480   2.138
  217    H    LYS  27           HN       LYS  27  -0.127   0.879   4.288
  218    HA   LYS  27           HA       LYS  27  -1.758  -1.421   5.036
  219   1HB   LYS  27           HB2      LYS  27  -1.366   1.243   6.404
  220   2HB   LYS  27           HB1      LYS  27  -2.370  -0.065   7.013
  221   1HG   LYS  27           HG2      LYS  27  -0.399  -1.489   7.219
  222   2HG   LYS  27           HG1      LYS  27   0.609  -0.184   6.589
  223   1HD   LYS  27           HD2      LYS  27  -0.044   1.221   8.491
  224   2HD   LYS  27           HD1      LYS  27  -1.021  -0.104   9.126
  225   1HE   LYS  27           HE2      LYS  27   0.987  -1.490   9.322
  226   2HE   LYS  27           HE1      LYS  27   1.961  -0.169   8.679
  227   1HZ   LYS  27           HZ1      LYS  27   1.304   1.182  10.585
  228   2HZ   LYS  27           HZ3      LYS  27   0.408  -0.116  11.213
  229   3HZ   LYS  27           HZ2      LYS  27   2.096  -0.236  11.076
  230    H    CYS  28           HN       CYS  28  -3.996  -1.233   5.241
  231    HA   CYS  28           HA       CYS  28  -5.195   0.348   3.173
  232   1HB   CYS  28           HB2      CYS  28  -6.012  -1.891   3.544
  233   2HB   CYS  28           HB1      CYS  28  -6.381  -1.521   5.220
  234    H    MET  29           HN       MET  29  -5.693   2.401   3.446
  235    HA   MET  29           HA       MET  29  -6.860   3.273   5.988
  236   1HB   MET  29           HB2      MET  29  -4.607   4.721   4.576
  237   2HB   MET  29           HB1      MET  29  -5.480   5.311   5.983
  238   1HG   MET  29           HG2      MET  29  -4.618   3.474   7.312
  239   2HG   MET  29           HG1      MET  29  -3.787   2.824   5.900
  240   1HE   MET  29           HE3      MET  29  -1.541   2.753   7.344
  241   2HE   MET  29           HE2      MET  29  -0.862   4.161   8.163
  242   3HE   MET  29           HE1      MET  29  -2.378   3.459   8.726
  243    H    ASN  30           HN       ASN  30  -8.684   4.336   5.608
  244    HA   ASN  30           HA       ASN  30 -10.233   5.729   4.705
  245   1HB   ASN  30           HB2      ASN  30  -8.332   7.312   4.512
  246   2HB   ASN  30           HB1      ASN  30  -7.985   6.678   2.909
  247   1HD2  ASN  30          1HD2      ASN  30 -10.149   8.587   4.837
  248   2HD2  ASN  30          2HD2      ASN  30 -10.997   9.328   3.518
  249    H    GLY  31           HN       GLY  31  -8.805   3.256   3.061
  250   1HA   GLY  31           HA1      GLY  31 -10.757   3.458   0.856
  251   2HA   GLY  31           HA2      GLY  31 -10.263   1.944   1.598
  252    H    LYS  32           HN       LYS  32  -7.736   4.169   1.214
  253    HA   LYS  32           HA       LYS  32  -6.925   2.995  -1.356
  254   1HB   LYS  32           HB2      LYS  32  -5.915   5.426   0.126
  255   2HB   LYS  32           HB1      LYS  32  -5.168   4.798  -1.335
  256   1HG   LYS  32           HG2      LYS  32  -6.487   6.382  -2.274
  257   2HG   LYS  32           HG1      LYS  32  -7.663   5.066  -2.238
  258   1HD   LYS  32           HD2      LYS  32  -8.566   5.926  -0.136
  259   2HD   LYS  32           HD1      LYS  32  -7.377   7.228  -0.147
  260   1HE   LYS  32           HE2      LYS  32  -8.355   7.914  -2.382
  261   2HE   LYS  32           HE1      LYS  32  -9.667   6.786  -2.048
  262   1HZ   LYS  32           HZ3      LYS  32  -9.960   8.059   0.108
  263   2HZ   LYS  32           HZ2      LYS  32  -8.952   9.244  -0.561
  264   3HZ   LYS  32           HZ1      LYS  32 -10.422   8.869  -1.312
  265    H    CYS  33           HN       CYS  33  -4.692   2.355  -1.612
  266    HA   CYS  33           HA       CYS  33  -3.672   1.039   0.775
  267   1HB   CYS  33           HB2      CYS  33  -2.638   0.915  -2.068
  268   2HB   CYS  33           HB1      CYS  33  -2.181  -0.145  -0.741
  269    H    HIS  34           HN       HIS  34  -2.764   2.593   1.992
  270    HA   HIS  34           HA       HIS  34  -1.092   4.661   0.928
  271   1HB   HIS  34           HB2      HIS  34  -1.869   3.760   3.684
  272   2HB   HIS  34           HB1      HIS  34  -0.645   5.006   3.452
  273    HD1  HIS  34           HD1      HIS  34  -4.171   4.420   2.091
  274    HD2  HIS  34           HD2      HIS  34  -1.773   7.423   3.664
  275    HE1  HIS  34           HE1      HIS  34  -5.595   6.485   2.099
  276    HE2  HIS  34           HE2      HIS  34  -4.193   8.215   3.263
  277    H    CYS  35           HN       CYS  35   0.678   3.726  -0.082
  278    HA   CYS  35           HA       CYS  35   2.334   1.945   1.532
  279   1HB   CYS  35           HB2      CYS  35   2.480   2.638  -1.405
  280   2HB   CYS  35           HB1      CYS  35   3.551   1.513  -0.576
  281    H    THR  36           HN       THR  36   3.725   2.911   2.777
  282    HA   THR  36           HA       THR  36   5.025   5.398   2.001
  283    HB   THR  36           HB       THR  36   5.565   3.766   4.492
  284    HG1  THR  36           HG1      THR  36   3.383   5.446   3.843
  285   1HG2  THR  36          2HG2      THR  36   7.128   5.597   4.007
  286   2HG2  THR  36          1HG2      THR  36   5.779   6.726   3.922
  287   3HG2  THR  36          3HG2      THR  36   6.172   5.938   5.449
  288    HA   PRO  37           HA       PRO  37   8.163   3.082   0.009
  289   1HB   PRO  37           HB2      PRO  37   9.933   5.385   0.066
  290   2HB   PRO  37           HB1      PRO  37   9.032   4.715  -1.296
  291   1HG   PRO  37           HG2      PRO  37   8.445   7.119  -0.176
  292   2HG   PRO  37           HG1      PRO  37   7.229   6.088  -0.950
  293   1HD   PRO  37           HD2      PRO  37   7.857   6.406   1.968
  294   2HD   PRO  37           HD1      PRO  37   6.272   6.332   1.160
  295    H    LYS  38           HN       LYS  38  10.135   2.094   0.295
  296    HA   LYS  38           HA       LYS  38  11.181   2.274   3.021
  297   1HB   LYS  38           HB2      LYS  38  10.276   0.105   2.154
  298   2HB   LYS  38           HB1      LYS  38  11.597   0.080   0.995
  299   1HG   LYS  38           HG2      LYS  38  13.198  -0.239   2.648
  300   2HG   LYS  38           HG1      LYS  38  12.112   0.297   3.935
  301   1HD   LYS  38           HD2      LYS  38  10.718  -1.674   3.578
  302   2HD   LYS  38           HD1      LYS  38  11.805  -2.215   2.296
  303   1HE   LYS  38           HE2      LYS  38  12.519  -1.860   5.207
  304   2HE   LYS  38           HE1      LYS  38  12.280  -3.395   4.372
  305   1HZ   LYS  38           HZ3      LYS  38  14.141  -2.657   2.858
  306   2HZ   LYS  38           HZ2      LYS  38  14.461  -1.427   3.983
  307   3HZ   LYS  38           HZ1      LYS  38  14.585  -3.052   4.449

  No H/Q in entry =         307
  Start of MODEL    7
    1    H1   GLY   1           HT2      GLY   1   1.829  10.276  -0.068
    2    H2   GLY   1           HT1      GLY   1   3.234  10.959   0.586
    3    H3   GLY   1           HT3      GLY   1   2.956  11.026  -1.086
    4   1HA   GLY   1           HA2      GLY   1   3.445   8.569   0.505
    5   2HA   GLY   1           HA1      GLY   1   4.601   9.341  -0.573
    6    H    VAL   2           HN       VAL   2   3.989   6.718  -0.959
    7    HA   VAL   2           HA       VAL   2   2.966   6.823  -3.651
    8    HB   VAL   2           HB       VAL   2   3.854   4.394  -2.081
    9   1HG1  VAL   2          3HG1      VAL   2   3.504   4.857  -5.038
   10   2HG1  VAL   2          2HG1      VAL   2   4.240   3.424  -4.325
   11   3HG1  VAL   2          1HG1      VAL   2   2.545   3.795  -4.012
   12   1HG2  VAL   2          2HG2      VAL   2   5.638   6.064  -2.174
   13   2HG2  VAL   2          1HG2      VAL   2   6.024   4.659  -3.169
   14   3HG2  VAL   2          3HG2      VAL   2   5.471   6.152  -3.928
   15    H    ILE   3           HN       ILE   3   0.805   7.116  -3.685
   16    HA   ILE   3           HA       ILE   3  -0.862   5.288  -2.102
   17    HB   ILE   3           HB       ILE   3  -1.751   7.767  -3.584
   18   1HG1  ILE   3          2HG1      ILE   3  -0.228   8.456  -1.833
   19   2HG1  ILE   3          1HG1      ILE   3  -1.873   8.826  -1.330
   20   1HG2  ILE   3          3HG2      ILE   3  -3.519   6.133  -3.214
   21   2HG2  ILE   3          2HG2      ILE   3  -3.133   6.090  -1.495
   22   3HG2  ILE   3          1HG2      ILE   3  -3.774   7.566  -2.216
   23   1HD1  ILE   3          1HD1      ILE   3  -1.884   6.841   0.087
   24   2HD1  ILE   3          3HD1      ILE   3  -0.236   6.471  -0.417
   25   3HD1  ILE   3          2HD1      ILE   3  -0.567   7.935   0.509
   26    H    ILE   4           HN       ILE   4  -1.728   3.607  -3.115
   27    HA   ILE   4           HA       ILE   4  -1.954   3.731  -6.041
   28    HB   ILE   4           HB       ILE   4  -2.015   1.275  -6.022
   29   1HG1  ILE   4          2HG1      ILE   4  -1.512   1.556  -3.049
   30   2HG1  ILE   4          1HG1      ILE   4  -2.981   0.929  -3.787
   31   1HG2  ILE   4          2HG2      ILE   4   0.102   2.429  -6.301
   32   2HG2  ILE   4          1HG2      ILE   4   0.327   2.470  -4.552
   33   3HG2  ILE   4          3HG2      ILE   4   0.332   0.927  -5.406
   34   1HD1  ILE   4          2HD1      ILE   4  -0.248  -0.319  -3.973
   35   2HD1  ILE   4          1HD1      ILE   4  -1.573  -0.862  -2.945
   36   3HD1  ILE   4          3HD1      ILE   4  -1.723  -0.953  -4.701
   37    H    ASN   5           HN       ASN   5  -3.844   3.262  -7.058
   38    HA   ASN   5           HA       ASN   5  -6.209   3.832  -5.525
   39   1HB   ASN   5           HB2      ASN   5  -5.814   3.299  -8.476
   40   2HB   ASN   5           HB1      ASN   5  -7.340   3.784  -7.750
   41   1HD2  ASN   5          1HD2      ASN   5  -7.403   5.642  -8.988
   42   2HD2  ASN   5          2HD2      ASN   5  -6.390   7.004  -8.658
   43    H    VAL   6           HN       VAL   6  -4.940   1.232  -5.042
   44    HA   VAL   6           HA       VAL   6  -6.944  -0.666  -5.980
   45    HB   VAL   6           HB       VAL   6  -4.591  -1.088  -4.112
   46   1HG1  VAL   6          3HG1      VAL   6  -6.384  -2.724  -3.775
   47   2HG1  VAL   6          2HG1      VAL   6  -6.364  -3.100  -5.497
   48   3HG1  VAL   6          1HG1      VAL   6  -4.960  -3.471  -4.498
   49   1HG2  VAL   6          3HG2      VAL   6  -4.901  -1.696  -7.050
   50   2HG2  VAL   6          2HG2      VAL   6  -3.850  -0.473  -6.337
   51   3HG2  VAL   6          1HG2      VAL   6  -3.534  -2.185  -6.048
   52    H    LYS   7           HN       LYS   7  -8.566  -1.500  -4.651
   53    HA   LYS   7           HA       LYS   7  -9.122   0.047  -2.277
   54   1HB   LYS   7           HB2      LYS   7 -10.809  -0.913  -4.079
   55   2HB   LYS   7           HB1      LYS   7 -10.782  -2.323  -3.026
   56   1HG   LYS   7           HG2      LYS   7 -11.423   0.473  -2.110
   57   2HG   LYS   7           HG1      LYS   7 -12.625  -0.744  -2.539
   58   1HD   LYS   7           HD2      LYS   7 -12.215  -2.011  -0.672
   59   2HD   LYS   7           HD1      LYS   7 -10.552  -1.440  -0.513
   60   1HE   LYS   7           HE2      LYS   7 -12.021  -0.603   1.278
   61   2HE   LYS   7           HE1      LYS   7 -11.327   0.696   0.310
   62   1HZ   LYS   7           HZ1      LYS   7 -14.063  -0.403  -0.051
   63   2HZ   LYS   7           HZ3      LYS   7 -13.691   1.013   0.809
   64   3HZ   LYS   7           HZ2      LYS   7 -13.391   0.935  -0.858
   65    H    CYS   8           HN       CYS   8  -8.360  -0.434  -0.396
   66    HA   CYS   8           HA       CYS   8  -6.920  -2.878   0.035
   67   1HB   CYS   8           HB2      CYS   8  -6.280  -1.781   2.161
   68   2HB   CYS   8           HB1      CYS   8  -6.004  -0.759   0.755
   69    H    LYS   9           HN       LYS   9  -8.718  -4.432   0.031
   70    HA   LYS   9           HA       LYS   9 -10.610  -4.352   2.195
   71   1HB   LYS   9           HB2      LYS   9  -9.826  -6.419   0.174
   72   2HB   LYS   9           HB1      LYS   9 -10.742  -6.916   1.588
   73   1HG   LYS   9           HG2      LYS   9 -12.279  -6.531  -0.186
   74   2HG   LYS   9           HG1      LYS   9 -12.469  -5.226   0.983
   75   1HD   LYS   9           HD2      LYS   9 -12.485  -4.081  -1.021
   76   2HD   LYS   9           HD1      LYS   9 -10.790  -3.967  -0.553
   77   1HE   LYS   9           HE2      LYS   9 -11.921  -6.026  -2.444
   78   2HE   LYS   9           HE1      LYS   9 -11.134  -4.533  -2.943
   79   1HZ   LYS   9           HZ3      LYS   9  -9.110  -5.298  -1.836
   80   2HZ   LYS   9           HZ2      LYS   9  -9.877  -6.750  -1.412
   81   3HZ   LYS   9           HZ1      LYS   9  -9.608  -6.380  -3.041
   82    H    ILE  10           HN       ILE  10  -7.410  -4.851   1.941
   83    HA   ILE  10           HA       ILE  10  -6.902  -5.614   4.611
   84    HB   ILE  10           HB       ILE  10  -5.497  -7.681   3.905
   85   1HG1  ILE  10          2HG1      ILE  10  -7.620  -7.760   1.750
   86   2HG1  ILE  10          1HG1      ILE  10  -5.906  -7.465   1.481
   87   1HG2  ILE  10          1HG2      ILE  10  -7.325  -7.812   5.488
   88   2HG2  ILE  10          3HG2      ILE  10  -8.488  -7.913   4.166
   89   3HG2  ILE  10          2HG2      ILE  10  -7.330  -9.217   4.424
   90   1HD1  ILE  10          3HD1      ILE  10  -7.087  -9.993   2.606
   91   2HD1  ILE  10          2HD1      ILE  10  -6.547  -9.757   0.944
   92   3HD1  ILE  10          1HD1      ILE  10  -5.383  -9.701   2.270
   93    H    SER  11           HN       SER  11  -4.782  -5.074   5.103
   94    HA   SER  11           HA       SER  11  -3.507  -3.413   3.171
   95   1HB   SER  11           HB2      SER  11  -2.448  -4.334   5.857
   96   2HB   SER  11           HB1      SER  11  -1.884  -2.945   4.924
   97    HG   SER  11           HG       SER  11  -4.344  -3.306   6.270
   98    H    ARG  12           HN       ARG  12  -3.259  -6.735   3.860
   99    HA   ARG  12           HA       ARG  12  -0.516  -7.124   3.255
  100   1HB   ARG  12           HB2      ARG  12  -2.772  -9.114   2.983
  101   2HB   ARG  12           HB1      ARG  12  -1.057  -9.488   3.067
  102   1HG   ARG  12           HG2      ARG  12  -2.815  -8.400   5.244
  103   2HG   ARG  12           HG1      ARG  12  -1.990  -9.958   5.188
  104   1HD   ARG  12           HD2      ARG  12  -0.663  -7.256   5.341
  105   2HD   ARG  12           HD1      ARG  12  -0.872  -8.376   6.681
  106    HE   ARG  12           HE       ARG  12   0.639  -9.293   4.344
  107   1HH1  ARG  12          1HH1      ARG  12   0.566  -8.279   7.699
  108   2HH1  ARG  12          2HH1      ARG  12   2.230  -8.697   8.003
  109   1HH2  ARG  12          1HH2      ARG  12   2.818  -9.897   4.745
  110   2HH2  ARG  12          2HH2      ARG  12   3.504  -9.636   6.323
  111    H    GLN  13           HN       GLN  13  -3.423  -6.933   1.316
  112    HA   GLN  13           HA       GLN  13  -2.219  -8.033  -1.046
  113   1HB   GLN  13           HB2      GLN  13  -4.271  -7.536  -2.150
  114   2HB   GLN  13           HB1      GLN  13  -4.685  -8.090  -0.536
  115   1HG   GLN  13           HG2      GLN  13  -5.095  -5.852   0.187
  116   2HG   GLN  13           HG1      GLN  13  -4.551  -5.217  -1.363
  117   1HE2  GLN  13          1HE2      GLN  13  -5.844  -7.299  -2.907
  118   2HE2  GLN  13          2HE2      GLN  13  -7.540  -6.962  -2.861
  119    H    CYS  14           HN       CYS  14  -2.319  -4.970   0.457
  120    HA   CYS  14           HA       CYS  14  -1.688  -3.497  -1.963
  121   1HB   CYS  14           HB2      CYS  14  -1.727  -2.553   0.909
  122   2HB   CYS  14           HB1      CYS  14  -1.676  -1.538  -0.528
  123    H    LEU  15           HN       LEU  15  -0.098  -4.842   0.840
  124    HA   LEU  15           HA       LEU  15   2.269  -3.252   0.422
  125   1HB   LEU  15           HB2      LEU  15   1.129  -4.541   2.613
  126   2HB   LEU  15           HB1      LEU  15   2.626  -5.404   2.303
  127    HG   LEU  15           HG       LEU  15   2.523  -2.415   2.500
  128   1HD1  LEU  15          3HD1      LEU  15   1.648  -3.363   4.592
  129   2HD1  LEU  15          2HD1      LEU  15   3.072  -4.397   4.719
  130   3HD1  LEU  15          1HD1      LEU  15   3.240  -2.645   4.833
  131   1HD2  LEU  15          2HD2      LEU  15   4.485  -3.366   1.436
  132   2HD2  LEU  15          1HD2      LEU  15   4.893  -2.647   2.994
  133   3HD2  LEU  15          3HD2      LEU  15   4.759  -4.399   2.839
  134    H    LYS  16           HN       LYS  16   1.189  -6.468  -0.397
  135    HA   LYS  16           HA       LYS  16   3.663  -7.651  -0.867
  136   1HB   LYS  16           HB2      LYS  16   1.644  -8.973  -0.994
  137   2HB   LYS  16           HB1      LYS  16   1.078  -8.059  -2.378
  138   1HG   LYS  16           HG2      LYS  16   1.948 -10.230  -3.038
  139   2HG   LYS  16           HG1      LYS  16   2.905  -8.918  -3.726
  140   1HD   LYS  16           HD2      LYS  16   4.577  -9.221  -1.957
  141   2HD   LYS  16           HD1      LYS  16   3.619 -10.542  -1.283
  142   1HE   LYS  16           HE2      LYS  16   5.399 -11.466  -2.611
  143   2HE   LYS  16           HE1      LYS  16   3.865 -11.753  -3.429
  144   1HZ   LYS  16           HZ1      LYS  16   5.796  -9.596  -4.085
  145   2HZ   LYS  16           HZ3      LYS  16   5.571 -11.019  -4.973
  146   3HZ   LYS  16           HZ2      LYS  16   4.326  -9.873  -4.876
  147    HA   PRO  17           HA       PRO  17   3.826  -5.589  -5.206
  148   1HB   PRO  17           HB2      PRO  17   1.893  -3.404  -5.194
  149   2HB   PRO  17           HB1      PRO  17   2.099  -4.703  -6.370
  150   1HG   PRO  17           HG2      PRO  17  -0.038  -4.552  -4.722
  151   2HG   PRO  17           HG1      PRO  17   0.636  -6.095  -5.281
  152   1HD   PRO  17           HD2      PRO  17   1.019  -4.690  -2.663
  153   2HD   PRO  17           HD1      PRO  17   0.731  -6.409  -2.983
  154    H    CYS  18           HN       CYS  18   3.010  -3.563  -2.378
  155    HA   CYS  18           HA       CYS  18   4.536  -1.355  -3.380
  156   1HB   CYS  18           HB2      CYS  18   3.253  -1.895  -0.709
  157   2HB   CYS  18           HB1      CYS  18   4.199  -0.446  -1.029
  158    H    LYS  19           HN       LYS  19   5.075  -3.706  -0.739
  159    HA   LYS  19           HA       LYS  19   7.580  -2.717   0.016
  160   1HB   LYS  19           HB2      LYS  19   5.956  -4.397   1.163
  161   2HB   LYS  19           HB1      LYS  19   6.802  -5.614   0.218
  162   1HG   LYS  19           HG2      LYS  19   8.278  -3.690   1.965
  163   2HG   LYS  19           HG1      LYS  19   7.570  -5.175   2.610
  164   1HD   LYS  19           HD2      LYS  19   8.918  -6.522   1.196
  165   2HD   LYS  19           HD1      LYS  19   9.458  -5.120   0.269
  166   1HE   LYS  19           HE2      LYS  19  11.172  -5.856   1.820
  167   2HE   LYS  19           HE1      LYS  19  10.578  -4.245   2.224
  168   1HZ   LYS  19           HZ1      LYS  19   9.514  -6.676   3.537
  169   2HZ   LYS  19           HZ3      LYS  19  10.878  -5.858   4.129
  170   3HZ   LYS  19           HZ2      LYS  19   9.384  -5.060   4.040
  171    H    ASP  20           HN       ASP  20   6.565  -5.010  -2.430
  172    HA   ASP  20           HA       ASP  20   9.110  -6.050  -3.058
  173   1HB   ASP  20           HB2      ASP  20   6.928  -7.059  -3.746
  174   2HB   ASP  20           HB1      ASP  20   6.744  -5.756  -4.919
  175    H    ALA  21           HN       ALA  21   7.487  -3.106  -3.942
  176    HA   ALA  21           HA       ALA  21   9.519  -2.465  -5.940
  177   1HB   ALA  21           HB1      ALA  21   7.197  -2.042  -6.537
  178   2HB   ALA  21           HB2      ALA  21   8.112  -0.536  -6.474
  179   3HB   ALA  21           HB3      ALA  21   7.026  -0.962  -5.152
  180    H    GLY  22           HN       GLY  22   9.324  -2.276  -2.692
  181   1HA   GLY  22           HA1      GLY  22  11.177  -0.010  -2.630
  182   2HA   GLY  22           HA2      GLY  22  10.970  -1.207  -1.358
  183    H    MET  23           HN       MET  23   8.222  -1.106  -1.058
  184    HA   MET  23           HA       MET  23   8.058   1.476   0.291
  185   1HB   MET  23           HB2      MET  23   5.928  -0.072  -1.131
  186   2HB   MET  23           HB1      MET  23   5.495   0.940   0.242
  187   1HG   MET  23           HG2      MET  23   5.180   2.337  -1.567
  188   2HG   MET  23           HG1      MET  23   6.769   2.781  -0.957
  189   1HE   MET  23           HE2      MET  23   4.674   1.523  -3.870
  190   2HE   MET  23           HE1      MET  23   5.824   0.729  -4.948
  191   3HE   MET  23           HE3      MET  23   5.364  -0.040  -3.432
  192    H    ARG  24           HN       ARG  24   8.651   1.100   2.224
  193    HA   ARG  24           HA       ARG  24   8.615  -1.278   3.646
  194   1HB   ARG  24           HB2      ARG  24  10.034   0.070   4.716
  195   2HB   ARG  24           HB1      ARG  24   9.288   1.503   4.031
  196   1HG   ARG  24           HG2      ARG  24   9.150   1.787   6.350
  197   2HG   ARG  24           HG1      ARG  24   7.536   1.248   5.882
  198   1HD   ARG  24           HD2      ARG  24   8.090  -1.026   6.559
  199   2HD   ARG  24           HD1      ARG  24   9.720  -0.510   6.992
  200    HE   ARG  24           HE       ARG  24   8.443   1.044   8.611
  201   1HH1  ARG  24          1HH1      ARG  24   7.439  -2.177   7.682
  202   2HH1  ARG  24          2HH1      ARG  24   6.662  -2.516   9.193
  203   1HH2  ARG  24          1HH2      ARG  24   7.414   0.585  10.628
  204   2HH2  ARG  24          2HH2      ARG  24   6.648  -0.960  10.858
  205    H    PHE  25           HN       PHE  25   6.186   1.278   3.454
  206    HA   PHE  25           HA       PHE  25   4.457  -0.333   5.215
  207   1HB   PHE  25           HB2      PHE  25   4.584   2.599   4.678
  208   2HB   PHE  25           HB1      PHE  25   3.056   1.881   5.151
  209    HD1  PHE  25           HD1      PHE  25   3.122   0.413   7.306
  210    HD2  PHE  25           HD2      PHE  25   6.048   3.327   6.282
  211    HE1  PHE  25           HE1      PHE  25   3.823   0.534   9.663
  212    HE2  PHE  25           HE2      PHE  25   6.752   3.452   8.634
  213    HZ   PHE  25           HZ       PHE  25   5.526   2.115  10.355
  214    H    GLY  26           HN       GLY  26   2.180  -0.326   4.720
  215   1HA   GLY  26           HA1      GLY  26   1.472  -1.347   2.282
  216   2HA   GLY  26           HA2      GLY  26   1.204   0.389   2.133
  217    H    LYS  27           HN       LYS  27   0.111   1.290   4.219
  218    HA   LYS  27           HA       LYS  27  -1.602  -0.576   5.614
  219   1HB   LYS  27           HB2      LYS  27  -0.817   2.291   5.979
  220   2HB   LYS  27           HB1      LYS  27  -2.261   1.683   6.772
  221   1HG   LYS  27           HG2      LYS  27   0.472   0.469   7.097
  222   2HG   LYS  27           HG1      LYS  27  -0.226   1.668   8.190
  223   1HD   LYS  27           HD2      LYS  27  -2.215   0.026   8.342
  224   2HD   LYS  27           HD1      LYS  27  -1.084  -1.160   7.691
  225   1HE   LYS  27           HE2      LYS  27   0.422  -0.799   9.545
  226   2HE   LYS  27           HE1      LYS  27  -0.604   0.494  10.166
  227   1HZ   LYS  27           HZ3      LYS  27  -2.397  -1.217  10.387
  228   2HZ   LYS  27           HZ2      LYS  27  -1.235  -2.402  10.027
  229   3HZ   LYS  27           HZ1      LYS  27  -1.065  -1.445  11.417
  230    H    CYS  28           HN       CYS  28  -3.703  -0.811   5.288
  231    HA   CYS  28           HA       CYS  28  -5.059   0.538   3.191
  232   1HB   CYS  28           HB2      CYS  28  -5.792  -1.662   3.759
  233   2HB   CYS  28           HB1      CYS  28  -6.014  -1.213   5.445
  234    H    MET  29           HN       MET  29  -5.845   2.523   3.228
  235    HA   MET  29           HA       MET  29  -6.727   3.670   5.780
  236   1HB   MET  29           HB2      MET  29  -4.675   4.831   3.908
  237   2HB   MET  29           HB1      MET  29  -5.567   5.831   5.047
  238   1HG   MET  29           HG2      MET  29  -3.858   3.474   5.809
  239   2HG   MET  29           HG1      MET  29  -3.329   5.154   5.844
  240   1HE   MET  29           HE2      MET  29  -3.175   3.147   8.329
  241   2HE   MET  29           HE1      MET  29  -2.613   4.819   8.392
  242   3HE   MET  29           HE3      MET  29  -3.702   4.207   9.637
  243    H    ASN  30           HN       ASN  30  -8.826   3.998   5.380
  244    HA   ASN  30           HA       ASN  30 -10.692   5.037   4.600
  245   1HB   ASN  30           HB2      ASN  30  -8.606   6.890   3.445
  246   2HB   ASN  30           HB1      ASN  30 -10.331   7.195   3.299
  247   1HD2  ASN  30          1HD2      ASN  30  -8.915   5.734   6.136
  248   2HD2  ASN  30          2HD2      ASN  30  -9.148   7.084   7.189
  249    H    GLY  31           HN       GLY  31  -9.177   3.002   2.919
  250   1HA   GLY  31           HA1      GLY  31 -10.805   3.456   0.502
  251   2HA   GLY  31           HA2      GLY  31 -10.534   1.876   1.219
  252    H    LYS  32           HN       LYS  32  -7.930   4.154   1.004
  253    HA   LYS  32           HA       LYS  32  -6.910   2.823  -1.405
  254   1HB   LYS  32           HB2      LYS  32  -6.157   5.428  -0.078
  255   2HB   LYS  32           HB1      LYS  32  -5.217   4.711  -1.381
  256   1HG   LYS  32           HG2      LYS  32  -6.560   6.249  -2.471
  257   2HG   LYS  32           HG1      LYS  32  -7.440   4.737  -2.693
  258   1HD   LYS  32           HD2      LYS  32  -8.827   5.348  -0.703
  259   2HD   LYS  32           HD1      LYS  32  -8.026   6.922  -0.701
  260   1HE   LYS  32           HE2      LYS  32 -10.061   7.223  -1.864
  261   2HE   LYS  32           HE1      LYS  32  -8.795   7.174  -3.091
  262   1HZ   LYS  32           HZ3      LYS  32  -9.357   4.761  -3.363
  263   2HZ   LYS  32           HZ2      LYS  32 -10.712   5.026  -2.379
  264   3HZ   LYS  32           HZ1      LYS  32 -10.569   5.841  -3.860
  265    H    CYS  33           HN       CYS  33  -4.665   2.253  -1.496
  266    HA   CYS  33           HA       CYS  33  -3.685   1.260   1.066
  267   1HB   CYS  33           HB2      CYS  33  -2.505   0.805  -1.677
  268   2HB   CYS  33           HB1      CYS  33  -2.200  -0.119  -0.209
  269    H    HIS  34           HN       HIS  34  -2.533   2.652   2.184
  270    HA   HIS  34           HA       HIS  34  -1.019   4.749   0.834
  271   1HB   HIS  34           HB2      HIS  34  -1.871   4.278   3.680
  272   2HB   HIS  34           HB1      HIS  34  -0.645   5.480   3.295
  273    HD1  HIS  34           HD1      HIS  34  -2.120   7.436   4.047
  274    HD2  HIS  34           HD2      HIS  34  -3.810   5.131   1.016
  275    HE1  HIS  34           HE1      HIS  34  -4.093   8.751   3.208
  276    HE2  HIS  34           HE2      HIS  34  -4.988   7.425   1.260
  277    H    CYS  35           HN       CYS  35   0.805   3.833   0.038
  278    HA   CYS  35           HA       CYS  35   2.377   2.095   1.782
  279   1HB   CYS  35           HB2      CYS  35   2.629   2.637  -1.183
  280   2HB   CYS  35           HB1      CYS  35   3.575   1.465  -0.269
  281    H    THR  36           HN       THR  36   3.982   2.922   2.872
  282    HA   THR  36           HA       THR  36   5.233   5.420   2.015
  283    HB   THR  36           HB       THR  36   5.786   3.869   4.555
  284    HG1  THR  36           HG1      THR  36   4.164   6.109   4.723
  285   1HG2  THR  36          3HG2      THR  36   6.174   6.769   3.805
  286   2HG2  THR  36          2HG2      THR  36   6.492   6.077   5.395
  287   3HG2  THR  36          1HG2      THR  36   7.444   5.563   4.003
  288    HA   PRO  37           HA       PRO  37   8.389   3.080  -0.041
  289   1HB   PRO  37           HB2      PRO  37  10.307   5.093  -0.015
  290   2HB   PRO  37           HB1      PRO  37   9.051   4.886  -1.237
  291   1HG   PRO  37           HG2      PRO  37   9.116   6.709   1.123
  292   2HG   PRO  37           HG1      PRO  37   8.472   6.995  -0.504
  293   1HD   PRO  37           HD2      PRO  37   6.868   6.477   1.585
  294   2HD   PRO  37           HD1      PRO  37   6.495   5.890  -0.050
  295    H    LYS  38           HN       LYS  38  10.115   1.877   0.486
  296    HA   LYS  38           HA       LYS  38  10.763   1.418   3.159
  297   1HB   LYS  38           HB2      LYS  38  11.022  -0.203   1.292
  298   2HB   LYS  38           HB1      LYS  38  12.412   0.715   0.723
  299   1HG   LYS  38           HG2      LYS  38  13.286  -1.096   1.936
  300   2HG   LYS  38           HG1      LYS  38  13.425   0.299   3.014
  301   1HD   LYS  38           HD2      LYS  38  11.255  -0.387   4.035
  302   2HD   LYS  38           HD1      LYS  38  11.329  -1.858   3.062
  303   1HE   LYS  38           HE2      LYS  38  12.163  -2.269   5.319
  304   2HE   LYS  38           HE1      LYS  38  13.457  -2.453   4.134
  305   1HZ   LYS  38           HZ3      LYS  38  12.998   0.013   5.730
  306   2HZ   LYS  38           HZ2      LYS  38  14.111  -1.197   6.150
  307   3HZ   LYS  38           HZ1      LYS  38  14.318  -0.311   4.719

  No H/Q in entry =         307
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1   3.446   9.988  -1.312
    2    H2   GLY   1           HT3      GLY   1   4.722  10.097  -0.207
    3    H3   GLY   1           HT2      GLY   1   5.041   9.738  -1.830
    4   1HA   GLY   1           HA2      GLY   1   3.623   8.022   0.127
    5   2HA   GLY   1           HA1      GLY   1   5.221   7.738  -0.554
    6    H    VAL   2           HN       VAL   2   3.878   5.646  -0.980
    7    HA   VAL   2           HA       VAL   2   3.100   5.793  -3.789
    8    HB   VAL   2           HB       VAL   2   3.378   3.331  -2.050
    9   1HG1  VAL   2          2HG1      VAL   2   2.027   2.995  -4.050
   10   2HG1  VAL   2          1HG1      VAL   2   3.320   3.658  -5.049
   11   3HG1  VAL   2          3HG1      VAL   2   3.565   2.143  -4.179
   12   1HG2  VAL   2          1HG2      VAL   2   5.503   4.532  -2.147
   13   2HG2  VAL   2          3HG2      VAL   2   5.580   3.028  -3.066
   14   3HG2  VAL   2          2HG2      VAL   2   5.409   4.567  -3.908
   15    H    ILE   3           HN       ILE   3   1.080   6.708  -3.719
   16    HA   ILE   3           HA       ILE   3  -0.992   5.305  -2.185
   17    HB   ILE   3           HB       ILE   3  -1.222   7.907  -3.707
   18   1HG1  ILE   3          2HG1      ILE   3   0.333   8.218  -1.875
   19   2HG1  ILE   3          1HG1      ILE   3  -1.202   8.970  -1.449
   20   1HG2  ILE   3          1HG2      ILE   3  -3.064   6.598  -1.711
   21   2HG2  ILE   3          3HG2      ILE   3  -3.289   8.200  -2.414
   22   3HG2  ILE   3          2HG2      ILE   3  -3.350   6.768  -3.444
   23   1HD1  ILE   3          3HD1      ILE   3  -1.759   7.026  -0.077
   24   2HD1  ILE   3          2HD1      ILE   3  -0.202   6.302  -0.481
   25   3HD1  ILE   3          1HD1      ILE   3  -0.265   7.802   0.444
   26    H    ILE   4           HN       ILE   4  -1.849   3.657  -3.254
   27    HA   ILE   4           HA       ILE   4  -2.216   3.931  -6.155
   28    HB   ILE   4           HB       ILE   4  -2.347   1.463  -6.234
   29   1HG1  ILE   4          2HG1      ILE   4  -1.579   1.659  -3.310
   30   2HG1  ILE   4          1HG1      ILE   4  -3.088   1.013  -3.946
   31   1HG2  ILE   4          3HG2      ILE   4  -0.255   2.637  -6.678
   32   2HG2  ILE   4          2HG2      ILE   4   0.152   2.575  -4.962
   33   3HG2  ILE   4          1HG2      ILE   4   0.050   1.083  -5.897
   34   1HD1  ILE   4          3HD1      ILE   4  -0.346  -0.157  -4.387
   35   2HD1  ILE   4          2HD1      ILE   4  -1.571  -0.764  -3.272
   36   3HD1  ILE   4          1HD1      ILE   4  -1.862  -0.808  -5.011
   37    H    ASN   5           HN       ASN   5  -4.147   3.308  -7.118
   38    HA   ASN   5           HA       ASN   5  -6.450   3.882  -5.468
   39   1HB   ASN   5           HB2      ASN   5  -7.697   3.945  -7.596
   40   2HB   ASN   5           HB1      ASN   5  -6.280   4.985  -7.631
   41   1HD2  ASN   5          1HD2      ASN   5  -7.901   3.592  -9.741
   42   2HD2  ASN   5          2HD2      ASN   5  -6.721   2.751 -10.699
   43    H    VAL   6           HN       VAL   6  -5.043   1.299  -5.195
   44    HA   VAL   6           HA       VAL   6  -7.028  -0.647  -6.033
   45    HB   VAL   6           HB       VAL   6  -4.592  -0.991  -4.259
   46   1HG1  VAL   6          3HG1      VAL   6  -6.279  -2.709  -3.870
   47   2HG1  VAL   6          2HG1      VAL   6  -6.336  -3.056  -5.599
   48   3HG1  VAL   6          1HG1      VAL   6  -4.867  -3.387  -4.681
   49   1HG2  VAL   6          2HG2      VAL   6  -3.998  -0.301  -6.531
   50   2HG2  VAL   6          1HG2      VAL   6  -3.517  -1.970  -6.220
   51   3HG2  VAL   6          3HG2      VAL   6  -4.954  -1.631  -7.186
   52    H    LYS   7           HN       LYS   7  -8.660  -1.387  -4.731
   53    HA   LYS   7           HA       LYS   7  -9.203   0.088  -2.335
   54   1HB   LYS   7           HB2      LYS   7 -10.893  -0.968  -4.037
   55   2HB   LYS   7           HB1      LYS   7 -10.674  -2.425  -3.078
   56   1HG   LYS   7           HG2      LYS   7 -11.539   0.224  -1.932
   57   2HG   LYS   7           HG1      LYS   7 -12.651  -1.041  -2.451
   58   1HD   LYS   7           HD2      LYS   7 -12.160  -2.397  -0.675
   59   2HD   LYS   7           HD1      LYS   7 -10.504  -1.795  -0.544
   60   1HE   LYS   7           HE2      LYS   7 -11.891  -1.104   1.365
   61   2HE   LYS   7           HE1      LYS   7 -11.294   0.273   0.443
   62   1HZ   LYS   7           HZ3      LYS   7 -13.463   0.413  -0.655
   63   2HZ   LYS   7           HZ2      LYS   7 -14.029  -0.885   0.283
   64   3HZ   LYS   7           HZ1      LYS   7 -13.599   0.577   1.029
   65    H    CYS   8           HN       CYS   8  -8.239  -0.301  -0.489
   66    HA   CYS   8           HA       CYS   8  -6.804  -2.724  -0.017
   67   1HB   CYS   8           HB2      CYS   8  -6.249  -1.681   2.151
   68   2HB   CYS   8           HB1      CYS   8  -5.944  -0.609   0.790
   69    H    LYS   9           HN       LYS   9  -8.561  -4.257  -0.181
   70    HA   LYS   9           HA       LYS   9 -10.538  -4.278   1.927
   71   1HB   LYS   9           HB2      LYS   9 -10.571  -5.354  -0.510
   72   2HB   LYS   9           HB1      LYS   9  -9.891  -6.730   0.351
   73   1HG   LYS   9           HG2      LYS   9 -12.329  -6.872   0.126
   74   2HG   LYS   9           HG1      LYS   9 -11.809  -6.817   1.812
   75   1HD   LYS   9           HD2      LYS   9 -12.383  -4.474   1.963
   76   2HD   LYS   9           HD1      LYS   9 -12.774  -4.419   0.242
   77   1HE   LYS   9           HE2      LYS   9 -14.191  -6.131   2.284
   78   2HE   LYS   9           HE1      LYS   9 -14.762  -4.562   1.716
   79   1HZ   LYS   9           HZ3      LYS   9 -14.290  -6.910  -0.043
   80   2HZ   LYS   9           HZ2      LYS   9 -15.804  -6.459   0.573
   81   3HZ   LYS   9           HZ1      LYS   9 -14.982  -5.425  -0.488
   82    H    ILE  10           HN       ILE  10  -7.404  -4.714   1.788
   83    HA   ILE  10           HA       ILE  10  -6.971  -5.734   4.355
   84    HB   ILE  10           HB       ILE  10  -5.461  -7.675   3.551
   85   1HG1  ILE  10          2HG1      ILE  10  -7.497  -7.759   1.323
   86   2HG1  ILE  10          1HG1      ILE  10  -5.831  -7.227   1.129
   87   1HG2  ILE  10          2HG2      ILE  10  -7.328  -8.023   5.038
   88   2HG2  ILE  10          1HG2      ILE  10  -8.443  -8.065   3.671
   89   3HG2  ILE  10          3HG2      ILE  10  -7.231  -9.333   3.861
   90   1HD1  ILE  10          2HD1      ILE  10  -6.705  -9.970   2.000
   91   2HD1  ILE  10          1HD1      ILE  10  -6.137  -9.525   0.392
   92   3HD1  ILE  10          3HD1      ILE  10  -5.040  -9.436   1.773
   93    H    SER  11           HN       SER  11  -4.842  -5.262   4.941
   94    HA   SER  11           HA       SER  11  -3.515  -3.431   3.203
   95   1HB   SER  11           HB2      SER  11  -2.503  -4.625   5.795
   96   2HB   SER  11           HB1      SER  11  -1.913  -3.158   5.009
   97    HG   SER  11           HG       SER  11  -4.528  -3.589   6.060
   98    H    ARG  12           HN       ARG  12  -3.276  -6.815   3.758
   99    HA   ARG  12           HA       ARG  12  -0.608  -7.260   2.998
  100   1HB   ARG  12           HB2      ARG  12  -3.037  -9.026   2.693
  101   2HB   ARG  12           HB1      ARG  12  -1.392  -9.561   2.385
  102   1HG   ARG  12           HG2      ARG  12  -2.526  -8.629   5.009
  103   2HG   ARG  12           HG1      ARG  12  -2.070 -10.275   4.568
  104   1HD   ARG  12           HD2      ARG  12   0.271  -9.473   4.271
  105   2HD   ARG  12           HD1      ARG  12  -0.237  -7.902   4.896
  106    HE   ARG  12           HE       ARG  12  -0.569 -10.353   6.491
  107   1HH1  ARG  12          1HH1      ARG  12   0.724  -7.117   6.121
  108   2HH1  ARG  12          2HH1      ARG  12   1.259  -6.997   7.770
  109   1HH2  ARG  12          1HH2      ARG  12   0.132 -10.208   8.650
  110   2HH2  ARG  12          2HH2      ARG  12   0.947  -8.772   9.208
  111    H    GLN  13           HN       GLN  13  -3.533  -6.872   1.055
  112    HA   GLN  13           HA       GLN  13  -2.260  -7.662  -1.394
  113   1HB   GLN  13           HB2      GLN  13  -4.320  -7.216  -2.449
  114   2HB   GLN  13           HB1      GLN  13  -4.754  -7.790  -0.850
  115   1HG   GLN  13           HG2      GLN  13  -5.265  -5.604  -0.120
  116   2HG   GLN  13           HG1      GLN  13  -4.603  -4.898  -1.594
  117   1HE2  GLN  13          1HE2      GLN  13  -7.227  -6.764  -0.247
  118   2HE2  GLN  13          2HE2      GLN  13  -8.333  -6.516  -1.553
  119    H    CYS  14           HN       CYS  14  -2.326  -4.869   0.474
  120    HA   CYS  14           HA       CYS  14  -1.638  -3.028  -1.663
  121   1HB   CYS  14           HB2      CYS  14  -1.529  -2.671   1.336
  122   2HB   CYS  14           HB1      CYS  14  -1.462  -1.385   0.140
  123    H    LEU  15           HN       LEU  15  -0.197  -4.881   0.885
  124    HA   LEU  15           HA       LEU  15   2.268  -3.470   0.927
  125   1HB   LEU  15           HB2      LEU  15   1.476  -4.370   2.928
  126   2HB   LEU  15           HB1      LEU  15   1.250  -5.964   2.229
  127    HG   LEU  15           HG       LEU  15   3.969  -5.445   1.917
  128   1HD1  LEU  15          2HD1      LEU  15   3.784  -3.566   3.461
  129   2HD1  LEU  15          1HD1      LEU  15   3.038  -4.615   4.668
  130   3HD1  LEU  15          3HD1      LEU  15   4.711  -4.882   4.182
  131   1HD2  LEU  15          2HD2      LEU  15   2.477  -7.045   4.000
  132   2HD2  LEU  15          1HD2      LEU  15   2.996  -7.607   2.411
  133   3HD2  LEU  15          3HD2      LEU  15   4.196  -7.213   3.642
  134    H    LYS  16           HN       LYS  16   1.275  -6.648  -0.361
  135    HA   LYS  16           HA       LYS  16   3.819  -7.535  -1.047
  136   1HB   LYS  16           HB2      LYS  16   2.074  -9.116  -1.163
  137   2HB   LYS  16           HB1      LYS  16   1.136  -8.131  -2.271
  138   1HG   LYS  16           HG2      LYS  16   2.162 -10.086  -3.351
  139   2HG   LYS  16           HG1      LYS  16   2.696  -8.558  -4.052
  140   1HD   LYS  16           HD2      LYS  16   4.758  -8.695  -2.700
  141   2HD   LYS  16           HD1      LYS  16   4.225 -10.261  -2.080
  142   1HE   LYS  16           HE2      LYS  16   4.275 -11.203  -4.303
  143   2HE   LYS  16           HE1      LYS  16   4.659  -9.630  -4.998
  144   1HZ   LYS  16           HZ2      LYS  16   6.425 -10.936  -3.009
  145   2HZ   LYS  16           HZ1      LYS  16   6.564 -11.238  -4.674
  146   3HZ   LYS  16           HZ3      LYS  16   6.795  -9.668  -4.081
  147    HA   PRO  17           HA       PRO  17   3.395  -5.476  -5.399
  148   1HB   PRO  17           HB2      PRO  17   1.442  -3.313  -4.980
  149   2HB   PRO  17           HB1      PRO  17   1.556  -4.475  -6.306
  150   1HG   PRO  17           HG2      PRO  17  -0.405  -4.631  -4.495
  151   2HG   PRO  17           HG1      PRO  17   0.351  -6.093  -5.159
  152   1HD   PRO  17           HD2      PRO  17   0.859  -4.728  -2.535
  153   2HD   PRO  17           HD1      PRO  17   0.640  -6.455  -2.872
  154    H    CYS  18           HN       CYS  18   2.870  -3.483  -2.513
  155    HA   CYS  18           HA       CYS  18   4.319  -1.266  -3.656
  156   1HB   CYS  18           HB2      CYS  18   3.116  -1.731  -0.926
  157   2HB   CYS  18           HB1      CYS  18   4.031  -0.281  -1.343
  158    H    LYS  19           HN       LYS  19   4.946  -3.709  -1.152
  159    HA   LYS  19           HA       LYS  19   7.421  -2.533  -0.359
  160   1HB   LYS  19           HB2      LYS  19   6.165  -3.978   1.159
  161   2HB   LYS  19           HB1      LYS  19   6.372  -5.340   0.068
  162   1HG   LYS  19           HG2      LYS  19   8.790  -5.258   0.425
  163   2HG   LYS  19           HG1      LYS  19   8.579  -3.890   1.520
  164   1HD   LYS  19           HD2      LYS  19   7.145  -6.483   1.991
  165   2HD   LYS  19           HD1      LYS  19   8.816  -6.265   2.511
  166   1HE   LYS  19           HE2      LYS  19   6.559  -4.423   3.283
  167   2HE   LYS  19           HE1      LYS  19   7.096  -5.787   4.267
  168   1HZ   LYS  19           HZ2      LYS  19   9.333  -4.765   4.289
  169   2HZ   LYS  19           HZ1      LYS  19   8.698  -3.405   3.503
  170   3HZ   LYS  19           HZ3      LYS  19   8.155  -3.814   5.055
  171    H    ASP  20           HN       ASP  20   6.478  -4.852  -2.775
  172    HA   ASP  20           HA       ASP  20   9.025  -5.941  -3.313
  173   1HB   ASP  20           HB2      ASP  20   6.545  -6.518  -4.183
  174   2HB   ASP  20           HB1      ASP  20   7.122  -5.596  -5.568
  175    H    ALA  21           HN       ALA  21   7.327  -3.091  -4.477
  176    HA   ALA  21           HA       ALA  21   9.484  -2.315  -6.238
  177   1HB   ALA  21           HB1      ALA  21   7.160  -1.773  -6.794
  178   2HB   ALA  21           HB2      ALA  21   8.152  -0.321  -6.660
  179   3HB   ALA  21           HB3      ALA  21   7.050  -0.761  -5.354
  180    H    GLY  22           HN       GLY  22   8.250  -1.376  -3.067
  181   1HA   GLY  22           HA1      GLY  22  10.143   0.798  -2.794
  182   2HA   GLY  22           HA2      GLY  22  10.490  -0.597  -1.776
  183    H    MET  23           HN       MET  23   8.978  -1.244  -0.223
  184    HA   MET  23           HA       MET  23   7.595   1.058   0.881
  185   1HB   MET  23           HB2      MET  23   5.553   0.273   0.510
  186   2HB   MET  23           HB1      MET  23   6.188  -1.207  -0.194
  187   1HG   MET  23           HG2      MET  23   6.483  -1.989   2.229
  188   2HG   MET  23           HG1      MET  23   5.432  -0.642   2.648
  189   1HE   MET  23           HE1      MET  23   2.901  -0.611   2.370
  190   2HE   MET  23           HE3      MET  23   3.189  -0.415   0.642
  191   3HE   MET  23           HE2      MET  23   2.018  -1.606   1.210
  192    H    ARG  24           HN       ARG  24   8.320   1.373   2.755
  193    HA   ARG  24           HA       ARG  24   9.455  -0.728   4.360
  194   1HB   ARG  24           HB2      ARG  24  10.818   0.964   4.782
  195   2HB   ARG  24           HB1      ARG  24   9.784   2.061   3.896
  196   1HG   ARG  24           HG2      ARG  24   9.941   3.061   5.970
  197   2HG   ARG  24           HG1      ARG  24   8.428   2.148   6.095
  198   1HD   ARG  24           HD2      ARG  24   9.327   0.598   7.521
  199   2HD   ARG  24           HD1      ARG  24  10.966   0.813   6.904
  200    HE   ARG  24           HE       ARG  24   9.774   3.010   8.430
  201   1HH1  ARG  24          1HH1      ARG  24  11.977   0.279   8.329
  202   2HH1  ARG  24          2HH1      ARG  24  12.943   0.858   9.652
  203   1HH2  ARG  24          1HH2      ARG  24  11.034   3.759  10.176
  204   2HH2  ARG  24          2HH2      ARG  24  12.414   2.843  10.702
  205    H    PHE  25           HN       PHE  25   6.591   1.275   4.148
  206    HA   PHE  25           HA       PHE  25   5.319  -0.473   6.122
  207   1HB   PHE  25           HB2      PHE  25   5.236   2.536   6.189
  208   2HB   PHE  25           HB1      PHE  25   3.954   1.562   6.894
  209    HD1  PHE  25           HD1      PHE  25   5.085  -0.490   8.379
  210    HD2  PHE  25           HD2      PHE  25   6.686   3.398   7.723
  211    HE1  PHE  25           HE1      PHE  25   6.397  -0.681  10.453
  212    HE2  PHE  25           HE2      PHE  25   7.994   3.215   9.798
  213    HZ   PHE  25           HZ       PHE  25   7.793   1.169  11.198
  214    H    GLY  26           HN       GLY  26   2.922  -0.393   5.952
  215   1HA   GLY  26           HA1      GLY  26   1.918  -0.815   3.440
  216   2HA   GLY  26           HA2      GLY  26   1.717   0.914   3.699
  217    H    LYS  27           HN       LYS  27  -0.203   1.459   4.446
  218    HA   LYS  27           HA       LYS  27  -1.673  -0.516   6.052
  219   1HB   LYS  27           HB2      LYS  27  -1.399   2.441   6.582
  220   2HB   LYS  27           HB1      LYS  27  -2.633   1.436   7.329
  221   1HG   LYS  27           HG2      LYS  27  -0.789   0.027   8.265
  222   2HG   LYS  27           HG1      LYS  27   0.349   1.241   7.667
  223   1HD   LYS  27           HD2      LYS  27  -0.712   2.946   9.024
  224   2HD   LYS  27           HD1      LYS  27  -1.934   1.792   9.563
  225   1HE   LYS  27           HE2      LYS  27  -0.095   0.437  10.565
  226   2HE   LYS  27           HE1      LYS  27   1.023   1.739  10.155
  227   1HZ   LYS  27           HZ1      LYS  27  -0.435   3.238  11.492
  228   2HZ   LYS  27           HZ3      LYS  27  -1.280   1.866  12.024
  229   3HZ   LYS  27           HZ2      LYS  27   0.365   2.046  12.396
  230    H    CYS  28           HN       CYS  28  -3.764  -0.791   5.519
  231    HA   CYS  28           HA       CYS  28  -4.923   0.526   3.291
  232   1HB   CYS  28           HB2      CYS  28  -5.774  -1.632   3.749
  233   2HB   CYS  28           HB1      CYS  28  -6.034  -1.259   5.447
  234    H    MET  29           HN       MET  29  -5.877   2.470   3.200
  235    HA   MET  29           HA       MET  29  -6.921   3.636   5.675
  236   1HB   MET  29           HB2      MET  29  -4.936   4.975   3.830
  237   2HB   MET  29           HB1      MET  29  -5.869   5.831   5.049
  238   1HG   MET  29           HG2      MET  29  -4.842   4.432   6.790
  239   2HG   MET  29           HG1      MET  29  -3.869   3.639   5.550
  240   1HE   MET  29           HE3      MET  29  -1.679   4.226   6.956
  241   2HE   MET  29           HE2      MET  29  -1.249   5.860   7.459
  242   3HE   MET  29           HE1      MET  29  -2.646   5.057   8.175
  243    H    ASN  30           HN       ASN  30  -8.930   4.106   5.326
  244    HA   ASN  30           HA       ASN  30 -10.879   4.675   4.337
  245   1HB   ASN  30           HB2      ASN  30 -10.795   6.984   3.256
  246   2HB   ASN  30           HB1      ASN  30 -10.279   6.851   4.929
  247   1HD2  ASN  30          1HD2      ASN  30  -8.144   7.196   5.457
  248   2HD2  ASN  30          2HD2      ASN  30  -7.016   7.915   4.352
  249    H    GLY  31           HN       GLY  31  -9.456   2.815   2.732
  250   1HA   GLY  31           HA1      GLY  31 -10.869   3.450   0.226
  251   2HA   GLY  31           HA2      GLY  31 -10.730   1.836   0.907
  252    H    LYS  32           HN       LYS  32  -7.997   3.965   0.908
  253    HA   LYS  32           HA       LYS  32  -6.953   2.664  -1.519
  254   1HB   LYS  32           HB2      LYS  32  -6.387   5.336  -0.253
  255   2HB   LYS  32           HB1      LYS  32  -5.338   4.644  -1.487
  256   1HG   LYS  32           HG2      LYS  32  -6.803   5.059  -3.150
  257   2HG   LYS  32           HG1      LYS  32  -8.209   4.712  -2.144
  258   1HD   LYS  32           HD2      LYS  32  -6.551   7.229  -1.969
  259   2HD   LYS  32           HD1      LYS  32  -8.063   7.083  -2.868
  260   1HE   LYS  32           HE2      LYS  32  -9.152   6.374  -0.711
  261   2HE   LYS  32           HE1      LYS  32  -7.655   6.815   0.108
  262   1HZ   LYS  32           HZ3      LYS  32  -7.940   9.079  -0.832
  263   2HZ   LYS  32           HZ2      LYS  32  -9.460   8.608  -1.416
  264   3HZ   LYS  32           HZ1      LYS  32  -9.169   8.629   0.249
  265    H    CYS  33           HN       CYS  33  -4.687   2.187  -1.599
  266    HA   CYS  33           HA       CYS  33  -3.711   1.189   0.958
  267   1HB   CYS  33           HB2      CYS  33  -2.674   0.769  -1.856
  268   2HB   CYS  33           HB1      CYS  33  -2.042  -0.017  -0.412
  269    H    HIS  34           HN       HIS  34  -2.661   2.638   2.108
  270    HA   HIS  34           HA       HIS  34  -1.002   4.652   0.826
  271   1HB   HIS  34           HB2      HIS  34  -2.037   4.205   3.592
  272   2HB   HIS  34           HB1      HIS  34  -0.623   5.232   3.369
  273    HD1  HIS  34           HD1      HIS  34  -1.380   7.560   3.523
  274    HD2  HIS  34           HD2      HIS  34  -4.067   5.215   1.385
  275    HE1  HIS  34           HE1      HIS  34  -3.174   9.136   2.731
  276    HE2  HIS  34           HE2      HIS  34  -4.649   7.734   1.247
  277    H    CYS  35           HN       CYS  35   0.803   3.730   0.072
  278    HA   CYS  35           HA       CYS  35   2.261   1.876   1.801
  279   1HB   CYS  35           HB2      CYS  35   2.757   2.510  -1.112
  280   2HB   CYS  35           HB1      CYS  35   3.424   1.169  -0.186
  281    H    THR  36           HN       THR  36   3.707   2.769   3.051
  282    HA   THR  36           HA       THR  36   5.065   5.228   2.439
  283    HB   THR  36           HB       THR  36   5.708   3.236   4.623
  284    HG1  THR  36           HG1      THR  36   3.976   5.502   4.803
  285   1HG2  THR  36          1HG2      THR  36   6.201   6.208   4.393
  286   2HG2  THR  36          3HG2      THR  36   6.598   5.204   5.791
  287   3HG2  THR  36          2HG2      THR  36   7.421   4.941   4.252
  288    HA   PRO  37           HA       PRO  37   7.985   2.985  -0.141
  289   1HB   PRO  37           HB2      PRO  37   9.409   5.577  -0.113
  290   2HB   PRO  37           HB1      PRO  37   8.828   4.631  -1.486
  291   1HG   PRO  37           HG2      PRO  37   7.611   6.894  -0.743
  292   2HG   PRO  37           HG1      PRO  37   6.696   5.507  -1.361
  293   1HD   PRO  37           HD2      PRO  37   7.038   6.448   1.455
  294   2HD   PRO  37           HD1      PRO  37   5.598   5.787   0.654
  295    H    LYS  38           HN       LYS  38   9.937   2.024   0.186
  296    HA   LYS  38           HA       LYS  38  11.106   1.843   2.675
  297   1HB   LYS  38           HB2      LYS  38  12.206   1.328  -0.080
  298   2HB   LYS  38           HB1      LYS  38  13.180   1.101   1.366
  299   1HG   LYS  38           HG2      LYS  38  10.541  -0.242   1.003
  300   2HG   LYS  38           HG1      LYS  38  12.077  -0.955   0.483
  301   1HD   LYS  38           HD2      LYS  38  11.797   0.139   3.228
  302   2HD   LYS  38           HD1      LYS  38  11.130  -1.456   2.873
  303   1HE   LYS  38           HE2      LYS  38  13.336  -1.762   3.752
  304   2HE   LYS  38           HE1      LYS  38  13.407  -2.101   2.024
  305   1HZ   LYS  38           HZ3      LYS  38  14.120   0.542   3.165
  306   2HZ   LYS  38           HZ2      LYS  38  15.256  -0.700   2.973
  307   3HZ   LYS  38           HZ1      LYS  38  14.472  -0.055   1.615

  No H/Q in entry =         307
  Start of MODEL    9
    1    H1   GLY   1           HT3      GLY   1   4.264  10.859  -1.823
    2    H2   GLY   1           HT2      GLY   1   5.315  10.651  -0.510
    3    H3   GLY   1           HT1      GLY   1   5.509   9.714  -1.911
    4   1HA   GLY   1           HA2      GLY   1   3.217   9.596  -0.035
    5   2HA   GLY   1           HA1      GLY   1   4.490   8.392  -0.195
    6    H    VAL   2           HN       VAL   2   3.914   6.667  -1.345
    7    HA   VAL   2           HA       VAL   2   2.487   7.118  -3.839
    8    HB   VAL   2           HB       VAL   2   3.038   4.607  -4.175
    9   1HG1  VAL   2          2HG1      VAL   2   5.193   6.716  -4.104
   10   2HG1  VAL   2          1HG1      VAL   2   5.293   5.188  -4.978
   11   3HG1  VAL   2          3HG1      VAL   2   4.086   6.389  -5.438
   12   1HG2  VAL   2          2HG2      VAL   2   3.678   4.150  -1.850
   13   2HG2  VAL   2          1HG2      VAL   2   5.011   3.833  -2.962
   14   3HG2  VAL   2          3HG2      VAL   2   5.002   5.306  -1.992
   15    H    ILE   3           HN       ILE   3   0.421   7.414  -3.216
   16    HA   ILE   3           HA       ILE   3  -0.936   5.193  -1.863
   17    HB   ILE   3           HB       ILE   3  -1.651   8.081  -2.282
   18   1HG1  ILE   3          2HG1      ILE   3  -2.176   7.969   0.120
   19   2HG1  ILE   3          1HG1      ILE   3  -1.814   6.249   0.121
   20   1HG2  ILE   3          2HG2      ILE   3  -3.602   6.858  -3.085
   21   2HG2  ILE   3          1HG2      ILE   3  -3.636   5.914  -1.594
   22   3HG2  ILE   3          3HG2      ILE   3  -3.945   7.650  -1.548
   23   1HD1  ILE   3          3HD1      ILE   3   0.153   8.466  -0.411
   24   2HD1  ILE   3          2HD1      ILE   3  -0.003   7.541   1.084
   25   3HD1  ILE   3          1HD1      ILE   3   0.519   6.740  -0.397
   26    H    ILE   4           HN       ILE   4  -1.902   3.737  -3.096
   27    HA   ILE   4           HA       ILE   4  -2.366   4.432  -5.903
   28    HB   ILE   4           HB       ILE   4  -2.354   2.021  -6.358
   29   1HG1  ILE   4          2HG1      ILE   4  -1.738   1.777  -3.401
   30   2HG1  ILE   4          1HG1      ILE   4  -3.159   1.147  -4.228
   31   1HG2  ILE   4          3HG2      ILE   4  -0.302   3.324  -6.504
   32   2HG2  ILE   4          2HG2      ILE   4   0.028   3.005  -4.800
   33   3HG2  ILE   4          1HG2      ILE   4   0.035   1.679  -5.964
   34   1HD1  ILE   4          3HD1      ILE   4  -1.725  -0.380  -5.500
   35   2HD1  ILE   4          2HD1      ILE   4  -0.316   0.238  -4.636
   36   3HD1  ILE   4          1HD1      ILE   4  -1.581  -0.625  -3.759
   37    H    ASN   5           HN       ASN   5  -4.234   3.788  -6.971
   38    HA   ASN   5           HA       ASN   5  -6.585   4.186  -5.345
   39   1HB   ASN   5           HB2      ASN   5  -7.719   4.269  -7.625
   40   2HB   ASN   5           HB1      ASN   5  -6.495   5.497  -7.320
   41   1HD2  ASN   5          1HD2      ASN   5  -7.371   2.733  -9.188
   42   2HD2  ASN   5          2HD2      ASN   5  -6.033   2.787 -10.281
   43    H    VAL   6           HN       VAL   6  -5.404   1.698  -4.884
   44    HA   VAL   6           HA       VAL   6  -7.280  -0.204  -6.113
   45    HB   VAL   6           HB       VAL   6  -4.796  -0.750  -4.461
   46   1HG1  VAL   6          3HG1      VAL   6  -6.460  -2.520  -4.241
   47   2HG1  VAL   6          2HG1      VAL   6  -6.573  -2.647  -5.997
   48   3HG1  VAL   6          1HG1      VAL   6  -5.070  -3.074  -5.177
   49   1HG2  VAL   6          2HG2      VAL   6  -4.247   0.207  -6.638
   50   2HG2  VAL   6          1HG2      VAL   6  -3.790  -1.495  -6.568
   51   3HG2  VAL   6          3HG2      VAL   6  -5.246  -1.007  -7.436
   52    H    LYS   7           HN       LYS   7  -8.852  -1.170  -4.877
   53    HA   LYS   7           HA       LYS   7  -9.299  -0.019  -2.277
   54   1HB   LYS   7           HB2      LYS   7 -11.042  -0.804  -4.128
   55   2HB   LYS   7           HB1      LYS   7 -10.949  -2.311  -3.227
   56   1HG   LYS   7           HG2      LYS   7 -11.682   0.382  -2.087
   57   2HG   LYS   7           HG1      LYS   7 -12.801  -0.929  -2.462
   58   1HD   LYS   7           HD2      LYS   7 -12.039  -2.251  -0.710
   59   2HD   LYS   7           HD1      LYS   7 -10.511  -1.376  -0.583
   60   1HE   LYS   7           HE2      LYS   7 -11.975  -0.849   1.292
   61   2HE   LYS   7           HE1      LYS   7 -11.689   0.575   0.293
   62   1HZ   LYS   7           HZ2      LYS   7 -13.856   0.121  -0.796
   63   2HZ   LYS   7           HZ1      LYS   7 -14.132  -1.123   0.323
   64   3HZ   LYS   7           HZ3      LYS   7 -13.994   0.481   0.855
   65    H    CYS   8           HN       CYS   8  -8.203  -0.691  -0.633
   66    HA   CYS   8           HA       CYS   8  -7.026  -3.305  -0.530
   67   1HB   CYS   8           HB2      CYS   8  -6.177  -2.455   1.692
   68   2HB   CYS   8           HB1      CYS   8  -5.724  -1.488   0.291
   69    H    LYS   9           HN       LYS   9  -8.673  -4.869  -0.274
   70    HA   LYS   9           HA       LYS   9 -10.631  -4.725   1.777
   71   1HB   LYS   9           HB2      LYS   9  -9.603  -6.824  -0.031
   72   2HB   LYS   9           HB1      LYS   9 -10.283  -7.409   1.482
   73   1HG   LYS   9           HG2      LYS   9 -11.970  -7.385  -0.250
   74   2HG   LYS   9           HG1      LYS   9 -12.366  -6.212   1.002
   75   1HD   LYS   9           HD2      LYS   9 -12.809  -5.133  -1.046
   76   2HD   LYS   9           HD1      LYS   9 -11.275  -4.467  -0.483
   77   1HE   LYS   9           HE2      LYS   9 -11.111  -4.931  -2.836
   78   2HE   LYS   9           HE1      LYS   9 -10.096  -6.077  -1.961
   79   1HZ   LYS   9           HZ2      LYS   9 -12.830  -6.641  -2.991
   80   2HZ   LYS   9           HZ1      LYS   9 -11.383  -7.144  -3.722
   81   3HZ   LYS   9           HZ3      LYS   9 -11.816  -7.744  -2.197
   82    H    ILE  10           HN       ILE  10  -7.361  -5.036   1.838
   83    HA   ILE  10           HA       ILE  10  -7.168  -5.196   4.665
   84    HB   ILE  10           HB       ILE  10  -5.449  -7.084   4.641
   85   1HG1  ILE  10          2HG1      ILE  10  -6.884  -7.832   2.092
   86   2HG1  ILE  10          1HG1      ILE  10  -5.229  -7.240   2.196
   87   1HG2  ILE  10          2HG2      ILE  10  -8.339  -7.821   4.233
   88   2HG2  ILE  10          1HG2      ILE  10  -7.105  -8.867   4.935
   89   3HG2  ILE  10          3HG2      ILE  10  -7.565  -7.375   5.755
   90   1HD1  ILE  10          1HD1      ILE  10  -6.260  -9.804   3.389
   91   2HD1  ILE  10          3HD1      ILE  10  -5.297  -9.647   1.918
   92   3HD1  ILE  10          2HD1      ILE  10  -4.601  -9.211   3.478
   93    H    SER  11           HN       SER  11  -4.781  -4.885   5.281
   94    HA   SER  11           HA       SER  11  -3.679  -2.921   3.560
   95   1HB   SER  11           HB2      SER  11  -2.370  -4.360   5.879
   96   2HB   SER  11           HB1      SER  11  -1.790  -2.873   5.131
   97    HG   SER  11           HG       SER  11  -3.413  -3.025   7.124
   98    H    ARG  12           HN       ARG  12  -2.946  -6.318   4.127
   99    HA   ARG  12           HA       ARG  12  -0.477  -6.430   2.804
  100   1HB   ARG  12           HB2      ARG  12  -2.524  -8.584   3.317
  101   2HB   ARG  12           HB1      ARG  12  -0.922  -8.895   2.659
  102   1HG   ARG  12           HG2      ARG  12   0.050  -7.858   4.703
  103   2HG   ARG  12           HG1      ARG  12  -1.581  -7.750   5.363
  104   1HD   ARG  12           HD2      ARG  12  -0.215 -10.299   4.509
  105   2HD   ARG  12           HD1      ARG  12  -0.355  -9.731   6.171
  106    HE   ARG  12           HE       ARG  12  -2.932  -9.813   5.208
  107   1HH1  ARG  12          1HH1      ARG  12  -0.310 -12.089   5.628
  108   2HH1  ARG  12          2HH1      ARG  12  -1.358 -13.460   5.877
  109   1HH2  ARG  12          1HH2      ARG  12  -4.334 -11.626   5.545
  110   2HH2  ARG  12          2HH2      ARG  12  -3.632 -13.193   5.853
  111    H    GLN  13           HN       GLN  13  -3.662  -6.230   1.510
  112    HA   GLN  13           HA       GLN  13  -3.406  -7.455  -0.975
  113   1HB   GLN  13           HB2      GLN  13  -4.937  -5.035  -0.065
  114   2HB   GLN  13           HB1      GLN  13  -4.966  -5.521  -1.748
  115   1HG   GLN  13           HG2      GLN  13  -5.858  -7.167   0.603
  116   2HG   GLN  13           HG1      GLN  13  -6.900  -6.353  -0.559
  117   1HE2  GLN  13          1HE2      GLN  13  -5.235  -7.079  -2.859
  118   2HE2  GLN  13          2HE2      GLN  13  -5.502  -8.763  -3.123
  119    H    CYS  14           HN       CYS  14  -2.192  -4.371   0.164
  120    HA   CYS  14           HA       CYS  14  -1.068  -3.896  -2.509
  121   1HB   CYS  14           HB2      CYS  14  -1.936  -1.952  -0.380
  122   2HB   CYS  14           HB1      CYS  14  -1.005  -1.472  -1.797
  123    H    LEU  15           HN       LEU  15  -0.274  -4.457   0.786
  124    HA   LEU  15           HA       LEU  15   2.241  -3.153   0.780
  125   1HB   LEU  15           HB2      LEU  15   1.247  -3.770   2.884
  126   2HB   LEU  15           HB1      LEU  15   1.269  -5.470   2.442
  127    HG   LEU  15           HG       LEU  15   3.761  -5.354   2.351
  128   1HD1  LEU  15          1HD1      LEU  15   3.330  -2.634   3.574
  129   2HD1  LEU  15          3HD1      LEU  15   4.875  -3.477   3.470
  130   3HD1  LEU  15          2HD1      LEU  15   4.043  -2.980   1.998
  131   1HD2  LEU  15          2HD2      LEU  15   2.594  -6.250   4.299
  132   2HD2  LEU  15          1HD2      LEU  15   4.073  -5.414   4.769
  133   3HD2  LEU  15          3HD2      LEU  15   2.507  -4.634   4.999
  134    H    LYS  16           HN       LYS  16   1.197  -6.352  -0.259
  135    HA   LYS  16           HA       LYS  16   3.743  -7.490  -0.535
  136   1HB   LYS  16           HB2      LYS  16   1.790  -8.897  -0.657
  137   2HB   LYS  16           HB1      LYS  16   1.199  -8.039  -2.069
  138   1HG   LYS  16           HG2      LYS  16   2.150 -10.219  -2.637
  139   2HG   LYS  16           HG1      LYS  16   3.026  -8.894  -3.401
  140   1HD   LYS  16           HD2      LYS  16   4.574 -10.567  -2.540
  141   2HD   LYS  16           HD1      LYS  16   4.755  -9.049  -1.661
  142   1HE   LYS  16           HE2      LYS  16   3.454  -9.926   0.181
  143   2HE   LYS  16           HE1      LYS  16   3.142 -11.413  -0.709
  144   1HZ   LYS  16           HZ3      LYS  16   5.847 -10.483   0.089
  145   2HZ   LYS  16           HZ2      LYS  16   4.929 -11.617   0.954
  146   3HZ   LYS  16           HZ1      LYS  16   5.451 -11.968  -0.619
  147    HA   PRO  17           HA       PRO  17   3.884  -5.775  -5.056
  148   1HB   PRO  17           HB2      PRO  17   2.165  -3.696  -5.584
  149   2HB   PRO  17           HB1      PRO  17   1.880  -5.372  -6.056
  150   1HG   PRO  17           HG2      PRO  17   0.772  -3.820  -3.774
  151   2HG   PRO  17           HG1      PRO  17  -0.003  -5.059  -4.776
  152   1HD   PRO  17           HD2      PRO  17   0.914  -5.537  -2.270
  153   2HD   PRO  17           HD1      PRO  17   0.861  -6.774  -3.532
  154    H    CYS  18           HN       CYS  18   3.135  -3.763  -2.281
  155    HA   CYS  18           HA       CYS  18   4.585  -1.501  -3.325
  156   1HB   CYS  18           HB2      CYS  18   3.247  -2.042  -0.690
  157   2HB   CYS  18           HB1      CYS  18   4.261  -0.622  -0.924
  158    H    LYS  19           HN       LYS  19   5.159  -3.718  -0.559
  159    HA   LYS  19           HA       LYS  19   7.683  -2.609   0.012
  160   1HB   LYS  19           HB2      LYS  19   6.183  -4.020   1.534
  161   2HB   LYS  19           HB1      LYS  19   6.858  -5.420   0.708
  162   1HG   LYS  19           HG2      LYS  19   9.046  -4.914   1.455
  163   2HG   LYS  19           HG1      LYS  19   8.543  -3.334   2.053
  164   1HD   LYS  19           HD2      LYS  19   7.042  -4.512   3.667
  165   2HD   LYS  19           HD1      LYS  19   7.778  -6.033   3.147
  166   1HE   LYS  19           HE2      LYS  19   9.984  -5.134   3.773
  167   2HE   LYS  19           HE1      LYS  19   9.195  -3.670   4.352
  168   1HZ   LYS  19           HZ1      LYS  19   8.535  -6.354   5.422
  169   2HZ   LYS  19           HZ3      LYS  19   9.770  -5.396   6.070
  170   3HZ   LYS  19           HZ2      LYS  19   8.165  -4.842   6.090
  171    H    ASP  20           HN       ASP  20   6.631  -5.075  -2.226
  172    HA   ASP  20           HA       ASP  20   9.159  -6.220  -2.788
  173   1HB   ASP  20           HB2      ASP  20   7.157  -7.332  -3.555
  174   2HB   ASP  20           HB1      ASP  20   6.688  -5.926  -4.507
  175    H    ALA  21           HN       ALA  21   7.489  -3.376  -3.977
  176    HA   ALA  21           HA       ALA  21   9.517  -2.756  -5.929
  177   1HB   ALA  21           HB2      ALA  21   7.185  -2.137  -6.321
  178   2HB   ALA  21           HB3      ALA  21   8.226  -0.713  -6.303
  179   3HB   ALA  21           HB1      ALA  21   7.220  -1.089  -4.905
  180    H    GLY  22           HN       GLY  22   9.176  -2.365  -2.599
  181   1HA   GLY  22           HA1      GLY  22  11.335  -0.355  -2.568
  182   2HA   GLY  22           HA2      GLY  22  11.058  -1.553  -1.307
  183    H    MET  23           HN       MET  23   8.784  -1.411  -0.363
  184    HA   MET  23           HA       MET  23   8.411   1.339   0.494
  185   1HB   MET  23           HB2      MET  23   6.169  -0.403  -0.541
  186   2HB   MET  23           HB1      MET  23   5.937   1.116   0.323
  187   1HG   MET  23           HG2      MET  23   6.890   2.372  -1.397
  188   2HG   MET  23           HG1      MET  23   7.606   0.950  -2.142
  189   1HE   MET  23           HE1      MET  23   6.229   2.952  -4.017
  190   2HE   MET  23           HE3      MET  23   6.788   1.369  -4.562
  191   3HE   MET  23           HE2      MET  23   5.164   1.918  -4.971
  192    H    ARG  24           HN       ARG  24   8.734   1.286   2.528
  193    HA   ARG  24           HA       ARG  24   8.805  -1.003   4.101
  194   1HB   ARG  24           HB2      ARG  24   9.664   0.445   5.669
  195   2HB   ARG  24           HB1      ARG  24  10.009   1.278   4.168
  196   1HG   ARG  24           HG2      ARG  24   8.216   2.792   4.495
  197   2HG   ARG  24           HG1      ARG  24   7.610   1.876   5.877
  198   1HD   ARG  24           HD2      ARG  24   8.796   3.840   6.633
  199   2HD   ARG  24           HD1      ARG  24   9.668   2.380   7.097
  200    HE   ARG  24           HE       ARG  24  10.812   3.110   4.736
  201   1HH1  ARG  24          1HH1      ARG  24  10.201   4.743   7.771
  202   2HH1  ARG  24          2HH1      ARG  24  11.609   5.761   7.647
  203   1HH2  ARG  24          1HH2      ARG  24  12.673   4.405   4.585
  204   2HH2  ARG  24          2HH2      ARG  24  13.026   5.549   5.853
  205    H    PHE  25           HN       PHE  25   6.227   1.178   3.355
  206    HA   PHE  25           HA       PHE  25   4.522  -0.250   5.279
  207   1HB   PHE  25           HB2      PHE  25   4.556   2.697   4.671
  208   2HB   PHE  25           HB1      PHE  25   3.116   1.909   5.294
  209    HD1  PHE  25           HD1      PHE  25   3.398   0.570   7.495
  210    HD2  PHE  25           HD2      PHE  25   6.139   3.520   6.118
  211    HE1  PHE  25           HE1      PHE  25   4.272   0.828   9.781
  212    HE2  PHE  25           HE2      PHE  25   7.012   3.784   8.402
  213    HZ   PHE  25           HZ       PHE  25   6.009   2.446  10.263
  214    H    GLY  26           HN       GLY  26   2.505  -0.765   4.622
  215   1HA   GLY  26           HA1      GLY  26   1.699  -1.540   2.232
  216   2HA   GLY  26           HA2      GLY  26   1.486   0.202   2.064
  217    H    LYS  27           HN       LYS  27   0.295   1.222   3.950
  218    HA   LYS  27           HA       LYS  27  -1.328  -0.632   5.504
  219   1HB   LYS  27           HB2      LYS  27  -0.894   2.343   5.806
  220   2HB   LYS  27           HB1      LYS  27  -1.855   1.347   6.889
  221   1HG   LYS  27           HG2      LYS  27   0.187   0.032   7.408
  222   2HG   LYS  27           HG1      LYS  27   1.114   1.162   6.418
  223   1HD   LYS  27           HD2      LYS  27   1.305   1.800   8.737
  224   2HD   LYS  27           HD1      LYS  27   0.350   3.011   7.880
  225   1HE   LYS  27           HE2      LYS  27  -1.707   1.906   8.705
  226   2HE   LYS  27           HE1      LYS  27  -0.703   0.792   9.627
  227   1HZ   LYS  27           HZ3      LYS  27   0.193   2.695  10.841
  228   2HZ   LYS  27           HZ2      LYS  27  -0.822   3.739   9.978
  229   3HZ   LYS  27           HZ1      LYS  27  -1.488   2.577  11.022
  230    H    CYS  28           HN       CYS  28  -3.457  -0.816   5.338
  231    HA   CYS  28           HA       CYS  28  -4.795   0.528   3.168
  232   1HB   CYS  28           HB2      CYS  28  -5.261  -1.804   3.515
  233   2HB   CYS  28           HB1      CYS  28  -5.732  -1.513   5.185
  234    H    MET  29           HN       MET  29  -5.974   2.321   3.333
  235    HA   MET  29           HA       MET  29  -6.941   3.167   5.968
  236   1HB   MET  29           HB2      MET  29  -5.065   4.726   4.207
  237   2HB   MET  29           HB1      MET  29  -6.114   5.525   5.367
  238   1HG   MET  29           HG2      MET  29  -4.320   3.319   6.268
  239   2HG   MET  29           HG1      MET  29  -3.663   4.929   5.989
  240   1HE   MET  29           HE2      MET  29  -6.028   2.704   8.180
  241   2HE   MET  29           HE1      MET  29  -6.829   3.894   9.208
  242   3HE   MET  29           HE3      MET  29  -7.207   3.820   7.487
  243    H    ASN  30           HN       ASN  30  -9.050   3.126   5.539
  244    HA   ASN  30           HA       ASN  30 -11.073   3.863   4.835
  245   1HB   ASN  30           HB2      ASN  30  -9.431   6.220   3.904
  246   2HB   ASN  30           HB1      ASN  30 -11.191   6.180   3.884
  247   1HD2  ASN  30          1HD2      ASN  30  -9.389   7.936   5.333
  248   2HD2  ASN  30          2HD2      ASN  30  -9.785   7.760   7.013
  249    H    GLY  31           HN       GLY  31  -9.196   2.394   2.923
  250   1HA   GLY  31           HA1      GLY  31 -10.860   2.919   0.538
  251   2HA   GLY  31           HA2      GLY  31 -10.461   1.297   1.086
  252    H    LYS  32           HN       LYS  32  -8.138   3.910   1.130
  253    HA   LYS  32           HA       LYS  32  -6.942   2.969  -1.366
  254   1HB   LYS  32           HB2      LYS  32  -6.277   5.357   0.358
  255   2HB   LYS  32           HB1      LYS  32  -5.439   4.929  -1.133
  256   1HG   LYS  32           HG2      LYS  32  -7.353   5.381  -2.442
  257   2HG   LYS  32           HG1      LYS  32  -8.393   5.482  -1.017
  258   1HD   LYS  32           HD2      LYS  32  -7.243   7.478  -0.280
  259   2HD   LYS  32           HD1      LYS  32  -6.107   7.352  -1.625
  260   1HE   LYS  32           HE2      LYS  32  -7.814   7.820  -3.213
  261   2HE   LYS  32           HE1      LYS  32  -9.080   7.657  -1.993
  262   1HZ   LYS  32           HZ1      LYS  32  -6.947   9.701  -1.808
  263   2HZ   LYS  32           HZ3      LYS  32  -8.412   9.992  -2.610
  264   3HZ   LYS  32           HZ2      LYS  32  -8.411   9.634  -0.950
  265    H    CYS  33           HN       CYS  33  -4.768   2.455  -1.525
  266    HA   CYS  33           HA       CYS  33  -3.646   1.269   0.881
  267   1HB   CYS  33           HB2      CYS  33  -2.721   1.122  -1.992
  268   2HB   CYS  33           HB1      CYS  33  -2.117   0.145  -0.657
  269    H    HIS  34           HN       HIS  34  -2.609   2.710   2.086
  270    HA   HIS  34           HA       HIS  34  -1.061   4.850   0.856
  271   1HB   HIS  34           HB2      HIS  34  -1.895   4.219   3.679
  272   2HB   HIS  34           HB1      HIS  34  -0.640   5.410   3.356
  273    HD1  HIS  34           HD1      HIS  34  -1.486   7.719   3.206
  274    HD2  HIS  34           HD2      HIS  34  -4.387   4.940   2.108
  275    HE1  HIS  34           HE1      HIS  34  -3.563   9.052   2.729
  276    HE2  HIS  34           HE2      HIS  34  -5.341   7.350   2.184
  277    H    CYS  35           HN       CYS  35   0.720   3.871  -0.029
  278    HA   CYS  35           HA       CYS  35   2.321   2.172   1.718
  279   1HB   CYS  35           HB2      CYS  35   2.460   2.661  -1.263
  280   2HB   CYS  35           HB1      CYS  35   3.579   1.628  -0.377
  281    H    THR  36           HN       THR  36   4.132   2.826   2.594
  282    HA   THR  36           HA       THR  36   5.305   5.387   1.732
  283    HB   THR  36           HB       THR  36   5.765   3.949   4.358
  284    HG1  THR  36           HG1      THR  36   3.644   5.454   3.502
  285   1HG2  THR  36          1HG2      THR  36   6.315   6.783   3.474
  286   2HG2  THR  36          3HG2      THR  36   6.543   6.168   5.112
  287   3HG2  THR  36          2HG2      THR  36   7.517   5.533   3.786
  288    HA   PRO  37           HA       PRO  37   8.404   2.907  -0.165
  289   1HB   PRO  37           HB2      PRO  37  10.193   5.229   0.194
  290   2HB   PRO  37           HB1      PRO  37   9.667   4.437  -1.297
  291   1HG   PRO  37           HG2      PRO  37   8.731   6.839  -0.622
  292   2HG   PRO  37           HG1      PRO  37   7.674   5.628  -1.371
  293   1HD   PRO  37           HD2      PRO  37   7.924   6.392   1.520
  294   2HD   PRO  37           HD1      PRO  37   6.453   6.114   0.555
  295    H    LYS  38           HN       LYS  38  10.383   1.857   0.239
  296    HA   LYS  38           HA       LYS  38  10.967   1.477   2.987
  297   1HB   LYS  38           HB2      LYS  38  12.012   0.353   0.440
  298   2HB   LYS  38           HB1      LYS  38  13.034   0.256   1.868
  299   1HG   LYS  38           HG2      LYS  38  10.209  -0.694   1.925
  300   2HG   LYS  38           HG1      LYS  38  11.553  -1.730   1.417
  301   1HD   LYS  38           HD2      LYS  38  11.643  -0.169   3.956
  302   2HD   LYS  38           HD1      LYS  38  10.882  -1.762   3.902
  303   1HE   LYS  38           HE2      LYS  38  12.983  -2.737   3.157
  304   2HE   LYS  38           HE1      LYS  38  13.723  -1.137   3.098
  305   1HZ   LYS  38           HZ1      LYS  38  13.366  -0.956   5.505
  306   2HZ   LYS  38           HZ3      LYS  38  12.751  -2.534   5.536
  307   3HZ   LYS  38           HZ2      LYS  38  14.366  -2.259   5.105

  No H/Q in entry =         307
  Start of MODEL   10
    1    H1   GLY   1           HT2      GLY   1   4.680  10.778  -0.758
    2    H2   GLY   1           HT1      GLY   1   3.314  11.161   0.168
    3    H3   GLY   1           HT3      GLY   1   4.809  10.894   0.928
    4   1HA   GLY   1           HA2      GLY   1   3.251   9.001   1.136
    5   2HA   GLY   1           HA1      GLY   1   4.785   8.596   0.371
    6    H    VAL   2           HN       VAL   2   3.983   6.853  -0.798
    7    HA   VAL   2           HA       VAL   2   2.628   7.680  -3.235
    8    HB   VAL   2           HB       VAL   2   3.974   5.052  -2.588
    9   1HG1  VAL   2          2HG1      VAL   2   2.975   6.164  -5.210
   10   2HG1  VAL   2          1HG1      VAL   2   3.901   4.675  -5.013
   11   3HG1  VAL   2          3HG1      VAL   2   2.284   4.806  -4.322
   12   1HG2  VAL   2          3HG2      VAL   2   5.542   6.924  -2.591
   13   2HG2  VAL   2          2HG2      VAL   2   5.801   5.881  -3.989
   14   3HG2  VAL   2          1HG2      VAL   2   4.959   7.420  -4.181
   15    H    ILE   3           HN       ILE   3   0.522   7.838  -2.701
   16    HA   ILE   3           HA       ILE   3  -0.875   5.534  -1.613
   17    HB   ILE   3           HB       ILE   3  -1.651   7.558  -0.690
   18   1HG1  ILE   3          2HG1      ILE   3  -3.978   7.799  -1.590
   19   2HG1  ILE   3          1HG1      ILE   3  -3.539   6.676  -2.869
   20   1HG2  ILE   3          1HG2      ILE   3  -1.685   8.624  -3.494
   21   2HG2  ILE   3          3HG2      ILE   3  -2.519   9.423  -2.163
   22   3HG2  ILE   3          2HG2      ILE   3  -0.773   9.215  -2.102
   23   1HD1  ILE   3          1HD1      ILE   3  -3.046   4.972  -1.189
   24   2HD1  ILE   3          3HD1      ILE   3  -3.522   6.100   0.082
   25   3HD1  ILE   3          2HD1      ILE   3  -4.713   5.537  -1.090
   26    H    ILE   4           HN       ILE   4  -1.885   4.082  -2.848
   27    HA   ILE   4           HA       ILE   4  -2.152   4.688  -5.716
   28    HB   ILE   4           HB       ILE   4  -1.855   2.315  -6.192
   29   1HG1  ILE   4          2HG1      ILE   4  -1.381   2.029  -3.210
   30   2HG1  ILE   4          1HG1      ILE   4  -2.751   1.375  -4.103
   31   1HG2  ILE   4          2HG2      ILE   4   0.315   3.478  -4.454
   32   2HG2  ILE   4          1HG2      ILE   4   0.529   2.151  -5.600
   33   3HG2  ILE   4          3HG2      ILE   4   0.094   3.761  -6.180
   34   1HD1  ILE   4          3HD1      ILE   4   0.123   0.587  -4.516
   35   2HD1  ILE   4          2HD1      ILE   4  -1.069  -0.324  -3.590
   36   3HD1  ILE   4          1HD1      ILE   4  -1.280  -0.104  -5.328
   37    H    ASN   5           HN       ASN   5  -3.971   4.059  -6.812
   38    HA   ASN   5           HA       ASN   5  -6.373   3.933  -5.230
   39   1HB   ASN   5           HB2      ASN   5  -5.951   3.911  -8.227
   40   2HB   ASN   5           HB1      ASN   5  -7.523   3.998  -7.443
   41   1HD2  ASN   5          1HD2      ASN   5  -8.004   5.962  -8.374
   42   2HD2  ASN   5          2HD2      ASN   5  -7.241   7.435  -7.873
   43    H    VAL   6           HN       VAL   6  -5.621   1.782  -4.327
   44    HA   VAL   6           HA       VAL   6  -6.784  -0.378  -5.957
   45    HB   VAL   6           HB       VAL   6  -4.492  -0.592  -3.986
   46   1HG1  VAL   6          1HG1      VAL   6  -5.913  -2.750  -5.546
   47   2HG1  VAL   6          3HG1      VAL   6  -4.436  -2.975  -4.611
   48   3HG1  VAL   6          2HG1      VAL   6  -5.936  -2.532  -3.796
   49   1HG2  VAL   6          2HG2      VAL   6  -3.832   0.305  -6.164
   50   2HG2  VAL   6          1HG2      VAL   6  -3.181  -1.316  -5.914
   51   3HG2  VAL   6          3HG2      VAL   6  -4.578  -1.079  -6.963
   52    H    LYS   7           HN       LYS   7  -8.568  -1.226  -5.077
   53    HA   LYS   7           HA       LYS   7  -9.546  -0.269  -2.586
   54   1HB   LYS   7           HB2      LYS   7 -10.840  -1.100  -4.708
   55   2HB   LYS   7           HB1      LYS   7 -10.699  -2.678  -3.951
   56   1HG   LYS   7           HG2      LYS   7 -11.983  -0.258  -2.694
   57   2HG   LYS   7           HG1      LYS   7 -12.845  -1.578  -3.478
   58   1HD   LYS   7           HD2      LYS   7 -12.893  -2.650  -1.527
   59   2HD   LYS   7           HD1      LYS   7 -11.131  -2.763  -1.578
   60   1HE   LYS   7           HE2      LYS   7 -11.819  -1.741   0.509
   61   2HE   LYS   7           HE1      LYS   7 -10.992  -0.545  -0.487
   62   1HZ   LYS   7           HZ1      LYS   7 -13.944  -0.815  -0.302
   63   2HZ   LYS   7           HZ3      LYS   7 -13.029   0.291   0.597
   64   3HZ   LYS   7           HZ2      LYS   7 -13.083   0.415  -1.094
   65    H    CYS   8           HN       CYS   8  -8.300  -0.832  -0.919
   66    HA   CYS   8           HA       CYS   8  -7.277  -3.488  -0.576
   67   1HB   CYS   8           HB2      CYS   8  -6.456  -2.526   1.606
   68   2HB   CYS   8           HB1      CYS   8  -5.903  -1.690   0.158
   69    H    LYS   9           HN       LYS   9  -8.957  -4.955  -0.234
   70    HA   LYS   9           HA       LYS   9 -10.914  -4.541   1.805
   71   1HB   LYS   9           HB2      LYS   9  -9.960  -6.979   0.324
   72   2HB   LYS   9           HB1      LYS   9 -11.062  -7.132   1.684
   73   1HG   LYS   9           HG2      LYS   9 -12.526  -7.068  -0.073
   74   2HG   LYS   9           HG1      LYS   9 -12.470  -5.366   0.382
   75   1HD   LYS   9           HD2      LYS   9 -12.255  -5.263  -1.916
   76   2HD   LYS   9           HD1      LYS   9 -10.570  -5.230  -1.394
   77   1HE   LYS   9           HE2      LYS   9 -10.304  -7.563  -1.889
   78   2HE   LYS   9           HE1      LYS   9 -12.032  -7.741  -2.195
   79   1HZ   LYS   9           HZ3      LYS   9 -11.581  -5.953  -4.002
   80   2HZ   LYS   9           HZ2      LYS   9  -9.972  -6.477  -3.874
   81   3HZ   LYS   9           HZ1      LYS   9 -11.187  -7.575  -4.308
   82    H    ILE  10           HN       ILE  10  -7.701  -4.908   1.858
   83    HA   ILE  10           HA       ILE  10  -7.387  -5.153   4.657
   84    HB   ILE  10           HB       ILE  10  -5.779  -7.181   4.425
   85   1HG1  ILE  10          2HG1      ILE  10  -7.695  -7.801   2.171
   86   2HG1  ILE  10          1HG1      ILE  10  -5.992  -7.404   1.977
   87   1HG2  ILE  10          3HG2      ILE  10  -8.759  -7.569   4.530
   88   2HG2  ILE  10          2HG2      ILE  10  -7.560  -8.758   5.040
   89   3HG2  ILE  10          1HG2      ILE  10  -7.685  -7.214   5.884
   90   1HD1  ILE  10          2HD1      ILE  10  -7.088  -9.809   3.418
   91   2HD1  ILE  10          1HD1      ILE  10  -6.376  -9.797   1.804
   92   3HD1  ILE  10          3HD1      ILE  10  -5.380  -9.417   3.208
   93    H    SER  11           HN       SER  11  -5.130  -4.794   5.247
   94    HA   SER  11           HA       SER  11  -3.852  -3.047   3.407
   95   1HB   SER  11           HB2      SER  11  -2.862  -4.189   6.028
   96   2HB   SER  11           HB1      SER  11  -2.071  -2.892   5.131
   97    HG   SER  11           HG       SER  11  -3.873  -2.558   6.923
   98    H    ARG  12           HN       ARG  12  -3.594  -6.425   4.012
   99    HA   ARG  12           HA       ARG  12  -0.948  -6.906   3.250
  100   1HB   ARG  12           HB2      ARG  12  -3.419  -8.607   3.230
  101   2HB   ARG  12           HB1      ARG  12  -1.904  -9.221   2.584
  102   1HG   ARG  12           HG2      ARG  12  -2.023  -9.978   4.805
  103   2HG   ARG  12           HG1      ARG  12  -0.863  -8.652   4.806
  104   1HD   ARG  12           HD2      ARG  12  -2.765  -7.153   5.534
  105   2HD   ARG  12           HD1      ARG  12  -3.712  -8.621   5.779
  106    HE   ARG  12           HE       ARG  12  -1.137  -8.451   7.136
  107   1HH1  ARG  12          1HH1      ARG  12  -4.634  -8.309   7.343
  108   2HH1  ARG  12          2HH1      ARG  12  -4.656  -8.339   9.083
  109   1HH2  ARG  12          1HH2      ARG  12  -1.160  -8.544   9.395
  110   2HH2  ARG  12          2HH2      ARG  12  -2.678  -8.519  10.251
  111    H    GLN  13           HN       GLN  13  -3.861  -6.532   1.304
  112    HA   GLN  13           HA       GLN  13  -2.822  -7.418  -1.156
  113   1HB   GLN  13           HB2      GLN  13  -4.841  -5.200  -0.835
  114   2HB   GLN  13           HB1      GLN  13  -4.632  -6.264  -2.215
  115   1HG   GLN  13           HG2      GLN  13  -5.361  -8.148  -0.803
  116   2HG   GLN  13           HG1      GLN  13  -5.682  -6.995   0.494
  117   1HE2  GLN  13          1HE2      GLN  13  -6.507  -4.965  -1.501
  118   2HE2  GLN  13          2HE2      GLN  13  -8.098  -5.416  -2.000
  119    H    CYS  14           HN       CYS  14  -2.414  -4.505   0.632
  120    HA   CYS  14           HA       CYS  14  -1.505  -2.962  -1.646
  121   1HB   CYS  14           HB2      CYS  14  -1.564  -2.216   1.283
  122   2HB   CYS  14           HB1      CYS  14  -1.380  -1.117  -0.081
  123    H    LEU  15           HN       LEU  15  -0.185  -4.245   1.387
  124    HA   LEU  15           HA       LEU  15   2.305  -2.956   1.060
  125   1HB   LEU  15           HB2      LEU  15   1.485  -3.581   3.245
  126   2HB   LEU  15           HB1      LEU  15   1.549  -5.284   2.807
  127    HG   LEU  15           HG       LEU  15   4.021  -5.028   2.473
  128   1HD1  LEU  15          2HD1      LEU  15   3.539  -2.360   3.792
  129   2HD1  LEU  15          1HD1      LEU  15   5.118  -3.107   3.538
  130   3HD1  LEU  15          3HD1      LEU  15   4.131  -2.640   2.153
  131   1HD2  LEU  15          2HD2      LEU  15   2.930  -4.444   5.228
  132   2HD2  LEU  15          1HD2      LEU  15   3.131  -6.037   4.496
  133   3HD2  LEU  15          3HD2      LEU  15   4.548  -5.056   4.877
  134    H    LYS  16           HN       LYS  16   1.143  -6.141   0.052
  135    HA   LYS  16           HA       LYS  16   3.662  -7.338  -0.238
  136   1HB   LYS  16           HB2      LYS  16   1.390  -8.490  -0.359
  137   2HB   LYS  16           HB1      LYS  16   1.322  -7.976  -2.029
  138   1HG   LYS  16           HG2      LYS  16   3.460  -9.736  -0.852
  139   2HG   LYS  16           HG1      LYS  16   2.068 -10.288  -1.780
  140   1HD   LYS  16           HD2      LYS  16   2.862  -9.134  -3.747
  141   2HD   LYS  16           HD1      LYS  16   4.193  -8.420  -2.833
  142   1HE   LYS  16           HE2      LYS  16   5.077 -10.691  -2.421
  143   2HE   LYS  16           HE1      LYS  16   3.777 -11.354  -3.413
  144   1HZ   LYS  16           HZ2      LYS  16   4.640 -10.040  -5.287
  145   2HZ   LYS  16           HZ1      LYS  16   5.931  -9.513  -4.324
  146   3HZ   LYS  16           HZ3      LYS  16   5.776 -11.156  -4.705
  147    HA   PRO  17           HA       PRO  17   3.854  -5.856  -4.792
  148   1HB   PRO  17           HB2      PRO  17   2.136  -3.979  -5.689
  149   2HB   PRO  17           HB1      PRO  17   1.758  -5.707  -5.737
  150   1HG   PRO  17           HG2      PRO  17   0.922  -3.653  -3.717
  151   2HG   PRO  17           HG1      PRO  17  -0.065  -4.884  -4.537
  152   1HD   PRO  17           HD2      PRO  17   0.874  -5.255  -2.040
  153   2HD   PRO  17           HD1      PRO  17   0.717  -6.589  -3.197
  154    H    CYS  18           HN       CYS  18   3.078  -3.662  -2.186
  155    HA   CYS  18           HA       CYS  18   4.504  -1.446  -3.350
  156   1HB   CYS  18           HB2      CYS  18   3.306  -1.940  -0.630
  157   2HB   CYS  18           HB1      CYS  18   4.289  -0.517  -0.960
  158    H    LYS  19           HN       LYS  19   5.083  -3.512  -0.505
  159    HA   LYS  19           HA       LYS  19   7.703  -2.693  -0.010
  160   1HB   LYS  19           HB2      LYS  19   5.990  -4.132   1.347
  161   2HB   LYS  19           HB1      LYS  19   6.754  -5.482   0.522
  162   1HG   LYS  19           HG2      LYS  19   8.848  -5.014   1.507
  163   2HG   LYS  19           HG1      LYS  19   8.278  -3.459   2.126
  164   1HD   LYS  19           HD2      LYS  19   6.624  -4.673   3.513
  165   2HD   LYS  19           HD1      LYS  19   7.324  -6.195   2.958
  166   1HE   LYS  19           HE2      LYS  19   8.825  -4.033   4.410
  167   2HE   LYS  19           HE1      LYS  19   8.152  -5.475   5.172
  168   1HZ   LYS  19           HZ2      LYS  19   9.558  -6.808   3.662
  169   2HZ   LYS  19           HZ1      LYS  19  10.279  -5.381   3.098
  170   3HZ   LYS  19           HZ3      LYS  19  10.457  -5.837   4.723
  171    H    ASP  20           HN       ASP  20   6.363  -5.066  -2.182
  172    HA   ASP  20           HA       ASP  20   8.613  -6.536  -2.902
  173   1HB   ASP  20           HB2      ASP  20   6.216  -6.943  -3.600
  174   2HB   ASP  20           HB1      ASP  20   6.415  -5.660  -4.788
  175    H    ALA  21           HN       ALA  21   7.356  -3.525  -4.276
  176    HA   ALA  21           HA       ALA  21   9.569  -3.246  -6.097
  177   1HB   ALA  21           HB2      ALA  21   7.320  -2.469  -6.700
  178   2HB   ALA  21           HB3      ALA  21   8.500  -1.161  -6.758
  179   3HB   ALA  21           HB1      ALA  21   7.386  -1.282  -5.396
  180    H    GLY  22           HN       GLY  22   8.701  -2.100  -2.930
  181   1HA   GLY  22           HA1      GLY  22  11.068  -0.329  -2.906
  182   2HA   GLY  22           HA2      GLY  22  10.780  -1.479  -1.601
  183    H    MET  23           HN       MET  23   8.591  -1.324  -0.627
  184    HA   MET  23           HA       MET  23   8.184   1.424   0.199
  185   1HB   MET  23           HB2      MET  23   5.900  -0.362  -0.682
  186   2HB   MET  23           HB1      MET  23   5.730   1.217   0.072
  187   1HG   MET  23           HG2      MET  23   7.343   0.986  -2.394
  188   2HG   MET  23           HG1      MET  23   5.582   0.916  -2.529
  189   1HE   MET  23           HE2      MET  23   5.852   3.027  -4.179
  190   2HE   MET  23           HE1      MET  23   6.605   4.546  -3.695
  191   3HE   MET  23           HE3      MET  23   7.588   3.092  -3.881
  192    H    ARG  24           HN       ARG  24   9.101   0.915   2.065
  193    HA   ARG  24           HA       ARG  24   8.930  -1.366   3.568
  194   1HB   ARG  24           HB2      ARG  24  10.551  -0.054   4.409
  195   2HB   ARG  24           HB1      ARG  24   9.729   1.423   3.921
  196   1HG   ARG  24           HG2      ARG  24  10.011   1.382   6.322
  197   2HG   ARG  24           HG1      ARG  24   8.298   1.260   5.923
  198   1HD   ARG  24           HD2      ARG  24   8.706  -1.290   6.092
  199   2HD   ARG  24           HD1      ARG  24  10.148  -0.834   7.001
  200    HE   ARG  24           HE       ARG  24   7.452   0.061   7.783
  201   1HH1  ARG  24          1HH1      ARG  24  10.536  -1.383   8.583
  202   2HH1  ARG  24          2HH1      ARG  24  10.135  -1.620  10.258
  203   1HH2  ARG  24          1HH2      ARG  24   6.926  -0.239   9.980
  204   2HH2  ARG  24          2HH2      ARG  24   8.089  -0.941  11.057
  205    H    PHE  25           HN       PHE  25   6.840   1.524   3.817
  206    HA   PHE  25           HA       PHE  25   5.078  -0.007   5.602
  207   1HB   PHE  25           HB2      PHE  25   5.070   2.909   4.872
  208   2HB   PHE  25           HB1      PHE  25   3.883   2.154   5.924
  209    HD1  PHE  25           HD1      PHE  25   4.608   1.285   8.129
  210    HD2  PHE  25           HD2      PHE  25   7.194   3.574   5.641
  211    HE1  PHE  25           HE1      PHE  25   6.050   1.753  10.065
  212    HE2  PHE  25           HE2      PHE  25   8.645   4.035   7.574
  213    HZ   PHE  25           HZ       PHE  25   8.073   3.129   9.790
  214    H    GLY  26           HN       GLY  26   2.929  -0.354   5.110
  215   1HA   GLY  26           HA1      GLY  26   2.120  -1.029   2.613
  216   2HA   GLY  26           HA2      GLY  26   1.749   0.692   2.698
  217    H    LYS  27           HN       LYS  27   0.028   1.384   3.927
  218    HA   LYS  27           HA       LYS  27  -1.434  -0.739   5.331
  219   1HB   LYS  27           HB2      LYS  27  -2.138   0.887   7.012
  220   2HB   LYS  27           HB1      LYS  27  -0.389   0.728   6.966
  221   1HG   LYS  27           HG2      LYS  27  -0.130   2.821   5.923
  222   2HG   LYS  27           HG1      LYS  27  -1.853   2.928   5.544
  223   1HD   LYS  27           HD2      LYS  27  -2.346   3.005   7.961
  224   2HD   LYS  27           HD1      LYS  27  -0.615   2.983   8.296
  225   1HE   LYS  27           HE2      LYS  27  -0.307   5.098   7.256
  226   2HE   LYS  27           HE1      LYS  27  -1.949   5.084   6.610
  227   1HZ   LYS  27           HZ2      LYS  27  -1.283   5.160   9.510
  228   2HZ   LYS  27           HZ1      LYS  27  -1.694   6.516   8.576
  229   3HZ   LYS  27           HZ3      LYS  27  -2.826   5.282   8.817
  230    H    CYS  28           HN       CYS  28  -3.590  -0.819   5.108
  231    HA   CYS  28           HA       CYS  28  -4.756   0.574   2.892
  232   1HB   CYS  28           HB2      CYS  28  -5.400  -1.691   3.235
  233   2HB   CYS  28           HB1      CYS  28  -5.822  -1.397   4.915
  234    H    MET  29           HN       MET  29  -6.175   2.235   2.903
  235    HA   MET  29           HA       MET  29  -7.057   3.306   5.473
  236   1HB   MET  29           HB2      MET  29  -6.420   5.626   4.689
  237   2HB   MET  29           HB1      MET  29  -5.090   4.586   5.159
  238   1HG   MET  29           HG2      MET  29  -4.171   5.332   3.275
  239   2HG   MET  29           HG1      MET  29  -5.164   4.089   2.520
  240   1HE   MET  29           HE1      MET  29  -5.002   7.867   3.558
  241   2HE   MET  29           HE3      MET  29  -6.424   8.531   2.755
  242   3HE   MET  29           HE2      MET  29  -6.615   7.416   4.110
  243    H    ASN  30           HN       ASN  30  -9.142   2.911   5.157
  244    HA   ASN  30           HA       ASN  30 -11.277   3.306   4.505
  245   1HB   ASN  30           HB2      ASN  30 -10.007   5.797   3.363
  246   2HB   ASN  30           HB1      ASN  30 -11.745   5.522   3.428
  247   1HD2  ASN  30          1HD2      ASN  30 -12.807   5.610   5.373
  248   2HD2  ASN  30          2HD2      ASN  30 -12.073   6.207   6.823
  249    H    GLY  31           HN       GLY  31  -9.275   2.001   2.559
  250   1HA   GLY  31           HA1      GLY  31 -11.058   2.190   0.212
  251   2HA   GLY  31           HA2      GLY  31 -10.379   0.677   0.786
  252    H    LYS  32           HN       LYS  32  -8.064   3.063   1.107
  253    HA   LYS  32           HA       LYS  32  -6.919   2.409  -1.535
  254   1HB   LYS  32           HB2      LYS  32  -6.583   4.939   0.075
  255   2HB   LYS  32           HB1      LYS  32  -5.769   4.589  -1.454
  256   1HG   LYS  32           HG2      LYS  32  -7.888   4.572  -2.612
  257   2HG   LYS  32           HG1      LYS  32  -8.766   4.722  -1.089
  258   1HD   LYS  32           HD2      LYS  32  -8.771   6.880  -1.991
  259   2HD   LYS  32           HD1      LYS  32  -7.499   6.907  -0.767
  260   1HE   LYS  32           HE2      LYS  32  -5.797   6.730  -2.419
  261   2HE   LYS  32           HE1      LYS  32  -6.974   6.394  -3.688
  262   1HZ   LYS  32           HZ1      LYS  32  -6.777   8.949  -2.184
  263   2HZ   LYS  32           HZ3      LYS  32  -6.163   8.684  -3.744
  264   3HZ   LYS  32           HZ2      LYS  32  -7.835   8.614  -3.466
  265    H    CYS  33           HN       CYS  33  -4.465   2.731  -1.552
  266    HA   CYS  33           HA       CYS  33  -3.435   1.403   0.860
  267   1HB   CYS  33           HB2      CYS  33  -2.409   1.221  -1.971
  268   2HB   CYS  33           HB1      CYS  33  -1.810   0.319  -0.583
  269    H    HIS  34           HN       HIS  34  -2.582   3.011   2.060
  270    HA   HIS  34           HA       HIS  34  -0.833   5.006   0.934
  271   1HB   HIS  34           HB2      HIS  34  -2.140   4.483   3.471
  272   2HB   HIS  34           HB1      HIS  34  -0.457   4.965   3.700
  273    HD1  HIS  34           HD1      HIS  34  -0.473   7.379   4.260
  274    HD2  HIS  34           HD2      HIS  34  -3.178   6.431   1.249
  275    HE1  HIS  34           HE1      HIS  34  -1.502   9.563   3.548
  276    HE2  HIS  34           HE2      HIS  34  -3.010   8.965   1.610
  277    H    CYS  35           HN       CYS  35   0.957   4.062   0.054
  278    HA   CYS  35           HA       CYS  35   2.530   2.302   1.790
  279   1HB   CYS  35           HB2      CYS  35   2.646   2.675  -1.211
  280   2HB   CYS  35           HB1      CYS  35   3.703   1.614  -0.285
  281    H    THR  36           HN       THR  36   4.495   2.853   2.458
  282    HA   THR  36           HA       THR  36   5.576   5.460   1.583
  283    HB   THR  36           HB       THR  36   6.150   4.060   4.204
  284    HG1  THR  36           HG1      THR  36   3.889   5.179   3.482
  285   1HG2  THR  36          2HG2      THR  36   6.598   6.907   3.292
  286   2HG2  THR  36          1HG2      THR  36   6.928   6.285   4.910
  287   3HG2  THR  36          3HG2      THR  36   7.843   5.681   3.528
  288    HA   PRO  37           HA       PRO  37   8.522   3.065  -0.571
  289   1HB   PRO  37           HB2      PRO  37  10.295   5.418  -0.172
  290   2HB   PRO  37           HB1      PRO  37   9.811   4.613  -1.668
  291   1HG   PRO  37           HG2      PRO  37   8.759   6.954  -1.011
  292   2HG   PRO  37           HG1      PRO  37   7.749   5.684  -1.731
  293   1HD   PRO  37           HD2      PRO  37   7.968   6.543   1.131
  294   2HD   PRO  37           HD1      PRO  37   6.523   6.100   0.196
  295    H    LYS  38           HN       LYS  38  10.272   1.828  -0.297
  296    HA   LYS  38           HA       LYS  38  11.228   1.561   2.387
  297   1HB   LYS  38           HB2      LYS  38  10.776  -0.478   1.257
  298   2HB   LYS  38           HB1      LYS  38  11.764  -0.016  -0.127
  299   1HG   LYS  38           HG2      LYS  38  12.890  -1.664   1.236
  300   2HG   LYS  38           HG1      LYS  38  13.753  -0.124   1.316
  301   1HD   LYS  38           HD2      LYS  38  12.209   0.273   3.381
  302   2HD   LYS  38           HD1      LYS  38  12.094  -1.485   3.373
  303   1HE   LYS  38           HE2      LYS  38  13.901  -0.679   4.846
  304   2HE   LYS  38           HE1      LYS  38  14.508  -1.675   3.522
  305   1HZ   LYS  38           HZ2      LYS  38  14.443   1.284   3.362
  306   2HZ   LYS  38           HZ1      LYS  38  15.766   0.444   4.009
  307   3HZ   LYS  38           HZ3      LYS  38  15.314   0.200   2.395

  No H/Q in entry =         307
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1   4.145  10.596  -0.334
    2    H2   GLY   1           HT3      GLY   1   2.619  10.565   0.407
    3    H3   GLY   1           HT2      GLY   1   4.023  10.434   1.352
    4   1HA   GLY   1           HA2      GLY   1   2.950   8.286   1.092
    5   2HA   GLY   1           HA1      GLY   1   4.552   8.315   0.367
    6    H    VAL   2           HN       VAL   2   3.808   6.477  -0.894
    7    HA   VAL   2           HA       VAL   2   2.669   7.397  -3.396
    8    HB   VAL   2           HB       VAL   2   3.750   4.670  -2.654
    9   1HG1  VAL   2          1HG1      VAL   2   2.975   5.823  -5.337
   10   2HG1  VAL   2          3HG1      VAL   2   3.784   4.276  -5.089
   11   3HG1  VAL   2          2HG1      VAL   2   2.147   4.523  -4.478
   12   1HG2  VAL   2          1HG2      VAL   2   4.990   6.958  -4.183
   13   2HG2  VAL   2          3HG2      VAL   2   5.474   6.376  -2.589
   14   3HG2  VAL   2          2HG2      VAL   2   5.697   5.351  -4.007
   15    H    ILE   3           HN       ILE   3   0.545   7.653  -3.238
   16    HA   ILE   3           HA       ILE   3  -1.081   5.549  -1.994
   17    HB   ILE   3           HB       ILE   3  -2.167   8.144  -3.051
   18   1HG1  ILE   3          2HG1      ILE   3  -0.333   8.839  -1.630
   19   2HG1  ILE   3          1HG1      ILE   3  -1.849   9.124  -0.783
   20   1HG2  ILE   3          3HG2      ILE   3  -3.004   6.306  -0.819
   21   2HG2  ILE   3          2HG2      ILE   3  -3.821   7.804  -1.265
   22   3HG2  ILE   3          1HG2      ILE   3  -3.765   6.456  -2.402
   23   1HD1  ILE   3          2HD1      ILE   3   0.018   6.808  -0.319
   24   2HD1  ILE   3          1HD1      ILE   3  -0.142   8.238   0.702
   25   3HD1  ILE   3          3HD1      ILE   3  -1.490   7.114   0.543
   26    H    ILE   4           HN       ILE   4  -2.012   4.065  -3.293
   27    HA   ILE   4           HA       ILE   4  -2.527   4.863  -6.079
   28    HB   ILE   4           HB       ILE   4  -2.237   2.594  -6.802
   29   1HG1  ILE   4          2HG1      ILE   4  -1.686   1.895  -3.907
   30   2HG1  ILE   4          1HG1      ILE   4  -3.122   1.440  -4.818
   31   1HG2  ILE   4          3HG2      ILE   4   0.020   3.474  -5.013
   32   2HG2  ILE   4          2HG2      ILE   4   0.150   2.266  -6.290
   33   3HG2  ILE   4          1HG2      ILE   4  -0.238   3.938  -6.695
   34   1HD1  ILE   4          3HD1      ILE   4  -0.308   0.566  -5.429
   35   2HD1  ILE   4          2HD1      ILE   4  -1.557  -0.408  -4.653
   36   3HD1  ILE   4          1HD1      ILE   4  -1.754   0.105  -6.328
   37    H    ASN   5           HN       ASN   5  -4.408   4.020  -7.095
   38    HA   ASN   5           HA       ASN   5  -6.635   4.063  -5.244
   39   1HB   ASN   5           HB2      ASN   5  -8.025   4.298  -7.294
   40   2HB   ASN   5           HB1      ASN   5  -6.791   5.538  -7.136
   41   1HD2  ASN   5          1HD2      ASN   5  -8.222   4.629  -9.481
   42   2HD2  ASN   5          2HD2      ASN   5  -7.012   4.117 -10.616
   43    H    VAL   6           HN       VAL   6  -5.235   1.715  -5.017
   44    HA   VAL   6           HA       VAL   6  -7.041  -0.279  -6.200
   45    HB   VAL   6           HB       VAL   6  -4.444  -0.655  -4.681
   46   1HG1  VAL   6          2HG1      VAL   6  -6.240  -2.710  -5.965
   47   2HG1  VAL   6          1HG1      VAL   6  -4.642  -3.026  -5.287
   48   3HG1  VAL   6          3HG1      VAL   6  -5.959  -2.504  -4.235
   49   1HG2  VAL   6          2HG2      VAL   6  -5.122  -1.059  -7.591
   50   2HG2  VAL   6          1HG2      VAL   6  -4.106   0.217  -6.923
   51   3HG2  VAL   6          3HG2      VAL   6  -3.582  -1.464  -6.833
   52    H    LYS   7           HN       LYS   7  -8.615  -1.156  -4.975
   53    HA   LYS   7           HA       LYS   7  -9.128  -0.006  -2.425
   54   1HB   LYS   7           HB2      LYS   7 -10.801  -0.964  -4.217
   55   2HB   LYS   7           HB1      LYS   7 -10.559  -2.472  -3.346
   56   1HG   LYS   7           HG2      LYS   7 -11.466   0.100  -2.061
   57   2HG   LYS   7           HG1      LYS   7 -12.547  -1.180  -2.608
   58   1HD   LYS   7           HD2      LYS   7 -11.845  -2.654  -0.963
   59   2HD   LYS   7           HD1      LYS   7 -10.329  -1.794  -0.698
   60   1HE   LYS   7           HE2      LYS   7 -11.846  -1.453   1.169
   61   2HE   LYS   7           HE1      LYS   7 -11.551   0.061   0.317
   62   1HZ   LYS   7           HZ1      LYS   7 -13.681  -0.237  -0.830
   63   2HZ   LYS   7           HZ3      LYS   7 -13.965  -1.659   0.057
   64   3HZ   LYS   7           HZ2      LYS   7 -13.878  -0.160   0.851
   65    H    CYS   8           HN       CYS   8  -8.383  -0.568  -0.569
   66    HA   CYS   8           HA       CYS   8  -6.751  -2.940  -0.305
   67   1HB   CYS   8           HB2      CYS   8  -6.243  -1.926   1.929
   68   2HB   CYS   8           HB1      CYS   8  -5.866  -0.895   0.550
   69    H    LYS   9           HN       LYS   9  -8.448  -4.573  -0.383
   70    HA   LYS   9           HA       LYS   9 -10.517  -4.805   1.480
   71   1HB   LYS   9           HB2      LYS   9  -8.858  -6.826   0.011
   72   2HB   LYS   9           HB1      LYS   9  -9.971  -7.364   1.260
   73   1HG   LYS   9           HG2      LYS   9 -11.029  -7.535  -0.887
   74   2HG   LYS   9           HG1      LYS   9 -11.819  -6.275   0.057
   75   1HD   LYS   9           HD2      LYS   9 -11.565  -5.495  -2.196
   76   2HD   LYS   9           HD1      LYS   9 -10.457  -4.587  -1.166
   77   1HE   LYS   9           HE2      LYS   9  -9.346  -5.215  -3.225
   78   2HE   LYS   9           HE1      LYS   9  -8.623  -6.069  -1.863
   79   1HZ   LYS   9           HZ3      LYS   9 -10.669  -7.247  -3.671
   80   2HZ   LYS   9           HZ2      LYS   9  -8.995  -7.470  -3.846
   81   3HZ   LYS   9           HZ1      LYS   9  -9.783  -8.051  -2.465
   82    H    ILE  10           HN       ILE  10  -7.172  -5.005   1.812
   83    HA   ILE  10           HA       ILE  10  -7.184  -4.898   4.642
   84    HB   ILE  10           HB       ILE  10  -5.512  -6.834   4.890
   85   1HG1  ILE  10          2HG1      ILE  10  -6.927  -7.790   2.395
   86   2HG1  ILE  10          1HG1      ILE  10  -5.238  -7.303   2.493
   87   1HG2  ILE  10          1HG2      ILE  10  -7.683  -6.869   5.956
   88   2HG2  ILE  10          3HG2      ILE  10  -8.419  -7.489   4.479
   89   3HG2  ILE  10          2HG2      ILE  10  -7.261  -8.477   5.368
   90   1HD1  ILE  10          1HD1      ILE  10  -6.483  -9.634   3.930
   91   2HD1  ILE  10          3HD1      ILE  10  -5.473  -9.721   2.489
   92   3HD1  ILE  10          2HD1      ILE  10  -4.789  -9.153   4.012
   93    H    SER  11           HN       SER  11  -4.788  -4.708   5.389
   94    HA   SER  11           HA       SER  11  -3.515  -2.861   3.656
   95   1HB   SER  11           HB2      SER  11  -2.455  -4.281   6.109
   96   2HB   SER  11           HB1      SER  11  -1.680  -2.904   5.325
   97    HG   SER  11           HG       SER  11  -3.243  -2.591   7.213
   98    H    ARG  12           HN       ARG  12  -3.029  -6.270   4.306
   99    HA   ARG  12           HA       ARG  12  -0.536  -6.677   3.133
  100   1HB   ARG  12           HB2      ARG  12  -2.910  -8.538   3.261
  101   2HB   ARG  12           HB1      ARG  12  -1.279  -9.029   2.824
  102   1HG   ARG  12           HG2      ARG  12  -0.483  -8.352   5.029
  103   2HG   ARG  12           HG1      ARG  12  -2.120  -7.859   5.466
  104   1HD   ARG  12           HD2      ARG  12  -1.593 -10.076   6.345
  105   2HD   ARG  12           HD1      ARG  12  -2.904 -10.143   5.169
  106    HE   ARG  12           HE       ARG  12  -0.978 -10.774   3.560
  107   1HH1  ARG  12          1HH1      ARG  12  -1.213 -11.685   6.930
  108   2HH1  ARG  12          2HH1      ARG  12  -0.362 -13.188   6.719
  109   1HH2  ARG  12          1HH2      ARG  12   0.192 -12.718   3.282
  110   2HH2  ARG  12          2HH2      ARG  12   0.476 -13.753   4.649
  111    H    GLN  13           HN       GLN  13  -3.649  -6.223   1.656
  112    HA   GLN  13           HA       GLN  13  -3.277  -7.382  -0.842
  113   1HB   GLN  13           HB2      GLN  13  -4.859  -4.960   0.002
  114   2HB   GLN  13           HB1      GLN  13  -4.902  -5.581  -1.636
  115   1HG   GLN  13           HG2      GLN  13  -5.696  -7.082   0.844
  116   2HG   GLN  13           HG1      GLN  13  -6.793  -6.349  -0.322
  117   1HE2  GLN  13          1HE2      GLN  13  -5.234  -7.158  -2.649
  118   2HE2  GLN  13          2HE2      GLN  13  -5.477  -8.865  -2.818
  119    H    CYS  14           HN       CYS  14  -2.094  -4.304   0.395
  120    HA   CYS  14           HA       CYS  14  -1.047  -3.718  -2.288
  121   1HB   CYS  14           HB2      CYS  14  -2.582  -2.043  -1.046
  122   2HB   CYS  14           HB1      CYS  14  -1.161  -1.680  -0.086
  123    H    LEU  15           HN       LEU  15  -0.096  -4.524   0.929
  124    HA   LEU  15           HA       LEU  15   2.423  -3.188   0.786
  125   1HB   LEU  15           HB2      LEU  15   0.994  -4.156   2.852
  126   2HB   LEU  15           HB1      LEU  15   2.176  -5.445   2.663
  127    HG   LEU  15           HG       LEU  15   2.926  -2.543   2.899
  128   1HD1  LEU  15          1HD1      LEU  15   2.766  -4.651   5.064
  129   2HD1  LEU  15          3HD1      LEU  15   3.509  -3.063   5.253
  130   3HD1  LEU  15          2HD1      LEU  15   1.779  -3.195   4.941
  131   1HD2  LEU  15          3HD2      LEU  15   4.526  -5.075   3.191
  132   2HD2  LEU  15          2HD2      LEU  15   4.630  -3.898   1.880
  133   3HD2  LEU  15          1HD2      LEU  15   5.125  -3.448   3.512
  134    H    LYS  16           HN       LYS  16   1.337  -6.496   0.144
  135    HA   LYS  16           HA       LYS  16   3.849  -7.632  -0.226
  136   1HB   LYS  16           HB2      LYS  16   2.008  -9.113  -0.199
  137   2HB   LYS  16           HB1      LYS  16   1.194  -8.266  -1.502
  138   1HG   LYS  16           HG2      LYS  16   2.098 -10.391  -2.253
  139   2HG   LYS  16           HG1      LYS  16   2.868  -9.042  -3.081
  140   1HD   LYS  16           HD2      LYS  16   4.610 -10.536  -2.554
  141   2HD   LYS  16           HD1      LYS  16   4.731  -9.240  -1.366
  142   1HE   LYS  16           HE2      LYS  16   3.217 -11.762  -0.780
  143   2HE   LYS  16           HE1      LYS  16   4.961 -11.676  -0.569
  144   1HZ   LYS  16           HZ2      LYS  16   4.589  -9.767   0.934
  145   2HZ   LYS  16           HZ1      LYS  16   2.915 -10.026   0.817
  146   3HZ   LYS  16           HZ3      LYS  16   3.914 -11.213   1.501
  147    HA   PRO  17           HA       PRO  17   3.854  -5.940  -4.769
  148   1HB   PRO  17           HB2      PRO  17   1.917  -3.726  -4.658
  149   2HB   PRO  17           HB1      PRO  17   2.150  -4.954  -5.904
  150   1HG   PRO  17           HG2      PRO  17   0.012  -4.985  -4.289
  151   2HG   PRO  17           HG1      PRO  17   0.787  -6.483  -4.839
  152   1HD   PRO  17           HD2      PRO  17   1.037  -5.073  -2.206
  153   2HD   PRO  17           HD1      PRO  17   0.862  -6.804  -2.542
  154    H    CYS  18           HN       CYS  18   3.122  -3.715  -2.045
  155    HA   CYS  18           HA       CYS  18   4.674  -1.608  -3.180
  156   1HB   CYS  18           HB2      CYS  18   3.403  -2.029  -0.494
  157   2HB   CYS  18           HB1      CYS  18   4.497  -0.674  -0.767
  158    H    LYS  19           HN       LYS  19   5.314  -3.813  -0.428
  159    HA   LYS  19           HA       LYS  19   7.904  -2.740   0.017
  160   1HB   LYS  19           HB2      LYS  19   6.583  -4.026   1.710
  161   2HB   LYS  19           HB1      LYS  19   6.920  -5.488   0.793
  162   1HG   LYS  19           HG2      LYS  19   9.277  -5.271   1.200
  163   2HG   LYS  19           HG1      LYS  19   9.041  -3.702   1.971
  164   1HD   LYS  19           HD2      LYS  19   7.832  -6.270   2.989
  165   2HD   LYS  19           HD1      LYS  19   9.376  -5.630   3.551
  166   1HE   LYS  19           HE2      LYS  19   8.271  -3.605   4.327
  167   2HE   LYS  19           HE1      LYS  19   6.729  -4.190   3.707
  168   1HZ   LYS  19           HZ3      LYS  19   8.323  -5.524   5.832
  169   2HZ   LYS  19           HZ2      LYS  19   6.970  -4.542   6.109
  170   3HZ   LYS  19           HZ1      LYS  19   6.797  -6.008   5.271
  171    H    ASP  20           HN       ASP  20   6.652  -5.132  -2.150
  172    HA   ASP  20           HA       ASP  20   9.127  -6.358  -2.835
  173   1HB   ASP  20           HB2      ASP  20   6.930  -7.390  -3.313
  174   2HB   ASP  20           HB1      ASP  20   6.591  -6.106  -4.468
  175    H    ALA  21           HN       ALA  21   7.389  -3.520  -3.915
  176    HA   ALA  21           HA       ALA  21   9.301  -2.985  -6.043
  177   1HB   ALA  21           HB3      ALA  21   6.913  -2.518  -6.402
  178   2HB   ALA  21           HB1      ALA  21   7.898  -1.063  -6.556
  179   3HB   ALA  21           HB2      ALA  21   6.956  -1.338  -5.092
  180    H    GLY  22           HN       GLY  22   9.191  -2.543  -2.764
  181   1HA   GLY  22           HA1      GLY  22  11.165  -0.372  -2.931
  182   2HA   GLY  22           HA2      GLY  22  11.014  -1.511  -1.597
  183    H    MET  23           HN       MET  23   8.642  -1.413  -0.664
  184    HA   MET  23           HA       MET  23   8.385   1.347   0.274
  185   1HB   MET  23           HB2      MET  23   6.011  -0.432  -0.328
  186   2HB   MET  23           HB1      MET  23   5.965   1.228   0.258
  187   1HG   MET  23           HG2      MET  23   7.366   0.632  -2.271
  188   2HG   MET  23           HG1      MET  23   5.599   0.671  -2.275
  189   1HE   MET  23           HE1      MET  23   5.778   2.566  -4.147
  190   2HE   MET  23           HE3      MET  23   6.686   4.064  -3.939
  191   3HE   MET  23           HE2      MET  23   7.539   2.523  -4.054
  192    H    ARG  24           HN       ARG  24   8.912   1.240   2.322
  193    HA   ARG  24           HA       ARG  24   9.066  -1.087   3.823
  194   1HB   ARG  24           HB2      ARG  24   9.977   0.307   5.413
  195   2HB   ARG  24           HB1      ARG  24  10.289   1.167   3.926
  196   1HG   ARG  24           HG2      ARG  24   8.423   2.647   4.350
  197   2HG   ARG  24           HG1      ARG  24   8.033   1.770   5.831
  198   1HD   ARG  24           HD2      ARG  24   9.275   3.813   6.318
  199   2HD   ARG  24           HD1      ARG  24  10.200   2.384   6.770
  200    HE   ARG  24           HE       ARG  24  10.795   3.350   4.125
  201   1HH1  ARG  24          1HH1      ARG  24  11.522   3.727   7.525
  202   2HH1  ARG  24          2HH1      ARG  24  13.127   4.335   7.255
  203   1HH2  ARG  24          1HH2      ARG  24  12.902   4.139   3.747
  204   2HH2  ARG  24          2HH2      ARG  24  13.901   4.604   5.103
  205    H    PHE  25           HN       PHE  25   6.451   1.136   3.315
  206    HA   PHE  25           HA       PHE  25   4.830  -0.458   5.183
  207   1HB   PHE  25           HB2      PHE  25   4.826   2.537   4.856
  208   2HB   PHE  25           HB1      PHE  25   3.437   1.674   5.502
  209    HD1  PHE  25           HD1      PHE  25   4.017   0.015   7.484
  210    HD2  PHE  25           HD2      PHE  25   6.377   3.358   6.320
  211    HE1  PHE  25           HE1      PHE  25   5.037   0.071   9.724
  212    HE2  PHE  25           HE2      PHE  25   7.400   3.419   8.555
  213    HZ   PHE  25           HZ       PHE  25   6.702   1.771  10.273
  214    H    GLY  26           HN       GLY  26   2.631  -0.648   4.649
  215   1HA   GLY  26           HA1      GLY  26   1.905  -1.297   2.104
  216   2HA   GLY  26           HA2      GLY  26   1.533   0.423   2.220
  217    H    LYS  27           HN       LYS  27  -0.237   1.067   3.412
  218    HA   LYS  27           HA       LYS  27  -1.557  -1.019   5.011
  219   1HB   LYS  27           HB2      LYS  27  -1.090   1.872   5.743
  220   2HB   LYS  27           HB1      LYS  27  -2.141   0.787   6.640
  221   1HG   LYS  27           HG2      LYS  27   0.825   0.440   6.240
  222   2HG   LYS  27           HG1      LYS  27   0.029   1.008   7.710
  223   1HD   LYS  27           HD2      LYS  27  -1.216  -1.170   7.762
  224   2HD   LYS  27           HD1      LYS  27  -0.177  -1.721   6.447
  225   1HE   LYS  27           HE2      LYS  27   0.664  -2.497   8.599
  226   2HE   LYS  27           HE1      LYS  27   1.795  -1.368   7.856
  227   1HZ   LYS  27           HZ3      LYS  27  -0.188  -0.627   9.940
  228   2HZ   LYS  27           HZ2      LYS  27   1.443  -0.967  10.252
  229   3HZ   LYS  27           HZ1      LYS  27   1.023   0.369   9.294
  230    H    CYS  28           HN       CYS  28  -3.764  -0.975   5.145
  231    HA   CYS  28           HA       CYS  28  -5.134   0.451   3.045
  232   1HB   CYS  28           HB2      CYS  28  -5.843  -1.814   3.506
  233   2HB   CYS  28           HB1      CYS  28  -6.152  -1.419   5.190
  234    H    MET  29           HN       MET  29  -6.168   2.322   3.246
  235    HA   MET  29           HA       MET  29  -6.921   3.224   5.921
  236   1HB   MET  29           HB2      MET  29  -5.369   4.923   3.954
  237   2HB   MET  29           HB1      MET  29  -6.016   5.471   5.493
  238   1HG   MET  29           HG2      MET  29  -4.547   3.835   6.637
  239   2HG   MET  29           HG1      MET  29  -3.853   3.421   5.074
  240   1HE   MET  29           HE2      MET  29  -2.147   4.365   7.615
  241   2HE   MET  29           HE1      MET  29  -1.420   3.938   6.065
  242   3HE   MET  29           HE3      MET  29  -0.998   5.461   6.849
  243    H    ASN  30           HN       ASN  30  -9.013   3.277   5.720
  244    HA   ASN  30           HA       ASN  30 -11.095   3.927   5.138
  245   1HB   ASN  30           HB2      ASN  30  -9.993   6.179   4.771
  246   2HB   ASN  30           HB1      ASN  30  -9.893   5.759   3.062
  247   1HD2  ASN  30          1HD2      ASN  30 -11.987   6.567   5.700
  248   2HD2  ASN  30          2HD2      ASN  30 -13.403   6.885   4.745
  249    H    GLY  31           HN       GLY  31  -9.463   4.216   1.985
  250   1HA   GLY  31           HA1      GLY  31 -11.162   3.358   0.204
  251   2HA   GLY  31           HA2      GLY  31 -10.937   1.848   1.070
  252    H    LYS  32           HN       LYS  32  -8.364   4.172   0.546
  253    HA   LYS  32           HA       LYS  32  -7.302   2.518  -1.628
  254   1HB   LYS  32           HB2      LYS  32  -5.592   4.642  -1.472
  255   2HB   LYS  32           HB1      LYS  32  -6.988   4.543  -2.547
  256   1HG   LYS  32           HG2      LYS  32  -8.331   5.706  -0.815
  257   2HG   LYS  32           HG1      LYS  32  -6.864   5.877   0.150
  258   1HD   LYS  32           HD2      LYS  32  -7.297   7.913  -1.113
  259   2HD   LYS  32           HD1      LYS  32  -5.817   7.134  -1.679
  260   1HE   LYS  32           HE2      LYS  32  -7.117   6.113  -3.523
  261   2HE   LYS  32           HE1      LYS  32  -8.533   7.014  -2.984
  262   1HZ   LYS  32           HZ1      LYS  32  -7.258   9.076  -3.361
  263   2HZ   LYS  32           HZ3      LYS  32  -5.982   8.155  -3.997
  264   3HZ   LYS  32           HZ2      LYS  32  -7.485   8.173  -4.778
  265    H    CYS  33           HN       CYS  33  -4.955   2.237  -1.731
  266    HA   CYS  33           HA       CYS  33  -3.939   1.449   0.886
  267   1HB   CYS  33           HB2      CYS  33  -2.985  -0.261  -0.223
  268   2HB   CYS  33           HB1      CYS  33  -3.774   0.321  -1.690
  269    H    HIS  34           HN       HIS  34  -2.480   2.564   1.919
  270    HA   HIS  34           HA       HIS  34  -1.088   4.752   0.544
  271   1HB   HIS  34           HB2      HIS  34  -1.846   4.342   3.433
  272   2HB   HIS  34           HB1      HIS  34  -0.873   5.695   2.862
  273    HD1  HIS  34           HD1      HIS  34  -4.297   4.177   2.132
  274    HD2  HIS  34           HD2      HIS  34  -2.391   7.859   2.309
  275    HE1  HIS  34           HE1      HIS  34  -6.083   5.878   1.689
  276    HE2  HIS  34           HE2      HIS  34  -4.840   8.054   1.536
  277    H    CYS  35           HN       CYS  35   0.933   4.127  -0.001
  278    HA   CYS  35           HA       CYS  35   2.350   2.350   1.853
  279   1HB   CYS  35           HB2      CYS  35   2.609   2.676  -1.132
  280   2HB   CYS  35           HB1      CYS  35   3.761   1.764  -0.162
  281    H    THR  36           HN       THR  36   4.161   2.950   2.773
  282    HA   THR  36           HA       THR  36   5.458   5.458   1.958
  283    HB   THR  36           HB       THR  36   5.992   3.819   4.449
  284    HG1  THR  36           HG1      THR  36   4.012   5.737   3.881
  285   1HG2  THR  36          3HG2      THR  36   6.579   6.705   3.770
  286   2HG2  THR  36          2HG2      THR  36   6.918   5.925   5.314
  287   3HG2  THR  36          1HG2      THR  36   7.762   5.400   3.856
  288    HA   PRO  37           HA       PRO  37   8.290   2.922  -0.255
  289   1HB   PRO  37           HB2      PRO  37  10.188   5.167  -0.171
  290   2HB   PRO  37           HB1      PRO  37   9.359   4.444  -1.553
  291   1HG   PRO  37           HG2      PRO  37   8.709   6.884  -0.640
  292   2HG   PRO  37           HG1      PRO  37   7.491   5.775  -1.299
  293   1HD   PRO  37           HD2      PRO  37   8.155   6.369   1.567
  294   2HD   PRO  37           HD1      PRO  37   6.560   6.212   0.792
  295    H    LYS  38           HN       LYS  38  10.318   1.901  -0.171
  296    HA   LYS  38           HA       LYS  38  11.301   1.482   2.467
  297   1HB   LYS  38           HB2      LYS  38  11.801   0.320  -0.210
  298   2HB   LYS  38           HB1      LYS  38  13.108   0.181   0.958
  299   1HG   LYS  38           HG2      LYS  38  10.303  -0.682   1.574
  300   2HG   LYS  38           HG1      LYS  38  11.491  -1.752   0.820
  301   1HD   LYS  38           HD2      LYS  38  13.009  -1.236   2.760
  302   2HD   LYS  38           HD1      LYS  38  11.629  -0.435   3.522
  303   1HE   LYS  38           HE2      LYS  38  10.364  -2.499   3.465
  304   2HE   LYS  38           HE1      LYS  38  11.676  -3.306   2.607
  305   1HZ   LYS  38           HZ2      LYS  38  13.093  -2.877   4.562
  306   2HZ   LYS  38           HZ1      LYS  38  11.752  -2.262   5.386
  307   3HZ   LYS  38           HZ3      LYS  38  11.779  -3.888   4.902

  No H/Q in entry =         307
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1   3.438  10.469  -0.388
    2    H2   GLY   1           HT3      GLY   1   2.323   9.724   0.654
    3    H3   GLY   1           HT2      GLY   1   3.898  10.052   1.189
    4   1HA   GLY   1           HA2      GLY   1   3.593   7.704   0.677
    5   2HA   GLY   1           HA1      GLY   1   4.821   8.467  -0.324
    6    H    VAL   2           HN       VAL   2   3.857   6.181  -1.246
    7    HA   VAL   2           HA       VAL   2   2.647   7.013  -3.724
    8    HB   VAL   2           HB       VAL   2   3.403   4.230  -2.821
    9   1HG1  VAL   2          1HG1      VAL   2   2.849   5.363  -5.561
   10   2HG1  VAL   2          3HG1      VAL   2   3.457   3.740  -5.238
   11   3HG1  VAL   2          2HG1      VAL   2   1.851   4.207  -4.677
   12   1HG2  VAL   2          2HG2      VAL   2   5.000   6.260  -4.381
   13   2HG2  VAL   2          1HG2      VAL   2   5.346   5.675  -2.754
   14   3HG2  VAL   2          3HG2      VAL   2   5.463   4.576  -4.129
   15    H    ILE   3           HN       ILE   3   0.545   7.466  -3.547
   16    HA   ILE   3           HA       ILE   3  -1.216   5.612  -2.123
   17    HB   ILE   3           HB       ILE   3  -1.977   8.207  -3.466
   18   1HG1  ILE   3          2HG1      ILE   3  -0.288   8.713  -1.809
   19   2HG1  ILE   3          1HG1      ILE   3  -1.858   9.199  -1.181
   20   1HG2  ILE   3          3HG2      ILE   3  -3.824   6.660  -2.997
   21   2HG2  ILE   3          2HG2      ILE   3  -3.346   6.619  -1.299
   22   3HG2  ILE   3          1HG2      ILE   3  -3.926   8.123  -2.014
   23   1HD1  ILE   3          2HD1      ILE   3  -0.381   6.677  -0.463
   24   2HD1  ILE   3          1HD1      ILE   3  -0.496   8.130   0.530
   25   3HD1  ILE   3          3HD1      ILE   3  -1.942   7.181   0.182
   26    H    ILE   4           HN       ILE   4  -1.859   3.913  -3.292
   27    HA   ILE   4           HA       ILE   4  -2.346   4.269  -6.160
   28    HB   ILE   4           HB       ILE   4  -2.471   1.770  -6.230
   29   1HG1  ILE   4          2HG1      ILE   4  -1.512   2.018  -3.368
   30   2HG1  ILE   4          1HG1      ILE   4  -3.057   1.354  -3.892
   31   1HG2  ILE   4          1HG2      ILE   4   0.073   2.997  -5.177
   32   2HG2  ILE   4          3HG2      ILE   4  -0.039   1.443  -6.002
   33   3HG2  ILE   4          2HG2      ILE   4  -0.446   2.927  -6.861
   34   1HD1  ILE   4          1HD1      ILE   4  -0.350   0.202  -4.522
   35   2HD1  ILE   4          3HD1      ILE   4  -1.466  -0.390  -3.291
   36   3HD1  ILE   4          2HD1      ILE   4  -1.906  -0.479  -4.997
   37    H    ASN   5           HN       ASN   5  -4.276   3.641  -7.137
   38    HA   ASN   5           HA       ASN   5  -6.583   4.188  -5.519
   39   1HB   ASN   5           HB2      ASN   5  -6.311   3.531  -8.456
   40   2HB   ASN   5           HB1      ASN   5  -7.824   3.978  -7.677
   41   1HD2  ASN   5          1HD2      ASN   5  -8.083   5.807  -8.917
   42   2HD2  ASN   5          2HD2      ASN   5  -7.096   7.212  -8.728
   43    H    VAL   6           HN       VAL   6  -4.980   1.473  -5.579
   44    HA   VAL   6           HA       VAL   6  -7.020  -0.462  -6.102
   45    HB   VAL   6           HB       VAL   6  -4.555  -0.738  -4.356
   46   1HG1  VAL   6          1HG1      VAL   6  -6.308  -2.824  -5.660
   47   2HG1  VAL   6          3HG1      VAL   6  -4.796  -3.147  -4.808
   48   3HG1  VAL   6          2HG1      VAL   6  -6.180  -2.489  -3.932
   49   1HG2  VAL   6          1HG2      VAL   6  -4.933  -1.322  -7.293
   50   2HG2  VAL   6          3HG2      VAL   6  -3.909  -0.071  -6.587
   51   3HG2  VAL   6          2HG2      VAL   6  -3.517  -1.773  -6.344
   52    H    LYS   7           HN       LYS   7  -8.693  -1.025  -4.790
   53    HA   LYS   7           HA       LYS   7  -8.986   0.317  -2.276
   54   1HB   LYS   7           HB2      LYS   7 -10.901  -0.466  -3.832
   55   2HB   LYS   7           HB1      LYS   7 -10.663  -2.046  -3.098
   56   1HG   LYS   7           HG2      LYS   7 -11.282   0.474  -1.560
   57   2HG   LYS   7           HG1      LYS   7 -12.480  -0.719  -2.053
   58   1HD   LYS   7           HD2      LYS   7 -11.623  -2.351  -0.617
   59   2HD   LYS   7           HD1      LYS   7 -10.095  -1.496  -0.413
   60   1HE   LYS   7           HE2      LYS   7 -11.295   0.290   0.805
   61   2HE   LYS   7           HE1      LYS   7 -12.784  -0.644   0.657
   62   1HZ   LYS   7           HZ1      LYS   7 -10.321  -1.555   2.055
   63   2HZ   LYS   7           HZ3      LYS   7 -11.713  -0.965   2.814
   64   3HZ   LYS   7           HZ2      LYS   7 -11.776  -2.418   1.946
   65    H    CYS   8           HN       CYS   8  -8.006  -0.205  -0.549
   66    HA   CYS   8           HA       CYS   8  -6.466  -2.532  -0.208
   67   1HB   CYS   8           HB2      CYS   8  -6.187  -1.636   2.110
   68   2HB   CYS   8           HB1      CYS   8  -5.836  -0.474   0.836
   69    H    LYS   9           HN       LYS   9  -8.009  -4.271  -0.539
   70    HA   LYS   9           HA       LYS   9 -10.244  -4.747   1.089
   71   1HB   LYS   9           HB2      LYS   9  -8.384  -6.894   0.055
   72   2HB   LYS   9           HB1      LYS   9 -10.101  -7.044   0.404
   73   1HG   LYS   9           HG2      LYS   9  -8.904  -5.370  -1.794
   74   2HG   LYS   9           HG1      LYS   9  -9.647  -6.956  -1.995
   75   1HD   LYS   9           HD2      LYS   9 -11.790  -6.101  -1.313
   76   2HD   LYS   9           HD1      LYS   9 -11.079  -4.538  -0.890
   77   1HE   LYS   9           HE2      LYS   9 -10.521  -4.128  -3.208
   78   2HE   LYS   9           HE1      LYS   9 -11.099  -5.730  -3.661
   79   1HZ   LYS   9           HZ2      LYS   9 -12.818  -3.625  -2.462
   80   2HZ   LYS   9           HZ1      LYS   9 -12.690  -3.915  -4.131
   81   3HZ   LYS   9           HZ3      LYS   9 -13.316  -5.111  -3.103
   82    H    ILE  10           HN       ILE  10  -6.930  -4.907   1.632
   83    HA   ILE  10           HA       ILE  10  -7.007  -5.131   4.435
   84    HB   ILE  10           HB       ILE  10  -5.510  -7.147   4.651
   85   1HG1  ILE  10          2HG1      ILE  10  -5.130  -7.280   2.102
   86   2HG1  ILE  10          1HG1      ILE  10  -5.262  -8.777   3.013
   87   1HG2  ILE  10          3HG2      ILE  10  -7.773  -7.254   5.438
   88   2HG2  ILE  10          2HG2      ILE  10  -8.342  -7.714   3.833
   89   3HG2  ILE  10          1HG2      ILE  10  -7.296  -8.805   4.744
   90   1HD1  ILE  10          1HD1      ILE  10  -7.580  -9.008   2.272
   91   2HD1  ILE  10          3HD1      ILE  10  -7.426  -7.514   1.350
   92   3HD1  ILE  10          2HD1      ILE  10  -6.455  -8.921   0.916
   93    H    SER  11           HN       SER  11  -4.856  -4.680   5.288
   94    HA   SER  11           HA       SER  11  -3.283  -3.147   3.511
   95   1HB   SER  11           HB2      SER  11  -2.539  -4.219   6.245
   96   2HB   SER  11           HB1      SER  11  -1.695  -2.931   5.381
   97    HG   SER  11           HG       SER  11  -3.373  -2.315   7.012
   98    H    ARG  12           HN       ARG  12  -3.171  -6.469   4.491
   99    HA   ARG  12           HA       ARG  12  -0.582  -7.183   3.779
  100   1HB   ARG  12           HB2      ARG  12  -3.020  -8.880   3.249
  101   2HB   ARG  12           HB1      ARG  12  -1.379  -9.433   3.541
  102   1HG   ARG  12           HG2      ARG  12  -1.523  -8.579   5.842
  103   2HG   ARG  12           HG1      ARG  12  -3.194  -8.098   5.536
  104   1HD   ARG  12           HD2      ARG  12  -2.046 -10.882   5.554
  105   2HD   ARG  12           HD1      ARG  12  -3.246 -10.204   6.653
  106    HE   ARG  12           HE       ARG  12  -4.340 -10.029   4.126
  107   1HH1  ARG  12          1HH1      ARG  12  -3.275 -12.532   6.313
  108   2HH1  ARG  12          2HH1      ARG  12  -4.282 -13.763   5.603
  109   1HH2  ARG  12          1HH2      ARG  12  -5.719 -11.646   3.210
  110   2HH2  ARG  12          2HH2      ARG  12  -5.690 -13.247   3.873
  111    H    GLN  13           HN       GLN  13  -3.359  -6.519   1.730
  112    HA   GLN  13           HA       GLN  13  -2.074  -7.730  -0.577
  113   1HB   GLN  13           HB2      GLN  13  -4.149  -7.523  -1.687
  114   2HB   GLN  13           HB1      GLN  13  -4.524  -7.976  -0.044
  115   1HG   GLN  13           HG2      GLN  13  -6.101  -6.409  -0.432
  116   2HG   GLN  13           HG1      GLN  13  -4.842  -5.429   0.305
  117   1HE2  GLN  13          1HE2      GLN  13  -4.765  -6.620  -3.011
  118   2HE2  GLN  13          2HE2      GLN  13  -4.921  -5.066  -3.749
  119    H    CYS  14           HN       CYS  14  -2.249  -4.697   0.901
  120    HA   CYS  14           HA       CYS  14  -1.655  -3.211  -1.525
  121   1HB   CYS  14           HB2      CYS  14  -1.610  -2.280   1.354
  122   2HB   CYS  14           HB1      CYS  14  -1.583  -1.259  -0.079
  123    H    LEU  15           HN       LEU  15  -0.068  -4.362   1.391
  124    HA   LEU  15           HA       LEU  15   2.372  -2.985   0.875
  125   1HB   LEU  15           HB2      LEU  15   1.674  -3.558   3.132
  126   2HB   LEU  15           HB1      LEU  15   1.763  -5.269   2.740
  127    HG   LEU  15           HG       LEU  15   4.197  -5.041   2.365
  128   1HD1  LEU  15          3HD1      LEU  15   3.781  -2.228   3.369
  129   2HD1  LEU  15          2HD1      LEU  15   5.340  -3.006   3.099
  130   3HD1  LEU  15          1HD1      LEU  15   4.264  -2.693   1.738
  131   1HD2  LEU  15          2HD2      LEU  15   3.353  -5.758   4.547
  132   2HD2  LEU  15          1HD2      LEU  15   4.819  -4.792   4.724
  133   3HD2  LEU  15          3HD2      LEU  15   3.242  -4.076   5.065
  134    H    LYS  16           HN       LYS  16   1.101  -6.102  -0.018
  135    HA   LYS  16           HA       LYS  16   3.447  -7.488  -0.523
  136   1HB   LYS  16           HB2      LYS  16   1.377  -8.664  -0.606
  137   2HB   LYS  16           HB1      LYS  16   0.768  -7.640  -1.895
  138   1HG   LYS  16           HG2      LYS  16   1.403  -9.812  -2.752
  139   2HG   LYS  16           HG1      LYS  16   2.444  -8.552  -3.419
  140   1HD   LYS  16           HD2      LYS  16   4.145  -9.124  -1.696
  141   2HD   LYS  16           HD1      LYS  16   3.116 -10.465  -1.183
  142   1HE   LYS  16           HE2      LYS  16   4.778 -11.333  -2.656
  143   2HE   LYS  16           HE1      LYS  16   3.237 -11.348  -3.510
  144   1HZ   LYS  16           HZ2      LYS  16   5.327  -9.266  -3.815
  145   2HZ   LYS  16           HZ1      LYS  16   5.069 -10.542  -4.889
  146   3HZ   LYS  16           HZ3      LYS  16   3.877  -9.354  -4.686
  147    HA   PRO  17           HA       PRO  17   3.735  -5.705  -4.956
  148   1HB   PRO  17           HB2      PRO  17   2.134  -3.678  -5.728
  149   2HB   PRO  17           HB1      PRO  17   1.648  -5.369  -5.881
  150   1HG   PRO  17           HG2      PRO  17   0.915  -3.374  -3.773
  151   2HG   PRO  17           HG1      PRO  17  -0.120  -4.541  -4.619
  152   1HD   PRO  17           HD2      PRO  17   0.862  -4.979  -2.123
  153   2HD   PRO  17           HD1      PRO  17   0.537  -6.284  -3.278
  154    H    CYS  18           HN       CYS  18   3.137  -3.666  -2.207
  155    HA   CYS  18           HA       CYS  18   4.569  -1.417  -3.313
  156   1HB   CYS  18           HB2      CYS  18   3.271  -1.915  -0.643
  157   2HB   CYS  18           HB1      CYS  18   4.287  -0.504  -0.931
  158    H    LYS  19           HN       LYS  19   5.165  -3.617  -0.523
  159    HA   LYS  19           HA       LYS  19   7.729  -2.561  -0.003
  160   1HB   LYS  19           HB2      LYS  19   6.477  -3.933   1.625
  161   2HB   LYS  19           HB1      LYS  19   6.714  -5.346   0.605
  162   1HG   LYS  19           HG2      LYS  19   9.130  -5.163   0.906
  163   2HG   LYS  19           HG1      LYS  19   8.897  -3.744   1.926
  164   1HD   LYS  19           HD2      LYS  19   7.797  -6.488   2.513
  165   2HD   LYS  19           HD1      LYS  19   9.284  -5.834   3.200
  166   1HE   LYS  19           HE2      LYS  19   8.004  -4.012   4.223
  167   2HE   LYS  19           HE1      LYS  19   6.519  -4.672   3.541
  168   1HZ   LYS  19           HZ3      LYS  19   8.291  -6.070   5.477
  169   2HZ   LYS  19           HZ2      LYS  19   6.822  -5.314   5.863
  170   3HZ   LYS  19           HZ1      LYS  19   6.837  -6.674   4.844
  171    H    ASP  20           HN       ASP  20   6.612  -5.131  -2.108
  172    HA   ASP  20           HA       ASP  20   9.094  -6.238  -2.787
  173   1HB   ASP  20           HB2      ASP  20   6.899  -7.268  -3.313
  174   2HB   ASP  20           HB1      ASP  20   6.620  -6.009  -4.513
  175    H    ALA  21           HN       ALA  21   7.350  -3.453  -4.050
  176    HA   ALA  21           HA       ALA  21   9.291  -2.942  -6.122
  177   1HB   ALA  21           HB3      ALA  21   6.954  -2.335  -6.459
  178   2HB   ALA  21           HB1      ALA  21   7.994  -0.913  -6.543
  179   3HB   ALA  21           HB2      ALA  21   7.039  -1.222  -5.092
  180    H    GLY  22           HN       GLY  22   8.571  -1.772  -2.893
  181   1HA   GLY  22           HA1      GLY  22  10.908   0.019  -3.019
  182   2HA   GLY  22           HA2      GLY  22  10.823  -1.210  -1.761
  183    H    MET  23           HN       MET  23   8.081  -1.035  -1.214
  184    HA   MET  23           HA       MET  23   8.094   1.519   0.231
  185   1HB   MET  23           HB2      MET  23   5.701   0.070  -0.924
  186   2HB   MET  23           HB1      MET  23   5.595   1.437   0.177
  187   1HG   MET  23           HG2      MET  23   5.291   2.377  -1.922
  188   2HG   MET  23           HG1      MET  23   6.981   2.701  -1.537
  189   1HE   MET  23           HE1      MET  23   7.545   3.246  -4.063
  190   2HE   MET  23           HE3      MET  23   7.165   2.172  -5.410
  191   3HE   MET  23           HE2      MET  23   5.866   2.962  -4.519
  192    H    ARG  24           HN       ARG  24   8.856   0.841   2.093
  193    HA   ARG  24           HA       ARG  24   8.567  -1.596   3.348
  194   1HB   ARG  24           HB2      ARG  24  10.093  -0.564   4.589
  195   2HB   ARG  24           HB1      ARG  24   9.646   0.984   3.878
  196   1HG   ARG  24           HG2      ARG  24   7.814   1.107   5.607
  197   2HG   ARG  24           HG1      ARG  24   8.554  -0.297   6.375
  198   1HD   ARG  24           HD2      ARG  24   9.289   1.791   7.410
  199   2HD   ARG  24           HD1      ARG  24  10.629   0.923   6.661
  200    HE   ARG  24           HE       ARG  24  10.135   2.545   4.705
  201   1HH1  ARG  24          1HH1      ARG  24   9.957   3.295   8.114
  202   2HH1  ARG  24          2HH1      ARG  24  10.285   4.987   7.894
  203   1HH2  ARG  24          1HH2      ARG  24  10.617   4.733   4.399
  204   2HH2  ARG  24          2HH2      ARG  24  10.711   5.803   5.769
  205    H    PHE  25           HN       PHE  25   6.434   1.213   3.477
  206    HA   PHE  25           HA       PHE  25   4.611  -0.343   5.186
  207   1HB   PHE  25           HB2      PHE  25   4.773   2.636   4.710
  208   2HB   PHE  25           HB1      PHE  25   3.448   1.860   5.563
  209    HD1  PHE  25           HD1      PHE  25   4.302   0.213   7.513
  210    HD2  PHE  25           HD2      PHE  25   6.409   3.589   5.993
  211    HE1  PHE  25           HE1      PHE  25   5.547   0.387   9.628
  212    HE2  PHE  25           HE2      PHE  25   7.656   3.761   8.105
  213    HZ   PHE  25           HZ       PHE  25   7.227   2.163   9.925
  214    H    GLY  26           HN       GLY  26   2.539  -0.689   4.545
  215   1HA   GLY  26           HA1      GLY  26   1.776  -1.155   2.009
  216   2HA   GLY  26           HA2      GLY  26   1.449   0.570   2.178
  217    H    LYS  27           HN       LYS  27  -0.004   1.233   3.904
  218    HA   LYS  27           HA       LYS  27  -1.535  -0.978   5.075
  219   1HB   LYS  27           HB2      LYS  27  -1.997   0.529   6.963
  220   2HB   LYS  27           HB1      LYS  27  -0.279   0.252   6.738
  221   1HG   LYS  27           HG2      LYS  27  -0.238   2.453   5.480
  222   2HG   LYS  27           HG1      LYS  27  -1.861   2.724   6.124
  223   1HD   LYS  27           HD2      LYS  27  -0.967   2.415   8.409
  224   2HD   LYS  27           HD1      LYS  27   0.651   2.238   7.729
  225   1HE   LYS  27           HE2      LYS  27   0.540   4.471   8.416
  226   2HE   LYS  27           HE1      LYS  27   0.271   4.531   6.677
  227   1HZ   LYS  27           HZ3      LYS  27  -2.163   4.558   7.201
  228   2HZ   LYS  27           HZ2      LYS  27  -1.750   4.776   8.830
  229   3HZ   LYS  27           HZ1      LYS  27  -1.310   5.940   7.682
  230    H    CYS  28           HN       CYS  28  -3.697  -0.917   5.165
  231    HA   CYS  28           HA       CYS  28  -5.037   0.525   3.110
  232   1HB   CYS  28           HB2      CYS  28  -5.805  -1.683   3.619
  233   2HB   CYS  28           HB1      CYS  28  -6.009  -1.285   5.318
  234    H    MET  29           HN       MET  29  -5.955   2.451   3.210
  235    HA   MET  29           HA       MET  29  -6.674   3.504   5.857
  236   1HB   MET  29           HB2      MET  29  -5.449   5.040   3.555
  237   2HB   MET  29           HB1      MET  29  -6.074   5.771   5.026
  238   1HG   MET  29           HG2      MET  29  -3.770   3.843   4.848
  239   2HG   MET  29           HG1      MET  29  -3.651   5.586   5.068
  240   1HE   MET  29           HE1      MET  29  -6.053   6.161   7.062
  241   2HE   MET  29           HE3      MET  29  -5.235   6.060   8.623
  242   3HE   MET  29           HE2      MET  29  -4.446   6.861   7.265
  243    H    ASN  30           HN       ASN  30  -8.730   2.651   5.438
  244    HA   ASN  30           HA       ASN  30 -10.940   2.983   5.091
  245   1HB   ASN  30           HB2      ASN  30 -10.452   5.398   5.358
  246   2HB   ASN  30           HB1      ASN  30 -10.153   5.508   3.628
  247   1HD2  ASN  30          1HD2      ASN  30 -12.536   5.081   6.111
  248   2HD2  ASN  30          2HD2      ASN  30 -13.919   5.415   5.116
  249    H    GLY  31           HN       GLY  31  -9.381   4.184   2.114
  250   1HA   GLY  31           HA1      GLY  31 -10.861   3.727   0.089
  251   2HA   GLY  31           HA2      GLY  31 -10.838   2.067   0.664
  252    H    LYS  32           HN       LYS  32  -8.106   4.316   0.667
  253    HA   LYS  32           HA       LYS  32  -6.981   2.924  -1.658
  254   1HB   LYS  32           HB2      LYS  32  -6.390   5.576  -0.364
  255   2HB   LYS  32           HB1      LYS  32  -5.246   4.835  -1.472
  256   1HG   LYS  32           HG2      LYS  32  -6.522   6.389  -2.713
  257   2HG   LYS  32           HG1      LYS  32  -7.076   4.783  -3.185
  258   1HD   LYS  32           HD2      LYS  32  -8.991   5.020  -1.656
  259   2HD   LYS  32           HD1      LYS  32  -8.437   6.642  -1.235
  260   1HE   LYS  32           HE2      LYS  32 -10.237   6.664  -2.910
  261   2HE   LYS  32           HE1      LYS  32  -8.740   7.374  -3.516
  262   1HZ   LYS  32           HZ2      LYS  32  -9.467   4.544  -4.011
  263   2HZ   LYS  32           HZ1      LYS  32  -9.953   5.799  -5.048
  264   3HZ   LYS  32           HZ3      LYS  32  -8.309   5.484  -4.808
  265    H    CYS  33           HN       CYS  33  -4.767   2.297  -1.669
  266    HA   CYS  33           HA       CYS  33  -3.785   1.405   0.930
  267   1HB   CYS  33           HB2      CYS  33  -2.700   0.916  -1.857
  268   2HB   CYS  33           HB1      CYS  33  -2.128   0.141  -0.384
  269    H    HIS  34           HN       HIS  34  -2.468   2.678   2.050
  270    HA   HIS  34           HA       HIS  34  -1.052   4.807   0.603
  271   1HB   HIS  34           HB2      HIS  34  -1.860   4.522   3.498
  272   2HB   HIS  34           HB1      HIS  34  -0.750   5.772   2.945
  273    HD1  HIS  34           HD1      HIS  34  -2.088   7.874   3.059
  274    HD2  HIS  34           HD2      HIS  34  -4.210   4.755   1.304
  275    HE1  HIS  34           HE1      HIS  34  -4.258   8.877   2.284
  276    HE2  HIS  34           HE2      HIS  34  -5.611   6.926   1.434
  277    H    CYS  35           HN       CYS  35   0.825   3.996  -0.082
  278    HA   CYS  35           HA       CYS  35   2.366   2.305   1.735
  279   1HB   CYS  35           HB2      CYS  35   2.612   2.722  -1.248
  280   2HB   CYS  35           HB1      CYS  35   3.643   1.659  -0.291
  281    H    THR  36           HN       THR  36   4.302   2.824   2.488
  282    HA   THR  36           HA       THR  36   5.475   5.422   1.708
  283    HB   THR  36           HB       THR  36   5.797   4.034   4.382
  284    HG1  THR  36           HG1      THR  36   3.703   5.457   3.391
  285   1HG2  THR  36          2HG2      THR  36   6.347   6.875   3.514
  286   2HG2  THR  36          1HG2      THR  36   6.550   6.241   5.148
  287   3HG2  THR  36          3HG2      THR  36   7.563   5.638   3.836
  288    HA   PRO  37           HA       PRO  37   8.724   3.118  -0.115
  289   1HB   PRO  37           HB2      PRO  37  10.493   5.309   0.841
  290   2HB   PRO  37           HB1      PRO  37  10.274   4.666  -0.791
  291   1HG   PRO  37           HG2      PRO  37   9.204   6.997  -0.118
  292   2HG   PRO  37           HG1      PRO  37   8.297   5.851  -1.128
  293   1HD   PRO  37           HD2      PRO  37   8.005   6.455   1.791
  294   2HD   PRO  37           HD1      PRO  37   6.749   6.164   0.569
  295    H    LYS  38           HN       LYS  38  10.501   1.860   0.273
  296    HA   LYS  38           HA       LYS  38  10.713   0.701   2.804
  297   1HB   LYS  38           HB2      LYS  38  11.243  -0.401   0.622
  298   2HB   LYS  38           HB1      LYS  38  12.723   0.548   0.544
  299   1HG   LYS  38           HG2      LYS  38  13.317  -1.597   1.321
  300   2HG   LYS  38           HG1      LYS  38  13.378  -0.527   2.724
  301   1HD   LYS  38           HD2      LYS  38  11.172  -1.284   3.417
  302   2HD   LYS  38           HD1      LYS  38  11.074  -2.323   1.993
  303   1HE   LYS  38           HE2      LYS  38  13.134  -2.560   4.188
  304   2HE   LYS  38           HE1      LYS  38  11.690  -3.557   4.045
  305   1HZ   LYS  38           HZ2      LYS  38  12.544  -4.281   1.839
  306   2HZ   LYS  38           HZ1      LYS  38  13.995  -3.466   2.169
  307   3HZ   LYS  38           HZ3      LYS  38  13.507  -4.766   3.147

  No H/Q in entry =         307
  Start of MODEL   13
    1    H1   GLY   1           HT2      GLY   1   3.033  10.844  -0.278
    2    H2   GLY   1           HT1      GLY   1   4.126  10.562   0.987
    3    H3   GLY   1           HT3      GLY   1   4.543  10.151  -0.603
    4   1HA   GLY   1           HA2      GLY   1   2.395   8.894   1.008
    5   2HA   GLY   1           HA1      GLY   1   3.958   8.176   0.636
    6    H    VAL   2           HN       VAL   2   3.695   6.612  -0.807
    7    HA   VAL   2           HA       VAL   2   2.595   7.229  -3.388
    8    HB   VAL   2           HB       VAL   2   3.543   4.550  -2.348
    9   1HG1  VAL   2          1HG1      VAL   2   2.155   4.387  -4.346
   10   2HG1  VAL   2          3HG1      VAL   2   3.178   5.564  -5.168
   11   3HG1  VAL   2          2HG1      VAL   2   3.834   3.992  -4.712
   12   1HG2  VAL   2          3HG2      VAL   2   5.075   6.686  -3.831
   13   2HG2  VAL   2          2HG2      VAL   2   5.317   6.199  -2.154
   14   3HG2  VAL   2          1HG2      VAL   2   5.674   5.068  -3.459
   15    H    ILE   3           HN       ILE   3   0.416   7.579  -3.124
   16    HA   ILE   3           HA       ILE   3  -1.199   5.492  -1.936
   17    HB   ILE   3           HB       ILE   3  -1.776   7.739  -1.311
   18   1HG1  ILE   3          2HG1      ILE   3  -4.126   7.809  -2.014
   19   2HG1  ILE   3          1HG1      ILE   3  -3.790   6.603  -3.248
   20   1HG2  ILE   3          1HG2      ILE   3  -2.002   8.278  -4.261
   21   2HG2  ILE   3          3HG2      ILE   3  -2.655   9.345  -3.019
   22   3HG2  ILE   3          2HG2      ILE   3  -0.921   9.047  -3.099
   23   1HD1  ILE   3          2HD1      ILE   3  -3.152   5.013  -1.497
   24   2HD1  ILE   3          1HD1      ILE   3  -3.542   6.222  -0.275
   25   3HD1  ILE   3          3HD1      ILE   3  -4.814   5.578  -1.312
   26    H    ILE   4           HN       ILE   4  -2.057   3.928  -3.110
   27    HA   ILE   4           HA       ILE   4  -2.350   4.381  -5.996
   28    HB   ILE   4           HB       ILE   4  -2.214   1.970  -6.328
   29   1HG1  ILE   4          2HG1      ILE   4  -1.761   1.848  -3.336
   30   2HG1  ILE   4          1HG1      ILE   4  -3.128   1.166  -4.214
   31   1HG2  ILE   4          1HG2      ILE   4   0.036   3.149  -4.711
   32   2HG2  ILE   4          3HG2      ILE   4   0.166   1.695  -5.704
   33   3HG2  ILE   4          2HG2      ILE   4  -0.185   3.250  -6.458
   34   1HD1  ILE   4          2HD1      ILE   4  -0.257   0.294  -4.469
   35   2HD1  ILE   4          1HD1      ILE   4  -1.533  -0.554  -3.593
   36   3HD1  ILE   4          3HD1      ILE   4  -1.627  -0.390  -5.345
   37    H    ASN   5           HN       ASN   5  -4.230   3.821  -7.023
   38    HA   ASN   5           HA       ASN   5  -6.540   4.093  -5.302
   39   1HB   ASN   5           HB2      ASN   5  -7.781   4.463  -7.431
   40   2HB   ASN   5           HB1      ASN   5  -6.438   5.572  -7.196
   41   1HD2  ASN   5          1HD2      ASN   5  -7.740   4.942  -9.642
   42   2HD2  ASN   5          2HD2      ASN   5  -6.537   4.256 -10.697
   43    H    VAL   6           HN       VAL   6  -5.515   1.716  -4.839
   44    HA   VAL   6           HA       VAL   6  -7.358  -0.181  -6.144
   45    HB   VAL   6           HB       VAL   6  -4.871  -0.774  -4.501
   46   1HG1  VAL   6          2HG1      VAL   6  -6.541  -2.533  -4.316
   47   2HG1  VAL   6          1HG1      VAL   6  -6.665  -2.623  -6.073
   48   3HG1  VAL   6          3HG1      VAL   6  -5.163  -3.082  -5.272
   49   1HG2  VAL   6          2HG2      VAL   6  -4.286   0.222  -6.642
   50   2HG2  VAL   6          1HG2      VAL   6  -3.857  -1.489  -6.616
   51   3HG2  VAL   6          3HG2      VAL   6  -5.297  -0.952  -7.485
   52    H    LYS   7           HN       LYS   7  -8.870  -1.225  -4.830
   53    HA   LYS   7           HA       LYS   7  -9.312   0.022  -2.276
   54   1HB   LYS   7           HB2      LYS   7 -11.116  -0.779  -3.970
   55   2HB   LYS   7           HB1      LYS   7 -10.869  -2.359  -3.241
   56   1HG   LYS   7           HG2      LYS   7 -11.574   0.099  -1.650
   57   2HG   LYS   7           HG1      LYS   7 -12.774  -1.012  -2.307
   58   1HD   LYS   7           HD2      LYS   7 -12.338  -2.601  -0.759
   59   2HD   LYS   7           HD1      LYS   7 -10.608  -2.262  -0.753
   60   1HE   LYS   7           HE2      LYS   7 -11.666  -1.738   1.405
   61   2HE   LYS   7           HE1      LYS   7 -10.962  -0.313   0.646
   62   1HZ   LYS   7           HZ1      LYS   7 -13.842  -1.031   0.537
   63   2HZ   LYS   7           HZ3      LYS   7 -13.166   0.093   1.612
   64   3HZ   LYS   7           HZ2      LYS   7 -13.134   0.389  -0.058
   65    H    CYS   8           HN       CYS   8  -8.180  -0.517  -0.627
   66    HA   CYS   8           HA       CYS   8  -6.761  -2.961  -0.348
   67   1HB   CYS   8           HB2      CYS   8  -6.258  -2.021   1.928
   68   2HB   CYS   8           HB1      CYS   8  -5.810  -0.997   0.566
   69    H    LYS   9           HN       LYS   9  -8.489  -4.549  -0.477
   70    HA   LYS   9           HA       LYS   9 -10.552  -4.846   1.374
   71   1HB   LYS   9           HB2      LYS   9  -8.849  -7.093   0.271
   72   2HB   LYS   9           HB1      LYS   9 -10.506  -7.211   0.842
   73   1HG   LYS   9           HG2      LYS   9  -9.623  -5.621  -1.558
   74   2HG   LYS   9           HG1      LYS   9 -10.322  -7.241  -1.610
   75   1HD   LYS   9           HD2      LYS   9 -12.389  -6.425  -0.670
   76   2HD   LYS   9           HD1      LYS   9 -11.694  -4.819  -0.438
   77   1HE   LYS   9           HE2      LYS   9 -13.155  -4.961  -2.430
   78   2HE   LYS   9           HE1      LYS   9 -11.497  -4.508  -2.819
   79   1HZ   LYS   9           HZ3      LYS   9 -12.597  -7.261  -3.072
   80   2HZ   LYS   9           HZ2      LYS   9 -12.432  -6.165  -4.354
   81   3HZ   LYS   9           HZ1      LYS   9 -11.058  -6.739  -3.551
   82    H    ILE  10           HN       ILE  10  -7.207  -5.105   1.650
   83    HA   ILE  10           HA       ILE  10  -7.169  -5.092   4.482
   84    HB   ILE  10           HB       ILE  10  -5.498  -7.027   4.635
   85   1HG1  ILE  10          2HG1      ILE  10  -6.918  -7.905   2.113
   86   2HG1  ILE  10          1HG1      ILE  10  -5.241  -7.375   2.205
   87   1HG2  ILE  10          1HG2      ILE  10  -7.680  -7.120   5.691
   88   2HG2  ILE  10          3HG2      ILE  10  -8.398  -7.706   4.190
   89   3HG2  ILE  10          2HG2      ILE  10  -7.225  -8.699   5.052
   90   1HD1  ILE  10          1HD1      ILE  10  -6.407  -9.800   3.555
   91   2HD1  ILE  10          3HD1      ILE  10  -5.400  -9.793   2.108
   92   3HD1  ILE  10          2HD1      ILE  10  -4.727  -9.273   3.652
   93    H    SER  11           HN       SER  11  -4.775  -4.865   5.180
   94    HA   SER  11           HA       SER  11  -3.513  -3.034   3.430
   95   1HB   SER  11           HB2      SER  11  -2.378  -4.462   5.847
   96   2HB   SER  11           HB1      SER  11  -1.672  -3.044   5.065
   97    HG   SER  11           HG       SER  11  -4.093  -3.257   6.517
   98    H    ARG  12           HN       ARG  12  -3.010  -6.454   4.092
   99    HA   ARG  12           HA       ARG  12  -0.565  -6.783   2.753
  100   1HB   ARG  12           HB2      ARG  12  -2.803  -8.758   3.207
  101   2HB   ARG  12           HB1      ARG  12  -1.206  -9.192   2.613
  102   1HG   ARG  12           HG2      ARG  12  -0.233  -8.270   4.700
  103   2HG   ARG  12           HG1      ARG  12  -1.872  -7.987   5.290
  104   1HD   ARG  12           HD2      ARG  12  -0.928 -10.074   6.164
  105   2HD   ARG  12           HD1      ARG  12  -2.355 -10.359   5.167
  106    HE   ARG  12           HE       ARG  12  -0.989 -11.289   3.498
  107   1HH1  ARG  12          1HH1      ARG  12   0.846 -10.329   6.328
  108   2HH1  ARG  12          2HH1      ARG  12   2.261 -11.235   5.866
  109   1HH2  ARG  12          1HH2      ARG  12   0.826 -12.493   2.908
  110   2HH2  ARG  12          2HH2      ARG  12   2.246 -12.484   3.924
  111    H    GLN  13           HN       GLN  13  -3.728  -6.290   1.479
  112    HA   GLN  13           HA       GLN  13  -3.542  -7.518  -1.024
  113   1HB   GLN  13           HB2      GLN  13  -5.006  -5.080  -0.054
  114   2HB   GLN  13           HB1      GLN  13  -5.046  -5.533  -1.752
  115   1HG   GLN  13           HG2      GLN  13  -5.907  -7.303   0.509
  116   2HG   GLN  13           HG1      GLN  13  -6.981  -6.325  -0.493
  117   1HE2  GLN  13          1HE2      GLN  13  -7.193  -6.834  -2.695
  118   2HE2  GLN  13          2HE2      GLN  13  -6.797  -8.401  -3.303
  119    H    CYS  14           HN       CYS  14  -2.155  -4.544   0.168
  120    HA   CYS  14           HA       CYS  14  -1.135  -4.001  -2.532
  121   1HB   CYS  14           HB2      CYS  14  -1.990  -2.099  -0.362
  122   2HB   CYS  14           HB1      CYS  14  -1.091  -1.582  -1.785
  123    H    LEU  15           HN       LEU  15  -0.295  -4.377   0.833
  124    HA   LEU  15           HA       LEU  15   2.222  -3.120   0.710
  125   1HB   LEU  15           HB2      LEU  15   1.278  -3.635   2.854
  126   2HB   LEU  15           HB1      LEU  15   1.266  -5.353   2.489
  127    HG   LEU  15           HG       LEU  15   3.755  -5.287   2.353
  128   1HD1  LEU  15          3HD1      LEU  15   3.394  -2.493   3.423
  129   2HD1  LEU  15          2HD1      LEU  15   4.923  -3.369   3.362
  130   3HD1  LEU  15          1HD1      LEU  15   4.091  -2.946   1.865
  131   1HD2  LEU  15          3HD2      LEU  15   2.624  -6.065   4.367
  132   2HD2  LEU  15          2HD2      LEU  15   4.108  -5.201   4.776
  133   3HD2  LEU  15          1HD2      LEU  15   2.543  -4.411   4.974
  134    H    LYS  16           HN       LYS  16   1.220  -6.427  -0.079
  135    HA   LYS  16           HA       LYS  16   3.791  -7.498  -0.271
  136   1HB   LYS  16           HB2      LYS  16   1.917  -8.982  -0.229
  137   2HB   LYS  16           HB1      LYS  16   1.267  -8.307  -1.707
  138   1HG   LYS  16           HG2      LYS  16   2.282 -10.439  -2.159
  139   2HG   LYS  16           HG1      LYS  16   3.217  -9.160  -2.936
  140   1HD   LYS  16           HD2      LYS  16   4.753  -9.200  -0.962
  141   2HD   LYS  16           HD1      LYS  16   3.880 -10.617  -0.377
  142   1HE   LYS  16           HE2      LYS  16   5.836 -11.373  -1.523
  143   2HE   LYS  16           HE1      LYS  16   4.438 -11.752  -2.528
  144   1HZ   LYS  16           HZ3      LYS  16   6.156  -9.363  -2.907
  145   2HZ   LYS  16           HZ2      LYS  16   6.345 -10.804  -3.769
  146   3HZ   LYS  16           HZ1      LYS  16   4.921  -9.894  -3.934
  147    HA   PRO  17           HA       PRO  17   3.897  -6.021  -4.951
  148   1HB   PRO  17           HB2      PRO  17   2.004  -3.759  -4.786
  149   2HB   PRO  17           HB1      PRO  17   2.269  -4.911  -6.096
  150   1HG   PRO  17           HG2      PRO  17   0.086  -4.986  -4.523
  151   2HG   PRO  17           HG1      PRO  17   0.815  -6.445  -5.217
  152   1HD   PRO  17           HD2      PRO  17   0.914  -5.422  -2.429
  153   2HD   PRO  17           HD1      PRO  17   0.935  -7.073  -3.040
  154    H    CYS  18           HN       CYS  18   3.087  -3.794  -2.292
  155    HA   CYS  18           HA       CYS  18   4.666  -1.663  -3.364
  156   1HB   CYS  18           HB2      CYS  18   3.306  -2.066  -0.706
  157   2HB   CYS  18           HB1      CYS  18   4.288  -0.645  -1.038
  158    H    LYS  19           HN       LYS  19   5.138  -3.685  -0.452
  159    HA   LYS  19           HA       LYS  19   7.641  -2.596   0.191
  160   1HB   LYS  19           HB2      LYS  19   6.035  -3.956   1.647
  161   2HB   LYS  19           HB1      LYS  19   6.728  -5.383   0.889
  162   1HG   LYS  19           HG2      LYS  19   8.853  -4.956   1.804
  163   2HG   LYS  19           HG1      LYS  19   8.396  -3.323   2.293
  164   1HD   LYS  19           HD2      LYS  19   6.671  -4.389   3.796
  165   2HD   LYS  19           HD1      LYS  19   7.450  -5.936   3.446
  166   1HE   LYS  19           HE2      LYS  19   9.562  -5.063   4.287
  167   2HE   LYS  19           HE1      LYS  19   8.791  -3.518   4.632
  168   1HZ   LYS  19           HZ2      LYS  19   8.020  -6.108   5.862
  169   2HZ   LYS  19           HZ1      LYS  19   9.000  -4.936   6.602
  170   3HZ   LYS  19           HZ3      LYS  19   7.379  -4.583   6.240
  171    H    ASP  20           HN       ASP  20   6.676  -5.144  -1.978
  172    HA   ASP  20           HA       ASP  20   9.243  -6.304  -2.351
  173   1HB   ASP  20           HB2      ASP  20   7.020  -7.332  -3.000
  174   2HB   ASP  20           HB1      ASP  20   6.992  -6.227  -4.368
  175    H    ALA  21           HN       ALA  21   7.562  -3.565  -3.693
  176    HA   ALA  21           HA       ALA  21   9.590  -3.075  -5.717
  177   1HB   ALA  21           HB3      ALA  21   7.265  -2.651  -6.283
  178   2HB   ALA  21           HB1      ALA  21   8.183  -1.147  -6.317
  179   3HB   ALA  21           HB2      ALA  21   7.126  -1.505  -4.950
  180    H    GLY  22           HN       GLY  22   9.506  -2.650  -2.494
  181   1HA   GLY  22           HA1      GLY  22  11.415  -0.426  -2.635
  182   2HA   GLY  22           HA2      GLY  22  11.232  -1.545  -1.288
  183    H    MET  23           HN       MET  23   9.035  -1.437  -0.234
  184    HA   MET  23           HA       MET  23   8.501   1.327   0.425
  185   1HB   MET  23           HB2      MET  23   6.304  -0.553  -0.478
  186   2HB   MET  23           HB1      MET  23   6.044   1.029   0.248
  187   1HG   MET  23           HG2      MET  23   7.327   2.017  -1.616
  188   2HG   MET  23           HG1      MET  23   7.384   0.436  -2.373
  189   1HE   MET  23           HE1      MET  23   6.333   1.261  -4.591
  190   2HE   MET  23           HE3      MET  23   4.862   2.229  -4.696
  191   3HE   MET  23           HE2      MET  23   6.313   2.910  -3.962
  192    H    ARG  24           HN       ARG  24   8.878   1.332   2.498
  193    HA   ARG  24           HA       ARG  24   8.960  -0.953   4.092
  194   1HB   ARG  24           HB2      ARG  24   9.993   0.444   5.533
  195   2HB   ARG  24           HB1      ARG  24  10.073   1.457   4.110
  196   1HG   ARG  24           HG2      ARG  24   8.054   2.644   4.877
  197   2HG   ARG  24           HG1      ARG  24   8.079   1.682   6.357
  198   1HD   ARG  24           HD2      ARG  24  10.414   2.532   6.742
  199   2HD   ARG  24           HD1      ARG  24  10.156   3.642   5.397
  200    HE   ARG  24           HE       ARG  24   8.480   3.655   7.824
  201   1HH1  ARG  24          1HH1      ARG  24  10.338   5.327   5.371
  202   2HH1  ARG  24          2HH1      ARG  24   9.958   6.913   5.985
  203   1HH2  ARG  24          1HH2      ARG  24   8.007   5.725   8.650
  204   2HH2  ARG  24          2HH2      ARG  24   8.639   7.134   7.857
  205    H    PHE  25           HN       PHE  25   6.355   1.164   3.296
  206    HA   PHE  25           HA       PHE  25   4.655  -0.347   5.155
  207   1HB   PHE  25           HB2      PHE  25   4.635   2.638   4.769
  208   2HB   PHE  25           HB1      PHE  25   3.227   1.772   5.359
  209    HD1  PHE  25           HD1      PHE  25   3.892   0.031   7.334
  210    HD2  PHE  25           HD2      PHE  25   5.919   3.642   6.362
  211    HE1  PHE  25           HE1      PHE  25   4.752   0.163   9.636
  212    HE2  PHE  25           HE2      PHE  25   6.786   3.784   8.661
  213    HZ   PHE  25           HZ       PHE  25   6.200   2.041  10.302
  214    H    GLY  26           HN       GLY  26   2.615  -0.771   4.485
  215   1HA   GLY  26           HA1      GLY  26   1.866  -1.432   2.020
  216   2HA   GLY  26           HA2      GLY  26   1.573   0.308   1.995
  217    H    LYS  27           HN       LYS  27   0.003   1.186   3.432
  218    HA   LYS  27           HA       LYS  27  -1.381  -0.788   5.121
  219   1HB   LYS  27           HB2      LYS  27   0.143   0.830   6.283
  220   2HB   LYS  27           HB1      LYS  27  -0.877   2.135   5.702
  221   1HG   LYS  27           HG2      LYS  27  -2.693   1.438   7.045
  222   2HG   LYS  27           HG1      LYS  27  -1.905  -0.094   7.440
  223   1HD   LYS  27           HD2      LYS  27  -0.124   1.150   8.601
  224   2HD   LYS  27           HD1      LYS  27  -0.961   2.658   8.237
  225   1HE   LYS  27           HE2      LYS  27  -2.190   0.407   9.818
  226   2HE   LYS  27           HE1      LYS  27  -1.326   1.755  10.555
  227   1HZ   LYS  27           HZ2      LYS  27  -2.934   3.266   9.503
  228   2HZ   LYS  27           HZ1      LYS  27  -3.794   1.931   8.907
  229   3HZ   LYS  27           HZ3      LYS  27  -3.671   2.181  10.579
  230    H    CYS  28           HN       CYS  28  -3.535  -0.853   5.050
  231    HA   CYS  28           HA       CYS  28  -4.894   0.620   3.011
  232   1HB   CYS  28           HB2      CYS  28  -5.604  -1.631   3.397
  233   2HB   CYS  28           HB1      CYS  28  -5.857  -1.326   5.105
  234    H    MET  29           HN       MET  29  -5.813   2.535   3.196
  235    HA   MET  29           HA       MET  29  -6.576   3.503   5.863
  236   1HB   MET  29           HB2      MET  29  -4.878   5.002   3.862
  237   2HB   MET  29           HB1      MET  29  -5.596   5.723   5.293
  238   1HG   MET  29           HG2      MET  29  -3.590   3.479   5.294
  239   2HG   MET  29           HG1      MET  29  -3.228   5.177   5.597
  240   1HE   MET  29           HE2      MET  29  -5.793   6.054   7.275
  241   2HE   MET  29           HE1      MET  29  -5.236   5.800   8.929
  242   3HE   MET  29           HE3      MET  29  -4.157   6.523   7.737
  243    H    ASN  30           HN       ASN  30  -8.668   3.771   5.697
  244    HA   ASN  30           HA       ASN  30 -10.688   4.587   5.098
  245   1HB   ASN  30           HB2      ASN  30  -8.997   6.601   3.619
  246   2HB   ASN  30           HB1      ASN  30 -10.746   6.722   3.775
  247   1HD2  ASN  30          1HD2      ASN  30  -7.702   7.064   5.345
  248   2HD2  ASN  30          2HD2      ASN  30  -8.299   7.754   6.818
  249    H    GLY  31           HN       GLY  31  -9.094   2.711   3.197
  250   1HA   GLY  31           HA1      GLY  31 -11.127   2.916   1.063
  251   2HA   GLY  31           HA2      GLY  31 -10.536   1.394   1.711
  252    H    LYS  32           HN       LYS  32  -8.060   3.669   1.373
  253    HA   LYS  32           HA       LYS  32  -7.309   2.496  -1.225
  254   1HB   LYS  32           HB2      LYS  32  -6.656   5.207  -0.079
  255   2HB   LYS  32           HB1      LYS  32  -5.912   4.551  -1.538
  256   1HG   LYS  32           HG2      LYS  32  -8.118   4.449  -2.598
  257   2HG   LYS  32           HG1      LYS  32  -8.859   5.085  -1.129
  258   1HD   LYS  32           HD2      LYS  32  -7.392   7.107  -1.389
  259   2HD   LYS  32           HD1      LYS  32  -6.930   6.479  -2.974
  260   1HE   LYS  32           HE2      LYS  32  -9.736   7.135  -2.085
  261   2HE   LYS  32           HE1      LYS  32  -8.733   8.126  -3.143
  262   1HZ   LYS  32           HZ1      LYS  32  -9.572   5.345  -3.767
  263   2HZ   LYS  32           HZ3      LYS  32 -10.369   6.727  -4.327
  264   3HZ   LYS  32           HZ2      LYS  32  -8.772   6.423  -4.805
  265    H    CYS  33           HN       CYS  33  -5.009   2.274  -1.593
  266    HA   CYS  33           HA       CYS  33  -3.713   1.254   0.809
  267   1HB   CYS  33           HB2      CYS  33  -2.927   0.976  -2.094
  268   2HB   CYS  33           HB1      CYS  33  -2.220   0.102  -0.739
  269    H    HIS  34           HN       HIS  34  -2.691   2.819   1.874
  270    HA   HIS  34           HA       HIS  34  -1.095   4.786   0.427
  271   1HB   HIS  34           HB2      HIS  34  -2.079   4.510   3.233
  272   2HB   HIS  34           HB1      HIS  34  -0.650   5.496   2.939
  273    HD1  HIS  34           HD1      HIS  34  -0.997   7.748   1.749
  274    HD2  HIS  34           HD2      HIS  34  -4.492   5.553   2.278
  275    HE1  HIS  34           HE1      HIS  34  -2.880   9.335   1.236
  276    HE2  HIS  34           HE2      HIS  34  -4.969   7.928   1.365
  277    H    CYS  35           HN       CYS  35   0.727   3.821  -0.296
  278    HA   CYS  35           HA       CYS  35   2.232   2.135   1.556
  279   1HB   CYS  35           HB2      CYS  35   2.482   2.525  -1.432
  280   2HB   CYS  35           HB1      CYS  35   3.556   1.510  -0.476
  281    H    THR  36           HN       THR  36   4.047   2.785   2.467
  282    HA   THR  36           HA       THR  36   5.222   5.357   1.637
  283    HB   THR  36           HB       THR  36   5.738   3.881   4.229
  284    HG1  THR  36           HG1      THR  36   3.447   4.902   3.487
  285   1HG2  THR  36          1HG2      THR  36   7.355   5.626   3.602
  286   2HG2  THR  36          3HG2      THR  36   6.034   6.790   3.469
  287   3HG2  THR  36          2HG2      THR  36   6.429   6.076   5.032
  288    HA   PRO  37           HA       PRO  37   8.288   2.818  -0.216
  289   1HB   PRO  37           HB2      PRO  37   9.993   5.164  -0.485
  290   2HB   PRO  37           HB1      PRO  37   9.110   4.281  -1.731
  291   1HG   PRO  37           HG2      PRO  37   8.432   6.789  -0.952
  292   2HG   PRO  37           HG1      PRO  37   7.246   5.608  -1.542
  293   1HD   PRO  37           HD2      PRO  37   7.905   6.389   1.278
  294   2HD   PRO  37           HD1      PRO  37   6.316   6.111   0.527
  295    H    LYS  38           HN       LYS  38  10.330   1.943   0.070
  296    HA   LYS  38           HA       LYS  38  11.453   2.071   2.681
  297   1HB   LYS  38           HB2      LYS  38  12.214   0.701   0.120
  298   2HB   LYS  38           HB1      LYS  38  13.348   0.784   1.455
  299   1HG   LYS  38           HG2      LYS  38  10.594  -0.279   1.830
  300   2HG   LYS  38           HG1      LYS  38  11.954  -1.293   1.324
  301   1HD   LYS  38           HD2      LYS  38  12.104   0.517   3.695
  302   2HD   LYS  38           HD1      LYS  38  11.499  -1.139   3.839
  303   1HE   LYS  38           HE2      LYS  38  13.616  -1.995   3.040
  304   2HE   LYS  38           HE1      LYS  38  14.194  -0.357   2.724
  305   1HZ   LYS  38           HZ3      LYS  38  13.815   0.017   5.196
  306   2HZ   LYS  38           HZ2      LYS  38  13.723  -1.667   5.337
  307   3HZ   LYS  38           HZ1      LYS  38  15.142  -0.941   4.754

  No H/Q in entry =         307
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1   5.139  10.385  -1.834
    2    H2   GLY   1           HT3      GLY   1   3.716  11.291  -1.652
    3    H3   GLY   1           HT2      GLY   1   4.845  11.213  -0.387
    4   1HA   GLY   1           HA2      GLY   1   2.896   9.802   0.018
    5   2HA   GLY   1           HA1      GLY   1   4.411   8.914  -0.014
    6    H    VAL   2           HN       VAL   2   3.692   6.953  -0.671
    7    HA   VAL   2           HA       VAL   2   2.830   6.778  -3.447
    8    HB   VAL   2           HB       VAL   2   3.540   4.542  -1.540
    9   1HG1  VAL   2          3HG1      VAL   2   3.244   4.565  -4.545
   10   2HG1  VAL   2          2HG1      VAL   2   3.794   3.196  -3.577
   11   3HG1  VAL   2          1HG1      VAL   2   2.149   3.803  -3.390
   12   1HG2  VAL   2          2HG2      VAL   2   5.236   5.961  -3.592
   13   2HG2  VAL   2          1HG2      VAL   2   5.453   5.986  -1.841
   14   3HG2  VAL   2          3HG2      VAL   2   5.701   4.488  -2.742
   15    H    ILE   3           HN       ILE   3   0.703   7.384  -3.399
   16    HA   ILE   3           HA       ILE   3  -1.125   5.678  -1.833
   17    HB   ILE   3           HB       ILE   3  -1.773   8.351  -3.088
   18   1HG1  ILE   3          2HG1      ILE   3  -0.095   8.714  -1.368
   19   2HG1  ILE   3          1HG1      ILE   3  -1.660   9.268  -0.784
   20   1HG2  ILE   3          2HG2      ILE   3  -3.694   6.912  -2.744
   21   2HG2  ILE   3          1HG2      ILE   3  -3.242   6.679  -1.056
   22   3HG2  ILE   3          3HG2      ILE   3  -3.736   8.274  -1.625
   23   1HD1  ILE   3          2HD1      ILE   3  -1.895   7.199   0.501
   24   2HD1  ILE   3          1HD1      ILE   3  -0.307   6.683  -0.068
   25   3HD1  ILE   3          3HD1      ILE   3  -0.456   8.112   0.954
   26    H    ILE   4           HN       ILE   4  -1.856   4.052  -3.078
   27    HA   ILE   4           HA       ILE   4  -2.225   4.584  -5.942
   28    HB   ILE   4           HB       ILE   4  -2.102   2.170  -6.297
   29   1HG1  ILE   4          2HG1      ILE   4  -1.575   2.016  -3.321
   30   2HG1  ILE   4          1HG1      ILE   4  -3.005   1.398  -4.145
   31   1HG2  ILE   4          2HG2      ILE   4  -0.079   3.506  -6.399
   32   2HG2  ILE   4          1HG2      ILE   4   0.173   3.278  -4.669
   33   3HG2  ILE   4          3HG2      ILE   4   0.273   1.899  -5.762
   34   1HD1  ILE   4          3HD1      ILE   4  -0.182   0.417  -4.531
   35   2HD1  ILE   4          2HD1      ILE   4  -1.450  -0.387  -3.603
   36   3HD1  ILE   4          1HD1      ILE   4  -1.616  -0.204  -5.350
   37    H    ASN   5           HN       ASN   5  -4.051   3.810  -7.034
   38    HA   ASN   5           HA       ASN   5  -6.445   4.157  -5.440
   39   1HB   ASN   5           HB2      ASN   5  -7.582   4.361  -7.641
   40   2HB   ASN   5           HB1      ASN   5  -6.249   5.492  -7.447
   41   1HD2  ASN   5          1HD2      ASN   5  -7.513   4.494  -9.870
   42   2HD2  ASN   5          2HD2      ASN   5  -6.249   3.763 -10.802
   43    H    VAL   6           HN       VAL   6  -5.388   1.794  -4.792
   44    HA   VAL   6           HA       VAL   6  -7.110  -0.195  -6.132
   45    HB   VAL   6           HB       VAL   6  -4.621  -0.635  -4.446
   46   1HG1  VAL   6          2HG1      VAL   6  -6.241  -2.433  -4.140
   47   2HG1  VAL   6          1HG1      VAL   6  -6.357  -2.643  -5.887
   48   3HG1  VAL   6          3HG1      VAL   6  -4.842  -2.995  -5.054
   49   1HG2  VAL   6          1HG2      VAL   6  -4.113   0.240  -6.672
   50   2HG2  VAL   6          3HG2      VAL   6  -3.601  -1.439  -6.519
   51   3HG2  VAL   6          2HG2      VAL   6  -5.074  -1.043  -7.406
   52    H    LYS   7           HN       LYS   7  -8.837  -0.907  -4.953
   53    HA   LYS   7           HA       LYS   7  -9.190   0.097  -2.297
   54   1HB   LYS   7           HB2      LYS   7 -11.022  -0.458  -4.089
   55   2HB   LYS   7           HB1      LYS   7 -10.926  -2.078  -3.413
   56   1HG   LYS   7           HG2      LYS   7 -11.584   0.437  -1.877
   57   2HG   LYS   7           HG1      LYS   7 -12.732  -0.796  -2.395
   58   1HD   LYS   7           HD2      LYS   7 -11.973  -2.346  -0.854
   59   2HD   LYS   7           HD1      LYS   7 -10.399  -1.568  -0.693
   60   1HE   LYS   7           HE2      LYS   7 -11.520   0.334   0.444
   61   2HE   LYS   7           HE1      LYS   7 -13.032  -0.571   0.386
   62   1HZ   LYS   7           HZ3      LYS   7 -10.565  -1.580   1.697
   63   2HZ   LYS   7           HZ2      LYS   7 -11.783  -0.746   2.523
   64   3HZ   LYS   7           HZ1      LYS   7 -12.122  -2.241   1.791
   65    H    CYS   8           HN       CYS   8  -7.894  -0.652  -0.838
   66    HA   CYS   8           HA       CYS   8  -6.894  -3.291  -0.670
   67   1HB   CYS   8           HB2      CYS   8  -6.233  -2.523   1.654
   68   2HB   CYS   8           HB1      CYS   8  -5.654  -1.516   0.329
   69    H    LYS   9           HN       LYS   9  -8.386  -4.934  -0.460
   70    HA   LYS   9           HA       LYS   9 -10.535  -4.826   1.427
   71   1HB   LYS   9           HB2      LYS   9  -9.387  -6.855  -0.380
   72   2HB   LYS   9           HB1      LYS   9 -10.121  -7.502   1.080
   73   1HG   LYS   9           HG2      LYS   9 -11.730  -7.463  -0.715
   74   2HG   LYS   9           HG1      LYS   9 -12.205  -6.324   0.542
   75   1HD   LYS   9           HD2      LYS   9 -12.574  -5.195  -1.489
   76   2HD   LYS   9           HD1      LYS   9 -11.058  -4.535  -0.872
   77   1HE   LYS   9           HE2      LYS   9  -9.828  -6.093  -2.346
   78   2HE   LYS   9           HE1      LYS   9 -11.366  -6.663  -2.990
   79   1HZ   LYS   9           HZ1      LYS   9 -11.815  -4.422  -3.791
   80   2HZ   LYS   9           HZ3      LYS   9 -10.323  -3.891  -3.182
   81   3HZ   LYS   9           HZ2      LYS   9 -10.369  -5.021  -4.443
   82    H    ILE  10           HN       ILE  10  -7.339  -4.846   1.816
   83    HA   ILE  10           HA       ILE  10  -7.312  -4.950   4.586
   84    HB   ILE  10           HB       ILE  10  -5.574  -6.901   4.740
   85   1HG1  ILE  10          2HG1      ILE  10  -7.362  -8.012   2.580
   86   2HG1  ILE  10          1HG1      ILE  10  -5.726  -7.427   2.298
   87   1HG2  ILE  10          3HG2      ILE  10  -8.535  -7.400   4.761
   88   2HG2  ILE  10          2HG2      ILE  10  -7.322  -8.448   5.492
   89   3HG2  ILE  10          1HG2      ILE  10  -7.548  -6.806   6.096
   90   1HD1  ILE  10          3HD1      ILE  10  -4.866  -9.122   3.842
   91   2HD1  ILE  10          2HD1      ILE  10  -6.508  -9.716   4.088
   92   3HD1  ILE  10          1HD1      ILE  10  -5.754  -9.837   2.497
   93    H    SER  11           HN       SER  11  -4.919  -4.891   5.376
   94    HA   SER  11           HA       SER  11  -3.632  -2.963   3.760
   95   1HB   SER  11           HB2      SER  11  -2.699  -4.433   6.222
   96   2HB   SER  11           HB1      SER  11  -1.784  -3.133   5.457
   97    HG   SER  11           HG       SER  11  -3.925  -2.987   7.120
   98    H    ARG  12           HN       ARG  12  -2.982  -6.407   4.341
   99    HA   ARG  12           HA       ARG  12  -0.441  -6.533   3.171
  100   1HB   ARG  12           HB2      ARG  12  -2.589  -8.620   3.459
  101   2HB   ARG  12           HB1      ARG  12  -1.016  -8.980   2.762
  102   1HG   ARG  12           HG2      ARG  12   0.011  -8.130   4.888
  103   2HG   ARG  12           HG1      ARG  12  -1.621  -8.059   5.556
  104   1HD   ARG  12           HD2      ARG  12  -0.282 -10.524   4.453
  105   2HD   ARG  12           HD1      ARG  12  -0.462 -10.137   6.164
  106    HE   ARG  12           HE       ARG  12  -2.921 -10.241   5.747
  107   1HH1  ARG  12          1HH1      ARG  12  -0.689 -11.955   3.658
  108   2HH1  ARG  12          2HH1      ARG  12  -1.847 -13.176   3.222
  109   1HH2  ARG  12          1HH2      ARG  12  -4.449 -11.854   5.172
  110   2HH2  ARG  12          2HH2      ARG  12  -3.973 -13.122   4.071
  111    H    GLN  13           HN       GLN  13  -3.572  -6.386   1.670
  112    HA   GLN  13           HA       GLN  13  -2.913  -7.432  -0.862
  113   1HB   GLN  13           HB2      GLN  13  -4.958  -5.337  -0.108
  114   2HB   GLN  13           HB1      GLN  13  -4.866  -6.132  -1.675
  115   1HG   GLN  13           HG2      GLN  13  -5.346  -7.524   0.939
  116   2HG   GLN  13           HG1      GLN  13  -6.586  -7.087  -0.237
  117   1HE2  GLN  13          1HE2      GLN  13  -6.612  -8.100  -2.230
  118   2HE2  GLN  13          2HE2      GLN  13  -5.838  -9.628  -2.484
  119    H    CYS  14           HN       CYS  14  -2.193  -4.454   0.671
  120    HA   CYS  14           HA       CYS  14  -1.401  -3.202  -1.859
  121   1HB   CYS  14           HB2      CYS  14  -1.461  -1.953   0.878
  122   2HB   CYS  14           HB1      CYS  14  -1.425  -1.135  -0.682
  123    H    LEU  15           HN       LEU  15  -0.176  -4.209   1.288
  124    HA   LEU  15           HA       LEU  15   2.384  -3.055   0.982
  125   1HB   LEU  15           HB2      LEU  15   1.527  -3.639   3.170
  126   2HB   LEU  15           HB1      LEU  15   1.488  -5.339   2.728
  127    HG   LEU  15           HG       LEU  15   3.969  -5.248   2.418
  128   1HD1  LEU  15          1HD1      LEU  15   4.212  -2.856   2.081
  129   2HD1  LEU  15          3HD1      LEU  15   3.676  -2.553   3.735
  130   3HD1  LEU  15          2HD1      LEU  15   5.193  -3.400   3.441
  131   1HD2  LEU  15          2HD2      LEU  15   2.971  -6.163   4.445
  132   2HD2  LEU  15          1HD2      LEU  15   4.475  -5.319   4.814
  133   3HD2  LEU  15          3HD2      LEU  15   2.924  -4.554   5.164
  134    H    LYS  16           HN       LYS  16   1.074  -6.213   0.088
  135    HA   LYS  16           HA       LYS  16   3.509  -7.488  -0.388
  136   1HB   LYS  16           HB2      LYS  16   1.629  -8.887  -0.382
  137   2HB   LYS  16           HB1      LYS  16   0.777  -7.918  -1.567
  138   1HG   LYS  16           HG2      LYS  16   1.557 -10.033  -2.499
  139   2HG   LYS  16           HG1      LYS  16   2.298  -8.649  -3.306
  140   1HD   LYS  16           HD2      LYS  16   4.232  -8.994  -1.622
  141   2HD   LYS  16           HD1      LYS  16   3.522 -10.592  -1.372
  142   1HE   LYS  16           HE2      LYS  16   3.739 -11.091  -3.732
  143   2HE   LYS  16           HE1      LYS  16   4.350  -9.468  -4.045
  144   1HZ   LYS  16           HZ1      LYS  16   6.194 -10.082  -2.425
  145   2HZ   LYS  16           HZ3      LYS  16   5.680 -11.692  -2.623
  146   3HZ   LYS  16           HZ2      LYS  16   6.228 -10.804  -3.958
  147    HA   PRO  17           HA       PRO  17   3.508  -5.818  -4.922
  148   1HB   PRO  17           HB2      PRO  17   1.647  -3.537  -4.866
  149   2HB   PRO  17           HB1      PRO  17   1.801  -4.831  -6.059
  150   1HG   PRO  17           HG2      PRO  17  -0.294  -4.700  -4.395
  151   2HG   PRO  17           HG1      PRO  17   0.406  -6.252  -4.892
  152   1HD   PRO  17           HD2      PRO  17   0.786  -4.737  -2.335
  153   2HD   PRO  17           HD1      PRO  17   0.524  -6.469  -2.588
  154    H    CYS  18           HN       CYS  18   3.003  -3.668  -2.167
  155    HA   CYS  18           HA       CYS  18   4.541  -1.527  -3.321
  156   1HB   CYS  18           HB2      CYS  18   3.325  -1.962  -0.603
  157   2HB   CYS  18           HB1      CYS  18   4.394  -0.603  -0.921
  158    H    LYS  19           HN       LYS  19   5.107  -3.738  -0.559
  159    HA   LYS  19           HA       LYS  19   7.731  -2.773  -0.104
  160   1HB   LYS  19           HB2      LYS  19   6.119  -4.126   1.448
  161   2HB   LYS  19           HB1      LYS  19   6.864  -5.534   0.701
  162   1HG   LYS  19           HG2      LYS  19   8.989  -4.985   1.539
  163   2HG   LYS  19           HG1      LYS  19   8.481  -3.351   1.969
  164   1HD   LYS  19           HD2      LYS  19   6.820  -4.504   3.551
  165   2HD   LYS  19           HD1      LYS  19   7.807  -5.949   3.311
  166   1HE   LYS  19           HE2      LYS  19   9.772  -4.773   4.102
  167   2HE   LYS  19           HE1      LYS  19   8.844  -3.283   4.257
  168   1HZ   LYS  19           HZ1      LYS  19   7.419  -4.541   5.887
  169   2HZ   LYS  19           HZ3      LYS  19   8.606  -5.757   5.875
  170   3HZ   LYS  19           HZ2      LYS  19   8.996  -4.195   6.401
  171    H    ASP  20           HN       ASP  20   6.411  -5.078  -2.301
  172    HA   ASP  20           HA       ASP  20   8.776  -6.491  -2.944
  173   1HB   ASP  20           HB2      ASP  20   6.612  -7.358  -3.611
  174   2HB   ASP  20           HB1      ASP  20   6.296  -5.922  -4.582
  175    H    ALA  21           HN       ALA  21   7.375  -3.473  -4.084
  176    HA   ALA  21           HA       ALA  21   9.406  -3.136  -6.127
  177   1HB   ALA  21           HB3      ALA  21   7.113  -2.401  -6.563
  178   2HB   ALA  21           HB1      ALA  21   8.243  -1.048  -6.640
  179   3HB   ALA  21           HB2      ALA  21   7.218  -1.264  -5.220
  180    H    GLY  22           HN       GLY  22   8.468  -1.595  -3.072
  181   1HA   GLY  22           HA1      GLY  22  10.826   0.104  -3.128
  182   2HA   GLY  22           HA2      GLY  22  10.835  -1.159  -1.904
  183    H    MET  23           HN       MET  23   8.527  -1.252  -0.797
  184    HA   MET  23           HA       MET  23   8.171   1.405   0.332
  185   1HB   MET  23           HB2      MET  23   5.928  -0.358  -0.654
  186   2HB   MET  23           HB1      MET  23   5.677   0.944   0.498
  187   1HG   MET  23           HG2      MET  23   5.141   1.961  -1.483
  188   2HG   MET  23           HG1      MET  23   6.834   2.407  -1.287
  189   1HE   MET  23           HE3      MET  23   7.084   3.057  -3.828
  190   2HE   MET  23           HE2      MET  23   6.599   2.013  -5.164
  191   3HE   MET  23           HE1      MET  23   5.380   2.692  -4.087
  192    H    ARG  24           HN       ARG  24   8.895   1.117   2.295
  193    HA   ARG  24           HA       ARG  24   9.058  -1.275   3.676
  194   1HB   ARG  24           HB2      ARG  24  10.108   0.025   5.266
  195   2HB   ARG  24           HB1      ARG  24  10.348   0.939   3.799
  196   1HG   ARG  24           HG2      ARG  24   8.395   2.350   4.447
  197   2HG   ARG  24           HG1      ARG  24   8.397   1.525   6.007
  198   1HD   ARG  24           HD2      ARG  24  10.639   3.155   4.822
  199   2HD   ARG  24           HD1      ARG  24   9.618   3.606   6.186
  200    HE   ARG  24           HE       ARG  24  10.626   1.602   7.332
  201   1HH1  ARG  24          1HH1      ARG  24  12.308   3.301   4.773
  202   2HH1  ARG  24          2HH1      ARG  24  13.887   2.879   5.352
  203   1HH2  ARG  24          1HH2      ARG  24  12.715   1.043   8.102
  204   2HH2  ARG  24          2HH2      ARG  24  14.124   1.602   7.246
  205    H    PHE  25           HN       PHE  25   6.490   1.088   3.514
  206    HA   PHE  25           HA       PHE  25   4.977  -0.565   5.429
  207   1HB   PHE  25           HB2      PHE  25   4.951   2.441   5.184
  208   2HB   PHE  25           HB1      PHE  25   3.667   1.542   5.977
  209    HD1  PHE  25           HD1      PHE  25   4.537  -0.175   7.800
  210    HD2  PHE  25           HD2      PHE  25   6.635   3.288   6.492
  211    HE1  PHE  25           HE1      PHE  25   5.794  -0.144   9.914
  212    HE2  PHE  25           HE2      PHE  25   7.901   3.318   8.599
  213    HZ   PHE  25           HZ       PHE  25   7.481   1.602  10.314
  214    H    GLY  26           HN       GLY  26   2.765  -0.792   5.022
  215   1HA   GLY  26           HA1      GLY  26   1.860  -1.383   2.565
  216   2HA   GLY  26           HA2      GLY  26   1.605   0.359   2.630
  217    H    LYS  27           HN       LYS  27   0.105   1.206   4.102
  218    HA   LYS  27           HA       LYS  27  -1.448  -0.754   5.642
  219   1HB   LYS  27           HB2      LYS  27  -0.298   0.855   7.046
  220   2HB   LYS  27           HB1      LYS  27  -0.967   2.192   6.123
  221   1HG   LYS  27           HG2      LYS  27  -3.170   1.730   6.926
  222   2HG   LYS  27           HG1      LYS  27  -2.628   0.241   7.696
  223   1HD   LYS  27           HD2      LYS  27  -2.888   1.951   9.373
  224   2HD   LYS  27           HD1      LYS  27  -1.176   1.586   9.185
  225   1HE   LYS  27           HE2      LYS  27  -2.408   3.852   7.668
  226   2HE   LYS  27           HE1      LYS  27  -1.974   4.059   9.360
  227   1HZ   LYS  27           HZ1      LYS  27   0.305   3.336   8.757
  228   2HZ   LYS  27           HZ3      LYS  27  -0.148   3.361   7.122
  229   3HZ   LYS  27           HZ2      LYS  27  -0.166   4.790   8.025
  230    H    CYS  28           HN       CYS  28  -3.579  -0.935   5.348
  231    HA   CYS  28           HA       CYS  28  -4.801   0.382   3.105
  232   1HB   CYS  28           HB2      CYS  28  -5.353  -1.917   3.520
  233   2HB   CYS  28           HB1      CYS  28  -5.852  -1.563   5.167
  234    H    MET  29           HN       MET  29  -6.152   2.106   3.122
  235    HA   MET  29           HA       MET  29  -7.026   3.146   5.725
  236   1HB   MET  29           HB2      MET  29  -5.468   4.682   3.649
  237   2HB   MET  29           HB1      MET  29  -6.346   5.447   4.964
  238   1HG   MET  29           HG2      MET  29  -4.135   3.445   5.340
  239   2HG   MET  29           HG1      MET  29  -3.916   5.194   5.369
  240   1HE   MET  29           HE1      MET  29  -5.021   6.786   7.164
  241   2HE   MET  29           HE3      MET  29  -6.620   6.120   6.830
  242   3HE   MET  29           HE2      MET  29  -6.038   6.222   8.491
  243    H    ASN  30           HN       ASN  30  -9.139   2.529   5.143
  244    HA   ASN  30           HA       ASN  30 -11.261   3.086   4.562
  245   1HB   ASN  30           HB2      ASN  30  -9.866   5.711   4.182
  246   2HB   ASN  30           HB1      ASN  30 -11.574   5.542   3.784
  247   1HD2  ASN  30          1HD2      ASN  30 -13.059   5.409   5.382
  248   2HD2  ASN  30          2HD2      ASN  30 -12.678   5.572   7.068
  249    H    GLY  31           HN       GLY  31  -9.251   2.175   2.447
  250   1HA   GLY  31           HA1      GLY  31 -10.773   3.053   0.088
  251   2HA   GLY  31           HA2      GLY  31 -10.609   1.338   0.436
  252    H    LYS  32           HN       LYS  32  -8.301   4.034   0.581
  253    HA   LYS  32           HA       LYS  32  -6.873   2.948  -1.703
  254   1HB   LYS  32           HB2      LYS  32  -6.747   5.508  -0.168
  255   2HB   LYS  32           HB1      LYS  32  -5.362   5.016  -1.143
  256   1HG   LYS  32           HG2      LYS  32  -6.636   5.066  -3.134
  257   2HG   LYS  32           HG1      LYS  32  -8.153   5.201  -2.244
  258   1HD   LYS  32           HD2      LYS  32  -6.000   7.283  -2.056
  259   2HD   LYS  32           HD1      LYS  32  -7.234   7.321  -3.317
  260   1HE   LYS  32           HE2      LYS  32  -7.837   7.223  -0.364
  261   2HE   LYS  32           HE1      LYS  32  -7.774   8.711  -1.308
  262   1HZ   LYS  32           HZ1      LYS  32  -9.610   6.428  -1.823
  263   2HZ   LYS  32           HZ3      LYS  32 -10.042   7.887  -1.070
  264   3HZ   LYS  32           HZ2      LYS  32  -9.555   7.877  -2.695
  265    H    CYS  33           HN       CYS  33  -4.638   2.596  -1.695
  266    HA   CYS  33           HA       CYS  33  -3.690   1.385   0.777
  267   1HB   CYS  33           HB2      CYS  33  -2.544   1.305  -2.021
  268   2HB   CYS  33           HB1      CYS  33  -1.978   0.360  -0.648
  269    H    HIS  34           HN       HIS  34  -2.455   2.523   2.079
  270    HA   HIS  34           HA       HIS  34  -0.934   4.793   1.007
  271   1HB   HIS  34           HB2      HIS  34  -1.908   4.071   3.755
  272   2HB   HIS  34           HB1      HIS  34  -0.648   5.278   3.532
  273    HD1  HIS  34           HD1      HIS  34  -1.654   7.506   3.767
  274    HD2  HIS  34           HD2      HIS  34  -4.189   4.883   1.776
  275    HE1  HIS  34           HE1      HIS  34  -3.701   8.845   3.193
  276    HE2  HIS  34           HE2      HIS  34  -5.309   7.177   2.210
  277    H    CYS  35           HN       CYS  35   0.955   4.006   0.260
  278    HA   CYS  35           HA       CYS  35   2.439   2.162   1.992
  279   1HB   CYS  35           HB2      CYS  35   2.680   2.659  -0.981
  280   2HB   CYS  35           HB1      CYS  35   3.721   1.577  -0.066
  281    H    THR  36           HN       THR  36   4.225   2.806   2.951
  282    HA   THR  36           HA       THR  36   5.459   5.362   2.210
  283    HB   THR  36           HB       THR  36   6.141   3.602   4.579
  284    HG1  THR  36           HG1      THR  36   4.251   5.746   4.433
  285   1HG2  THR  36          3HG2      THR  36   7.780   5.342   4.034
  286   2HG2  THR  36          2HG2      THR  36   6.508   6.562   4.085
  287   3HG2  THR  36          1HG2      THR  36   6.960   5.697   5.554
  288    HA   PRO  37           HA       PRO  37   8.337   3.035  -0.143
  289   1HB   PRO  37           HB2      PRO  37  10.192   5.291  -0.055
  290   2HB   PRO  37           HB1      PRO  37   9.260   4.665  -1.417
  291   1HG   PRO  37           HG2      PRO  37   8.717   7.043  -0.257
  292   2HG   PRO  37           HG1      PRO  37   7.460   6.022  -0.980
  293   1HD   PRO  37           HD2      PRO  37   8.214   6.341   1.909
  294   2HD   PRO  37           HD1      PRO  37   6.599   6.259   1.170
  295    H    LYS  38           HN       LYS  38  10.202   1.888  -0.025
  296    HA   LYS  38           HA       LYS  38  11.447   1.508   2.492
  297   1HB   LYS  38           HB2      LYS  38  11.988   0.511  -0.294
  298   2HB   LYS  38           HB1      LYS  38  13.094   0.168   1.024
  299   1HG   LYS  38           HG2      LYS  38  10.220  -0.453   1.375
  300   2HG   LYS  38           HG1      LYS  38  11.249  -1.532   0.422
  301   1HD   LYS  38           HD2      LYS  38  12.107  -0.566   3.109
  302   2HD   LYS  38           HD1      LYS  38  11.021  -1.954   2.964
  303   1HE   LYS  38           HE2      LYS  38  12.652  -3.135   1.644
  304   2HE   LYS  38           HE1      LYS  38  13.695  -1.715   1.588
  305   1HZ   LYS  38           HZ1      LYS  38  12.967  -3.126   4.094
  306   2HZ   LYS  38           HZ3      LYS  38  14.377  -3.443   3.210
  307   3HZ   LYS  38           HZ2      LYS  38  14.134  -1.910   3.901

  No H/Q in entry =         307
  Start of MODEL   15
    1    H1   GLY   1           HT3      GLY   1   3.504  11.190  -1.816
    2    H2   GLY   1           HT2      GLY   1   2.611  10.653  -0.480
    3    H3   GLY   1           HT1      GLY   1   4.169  11.277  -0.258
    4   1HA   GLY   1           HA2      GLY   1   4.065   8.830  -0.109
    5   2HA   GLY   1           HA1      GLY   1   5.168   9.431  -1.337
    6    H    VAL   2           HN       VAL   2   4.138   6.836  -1.392
    7    HA   VAL   2           HA       VAL   2   2.858   7.006  -4.004
    8    HB   VAL   2           HB       VAL   2   3.408   4.480  -4.025
    9   1HG1  VAL   2          2HG1      VAL   2   5.607   6.551  -4.043
   10   2HG1  VAL   2          1HG1      VAL   2   5.695   4.950  -4.782
   11   3HG1  VAL   2          3HG1      VAL   2   4.548   6.142  -5.394
   12   1HG2  VAL   2          2HG2      VAL   2   3.904   4.263  -1.640
   13   2HG2  VAL   2          1HG2      VAL   2   5.309   3.846  -2.619
   14   3HG2  VAL   2          3HG2      VAL   2   5.236   5.408  -1.805
   15    H    ILE   3           HN       ILE   3   0.767   7.355  -3.547
   16    HA   ILE   3           HA       ILE   3  -0.632   5.366  -1.900
   17    HB   ILE   3           HB       ILE   3  -1.770   7.967  -2.919
   18   1HG1  ILE   3          2HG1      ILE   3   0.160   8.539  -1.560
   19   2HG1  ILE   3          1HG1      ILE   3  -1.308   8.880  -0.648
   20   1HG2  ILE   3          1HG2      ILE   3  -2.583   6.095  -0.701
   21   2HG2  ILE   3          3HG2      ILE   3  -3.355   7.639  -1.053
   22   3HG2  ILE   3          2HG2      ILE   3  -3.415   6.333  -2.237
   23   1HD1  ILE   3          2HD1      ILE   3   0.434   6.446  -0.315
   24   2HD1  ILE   3          1HD1      ILE   3   0.418   7.862   0.739
   25   3HD1  ILE   3          3HD1      ILE   3  -1.009   6.834   0.621
   26    H    ILE   4           HN       ILE   4  -1.382   3.730  -3.081
   27    HA   ILE   4           HA       ILE   4  -2.052   4.175  -5.877
   28    HB   ILE   4           HB       ILE   4  -2.236   1.730  -6.043
   29   1HG1  ILE   4          2HG1      ILE   4  -1.437   1.751  -3.119
   30   2HG1  ILE   4          1HG1      ILE   4  -3.001   1.249  -3.754
   31   1HG2  ILE   4          3HG2      ILE   4  -0.107   2.813  -6.453
   32   2HG2  ILE   4          2HG2      ILE   4   0.295   2.719  -4.739
   33   3HG2  ILE   4          1HG2      ILE   4   0.146   1.242  -5.692
   34   1HD1  ILE   4          3HD1      ILE   4  -0.369  -0.093  -4.315
   35   2HD1  ILE   4          2HD1      ILE   4  -1.605  -0.658  -3.190
   36   3HD1  ILE   4          1HD1      ILE   4  -1.945  -0.600  -4.921
   37    H    ASN   5           HN       ASN   5  -4.033   3.901  -6.766
   38    HA   ASN   5           HA       ASN   5  -6.268   4.183  -4.943
   39   1HB   ASN   5           HB2      ASN   5  -6.169   4.251  -7.968
   40   2HB   ASN   5           HB1      ASN   5  -7.590   4.610  -6.997
   41   1HD2  ASN   5          1HD2      ASN   5  -7.859   6.696  -7.555
   42   2HD2  ASN   5          2HD2      ASN   5  -6.705   7.945  -7.218
   43    H    VAL   6           HN       VAL   6  -5.635   1.902  -4.272
   44    HA   VAL   6           HA       VAL   6  -7.196  -0.030  -5.854
   45    HB   VAL   6           HB       VAL   6  -4.845  -0.586  -4.025
   46   1HG1  VAL   6          3HG1      VAL   6  -6.483  -2.463  -5.730
   47   2HG1  VAL   6          2HG1      VAL   6  -5.013  -2.896  -4.857
   48   3HG1  VAL   6          1HG1      VAL   6  -6.453  -2.400  -3.968
   49   1HG2  VAL   6          1HG2      VAL   6  -5.063  -0.725  -7.029
   50   2HG2  VAL   6          3HG2      VAL   6  -4.117   0.435  -6.095
   51   3HG2  VAL   6          2HG2      VAL   6  -3.682  -1.273  -6.081
   52    H    LYS   7           HN       LYS   7  -8.990  -0.716  -4.855
   53    HA   LYS   7           HA       LYS   7  -9.785  -0.049  -2.282
   54   1HB   LYS   7           HB2      LYS   7 -11.474  -0.835  -3.743
   55   2HB   LYS   7           HB1      LYS   7 -10.586  -2.304  -4.111
   56   1HG   LYS   7           HG2      LYS   7 -12.313  -3.024  -2.748
   57   2HG   LYS   7           HG1      LYS   7 -10.944  -2.917  -1.648
   58   1HD   LYS   7           HD2      LYS   7 -13.005  -0.739  -1.963
   59   2HD   LYS   7           HD1      LYS   7 -13.137  -2.046  -0.784
   60   1HE   LYS   7           HE2      LYS   7 -11.127  -1.308   0.333
   61   2HE   LYS   7           HE1      LYS   7 -10.829  -0.094  -0.911
   62   1HZ   LYS   7           HZ3      LYS   7 -13.252  -0.118   0.806
   63   2HZ   LYS   7           HZ2      LYS   7 -11.859   0.777   1.169
   64   3HZ   LYS   7           HZ1      LYS   7 -12.741   1.116  -0.240
   65    H    CYS   8           HN       CYS   8  -8.448  -0.408  -0.631
   66    HA   CYS   8           HA       CYS   8  -7.003  -2.858  -0.329
   67   1HB   CYS   8           HB2      CYS   8  -6.331  -1.893   1.843
   68   2HB   CYS   8           HB1      CYS   8  -6.082  -0.776   0.507
   69    H    LYS   9           HN       LYS   9  -8.737  -4.415  -0.407
   70    HA   LYS   9           HA       LYS   9 -10.730  -4.388   1.675
   71   1HB   LYS   9           HB2      LYS   9 -10.518  -5.640  -0.759
   72   2HB   LYS   9           HB1      LYS   9 -10.178  -6.956   0.356
   73   1HG   LYS   9           HG2      LYS   9 -12.553  -6.806  -0.250
   74   2HG   LYS   9           HG1      LYS   9 -12.276  -6.615   1.480
   75   1HD   LYS   9           HD2      LYS   9 -12.482  -4.191   1.259
   76   2HD   LYS   9           HD1      LYS   9 -12.716  -4.348  -0.482
   77   1HE   LYS   9           HE2      LYS   9 -14.838  -4.027   0.708
   78   2HE   LYS   9           HE1      LYS   9 -14.774  -5.585  -0.115
   79   1HZ   LYS   9           HZ3      LYS   9 -14.206  -5.185   2.774
   80   2HZ   LYS   9           HZ2      LYS   9 -15.696  -5.713   2.150
   81   3HZ   LYS   9           HZ1      LYS   9 -14.309  -6.668   1.958
   82    H    ILE  10           HN       ILE  10  -7.564  -4.921   1.531
   83    HA   ILE  10           HA       ILE  10  -7.241  -5.844   4.188
   84    HB   ILE  10           HB       ILE  10  -5.665  -7.769   3.452
   85   1HG1  ILE  10          2HG1      ILE  10  -7.569  -7.773   1.099
   86   2HG1  ILE  10          1HG1      ILE  10  -5.860  -7.358   1.027
   87   1HG2  ILE  10          3HG2      ILE  10  -7.621  -8.126   4.833
   88   2HG2  ILE  10          2HG2      ILE  10  -8.646  -8.188   3.398
   89   3HG2  ILE  10          1HG2      ILE  10  -7.432  -9.437   3.672
   90   1HD1  ILE  10          2HD1      ILE  10  -5.286  -9.633   1.725
   91   2HD1  ILE  10          1HD1      ILE  10  -7.004 -10.038   1.774
   92   3HD1  ILE  10          3HD1      ILE  10  -6.243  -9.614   0.242
   93    H    SER  11           HN       SER  11  -5.104  -5.358   4.877
   94    HA   SER  11           HA       SER  11  -3.746  -3.484   3.192
   95   1HB   SER  11           HB2      SER  11  -2.965  -4.636   5.884
   96   2HB   SER  11           HB1      SER  11  -2.145  -3.296   5.083
   97    HG   SER  11           HG       SER  11  -3.986  -2.946   6.728
   98    H    ARG  12           HN       ARG  12  -3.528  -6.840   3.772
   99    HA   ARG  12           HA       ARG  12  -0.841  -7.333   3.141
  100   1HB   ARG  12           HB2      ARG  12  -3.294  -9.050   2.732
  101   2HB   ARG  12           HB1      ARG  12  -1.639  -9.624   2.556
  102   1HG   ARG  12           HG2      ARG  12  -1.184  -9.239   4.864
  103   2HG   ARG  12           HG1      ARG  12  -2.731  -8.419   5.087
  104   1HD   ARG  12           HD2      ARG  12  -2.799 -10.694   5.958
  105   2HD   ARG  12           HD1      ARG  12  -3.908 -10.497   4.603
  106    HE   ARG  12           HE       ARG  12  -1.794 -11.470   3.338
  107   1HH1  ARG  12          1HH1      ARG  12  -3.195 -12.446   6.393
  108   2HH1  ARG  12          2HH1      ARG  12  -2.775 -14.127   6.195
  109   1HH2  ARG  12          1HH2      ARG  12  -1.220 -13.665   3.074
  110   2HH2  ARG  12          2HH2      ARG  12  -1.620 -14.817   4.312
  111    H    GLN  13           HN       GLN  13  -3.668  -6.865   1.085
  112    HA   GLN  13           HA       GLN  13  -2.372  -7.739  -1.311
  113   1HB   GLN  13           HB2      GLN  13  -4.348  -7.045  -2.464
  114   2HB   GLN  13           HB1      GLN  13  -4.861  -7.746  -0.938
  115   1HG   GLN  13           HG2      GLN  13  -5.219  -5.581  -0.003
  116   2HG   GLN  13           HG1      GLN  13  -4.575  -4.808  -1.448
  117   1HE2  GLN  13          1HE2      GLN  13  -5.814  -4.782  -3.320
  118   2HE2  GLN  13          2HE2      GLN  13  -7.514  -5.084  -3.294
  119    H    CYS  14           HN       CYS  14  -2.247  -4.907   0.522
  120    HA   CYS  14           HA       CYS  14  -1.482  -3.235  -1.748
  121   1HB   CYS  14           HB2      CYS  14  -1.708  -2.456   1.160
  122   2HB   CYS  14           HB1      CYS  14  -1.576  -1.371  -0.218
  123    H    LEU  15           HN       LEU  15  -0.218  -4.342   1.379
  124    HA   LEU  15           HA       LEU  15   2.244  -2.968   1.098
  125   1HB   LEU  15           HB2      LEU  15   1.355  -3.505   3.280
  126   2HB   LEU  15           HB1      LEU  15   1.463  -5.222   2.933
  127    HG   LEU  15           HG       LEU  15   3.929  -4.999   2.764
  128   1HD1  LEU  15          2HD1      LEU  15   4.048  -2.642   2.172
  129   2HD1  LEU  15          1HD1      LEU  15   3.430  -2.202   3.763
  130   3HD1  LEU  15          3HD1      LEU  15   5.003  -2.984   3.615
  131   1HD2  LEU  15          3HD2      LEU  15   2.881  -5.747   4.835
  132   2HD2  LEU  15          2HD2      LEU  15   4.316  -4.776   5.173
  133   3HD2  LEU  15          1HD2      LEU  15   2.709  -4.074   5.364
  134    H    LYS  16           HN       LYS  16   1.237  -6.256   0.306
  135    HA   LYS  16           HA       LYS  16   3.795  -7.358   0.073
  136   1HB   LYS  16           HB2      LYS  16   1.848  -8.791   0.120
  137   2HB   LYS  16           HB1      LYS  16   1.276  -8.138  -1.401
  138   1HG   LYS  16           HG2      LYS  16   2.301 -10.348  -1.653
  139   2HG   LYS  16           HG1      LYS  16   3.144  -9.106  -2.578
  140   1HD   LYS  16           HD2      LYS  16   4.716 -10.608  -1.455
  141   2HD   LYS  16           HD1      LYS  16   4.855  -8.957  -0.845
  142   1HE   LYS  16           HE2      LYS  16   3.410  -9.599   1.068
  143   2HE   LYS  16           HE1      LYS  16   3.411 -11.258   0.473
  144   1HZ   LYS  16           HZ3      LYS  16   5.834  -9.735   1.271
  145   2HZ   LYS  16           HZ2      LYS  16   5.056 -10.895   2.231
  146   3HZ   LYS  16           HZ1      LYS  16   5.789 -11.353   0.774
  147    HA   PRO  17           HA       PRO  17   3.888  -5.968  -4.561
  148   1HB   PRO  17           HB2      PRO  17   1.920  -3.778  -4.655
  149   2HB   PRO  17           HB1      PRO  17   2.188  -5.092  -5.804
  150   1HG   PRO  17           HG2      PRO  17   0.018  -5.027  -4.239
  151   2HG   PRO  17           HG1      PRO  17   0.824  -6.556  -4.642
  152   1HD   PRO  17           HD2      PRO  17   1.013  -4.916  -2.139
  153   2HD   PRO  17           HD1      PRO  17   0.843  -6.670  -2.320
  154    H    CYS  18           HN       CYS  18   3.158  -3.771  -1.915
  155    HA   CYS  18           HA       CYS  18   4.635  -1.585  -2.992
  156   1HB   CYS  18           HB2      CYS  18   3.489  -2.142  -0.264
  157   2HB   CYS  18           HB1      CYS  18   4.505  -0.736  -0.560
  158    H    LYS  19           HN       LYS  19   5.396  -3.962  -0.409
  159    HA   LYS  19           HA       LYS  19   8.025  -2.978  -0.026
  160   1HB   LYS  19           HB2      LYS  19   6.727  -5.617   0.628
  161   2HB   LYS  19           HB1      LYS  19   8.433  -5.322   0.951
  162   1HG   LYS  19           HG2      LYS  19   7.693  -3.285   2.254
  163   2HG   LYS  19           HG1      LYS  19   6.053  -3.928   2.131
  164   1HD   LYS  19           HD2      LYS  19   6.696  -5.930   3.302
  165   2HD   LYS  19           HD1      LYS  19   8.393  -5.440   3.290
  166   1HE   LYS  19           HE2      LYS  19   7.738  -3.427   4.612
  167   2HE   LYS  19           HE1      LYS  19   6.118  -4.108   4.743
  168   1HZ   LYS  19           HZ1      LYS  19   8.584  -5.461   5.702
  169   2HZ   LYS  19           HZ3      LYS  19   7.548  -4.547   6.684
  170   3HZ   LYS  19           HZ2      LYS  19   6.983  -5.965   5.951
  171    H    ASP  20           HN       ASP  20   6.637  -5.151  -2.344
  172    HA   ASP  20           HA       ASP  20   9.051  -6.362  -3.214
  173   1HB   ASP  20           HB2      ASP  20   6.881  -7.381  -3.664
  174   2HB   ASP  20           HB1      ASP  20   6.416  -5.998  -4.647
  175    H    ALA  21           HN       ALA  21   7.407  -3.386  -4.006
  176    HA   ALA  21           HA       ALA  21   9.181  -2.869  -6.261
  177   1HB   ALA  21           HB2      ALA  21   6.819  -2.288  -6.481
  178   2HB   ALA  21           HB3      ALA  21   7.843  -0.857  -6.601
  179   3HB   ALA  21           HB1      ALA  21   6.960  -1.186  -5.110
  180    H    GLY  22           HN       GLY  22   8.466  -1.553  -3.056
  181   1HA   GLY  22           HA1      GLY  22  10.729   0.299  -3.281
  182   2HA   GLY  22           HA2      GLY  22  10.807  -0.928  -2.015
  183    H    MET  23           HN       MET  23   8.490  -1.090  -0.936
  184    HA   MET  23           HA       MET  23   8.081   1.551   0.231
  185   1HB   MET  23           HB2      MET  23   5.855  -0.279  -0.682
  186   2HB   MET  23           HB1      MET  23   5.620   1.097   0.383
  187   1HG   MET  23           HG2      MET  23   5.035   1.938  -1.680
  188   2HG   MET  23           HG1      MET  23   6.707   2.461  -1.495
  189   1HE   MET  23           HE1      MET  23   5.197   2.479  -4.281
  190   2HE   MET  23           HE3      MET  23   6.893   2.947  -4.134
  191   3HE   MET  23           HE2      MET  23   6.405   1.776  -5.358
  192    H    ARG  24           HN       ARG  24   8.700   1.308   2.206
  193    HA   ARG  24           HA       ARG  24   8.909  -1.222   3.480
  194   1HB   ARG  24           HB2      ARG  24  10.597  -0.064   4.317
  195   2HB   ARG  24           HB1      ARG  24   9.933   1.436   3.698
  196   1HG   ARG  24           HG2      ARG  24   8.515   1.537   5.772
  197   2HG   ARG  24           HG1      ARG  24   9.438   0.161   6.380
  198   1HD   ARG  24           HD2      ARG  24  11.515   1.520   5.960
  199   2HD   ARG  24           HD1      ARG  24  10.458   2.899   5.665
  200    HE   ARG  24           HE       ARG  24   9.889   1.659   8.162
  201   1HH1  ARG  24          1HH1      ARG  24  12.022   3.898   6.524
  202   2HH1  ARG  24          2HH1      ARG  24  12.588   4.644   7.990
  203   1HH2  ARG  24          1HH2      ARG  24  10.622   2.651  10.117
  204   2HH2  ARG  24          2HH2      ARG  24  11.796   3.934  10.029
  205    H    PHE  25           HN       PHE  25   6.624   1.415   3.601
  206    HA   PHE  25           HA       PHE  25   5.094  -0.122   5.603
  207   1HB   PHE  25           HB2      PHE  25   5.064   2.843   5.031
  208   2HB   PHE  25           HB1      PHE  25   3.811   2.038   5.967
  209    HD1  PHE  25           HD1      PHE  25   4.690   0.613   7.994
  210    HD2  PHE  25           HD2      PHE  25   6.863   3.750   6.120
  211    HE1  PHE  25           HE1      PHE  25   6.056   0.869  10.020
  212    HE2  PHE  25           HE2      PHE  25   8.237   4.015   8.145
  213    HZ   PHE  25           HZ       PHE  25   7.791   2.581  10.125
  214    H    GLY  26           HN       GLY  26   2.847  -0.340   5.268
  215   1HA   GLY  26           HA1      GLY  26   1.975  -1.119   2.801
  216   2HA   GLY  26           HA2      GLY  26   1.595   0.599   2.863
  217    H    LYS  27           HN       LYS  27  -0.207   1.233   3.897
  218    HA   LYS  27           HA       LYS  27  -1.548  -0.745   5.618
  219   1HB   LYS  27           HB2      LYS  27  -0.412   0.902   7.014
  220   2HB   LYS  27           HB1      LYS  27  -1.175   2.211   6.123
  221   1HG   LYS  27           HG2      LYS  27  -3.378   1.414   6.933
  222   2HG   LYS  27           HG1      LYS  27  -2.537   0.208   7.913
  223   1HD   LYS  27           HD2      LYS  27  -2.164   3.199   8.113
  224   2HD   LYS  27           HD1      LYS  27  -3.125   2.214   9.216
  225   1HE   LYS  27           HE2      LYS  27  -1.173   1.015   9.933
  226   2HE   LYS  27           HE1      LYS  27  -0.183   1.811   8.711
  227   1HZ   LYS  27           HZ1      LYS  27  -1.524   3.181  10.976
  228   2HZ   LYS  27           HZ3      LYS  27   0.119   2.770  10.913
  229   3HZ   LYS  27           HZ2      LYS  27  -0.514   3.905   9.826
  230    H    CYS  28           HN       CYS  28  -3.672  -1.014   5.212
  231    HA   CYS  28           HA       CYS  28  -4.965   0.468   3.133
  232   1HB   CYS  28           HB2      CYS  28  -5.705  -1.768   3.356
  233   2HB   CYS  28           HB1      CYS  28  -5.918  -1.613   5.096
  234    H    MET  29           HN       MET  29  -6.079   2.303   3.311
  235    HA   MET  29           HA       MET  29  -7.284   2.929   5.883
  236   1HB   MET  29           HB2      MET  29  -6.472   5.224   5.898
  237   2HB   MET  29           HB1      MET  29  -5.124   4.100   5.904
  238   1HG   MET  29           HG2      MET  29  -4.328   5.539   4.393
  239   2HG   MET  29           HG1      MET  29  -5.263   4.530   3.291
  240   1HE   MET  29           HE2      MET  29  -5.191   7.840   5.385
  241   2HE   MET  29           HE1      MET  29  -6.733   8.583   4.958
  242   3HE   MET  29           HE3      MET  29  -6.704   7.105   5.919
  243    H    ASN  30           HN       ASN  30  -9.311   3.156   5.548
  244    HA   ASN  30           HA       ASN  30 -11.329   3.608   4.654
  245   1HB   ASN  30           HB2      ASN  30  -9.777   5.694   3.117
  246   2HB   ASN  30           HB1      ASN  30 -11.533   5.568   3.108
  247   1HD2  ASN  30          1HD2      ASN  30  -9.861   7.753   4.023
  248   2HD2  ASN  30          2HD2      ASN  30 -10.233   7.992   5.699
  249    H    GLY  31           HN       GLY  31  -9.652   4.382   1.636
  250   1HA   GLY  31           HA1      GLY  31 -11.044   3.442  -0.282
  251   2HA   GLY  31           HA2      GLY  31 -10.759   1.897   0.504
  252    H    LYS  32           HN       LYS  32  -8.041   3.738   0.943
  253    HA   LYS  32           HA       LYS  32  -6.852   2.784  -1.576
  254   1HB   LYS  32           HB2      LYS  32  -5.335   4.775  -1.433
  255   2HB   LYS  32           HB1      LYS  32  -7.025   5.161  -1.756
  256   1HG   LYS  32           HG2      LYS  32  -7.330   5.704   0.626
  257   2HG   LYS  32           HG1      LYS  32  -5.617   5.382   0.899
  258   1HD   LYS  32           HD2      LYS  32  -5.963   7.763   0.670
  259   2HD   LYS  32           HD1      LYS  32  -5.060   7.163  -0.720
  260   1HE   LYS  32           HE2      LYS  32  -7.117   7.132  -2.042
  261   2HE   LYS  32           HE1      LYS  32  -8.022   7.724  -0.650
  262   1HZ   LYS  32           HZ1      LYS  32  -6.621   9.728  -0.686
  263   2HZ   LYS  32           HZ3      LYS  32  -5.863   9.163  -2.091
  264   3HZ   LYS  32           HZ2      LYS  32  -7.512   9.537  -2.113
  265    H    CYS  33           HN       CYS  33  -4.546   2.463  -1.515
  266    HA   CYS  33           HA       CYS  33  -3.704   1.345   1.055
  267   1HB   CYS  33           HB2      CYS  33  -2.466   0.971  -1.678
  268   2HB   CYS  33           HB1      CYS  33  -2.100   0.059  -0.222
  269    H    HIS  34           HN       HIS  34  -2.697   2.857   2.245
  270    HA   HIS  34           HA       HIS  34  -0.962   4.845   1.054
  271   1HB   HIS  34           HB2      HIS  34  -2.195   4.359   3.684
  272   2HB   HIS  34           HB1      HIS  34  -0.562   5.021   3.767
  273    HD1  HIS  34           HD1      HIS  34  -0.544   7.482   3.850
  274    HD2  HIS  34           HD2      HIS  34  -3.816   6.028   1.729
  275    HE1  HIS  34           HE1      HIS  34  -1.886   9.509   3.186
  276    HE2  HIS  34           HE2      HIS  34  -3.949   8.585   2.082
  277    H    CYS  35           HN       CYS  35   0.997   4.158   0.358
  278    HA   CYS  35           HA       CYS  35   2.463   2.328   2.125
  279   1HB   CYS  35           HB2      CYS  35   2.513   2.578  -0.883
  280   2HB   CYS  35           HB1      CYS  35   3.760   1.718   0.015
  281    H    THR  36           HN       THR  36   4.390   2.931   2.863
  282    HA   THR  36           HA       THR  36   5.502   5.507   1.955
  283    HB   THR  36           HB       THR  36   6.264   4.022   4.482
  284    HG1  THR  36           HG1      THR  36   3.994   5.515   3.900
  285   1HG2  THR  36          2HG2      THR  36   6.489   6.922   3.663
  286   2HG2  THR  36          1HG2      THR  36   6.968   6.259   5.225
  287   3HG2  THR  36          3HG2      THR  36   7.816   5.764   3.760
  288    HA   PRO  37           HA       PRO  37   8.432   3.162  -0.370
  289   1HB   PRO  37           HB2      PRO  37  10.190   5.506   0.149
  290   2HB   PRO  37           HB1      PRO  37   9.766   4.732  -1.382
  291   1HG   PRO  37           HG2      PRO  37   8.660   7.045  -0.711
  292   2HG   PRO  37           HG1      PRO  37   7.690   5.777  -1.485
  293   1HD   PRO  37           HD2      PRO  37   7.786   6.601   1.390
  294   2HD   PRO  37           HD1      PRO  37   6.392   6.119   0.402
  295    H    LYS  38           HN       LYS  38  10.132   1.837  -0.060
  296    HA   LYS  38           HA       LYS  38  11.103   1.161   2.448
  297   1HB   LYS  38           HB2      LYS  38  12.144   0.702  -0.334
  298   2HB   LYS  38           HB1      LYS  38  13.050   0.146   1.057
  299   1HG   LYS  38           HG2      LYS  38  10.207  -0.634   0.524
  300   2HG   LYS  38           HG1      LYS  38  11.603  -1.561  -0.030
  301   1HD   LYS  38           HD2      LYS  38  12.344  -1.550   2.419
  302   2HD   LYS  38           HD1      LYS  38  10.696  -1.027   2.781
  303   1HE   LYS  38           HE2      LYS  38  10.739  -3.397   3.002
  304   2HE   LYS  38           HE1      LYS  38   9.882  -3.027   1.507
  305   1HZ   LYS  38           HZ2      LYS  38  12.056  -3.410   0.342
  306   2HZ   LYS  38           HZ1      LYS  38  12.663  -4.012   1.805
  307   3HZ   LYS  38           HZ3      LYS  38  11.363  -4.794   1.040

  No H/Q in entry =         307
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1   4.167  10.318  -0.491
    2    H2   GLY   1           HT3      GLY   1   5.347   9.786   0.604
    3    H3   GLY   1           HT2      GLY   1   5.537   9.495  -1.054
    4   1HA   GLY   1           HA2      GLY   1   3.435   8.336   0.693
    5   2HA   GLY   1           HA1      GLY   1   4.840   7.484   0.066
    6    H    VAL   2           HN       VAL   2   4.027   6.033  -1.333
    7    HA   VAL   2           HA       VAL   2   2.765   7.109  -3.715
    8    HB   VAL   2           HB       VAL   2   3.779   4.323  -3.114
    9   1HG1  VAL   2          1HG1      VAL   2   1.933   4.262  -4.724
   10   2HG1  VAL   2          3HG1      VAL   2   2.751   5.476  -5.710
   11   3HG1  VAL   2          2HG1      VAL   2   3.470   3.879  -5.500
   12   1HG2  VAL   2          1HG2      VAL   2   5.531   6.009  -3.280
   13   2HG2  VAL   2          3HG2      VAL   2   5.574   4.927  -4.672
   14   3HG2  VAL   2          2HG2      VAL   2   4.887   6.543  -4.832
   15    H    ILE   3           HN       ILE   3   0.699   7.535  -3.310
   16    HA   ILE   3           HA       ILE   3  -0.991   5.606  -1.939
   17    HB   ILE   3           HB       ILE   3  -1.864   8.192  -3.227
   18   1HG1  ILE   3          2HG1      ILE   3  -0.101   8.820  -1.720
   19   2HG1  ILE   3          1HG1      ILE   3  -1.628   9.187  -0.927
   20   1HG2  ILE   3          3HG2      ILE   3  -3.643   6.657  -2.627
   21   2HG2  ILE   3          2HG2      ILE   3  -3.021   6.550  -0.981
   22   3HG2  ILE   3          1HG2      ILE   3  -3.672   8.074  -1.580
   23   1HD1  ILE   3          3HD1      ILE   3  -1.421   7.140   0.394
   24   2HD1  ILE   3          2HD1      ILE   3   0.117   6.794  -0.394
   25   3HD1  ILE   3          1HD1      ILE   3  -0.048   8.219   0.635
   26    H    ILE   4           HN       ILE   4  -1.885   3.995  -3.055
   27    HA   ILE   4           HA       ILE   4  -2.308   4.378  -5.938
   28    HB   ILE   4           HB       ILE   4  -2.289   1.928  -6.137
   29   1HG1  ILE   4          2HG1      ILE   4  -1.551   1.958  -3.197
   30   2HG1  ILE   4          1HG1      ILE   4  -3.072   1.373  -3.864
   31   1HG2  ILE   4          2HG2      ILE   4   0.124   3.095  -4.761
   32   2HG2  ILE   4          1HG2      ILE   4   0.110   1.618  -5.727
   33   3HG2  ILE   4          3HG2      ILE   4  -0.242   3.168  -6.485
   34   1HD1  ILE   4          1HD1      ILE   4  -0.353   0.198  -4.418
   35   2HD1  ILE   4          3HD1      ILE   4  -1.555  -0.456  -3.306
   36   3HD1  ILE   4          2HD1      ILE   4  -1.893  -0.401  -5.036
   37    H    ASN   5           HN       ASN   5  -4.224   3.714  -6.911
   38    HA   ASN   5           HA       ASN   5  -6.538   3.944  -5.167
   39   1HB   ASN   5           HB2      ASN   5  -7.822   4.325  -7.163
   40   2HB   ASN   5           HB1      ASN   5  -6.344   5.271  -7.280
   41   1HD2  ASN   5          1HD2      ASN   5  -8.149   4.322  -9.366
   42   2HD2  ASN   5          2HD2      ASN   5  -7.179   3.375 -10.447
   43    H    VAL   6           HN       VAL   6  -4.794   1.465  -5.528
   44    HA   VAL   6           HA       VAL   6  -6.630  -0.539  -6.479
   45    HB   VAL   6           HB       VAL   6  -4.121  -0.825  -4.799
   46   1HG1  VAL   6          3HG1      VAL   6  -5.638  -2.742  -4.555
   47   2HG1  VAL   6          2HG1      VAL   6  -5.672  -2.930  -6.308
   48   3HG1  VAL   6          1HG1      VAL   6  -4.168  -3.181  -5.423
   49   1HG2  VAL   6          3HG2      VAL   6  -4.556  -1.154  -7.764
   50   2HG2  VAL   6          2HG2      VAL   6  -3.639   0.127  -6.973
   51   3HG2  VAL   6          1HG2      VAL   6  -3.066  -1.539  -6.903
   52    H    LYS   7           HN       LYS   7  -8.197  -1.538  -5.295
   53    HA   LYS   7           HA       LYS   7  -8.857  -0.393  -2.763
   54   1HB   LYS   7           HB2      LYS   7 -10.419  -1.435  -4.621
   55   2HB   LYS   7           HB1      LYS   7 -10.136  -2.923  -3.727
   56   1HG   LYS   7           HG2      LYS   7 -11.228  -0.383  -2.525
   57   2HG   LYS   7           HG1      LYS   7 -12.209  -1.745  -3.061
   58   1HD   LYS   7           HD2      LYS   7 -11.621  -3.046  -1.276
   59   2HD   LYS   7           HD1      LYS   7 -10.020  -2.307  -1.139
   60   1HE   LYS   7           HE2      LYS   7 -11.487  -1.739   0.762
   61   2HE   LYS   7           HE1      LYS   7 -10.970  -0.319  -0.145
   62   1HZ   LYS   7           HZ1      LYS   7 -13.135  -0.402  -1.313
   63   2HZ   LYS   7           HZ3      LYS   7 -13.622  -1.655  -0.278
   64   3HZ   LYS   7           HZ2      LYS   7 -13.283  -0.115   0.349
   65    H    CYS   8           HN       CYS   8  -7.612  -0.832  -1.098
   66    HA   CYS   8           HA       CYS   8  -6.403  -3.398  -0.697
   67   1HB   CYS   8           HB2      CYS   8  -5.685  -2.414   1.489
   68   2HB   CYS   8           HB1      CYS   8  -5.223  -1.449   0.092
   69    H    LYS   9           HN       LYS   9  -8.119  -4.890  -0.586
   70    HA   LYS   9           HA       LYS   9 -10.333  -4.559   1.146
   71   1HB   LYS   9           HB2      LYS   9  -9.828  -6.279  -0.828
   72   2HB   LYS   9           HB1      LYS   9  -9.341  -7.298   0.523
   73   1HG   LYS   9           HG2      LYS   9 -11.662  -7.690  -0.073
   74   2HG   LYS   9           HG1      LYS   9 -11.536  -7.003   1.548
   75   1HD   LYS   9           HD2      LYS   9 -12.035  -4.768   0.595
   76   2HD   LYS   9           HD1      LYS   9 -12.253  -5.519  -0.986
   77   1HE   LYS   9           HE2      LYS   9 -14.400  -5.153   0.105
   78   2HE   LYS   9           HE1      LYS   9 -14.083  -6.876  -0.086
   79   1HZ   LYS   9           HZ2      LYS   9 -13.637  -5.333   2.418
   80   2HZ   LYS   9           HZ1      LYS   9 -14.989  -6.314   2.106
   81   3HZ   LYS   9           HZ3      LYS   9 -13.444  -7.005   2.223
   82    H    ILE  10           HN       ILE  10  -7.128  -5.118   1.680
   83    HA   ILE  10           HA       ILE  10  -7.343  -5.274   4.513
   84    HB   ILE  10           HB       ILE  10  -5.734  -7.321   4.584
   85   1HG1  ILE  10          2HG1      ILE  10  -7.193  -7.858   1.989
   86   2HG1  ILE  10          1HG1      ILE  10  -5.465  -7.569   2.164
   87   1HG2  ILE  10          1HG2      ILE  10  -8.685  -7.701   4.111
   88   2HG2  ILE  10          3HG2      ILE  10  -7.614  -8.872   4.877
   89   3HG2  ILE  10          2HG2      ILE  10  -7.910  -7.314   5.648
   90   1HD1  ILE  10          3HD1      ILE  10  -6.969  -9.898   3.332
   91   2HD1  ILE  10          2HD1      ILE  10  -5.985  -9.938   1.869
   92   3HD1  ILE  10          1HD1      ILE  10  -5.231  -9.620   3.431
   93    H    SER  11           HN       SER  11  -4.945  -5.342   5.427
   94    HA   SER  11           HA       SER  11  -3.518  -3.340   4.016
   95   1HB   SER  11           HB2      SER  11  -2.701  -5.064   6.358
   96   2HB   SER  11           HB1      SER  11  -1.692  -3.771   5.699
   97    HG   SER  11           HG       SER  11  -3.934  -3.633   7.278
   98    H    ARG  12           HN       ARG  12  -3.341  -6.820   4.058
   99    HA   ARG  12           HA       ARG  12  -0.938  -7.370   2.833
  100   1HB   ARG  12           HB2      ARG  12  -3.663  -8.560   2.329
  101   2HB   ARG  12           HB1      ARG  12  -2.200  -9.207   1.610
  102   1HG   ARG  12           HG2      ARG  12  -2.522  -8.916   4.577
  103   2HG   ARG  12           HG1      ARG  12  -3.084 -10.339   3.700
  104   1HD   ARG  12           HD2      ARG  12  -0.979 -10.994   4.363
  105   2HD   ARG  12           HD1      ARG  12  -0.671 -10.376   2.742
  106    HE   ARG  12           HE       ARG  12  -0.278  -8.585   5.028
  107   1HH1  ARG  12          1HH1      ARG  12   1.039 -10.413   2.343
  108   2HH1  ARG  12          2HH1      ARG  12   2.662  -9.827   2.577
  109   1HH2  ARG  12          1HH2      ARG  12   1.851  -7.804   5.342
  110   2HH2  ARG  12          2HH2      ARG  12   3.127  -8.352   4.284
  111    H    GLN  13           HN       GLN  13  -3.897  -6.128   1.376
  112    HA   GLN  13           HA       GLN  13  -2.962  -6.342  -1.316
  113   1HB   GLN  13           HB2      GLN  13  -5.273  -4.745  -0.201
  114   2HB   GLN  13           HB1      GLN  13  -5.013  -5.129  -1.895
  115   1HG   GLN  13           HG2      GLN  13  -5.619  -7.052   0.333
  116   2HG   GLN  13           HG1      GLN  13  -6.677  -6.598  -1.000
  117   1HE2  GLN  13          1HE2      GLN  13  -4.616  -6.690  -3.022
  118   2HE2  GLN  13          2HE2      GLN  13  -4.226  -8.361  -3.271
  119    H    CYS  14           HN       CYS  14  -2.257  -4.201   1.152
  120    HA   CYS  14           HA       CYS  14  -1.642  -2.001  -0.680
  121   1HB   CYS  14           HB2      CYS  14  -2.739  -1.394   1.437
  122   2HB   CYS  14           HB1      CYS  14  -1.443  -2.152   2.340
  123    H    LEU  15           HN       LEU  15  -0.105  -4.056   1.768
  124    HA   LEU  15           HA       LEU  15   2.463  -2.903   1.295
  125   1HB   LEU  15           HB2      LEU  15   1.760  -3.737   3.500
  126   2HB   LEU  15           HB1      LEU  15   1.735  -5.371   2.857
  127    HG   LEU  15           HG       LEU  15   4.184  -5.054   2.287
  128   1HD1  LEU  15          1HD1      LEU  15   3.842  -2.690   4.121
  129   2HD1  LEU  15          3HD1      LEU  15   5.387  -3.367   3.607
  130   3HD1  LEU  15          2HD1      LEU  15   4.299  -2.650   2.418
  131   1HD2  LEU  15          1HD2      LEU  15   3.442  -6.429   4.156
  132   2HD2  LEU  15          3HD2      LEU  15   4.918  -5.558   4.568
  133   3HD2  LEU  15          2HD2      LEU  15   3.363  -5.003   5.191
  134    H    LYS  16           HN       LYS  16   0.861  -5.904   0.298
  135    HA   LYS  16           HA       LYS  16   3.128  -7.304  -0.499
  136   1HB   LYS  16           HB2      LYS  16   0.993  -8.420  -0.338
  137   2HB   LYS  16           HB1      LYS  16   0.338  -7.454  -1.646
  138   1HG   LYS  16           HG2      LYS  16   0.877  -9.663  -2.436
  139   2HG   LYS  16           HG1      LYS  16   1.937  -8.472  -3.191
  140   1HD   LYS  16           HD2      LYS  16   3.712  -9.037  -1.620
  141   2HD   LYS  16           HD1      LYS  16   2.649 -10.205  -0.827
  142   1HE   LYS  16           HE2      LYS  16   3.619 -10.313  -3.681
  143   2HE   LYS  16           HE1      LYS  16   4.171 -11.330  -2.352
  144   1HZ   LYS  16           HZ3      LYS  16   1.848 -12.151  -2.171
  145   2HZ   LYS  16           HZ2      LYS  16   1.472 -11.299  -3.587
  146   3HZ   LYS  16           HZ1      LYS  16   2.613 -12.554  -3.630
  147    HA   PRO  17           HA       PRO  17   2.847  -5.412  -4.907
  148   1HB   PRO  17           HB2      PRO  17   1.214  -2.995  -4.683
  149   2HB   PRO  17           HB1      PRO  17   1.082  -4.326  -5.833
  150   1HG   PRO  17           HG2      PRO  17  -0.753  -3.913  -3.907
  151   2HG   PRO  17           HG1      PRO  17  -0.327  -5.539  -4.476
  152   1HD   PRO  17           HD2      PRO  17   0.590  -4.090  -2.016
  153   2HD   PRO  17           HD1      PRO  17   0.071  -5.776  -2.196
  154    H    CYS  18           HN       CYS  18   2.750  -3.324  -2.086
  155    HA   CYS  18           HA       CYS  18   4.308  -1.270  -3.375
  156   1HB   CYS  18           HB2      CYS  18   3.081  -1.564  -0.652
  157   2HB   CYS  18           HB1      CYS  18   4.269  -0.298  -0.967
  158    H    LYS  19           HN       LYS  19   4.874  -3.433  -0.572
  159    HA   LYS  19           HA       LYS  19   7.527  -2.626  -0.159
  160   1HB   LYS  19           HB2      LYS  19   5.988  -3.967   1.376
  161   2HB   LYS  19           HB1      LYS  19   6.441  -5.374   0.425
  162   1HG   LYS  19           HG2      LYS  19   8.746  -5.102   1.029
  163   2HG   LYS  19           HG1      LYS  19   8.379  -3.597   1.878
  164   1HD   LYS  19           HD2      LYS  19   6.785  -4.975   3.302
  165   2HD   LYS  19           HD1      LYS  19   7.568  -6.398   2.606
  166   1HE   LYS  19           HE2      LYS  19   9.031  -4.178   3.998
  167   2HE   LYS  19           HE1      LYS  19   8.492  -5.650   4.802
  168   1HZ   LYS  19           HZ1      LYS  19  10.230  -5.738   2.408
  169   2HZ   LYS  19           HZ3      LYS  19  10.875  -5.570   3.966
  170   3HZ   LYS  19           HZ2      LYS  19   9.969  -6.949   3.569
  171    H    ASP  20           HN       ASP  20   6.087  -5.001  -2.287
  172    HA   ASP  20           HA       ASP  20   8.399  -6.372  -3.095
  173   1HB   ASP  20           HB2      ASP  20   6.196  -7.215  -3.637
  174   2HB   ASP  20           HB1      ASP  20   5.834  -5.777  -4.583
  175    H    ALA  21           HN       ALA  21   6.961  -3.345  -4.203
  176    HA   ALA  21           HA       ALA  21   8.939  -2.976  -6.275
  177   1HB   ALA  21           HB1      ALA  21   6.665  -2.087  -6.533
  178   2HB   ALA  21           HB2      ALA  21   7.886  -0.819  -6.645
  179   3HB   ALA  21           HB3      ALA  21   6.942  -1.007  -5.167
  180    H    GLY  22           HN       GLY  22   8.411  -1.910  -2.984
  181   1HA   GLY  22           HA1      GLY  22  10.879  -0.293  -3.092
  182   2HA   GLY  22           HA2      GLY  22  10.667  -1.508  -1.829
  183    H    MET  23           HN       MET  23   8.375  -1.308  -0.819
  184    HA   MET  23           HA       MET  23   8.297   1.413   0.250
  185   1HB   MET  23           HB2      MET  23   5.804  -0.237  -0.161
  186   2HB   MET  23           HB1      MET  23   5.914   1.456   0.307
  187   1HG   MET  23           HG2      MET  23   6.946   0.477  -2.314
  188   2HG   MET  23           HG1      MET  23   5.248   0.908  -2.096
  189   1HE   MET  23           HE1      MET  23   5.666   2.515  -4.186
  190   2HE   MET  23           HE3      MET  23   6.864   3.808  -4.202
  191   3HE   MET  23           HE2      MET  23   7.386   2.123  -4.217
  192    H    ARG  24           HN       ARG  24   9.083   1.122   2.178
  193    HA   ARG  24           HA       ARG  24   9.219  -1.324   3.521
  194   1HB   ARG  24           HB2      ARG  24  10.853  -0.145   4.443
  195   2HB   ARG  24           HB1      ARG  24  10.204   1.336   3.749
  196   1HG   ARG  24           HG2      ARG  24   8.798   1.657   5.711
  197   2HG   ARG  24           HG1      ARG  24   9.358   0.127   6.386
  198   1HD   ARG  24           HD2      ARG  24  10.509   1.995   7.423
  199   2HD   ARG  24           HD1      ARG  24  11.635   1.008   6.494
  200    HE   ARG  24           HE       ARG  24  11.466   2.754   4.729
  201   1HH1  ARG  24          1HH1      ARG  24  10.711   3.527   8.072
  202   2HH1  ARG  24          2HH1      ARG  24  11.089   5.216   7.897
  203   1HH2  ARG  24          1HH2      ARG  24  11.963   4.956   4.501
  204   2HH2  ARG  24          2HH2      ARG  24  11.796   6.033   5.854
  205    H    PHE  25           HN       PHE  25   6.778   1.160   3.571
  206    HA   PHE  25           HA       PHE  25   5.340  -0.425   5.602
  207   1HB   PHE  25           HB2      PHE  25   5.445   2.573   5.307
  208   2HB   PHE  25           HB1      PHE  25   4.147   1.767   6.177
  209    HD1  PHE  25           HD1      PHE  25   5.030  -0.013   7.954
  210    HD2  PHE  25           HD2      PHE  25   7.205   3.358   6.539
  211    HE1  PHE  25           HE1      PHE  25   6.406  -0.055   9.990
  212    HE2  PHE  25           HE2      PHE  25   8.588   3.326   8.576
  213    HZ   PHE  25           HZ       PHE  25   8.191   1.613  10.303
  214    H    GLY  26           HN       GLY  26   3.046  -0.513   5.366
  215   1HA   GLY  26           HA1      GLY  26   1.985  -1.099   2.940
  216   2HA   GLY  26           HA2      GLY  26   1.768   0.641   3.046
  217    H    LYS  27           HN       LYS  27   0.208   1.484   4.385
  218    HA   LYS  27           HA       LYS  27  -1.341  -0.494   5.916
  219   1HB   LYS  27           HB2      LYS  27  -0.431   1.258   7.344
  220   2HB   LYS  27           HB1      LYS  27  -1.123   2.499   6.305
  221   1HG   LYS  27           HG2      LYS  27  -3.375   1.699   6.868
  222   2HG   LYS  27           HG1      LYS  27  -2.667   0.486   7.932
  223   1HD   LYS  27           HD2      LYS  27  -1.729   2.225   9.335
  224   2HD   LYS  27           HD1      LYS  27  -2.344   3.468   8.239
  225   1HE   LYS  27           HE2      LYS  27  -4.632   2.755   8.700
  226   2HE   LYS  27           HE1      LYS  27  -4.030   1.487   9.768
  227   1HZ   LYS  27           HZ1      LYS  27  -3.654   4.407  10.186
  228   2HZ   LYS  27           HZ3      LYS  27  -4.783   3.430  10.997
  229   3HZ   LYS  27           HZ2      LYS  27  -3.122   3.171  11.225
  230    H    CYS  28           HN       CYS  28  -3.394  -0.847   5.389
  231    HA   CYS  28           HA       CYS  28  -4.523   0.476   3.107
  232   1HB   CYS  28           HB2      CYS  28  -5.034  -1.854   3.402
  233   2HB   CYS  28           HB1      CYS  28  -5.658  -1.568   5.025
  234    H    MET  29           HN       MET  29  -5.914   2.160   3.082
  235    HA   MET  29           HA       MET  29  -6.909   3.129   5.673
  236   1HB   MET  29           HB2      MET  29  -5.520   4.742   3.528
  237   2HB   MET  29           HB1      MET  29  -6.382   5.458   4.887
  238   1HG   MET  29           HG2      MET  29  -4.813   4.200   6.402
  239   2HG   MET  29           HG1      MET  29  -3.898   3.764   4.961
  240   1HE   MET  29           HE3      MET  29  -2.701   5.298   7.520
  241   2HE   MET  29           HE2      MET  29  -1.731   4.834   6.124
  242   3HE   MET  29           HE1      MET  29  -1.672   6.491   6.724
  243    H    ASN  30           HN       ASN  30  -8.985   2.635   5.380
  244    HA   ASN  30           HA       ASN  30 -11.145   2.874   4.742
  245   1HB   ASN  30           HB2      ASN  30 -10.056   5.107   3.018
  246   2HB   ASN  30           HB1      ASN  30 -11.768   4.738   3.183
  247   1HD2  ASN  30          1HD2      ASN  30 -12.821   5.227   5.082
  248   2HD2  ASN  30          2HD2      ASN  30 -12.134   6.267   6.290
  249    H    GLY  31           HN       GLY  31  -9.652   3.736   1.654
  250   1HA   GLY  31           HA1      GLY  31 -10.956   2.608  -0.248
  251   2HA   GLY  31           HA2      GLY  31 -10.491   1.127   0.576
  252    H    LYS  32           HN       LYS  32  -8.366   3.880   0.444
  253    HA   LYS  32           HA       LYS  32  -6.866   2.740  -1.781
  254   1HB   LYS  32           HB2      LYS  32  -6.811   5.409  -0.394
  255   2HB   LYS  32           HB1      LYS  32  -5.484   4.905  -1.435
  256   1HG   LYS  32           HG2      LYS  32  -6.937   6.257  -2.740
  257   2HG   LYS  32           HG1      LYS  32  -7.183   4.592  -3.268
  258   1HD   LYS  32           HD2      LYS  32  -9.169   4.480  -1.772
  259   2HD   LYS  32           HD1      LYS  32  -8.948   6.195  -1.427
  260   1HE   LYS  32           HE2      LYS  32  -9.414   5.017  -4.162
  261   2HE   LYS  32           HE1      LYS  32 -10.653   5.772  -3.163
  262   1HZ   LYS  32           HZ2      LYS  32  -9.329   7.835  -3.234
  263   2HZ   LYS  32           HZ1      LYS  32  -8.245   7.093  -4.301
  264   3HZ   LYS  32           HZ3      LYS  32  -9.858   7.342  -4.766
  265    H    CYS  33           HN       CYS  33  -4.650   2.354  -1.660
  266    HA   CYS  33           HA       CYS  33  -3.704   1.631   0.999
  267   1HB   CYS  33           HB2      CYS  33  -3.229  -0.151  -0.367
  268   2HB   CYS  33           HB1      CYS  33  -2.949   0.861  -1.786
  269    H    HIS  34           HN       HIS  34  -2.214   2.714   2.054
  270    HA   HIS  34           HA       HIS  34  -0.856   4.935   0.671
  271   1HB   HIS  34           HB2      HIS  34  -1.898   4.705   3.496
  272   2HB   HIS  34           HB1      HIS  34  -0.745   5.947   3.020
  273    HD1  HIS  34           HD1      HIS  34  -1.958   8.081   2.822
  274    HD2  HIS  34           HD2      HIS  34  -4.210   4.887   1.392
  275    HE1  HIS  34           HE1      HIS  34  -4.119   9.085   2.000
  276    HE2  HIS  34           HE2      HIS  34  -5.534   7.110   1.314
  277    H    CYS  35           HN       CYS  35   0.948   3.623   0.127
  278    HA   CYS  35           HA       CYS  35   2.341   2.431   2.392
  279   1HB   CYS  35           HB2      CYS  35   3.720   1.269   0.639
  280   2HB   CYS  35           HB1      CYS  35   2.023   0.827   0.692
  281    H    THR  36           HN       THR  36   4.279   2.975   3.047
  282    HA   THR  36           HA       THR  36   5.444   5.440   1.994
  283    HB   THR  36           HB       THR  36   6.242   3.931   4.491
  284    HG1  THR  36           HG1      THR  36   3.988   5.408   3.965
  285   1HG2  THR  36          1HG2      THR  36   6.563   6.824   3.684
  286   2HG2  THR  36          3HG2      THR  36   7.075   6.121   5.219
  287   3HG2  THR  36          2HG2      THR  36   7.841   5.611   3.716
  288    HA   PRO  37           HA       PRO  37   8.298   3.026  -0.351
  289   1HB   PRO  37           HB2      PRO  37  10.070   5.397  -0.124
  290   2HB   PRO  37           HB1      PRO  37   9.443   4.590  -1.566
  291   1HG   PRO  37           HG2      PRO  37   8.465   6.946  -0.814
  292   2HG   PRO  37           HG1      PRO  37   7.391   5.679  -1.442
  293   1HD   PRO  37           HD2      PRO  37   7.898   6.489   1.404
  294   2HD   PRO  37           HD1      PRO  37   6.353   6.131   0.596
  295    H    LYS  38           HN       LYS  38  10.202   1.917  -0.172
  296    HA   LYS  38           HA       LYS  38  11.005   1.072   2.291
  297   1HB   LYS  38           HB2      LYS  38  11.499  -0.100   0.183
  298   2HB   LYS  38           HB1      LYS  38  12.704   1.123  -0.210
  299   1HG   LYS  38           HG2      LYS  38  13.862  -0.758   0.633
  300   2HG   LYS  38           HG1      LYS  38  13.890   0.466   1.905
  301   1HD   LYS  38           HD2      LYS  38  11.977  -0.637   2.979
  302   2HD   LYS  38           HD1      LYS  38  12.013  -1.879   1.729
  303   1HE   LYS  38           HE2      LYS  38  14.193  -1.269   3.724
  304   2HE   LYS  38           HE1      LYS  38  13.132  -2.677   3.733
  305   1HZ   LYS  38           HZ3      LYS  38  14.090  -3.298   1.560
  306   2HZ   LYS  38           HZ2      LYS  38  15.188  -2.014   1.697
  307   3HZ   LYS  38           HZ1      LYS  38  15.232  -3.283   2.814

  No H/Q in entry =         307
  Start of MODEL   17
    1    H1   GLY   1           HT2      GLY   1   3.506   6.960   1.045
    2    H2   GLY   1           HT1      GLY   1   4.072   8.239   2.010
    3    H3   GLY   1           HT3      GLY   1   2.460   8.220   1.487
    4   1HA   GLY   1           HA2      GLY   1   4.878   8.556  -0.201
    5   2HA   GLY   1           HA1      GLY   1   3.694   9.795   0.185
    6    H    VAL   2           HN       VAL   2   4.174   6.736  -1.496
    7    HA   VAL   2           HA       VAL   2   2.575   7.636  -3.691
    8    HB   VAL   2           HB       VAL   2   3.779   4.901  -3.206
    9   1HG1  VAL   2          1HG1      VAL   2   1.961   4.861  -4.842
   10   2HG1  VAL   2          3HG1      VAL   2   2.737   6.162  -5.745
   11   3HG1  VAL   2          2HG1      VAL   2   3.518   4.586  -5.620
   12   1HG2  VAL   2          2HG2      VAL   2   5.469   6.669  -3.257
   13   2HG2  VAL   2          1HG2      VAL   2   5.575   5.647  -4.689
   14   3HG2  VAL   2          3HG2      VAL   2   4.831   7.241  -4.797
   15    H    ILE   3           HN       ILE   3   0.466   7.778  -3.347
   16    HA   ILE   3           HA       ILE   3  -0.933   5.592  -1.991
   17    HB   ILE   3           HB       ILE   3  -2.168   8.158  -2.984
   18   1HG1  ILE   3          2HG1      ILE   3  -0.385   8.841  -1.508
   19   2HG1  ILE   3          1HG1      ILE   3  -1.910   9.006  -0.647
   20   1HG2  ILE   3          1HG2      ILE   3  -2.984   6.190  -0.848
   21   2HG2  ILE   3          3HG2      ILE   3  -3.840   7.681  -1.247
   22   3HG2  ILE   3          2HG2      ILE   3  -3.725   6.383  -2.437
   23   1HD1  ILE   3          3HD1      ILE   3  -1.459   6.890   0.515
   24   2HD1  ILE   3          2HD1      ILE   3   0.088   6.779  -0.323
   25   3HD1  ILE   3          1HD1      ILE   3  -0.209   8.101   0.805
   26    H    ILE   4           HN       ILE   4  -1.846   4.047  -3.167
   27    HA   ILE   4           HA       ILE   4  -2.604   4.685  -5.941
   28    HB   ILE   4           HB       ILE   4  -2.433   2.284  -6.441
   29   1HG1  ILE   4          2HG1      ILE   4  -1.351   2.057  -3.622
   30   2HG1  ILE   4          1HG1      ILE   4  -2.871   1.382  -4.204
   31   1HG2  ILE   4          3HG2      ILE   4   0.041   3.514  -5.243
   32   2HG2  ILE   4          2HG2      ILE   4   0.026   2.137  -6.345
   33   3HG2  ILE   4          1HG2      ILE   4  -0.544   3.714  -6.893
   34   1HD1  ILE   4          3HD1      ILE   4  -0.122   0.590  -5.141
   35   2HD1  ILE   4          2HD1      ILE   4  -1.142  -0.316  -4.022
   36   3HD1  ILE   4          1HD1      ILE   4  -1.647  -0.100  -5.697
   37    H    ASN   5           HN       ASN   5  -4.569   3.825  -6.751
   38    HA   ASN   5           HA       ASN   5  -6.622   4.060  -4.716
   39   1HB   ASN   5           HB2      ASN   5  -8.178   4.378  -6.539
   40   2HB   ASN   5           HB1      ASN   5  -6.753   5.370  -6.819
   41   1HD2  ASN   5          1HD2      ASN   5  -8.574   2.606  -7.867
   42   2HD2  ASN   5          2HD2      ASN   5  -7.774   2.395  -9.385
   43    H    VAL   6           HN       VAL   6  -4.976   1.506  -5.392
   44    HA   VAL   6           HA       VAL   6  -6.845  -0.460  -6.199
   45    HB   VAL   6           HB       VAL   6  -4.361  -0.757  -4.488
   46   1HG1  VAL   6          3HG1      VAL   6  -5.890  -2.658  -4.231
   47   2HG1  VAL   6          2HG1      VAL   6  -5.924  -2.861  -5.982
   48   3HG1  VAL   6          1HG1      VAL   6  -4.423  -3.114  -5.096
   49   1HG2  VAL   6          1HG2      VAL   6  -3.892   0.173  -6.693
   50   2HG2  VAL   6          3HG2      VAL   6  -3.284  -1.476  -6.562
   51   3HG2  VAL   6          2HG2      VAL   6  -4.773  -1.154  -7.450
   52    H    LYS   7           HN       LYS   7  -8.529  -1.278  -5.110
   53    HA   LYS   7           HA       LYS   7  -9.175  -0.267  -2.533
   54   1HB   LYS   7           HB2      LYS   7 -10.753  -1.047  -4.456
   55   2HB   LYS   7           HB1      LYS   7 -10.543  -2.644  -3.757
   56   1HG   LYS   7           HG2      LYS   7 -11.564  -0.250  -2.236
   57   2HG   LYS   7           HG1      LYS   7 -12.594  -1.457  -3.003
   58   1HD   LYS   7           HD2      LYS   7 -12.471  -2.690  -1.159
   59   2HD   LYS   7           HD1      LYS   7 -10.731  -2.863  -1.406
   60   1HE   LYS   7           HE2      LYS   7 -11.097  -1.985   0.799
   61   2HE   LYS   7           HE1      LYS   7 -10.418  -0.699  -0.194
   62   1HZ   LYS   7           HZ3      LYS   7 -13.312  -1.022   0.380
   63   2HZ   LYS   7           HZ2      LYS   7 -12.283   0.021   1.230
   64   3HZ   LYS   7           HZ1      LYS   7 -12.578   0.280  -0.421
   65    H    CYS   8           HN       CYS   8  -7.973  -0.871  -0.876
   66    HA   CYS   8           HA       CYS   8  -6.846  -3.492  -0.637
   67   1HB   CYS   8           HB2      CYS   8  -6.052  -2.676   1.566
   68   2HB   CYS   8           HB1      CYS   8  -5.648  -1.580   0.252
   69    H    LYS   9           HN       LYS   9  -8.359  -5.089  -0.408
   70    HA   LYS   9           HA       LYS   9 -10.595  -5.003   1.306
   71   1HB   LYS   9           HB2      LYS   9  -8.907  -7.297   0.312
   72   2HB   LYS   9           HB1      LYS   9 -10.281  -7.550   1.372
   73   1HG   LYS   9           HG2      LYS   9 -10.953  -7.951  -0.891
   74   2HG   LYS   9           HG1      LYS   9 -11.741  -6.484  -0.311
   75   1HD   LYS   9           HD2      LYS   9 -10.323  -5.096  -1.590
   76   2HD   LYS   9           HD1      LYS   9  -9.188  -6.412  -1.902
   77   1HE   LYS   9           HE2      LYS   9 -12.016  -6.246  -2.939
   78   2HE   LYS   9           HE1      LYS   9 -10.561  -5.886  -3.867
   79   1HZ   LYS   9           HZ1      LYS   9  -9.842  -8.219  -3.372
   80   2HZ   LYS   9           HZ3      LYS   9 -11.403  -8.510  -2.768
   81   3HZ   LYS   9           HZ2      LYS   9 -11.186  -8.083  -4.396
   82    H    ILE  10           HN       ILE  10  -7.316  -5.064   1.855
   83    HA   ILE  10           HA       ILE  10  -7.375  -4.892   4.653
   84    HB   ILE  10           HB       ILE  10  -5.776  -6.946   4.942
   85   1HG1  ILE  10          2HG1      ILE  10  -7.490  -7.862   2.622
   86   2HG1  ILE  10          1HG1      ILE  10  -5.746  -7.625   2.592
   87   1HG2  ILE  10          3HG2      ILE  10  -7.822  -6.662   6.189
   88   2HG2  ILE  10          2HG2      ILE  10  -8.766  -7.282   4.835
   89   3HG2  ILE  10          1HG2      ILE  10  -7.643  -8.343   5.687
   90   1HD1  ILE  10          1HD1      ILE  10  -5.489  -9.430   4.227
   91   2HD1  ILE  10          3HD1      ILE  10  -7.235  -9.670   4.219
   92   3HD1  ILE  10          2HD1      ILE  10  -6.298  -9.973   2.757
   93    H    SER  11           HN       SER  11  -5.005  -4.807   5.477
   94    HA   SER  11           HA       SER  11  -3.531  -3.135   3.744
   95   1HB   SER  11           HB2      SER  11  -2.616  -4.572   6.248
   96   2HB   SER  11           HB1      SER  11  -1.758  -3.248   5.459
   97    HG   SER  11           HG       SER  11  -4.003  -3.209   7.067
   98    H    ARG  12           HN       ARG  12  -3.431  -6.567   4.368
   99    HA   ARG  12           HA       ARG  12  -0.959  -7.320   3.379
  100   1HB   ARG  12           HB2      ARG  12  -3.484  -8.831   2.734
  101   2HB   ARG  12           HB1      ARG  12  -1.871  -9.477   2.986
  102   1HG   ARG  12           HG2      ARG  12  -3.536  -8.186   5.127
  103   2HG   ARG  12           HG1      ARG  12  -3.453  -9.922   4.834
  104   1HD   ARG  12           HD2      ARG  12  -1.036  -9.860   5.269
  105   2HD   ARG  12           HD1      ARG  12  -1.151  -8.128   5.600
  106    HE   ARG  12           HE       ARG  12  -2.982  -9.235   7.282
  107   1HH1  ARG  12          1HH1      ARG  12   0.449  -9.767   6.741
  108   2HH1  ARG  12          2HH1      ARG  12   0.741 -10.290   8.373
  109   1HH2  ARG  12          1HH2      ARG  12  -2.590  -9.918   9.418
  110   2HH2  ARG  12          2HH2      ARG  12  -0.983 -10.374   9.897
  111    H    GLN  13           HN       GLN  13  -3.868  -6.435   1.628
  112    HA   GLN  13           HA       GLN  13  -3.129  -7.471  -0.900
  113   1HB   GLN  13           HB2      GLN  13  -5.118  -5.328  -0.138
  114   2HB   GLN  13           HB1      GLN  13  -5.001  -6.044  -1.735
  115   1HG   GLN  13           HG2      GLN  13  -5.702  -7.463   0.820
  116   2HG   GLN  13           HG1      GLN  13  -6.807  -7.038  -0.484
  117   1HE2  GLN  13          1HE2      GLN  13  -4.947  -7.751  -2.599
  118   2HE2  GLN  13          2HE2      GLN  13  -4.870  -9.481  -2.619
  119    H    CYS  14           HN       CYS  14  -2.162  -4.642   0.760
  120    HA   CYS  14           HA       CYS  14  -1.546  -3.264  -1.756
  121   1HB   CYS  14           HB2      CYS  14  -1.775  -2.221   1.058
  122   2HB   CYS  14           HB1      CYS  14  -1.331  -1.240  -0.338
  123    H    LEU  15           HN       LEU  15  -0.073  -4.474   1.196
  124    HA   LEU  15           HA       LEU  15   2.334  -3.006   0.664
  125   1HB   LEU  15           HB2      LEU  15   1.175  -4.022   2.922
  126   2HB   LEU  15           HB1      LEU  15   2.539  -5.100   2.669
  127    HG   LEU  15           HG       LEU  15   2.770  -2.101   2.726
  128   1HD1  LEU  15          2HD1      LEU  15   1.988  -2.928   4.899
  129   2HD1  LEU  15          1HD1      LEU  15   3.319  -4.085   4.940
  130   3HD1  LEU  15          3HD1      LEU  15   3.654  -2.354   4.996
  131   1HD2  LEU  15          2HD2      LEU  15   4.836  -4.282   2.887
  132   2HD2  LEU  15          1HD2      LEU  15   4.579  -3.163   1.550
  133   3HD2  LEU  15          3HD2      LEU  15   5.152  -2.560   3.103
  134    H    LYS  16           HN       LYS  16   1.152  -6.191  -0.080
  135    HA   LYS  16           HA       LYS  16   3.638  -7.355  -0.672
  136   1HB   LYS  16           HB2      LYS  16   1.896  -8.892  -0.730
  137   2HB   LYS  16           HB1      LYS  16   0.861  -7.854  -1.690
  138   1HG   LYS  16           HG2      LYS  16   1.648  -9.787  -2.954
  139   2HG   LYS  16           HG1      LYS  16   2.209  -8.273  -3.658
  140   1HD   LYS  16           HD2      LYS  16   4.373  -8.637  -2.386
  141   2HD   LYS  16           HD1      LYS  16   3.786 -10.268  -2.042
  142   1HE   LYS  16           HE2      LYS  16   3.676 -10.782  -4.387
  143   2HE   LYS  16           HE1      LYS  16   4.058  -9.116  -4.813
  144   1HZ   LYS  16           HZ3      LYS  16   6.239  -9.438  -3.711
  145   2HZ   LYS  16           HZ2      LYS  16   5.864 -11.076  -3.493
  146   3HZ   LYS  16           HZ1      LYS  16   6.010 -10.442  -5.060
  147    HA   PRO  17           HA       PRO  17   3.305  -5.351  -5.077
  148   1HB   PRO  17           HB2      PRO  17   1.387  -3.145  -4.643
  149   2HB   PRO  17           HB1      PRO  17   1.538  -4.255  -6.007
  150   1HG   PRO  17           HG2      PRO  17  -0.487  -4.469  -4.279
  151   2HG   PRO  17           HG1      PRO  17   0.284  -5.907  -4.978
  152   1HD   PRO  17           HD2      PRO  17   0.671  -4.680  -2.270
  153   2HD   PRO  17           HD1      PRO  17   0.509  -6.385  -2.715
  154    H    CYS  18           HN       CYS  18   2.846  -3.329  -2.165
  155    HA   CYS  18           HA       CYS  18   4.417  -1.189  -3.244
  156   1HB   CYS  18           HB2      CYS  18   3.380  -1.737  -0.460
  157   2HB   CYS  18           HB1      CYS  18   4.297  -0.294  -0.887
  158    H    LYS  19           HN       LYS  19   5.017  -3.632  -0.689
  159    HA   LYS  19           HA       LYS  19   7.649  -2.778  -0.161
  160   1HB   LYS  19           HB2      LYS  19   6.045  -4.336   1.178
  161   2HB   LYS  19           HB1      LYS  19   6.758  -5.615   0.207
  162   1HG   LYS  19           HG2      LYS  19   8.910  -5.209   1.086
  163   2HG   LYS  19           HG1      LYS  19   8.392  -3.699   1.840
  164   1HD   LYS  19           HD2      LYS  19   6.770  -5.086   3.191
  165   2HD   LYS  19           HD1      LYS  19   7.619  -6.510   2.584
  166   1HE   LYS  19           HE2      LYS  19   8.906  -4.235   4.070
  167   2HE   LYS  19           HE1      LYS  19   8.404  -5.756   4.806
  168   1HZ   LYS  19           HZ2      LYS  19   9.915  -6.879   3.184
  169   2HZ   LYS  19           HZ1      LYS  19  10.505  -5.351   2.749
  170   3HZ   LYS  19           HZ3      LYS  19  10.706  -5.916   4.336
  171    H    ASP  20           HN       ASP  20   6.305  -5.086  -2.446
  172    HA   ASP  20           HA       ASP  20   8.677  -6.316  -3.289
  173   1HB   ASP  20           HB2      ASP  20   6.457  -7.135  -3.932
  174   2HB   ASP  20           HB1      ASP  20   6.188  -5.687  -4.896
  175    H    ALA  21           HN       ALA  21   7.209  -3.257  -4.188
  176    HA   ALA  21           HA       ALA  21   9.237  -2.712  -6.185
  177   1HB   ALA  21           HB1      ALA  21   6.956  -1.966  -6.589
  178   2HB   ALA  21           HB3      ALA  21   7.009  -0.975  -5.129
  179   3HB   ALA  21           HB2      ALA  21   8.056  -0.589  -6.498
  180    H    GLY  22           HN       GLY  22   9.083  -2.559  -2.877
  181   1HA   GLY  22           HA1      GLY  22  11.301  -0.635  -2.804
  182   2HA   GLY  22           HA2      GLY  22  10.942  -1.835  -1.566
  183    H    MET  23           HN       MET  23   8.433  -1.449  -0.864
  184    HA   MET  23           HA       MET  23   8.551   1.260   0.246
  185   1HB   MET  23           HB2      MET  23   6.054  -0.212  -0.614
  186   2HB   MET  23           HB1      MET  23   6.069   1.306   0.281
  187   1HG   MET  23           HG2      MET  23   7.311   2.343  -1.569
  188   2HG   MET  23           HG1      MET  23   7.169   0.844  -2.482
  189   1HE   MET  23           HE2      MET  23   6.266   3.497  -3.799
  190   2HE   MET  23           HE1      MET  23   6.035   1.919  -4.550
  191   3HE   MET  23           HE3      MET  23   4.692   3.058  -4.460
  192    H    ARG  24           HN       ARG  24   8.915   1.181   2.286
  193    HA   ARG  24           HA       ARG  24   8.937  -1.194   3.764
  194   1HB   ARG  24           HB2      ARG  24  10.228   0.033   5.133
  195   2HB   ARG  24           HB1      ARG  24  10.221   1.157   3.796
  196   1HG   ARG  24           HG2      ARG  24   8.584   2.522   4.821
  197   2HG   ARG  24           HG1      ARG  24   8.271   1.321   6.077
  198   1HD   ARG  24           HD2      ARG  24   9.635   3.127   6.947
  199   2HD   ARG  24           HD1      ARG  24  10.547   1.620   6.920
  200    HE   ARG  24           HE       ARG  24  11.177   2.852   4.557
  201   1HH1  ARG  24          1HH1      ARG  24  11.335   3.750   7.932
  202   2HH1  ARG  24          2HH1      ARG  24  12.743   4.754   7.730
  203   1HH2  ARG  24          1HH2      ARG  24  13.030   4.154   4.279
  204   2HH2  ARG  24          2HH2      ARG  24  13.680   5.019   5.645
  205    H    PHE  25           HN       PHE  25   6.514   1.271   3.362
  206    HA   PHE  25           HA       PHE  25   4.904  -0.076   5.427
  207   1HB   PHE  25           HB2      PHE  25   5.348   2.843   5.021
  208   2HB   PHE  25           HB1      PHE  25   3.751   2.316   5.529
  209    HD1  PHE  25           HD1      PHE  25   3.735   0.670   7.562
  210    HD2  PHE  25           HD2      PHE  25   6.920   3.324   6.623
  211    HE1  PHE  25           HE1      PHE  25   4.482   0.589   9.901
  212    HE2  PHE  25           HE2      PHE  25   7.679   3.244   8.960
  213    HZ   PHE  25           HZ       PHE  25   6.460   1.877  10.603
  214    H    GLY  26           HN       GLY  26   2.643  -0.053   5.105
  215   1HA   GLY  26           HA1      GLY  26   1.719  -0.808   2.644
  216   2HA   GLY  26           HA2      GLY  26   1.453   0.931   2.702
  217    H    LYS  27           HN       LYS  27   0.028   1.783   4.252
  218    HA   LYS  27           HA       LYS  27  -1.453  -0.105   5.919
  219   1HB   LYS  27           HB2      LYS  27  -1.245   2.904   5.904
  220   2HB   LYS  27           HB1      LYS  27  -2.457   2.059   6.851
  221   1HG   LYS  27           HG2      LYS  27  -0.721   0.928   8.114
  222   2HG   LYS  27           HG1      LYS  27   0.521   1.707   7.128
  223   1HD   LYS  27           HD2      LYS  27  -0.090   3.871   7.948
  224   2HD   LYS  27           HD1      LYS  27  -1.514   3.220   8.760
  225   1HE   LYS  27           HE2      LYS  27   1.322   2.468   9.445
  226   2HE   LYS  27           HE1      LYS  27   0.400   3.720  10.277
  227   1HZ   LYS  27           HZ3      LYS  27  -1.283   1.965  10.777
  228   2HZ   LYS  27           HZ2      LYS  27  -0.187   0.817  10.181
  229   3HZ   LYS  27           HZ1      LYS  27   0.214   1.739  11.537
  230    H    CYS  28           HN       CYS  28  -3.516  -0.649   5.553
  231    HA   CYS  28           HA       CYS  28  -4.834   0.383   3.197
  232   1HB   CYS  28           HB2      CYS  28  -5.044  -1.966   3.597
  233   2HB   CYS  28           HB1      CYS  28  -5.606  -1.698   5.243
  234    H    MET  29           HN       MET  29  -5.787   2.271   3.325
  235    HA   MET  29           HA       MET  29  -7.498   2.897   5.614
  236   1HB   MET  29           HB2      MET  29  -5.375   4.770   4.543
  237   2HB   MET  29           HB1      MET  29  -6.576   5.184   5.752
  238   1HG   MET  29           HG2      MET  29  -4.815   2.874   6.325
  239   2HG   MET  29           HG1      MET  29  -4.089   4.479   6.355
  240   1HE   MET  29           HE1      MET  29  -7.796   3.457   7.370
  241   2HE   MET  29           HE3      MET  29  -6.817   2.111   7.953
  242   3HE   MET  29           HE2      MET  29  -7.593   3.198   9.103
  243    H    ASN  30           HN       ASN  30  -9.392   3.741   4.953
  244    HA   ASN  30           HA       ASN  30 -10.956   4.851   3.711
  245   1HB   ASN  30           HB2      ASN  30  -9.272   6.654   3.574
  246   2HB   ASN  30           HB1      ASN  30  -8.586   5.900   2.141
  247   1HD2  ASN  30          1HD2      ASN  30 -11.254   7.683   3.445
  248   2HD2  ASN  30          2HD2      ASN  30 -11.938   8.168   1.924
  249    H    GLY  31           HN       GLY  31  -9.209   2.339   2.722
  250   1HA   GLY  31           HA1      GLY  31 -10.764   1.966   0.277
  251   2HA   GLY  31           HA2      GLY  31  -9.874   0.721   1.144
  252    H    LYS  32           HN       LYS  32  -7.809   3.194   1.095
  253    HA   LYS  32           HA       LYS  32  -6.723   2.541  -1.566
  254   1HB   LYS  32           HB2      LYS  32  -6.203   4.961   0.162
  255   2HB   LYS  32           HB1      LYS  32  -5.491   4.660  -1.420
  256   1HG   LYS  32           HG2      LYS  32  -7.726   4.779  -2.426
  257   2HG   LYS  32           HG1      LYS  32  -8.427   5.066  -0.831
  258   1HD   LYS  32           HD2      LYS  32  -6.818   7.063  -0.710
  259   2HD   LYS  32           HD1      LYS  32  -6.640   6.852  -2.454
  260   1HE   LYS  32           HE2      LYS  32  -9.211   7.349  -0.957
  261   2HE   LYS  32           HE1      LYS  32  -8.344   8.515  -1.950
  262   1HZ   LYS  32           HZ1      LYS  32  -9.545   5.986  -2.953
  263   2HZ   LYS  32           HZ3      LYS  32 -10.242   7.525  -3.098
  264   3HZ   LYS  32           HZ2      LYS  32  -8.786   7.175  -3.892
  265    H    CYS  33           HN       CYS  33  -4.449   2.350  -1.759
  266    HA   CYS  33           HA       CYS  33  -3.212   1.174   0.602
  267   1HB   CYS  33           HB2      CYS  33  -2.123   1.330  -2.208
  268   2HB   CYS  33           HB1      CYS  33  -1.584   0.273  -0.910
  269    H    HIS  34           HN       HIS  34  -2.581   2.813   1.872
  270    HA   HIS  34           HA       HIS  34  -1.073   5.049   0.793
  271   1HB   HIS  34           HB2      HIS  34  -2.011   4.333   3.574
  272   2HB   HIS  34           HB1      HIS  34  -1.034   5.757   3.231
  273    HD1  HIS  34           HD1      HIS  34  -4.447   4.292   2.496
  274    HD2  HIS  34           HD2      HIS  34  -2.449   7.931   2.322
  275    HE1  HIS  34           HE1      HIS  34  -6.207   6.005   1.968
  276    HE2  HIS  34           HE2      HIS  34  -4.943   8.165   1.684
  277    H    CYS  35           HN       CYS  35   0.871   4.194   0.097
  278    HA   CYS  35           HA       CYS  35   2.354   2.567   2.027
  279   1HB   CYS  35           HB2      CYS  35   2.602   2.743  -0.979
  280   2HB   CYS  35           HB1      CYS  35   3.650   1.774   0.053
  281    H    THR  36           HN       THR  36   4.564   2.865   2.309
  282    HA   THR  36           HA       THR  36   5.653   5.478   1.490
  283    HB   THR  36           HB       THR  36   6.073   4.215   4.214
  284    HG1  THR  36           HG1      THR  36   3.863   5.110   3.619
  285   1HG2  THR  36          2HG2      THR  36   7.865   5.727   3.442
  286   2HG2  THR  36          1HG2      THR  36   6.670   7.004   3.220
  287   3HG2  THR  36          3HG2      THR  36   6.998   6.374   4.836
  288    HA   PRO  37           HA       PRO  37   8.683   2.831  -0.252
  289   1HB   PRO  37           HB2      PRO  37  10.600   5.060  -0.046
  290   2HB   PRO  37           HB1      PRO  37   9.971   4.246  -1.482
  291   1HG   PRO  37           HG2      PRO  37   9.212   6.732  -0.847
  292   2HG   PRO  37           HG1      PRO  37   8.079   5.573  -1.570
  293   1HD   PRO  37           HD2      PRO  37   8.370   6.399   1.301
  294   2HD   PRO  37           HD1      PRO  37   6.891   6.153   0.345
  295    H    LYS  38           HN       LYS  38  10.476   1.628   0.204
  296    HA   LYS  38           HA       LYS  38  11.246   1.403   2.930
  297   1HB   LYS  38           HB2      LYS  38  11.155  -0.481   1.245
  298   2HB   LYS  38           HB1      LYS  38  12.622   0.173   0.535
  299   1HG   LYS  38           HG2      LYS  38  13.337  -1.556   1.934
  300   2HG   LYS  38           HG1      LYS  38  13.652  -0.080   2.849
  301   1HD   LYS  38           HD2      LYS  38  11.649  -0.403   4.146
  302   2HD   LYS  38           HD1      LYS  38  11.204  -1.802   3.168
  303   1HE   LYS  38           HE2      LYS  38  13.159  -3.007   3.953
  304   2HE   LYS  38           HE1      LYS  38  13.685  -1.598   4.871
  305   1HZ   LYS  38           HZ3      LYS  38  11.158  -3.087   5.357
  306   2HZ   LYS  38           HZ2      LYS  38  12.581  -3.273   6.257
  307   3HZ   LYS  38           HZ1      LYS  38  11.753  -1.793   6.274

  No H/Q in entry =         307
  Start of MODEL   18
    1    H1   GLY   1           HT2      GLY   1   3.935  11.192  -1.184
    2    H2   GLY   1           HT1      GLY   1   4.814  11.085   0.261
    3    H3   GLY   1           HT3      GLY   1   5.252  10.135  -1.075
    4   1HA   GLY   1           HA2      GLY   1   2.728   9.904   0.469
    5   2HA   GLY   1           HA1      GLY   1   4.094   8.802   0.568
    6    H    VAL   2           HN       VAL   2   3.708   6.960  -0.478
    7    HA   VAL   2           HA       VAL   2   2.814   7.074  -3.237
    8    HB   VAL   2           HB       VAL   2   3.559   4.641  -1.603
    9   1HG1  VAL   2          2HG1      VAL   2   3.328   5.051  -4.582
   10   2HG1  VAL   2          1HG1      VAL   2   3.924   3.589  -3.795
   11   3HG1  VAL   2          3HG1      VAL   2   2.250   4.095  -3.566
   12   1HG2  VAL   2          1HG2      VAL   2   5.272   6.346  -3.406
   13   2HG2  VAL   2          3HG2      VAL   2   5.443   6.149  -1.660
   14   3HG2  VAL   2          2HG2      VAL   2   5.746   4.786  -2.737
   15    H    ILE   3           HN       ILE   3   0.645   7.604  -3.115
   16    HA   ILE   3           HA       ILE   3  -1.087   5.691  -1.765
   17    HB   ILE   3           HB       ILE   3  -1.513   7.967  -1.129
   18   1HG1  ILE   3          2HG1      ILE   3  -3.862   8.189  -1.806
   19   2HG1  ILE   3          1HG1      ILE   3  -3.622   6.946  -3.026
   20   1HG2  ILE   3          3HG2      ILE   3  -1.804   8.552  -4.065
   21   2HG2  ILE   3          2HG2      ILE   3  -2.280   9.657  -2.775
   22   3HG2  ILE   3          1HG2      ILE   3  -0.590   9.192  -2.959
   23   1HD1  ILE   3          2HD1      ILE   3  -3.319   6.583  -0.052
   24   2HD1  ILE   3          1HD1      ILE   3  -4.685   6.044  -1.029
   25   3HD1  ILE   3          3HD1      ILE   3  -3.088   5.336  -1.275
   26    H    ILE   4           HN       ILE   4  -1.993   4.164  -2.935
   27    HA   ILE   4           HA       ILE   4  -2.242   4.569  -5.841
   28    HB   ILE   4           HB       ILE   4  -2.036   2.137  -6.107
   29   1HG1  ILE   4          2HG1      ILE   4  -1.478   2.138  -3.130
   30   2HG1  ILE   4          1HG1      ILE   4  -2.891   1.442  -3.913
   31   1HG2  ILE   4          3HG2      ILE   4  -0.063   3.539  -6.296
   32   2HG2  ILE   4          2HG2      ILE   4   0.221   3.401  -4.561
   33   3HG2  ILE   4          1HG2      ILE   4   0.353   1.976  -5.593
   34   1HD1  ILE   4          2HD1      ILE   4  -0.050   0.525  -4.277
   35   2HD1  ILE   4          1HD1      ILE   4  -1.285  -0.268  -3.302
   36   3HD1  ILE   4          3HD1      ILE   4  -1.471  -0.176  -5.053
   37    H    ASN   5           HN       ASN   5  -4.037   3.534  -6.902
   38    HA   ASN   5           HA       ASN   5  -6.437   3.932  -5.308
   39   1HB   ASN   5           HB2      ASN   5  -6.119   3.486  -8.285
   40   2HB   ASN   5           HB1      ASN   5  -7.613   3.926  -7.467
   41   1HD2  ASN   5          1HD2      ASN   5  -7.903   5.829  -8.534
   42   2HD2  ASN   5          2HD2      ASN   5  -6.863   7.204  -8.330
   43    H    VAL   6           HN       VAL   6  -4.763   1.447  -5.146
   44    HA   VAL   6           HA       VAL   6  -6.516  -0.642  -6.096
   45    HB   VAL   6           HB       VAL   6  -4.159  -0.779  -4.195
   46   1HG1  VAL   6          1HG1      VAL   6  -5.636  -2.982  -5.632
   47   2HG1  VAL   6          3HG1      VAL   6  -4.155  -3.183  -4.694
   48   3HG1  VAL   6          2HG1      VAL   6  -5.644  -2.676  -3.895
   49   1HG2  VAL   6          1HG2      VAL   6  -4.328  -1.361  -7.149
   50   2HG2  VAL   6          3HG2      VAL   6  -3.487  -0.006  -6.393
   51   3HG2  VAL   6          2HG2      VAL   6  -2.922  -1.656  -6.125
   52    H    LYS   7           HN       LYS   7  -8.112  -1.643  -4.916
   53    HA   LYS   7           HA       LYS   7  -8.896  -0.330  -2.472
   54   1HB   LYS   7           HB2      LYS   7 -10.421  -1.418  -4.357
   55   2HB   LYS   7           HB1      LYS   7 -10.226  -2.856  -3.364
   56   1HG   LYS   7           HG2      LYS   7 -11.411  -0.215  -2.521
   57   2HG   LYS   7           HG1      LYS   7 -12.256  -1.748  -2.732
   58   1HD   LYS   7           HD2      LYS   7 -11.237  -2.695  -0.837
   59   2HD   LYS   7           HD1      LYS   7 -10.025  -1.417  -0.750
   60   1HE   LYS   7           HE2      LYS   7 -11.565  -0.961   0.979
   61   2HE   LYS   7           HE1      LYS   7 -11.934   0.184  -0.309
   62   1HZ   LYS   7           HZ2      LYS   7 -13.687  -1.430  -1.038
   63   2HZ   LYS   7           HZ1      LYS   7 -13.418  -2.280   0.404
   64   3HZ   LYS   7           HZ3      LYS   7 -13.978  -0.679   0.452
   65    H    CYS   8           HN       CYS   8  -8.121  -0.805  -0.607
   66    HA   CYS   8           HA       CYS   8  -6.562  -3.151  -0.120
   67   1HB   CYS   8           HB2      CYS   8  -6.353  -2.141   2.151
   68   2HB   CYS   8           HB1      CYS   8  -5.859  -1.087   0.829
   69    H    LYS   9           HN       LYS   9  -8.199  -4.830  -0.425
   70    HA   LYS   9           HA       LYS   9 -10.399  -5.172   1.307
   71   1HB   LYS   9           HB2      LYS   9  -8.655  -7.107  -0.206
   72   2HB   LYS   9           HB1      LYS   9  -9.892  -7.697   0.892
   73   1HG   LYS   9           HG2      LYS   9 -10.710  -7.678  -1.381
   74   2HG   LYS   9           HG1      LYS   9 -11.601  -6.515  -0.403
   75   1HD   LYS   9           HD2      LYS   9 -10.284  -4.694  -1.331
   76   2HD   LYS   9           HD1      LYS   9  -9.323  -5.842  -2.266
   77   1HE   LYS   9           HE2      LYS   9 -12.302  -5.458  -2.548
   78   2HE   LYS   9           HE1      LYS   9 -11.095  -4.698  -3.583
   79   1HZ   LYS   9           HZ2      LYS   9 -10.354  -6.894  -4.268
   80   2HZ   LYS   9           HZ1      LYS   9 -11.518  -7.626  -3.280
   81   3HZ   LYS   9           HZ3      LYS   9 -12.004  -6.680  -4.603
   82    H    ILE  10           HN       ILE  10  -7.124  -5.176   1.801
   83    HA   ILE  10           HA       ILE  10  -7.213  -5.363   4.604
   84    HB   ILE  10           HB       ILE  10  -5.408  -7.227   4.685
   85   1HG1  ILE  10          2HG1      ILE  10  -6.881  -8.078   2.187
   86   2HG1  ILE  10          1HG1      ILE  10  -5.215  -7.515   2.252
   87   1HG2  ILE  10          2HG2      ILE  10  -7.531  -7.413   5.822
   88   2HG2  ILE  10          1HG2      ILE  10  -8.300  -7.971   4.337
   89   3HG2  ILE  10          3HG2      ILE  10  -7.066  -8.961   5.117
   90   1HD1  ILE  10          3HD1      ILE  10  -6.275  -9.989   3.592
   91   2HD1  ILE  10          2HD1      ILE  10  -5.353  -9.940   2.088
   92   3HD1  ILE  10          1HD1      ILE  10  -4.601  -9.434   3.602
   93    H    SER  11           HN       SER  11  -4.728  -5.303   5.367
   94    HA   SER  11           HA       SER  11  -3.557  -3.218   3.784
   95   1HB   SER  11           HB2      SER  11  -2.522  -4.663   6.230
   96   2HB   SER  11           HB1      SER  11  -1.782  -3.228   5.518
   97    HG   SER  11           HG       SER  11  -3.948  -3.439   7.164
   98    H    ARG  12           HN       ARG  12  -3.179  -6.642   4.060
   99    HA   ARG  12           HA       ARG  12  -0.600  -6.929   2.970
  100   1HB   ARG  12           HB2      ARG  12  -2.959  -8.813   2.785
  101   2HB   ARG  12           HB1      ARG  12  -1.290  -9.236   2.428
  102   1HG   ARG  12           HG2      ARG  12  -2.341  -8.346   5.105
  103   2HG   ARG  12           HG1      ARG  12  -1.968 -10.005   4.639
  104   1HD   ARG  12           HD2      ARG  12   0.362  -9.448   4.357
  105   2HD   ARG  12           HD1      ARG  12   0.027  -7.745   4.672
  106    HE   ARG  12           HE       ARG  12  -0.870  -9.211   6.876
  107   1HH1  ARG  12          1HH1      ARG  12   2.166  -8.463   5.273
  108   2HH1  ARG  12          2HH1      ARG  12   3.103  -8.566   6.738
  109   1HH2  ARG  12          1HH2      ARG  12   0.377  -9.349   8.801
  110   2HH2  ARG  12          2HH2      ARG  12   2.096  -9.097   8.722
  111    H    GLN  13           HN       GLN  13  -3.733  -6.423   1.489
  112    HA   GLN  13           HA       GLN  13  -3.172  -7.139  -1.157
  113   1HB   GLN  13           HB2      GLN  13  -4.990  -4.971  -0.093
  114   2HB   GLN  13           HB1      GLN  13  -4.982  -5.518  -1.760
  115   1HG   GLN  13           HG2      GLN  13  -5.660  -7.170   0.656
  116   2HG   GLN  13           HG1      GLN  13  -6.801  -6.501  -0.504
  117   1HE2  GLN  13          1HE2      GLN  13  -5.140  -7.114  -2.831
  118   2HE2  GLN  13          2HE2      GLN  13  -5.238  -8.826  -3.042
  119    H    CYS  14           HN       CYS  14  -2.338  -4.366   0.705
  120    HA   CYS  14           HA       CYS  14  -1.524  -2.821  -1.624
  121   1HB   CYS  14           HB2      CYS  14  -1.367  -2.029   1.278
  122   2HB   CYS  14           HB1      CYS  14  -1.412  -0.971  -0.131
  123    H    LEU  15           HN       LEU  15  -0.184  -4.247   1.314
  124    HA   LEU  15           HA       LEU  15   2.372  -3.052   0.943
  125   1HB   LEU  15           HB2      LEU  15   1.413  -3.583   3.140
  126   2HB   LEU  15           HB1      LEU  15   1.551  -5.295   2.773
  127    HG   LEU  15           HG       LEU  15   4.009  -5.013   2.579
  128   1HD1  LEU  15          1HD1      LEU  15   4.063  -2.646   2.028
  129   2HD1  LEU  15          3HD1      LEU  15   3.438  -2.247   3.629
  130   3HD1  LEU  15          2HD1      LEU  15   5.034  -2.979   3.463
  131   1HD2  LEU  15          1HD2      LEU  15   2.763  -4.188   5.199
  132   2HD2  LEU  15          3HD2      LEU  15   3.035  -5.839   4.642
  133   3HD2  LEU  15          2HD2      LEU  15   4.407  -4.792   4.999
  134    H    LYS  16           HN       LYS  16   0.946  -6.052  -0.100
  135    HA   LYS  16           HA       LYS  16   3.335  -7.494  -0.469
  136   1HB   LYS  16           HB2      LYS  16   1.257  -8.681  -0.505
  137   2HB   LYS  16           HB1      LYS  16   0.671  -7.752  -1.865
  138   1HG   LYS  16           HG2      LYS  16   1.342  -9.992  -2.532
  139   2HG   LYS  16           HG1      LYS  16   2.334  -8.762  -3.311
  140   1HD   LYS  16           HD2      LYS  16   3.693 -10.640  -2.537
  141   2HD   LYS  16           HD1      LYS  16   4.114  -9.152  -1.690
  142   1HE   LYS  16           HE2      LYS  16   2.731  -9.862   0.209
  143   2HE   LYS  16           HE1      LYS  16   2.356 -11.364  -0.637
  144   1HZ   LYS  16           HZ1      LYS  16   5.101 -10.495   0.084
  145   2HZ   LYS  16           HZ3      LYS  16   4.170 -11.568   1.011
  146   3HZ   LYS  16           HZ2      LYS  16   4.642 -11.995  -0.561
  147    HA   PRO  17           HA       PRO  17   3.632  -5.666  -4.896
  148   1HB   PRO  17           HB2      PRO  17   1.794  -3.407  -5.060
  149   2HB   PRO  17           HB1      PRO  17   1.938  -4.800  -6.132
  150   1HG   PRO  17           HG2      PRO  17  -0.197  -4.423  -4.515
  151   2HG   PRO  17           HG1      PRO  17   0.399  -6.034  -4.959
  152   1HD   PRO  17           HD2      PRO  17   0.848  -4.474  -2.439
  153   2HD   PRO  17           HD1      PRO  17   0.473  -6.192  -2.647
  154    H    CYS  18           HN       CYS  18   3.114  -3.759  -2.054
  155    HA   CYS  18           HA       CYS  18   4.609  -1.510  -3.064
  156   1HB   CYS  18           HB2      CYS  18   3.300  -2.085  -0.424
  157   2HB   CYS  18           HB1      CYS  18   4.380  -0.708  -0.631
  158    H    LYS  19           HN       LYS  19   5.182  -3.842  -0.369
  159    HA   LYS  19           HA       LYS  19   7.796  -2.983   0.152
  160   1HB   LYS  19           HB2      LYS  19   6.353  -5.551   0.636
  161   2HB   LYS  19           HB1      LYS  19   8.098  -5.528   0.817
  162   1HG   LYS  19           HG2      LYS  19   7.765  -3.569   2.393
  163   2HG   LYS  19           HG1      LYS  19   6.048  -3.992   2.372
  164   1HD   LYS  19           HD2      LYS  19   6.737  -6.338   3.006
  165   2HD   LYS  19           HD1      LYS  19   8.359  -5.707   3.272
  166   1HE   LYS  19           HE2      LYS  19   5.852  -4.837   4.700
  167   2HE   LYS  19           HE1      LYS  19   7.115  -5.872   5.361
  168   1HZ   LYS  19           HZ3      LYS  19   8.668  -3.972   5.059
  169   2HZ   LYS  19           HZ2      LYS  19   7.343  -3.008   4.627
  170   3HZ   LYS  19           HZ1      LYS  19   7.427  -3.678   6.177
  171    H    ASP  20           HN       ASP  20   6.562  -5.266  -2.207
  172    HA   ASP  20           HA       ASP  20   9.047  -6.338  -3.006
  173   1HB   ASP  20           HB2      ASP  20   6.804  -7.353  -3.472
  174   2HB   ASP  20           HB1      ASP  20   6.537  -6.098  -4.676
  175    H    ALA  21           HN       ALA  21   7.272  -3.480  -3.974
  176    HA   ALA  21           HA       ALA  21   9.119  -2.938  -6.159
  177   1HB   ALA  21           HB2      ALA  21   6.726  -2.500  -6.467
  178   2HB   ALA  21           HB3      ALA  21   7.693  -1.037  -6.649
  179   3HB   ALA  21           HB1      ALA  21   6.783  -1.314  -5.165
  180    H    GLY  22           HN       GLY  22   8.920  -2.334  -2.852
  181   1HA   GLY  22           HA1      GLY  22  10.932  -0.193  -3.119
  182   2HA   GLY  22           HA2      GLY  22  10.883  -1.357  -1.800
  183    H    MET  23           HN       MET  23   8.149  -1.222  -1.200
  184    HA   MET  23           HA       MET  23   8.215   1.375   0.163
  185   1HB   MET  23           HB2      MET  23   5.798  -0.149  -0.795
  186   2HB   MET  23           HB1      MET  23   5.722   1.154   0.384
  187   1HG   MET  23           HG2      MET  23   5.188   2.164  -1.642
  188   2HG   MET  23           HG1      MET  23   6.877   2.580  -1.360
  189   1HE   MET  23           HE1      MET  23   7.242   3.290  -3.865
  190   2HE   MET  23           HE3      MET  23   6.809   2.284  -5.249
  191   3HE   MET  23           HE2      MET  23   5.546   2.946  -4.212
  192    H    ARG  24           HN       ARG  24   9.014   0.929   1.977
  193    HA   ARG  24           HA       ARG  24   8.897  -1.182   3.639
  194   1HB   ARG  24           HB2      ARG  24  10.066   1.065   3.898
  195   2HB   ARG  24           HB1      ARG  24   8.553   1.645   4.598
  196   1HG   ARG  24           HG2      ARG  24   8.997  -0.722   5.877
  197   2HG   ARG  24           HG1      ARG  24  10.609  -0.006   5.773
  198   1HD   ARG  24           HD2      ARG  24   8.134   1.287   6.925
  199   2HD   ARG  24           HD1      ARG  24   9.493   0.644   7.844
  200    HE   ARG  24           HE       ARG  24   9.983   2.813   5.934
  201   1HH1  ARG  24          1HH1      ARG  24   9.776   1.684   9.237
  202   2HH1  ARG  24          2HH1      ARG  24  10.516   3.112   9.904
  203   1HH2  ARG  24          1HH2      ARG  24  10.970   4.682   6.811
  204   2HH2  ARG  24          2HH2      ARG  24  11.228   4.785   8.531
  205    H    PHE  25           HN       PHE  25   6.539   1.504   3.641
  206    HA   PHE  25           HA       PHE  25   4.802  -0.133   5.348
  207   1HB   PHE  25           HB2      PHE  25   4.832   2.824   4.757
  208   2HB   PHE  25           HB1      PHE  25   3.482   2.040   5.567
  209    HD1  PHE  25           HD1      PHE  25   4.332   0.422   7.566
  210    HD2  PHE  25           HD2      PHE  25   6.325   3.889   6.113
  211    HE1  PHE  25           HE1      PHE  25   5.465   0.673   9.735
  212    HE2  PHE  25           HE2      PHE  25   7.463   4.144   8.279
  213    HZ   PHE  25           HZ       PHE  25   7.037   2.535  10.094
  214    H    GLY  26           HN       GLY  26   2.529  -0.158   4.935
  215   1HA   GLY  26           HA1      GLY  26   1.809  -1.082   2.429
  216   2HA   GLY  26           HA2      GLY  26   1.379   0.627   2.472
  217    H    LYS  27           HN       LYS  27  -0.335   1.302   3.730
  218    HA   LYS  27           HA       LYS  27  -1.651  -0.776   5.356
  219   1HB   LYS  27           HB2      LYS  27  -0.389   0.979   6.669
  220   2HB   LYS  27           HB1      LYS  27  -1.514   2.168   6.030
  221   1HG   LYS  27           HG2      LYS  27  -2.279   1.597   8.189
  222   2HG   LYS  27           HG1      LYS  27  -3.367   0.806   7.046
  223   1HD   LYS  27           HD2      LYS  27  -2.082  -1.287   7.321
  224   2HD   LYS  27           HD1      LYS  27  -1.068  -0.481   8.521
  225   1HE   LYS  27           HE2      LYS  27  -3.122  -0.033   9.857
  226   2HE   LYS  27           HE1      LYS  27  -4.028  -1.012   8.703
  227   1HZ   LYS  27           HZ3      LYS  27  -2.560  -2.886   9.253
  228   2HZ   LYS  27           HZ2      LYS  27  -1.785  -1.931  10.419
  229   3HZ   LYS  27           HZ1      LYS  27  -3.422  -2.325  10.600
  230    H    CYS  28           HN       CYS  28  -3.819  -0.946   5.183
  231    HA   CYS  28           HA       CYS  28  -5.171   0.372   3.052
  232   1HB   CYS  28           HB2      CYS  28  -5.866  -1.846   3.636
  233   2HB   CYS  28           HB1      CYS  28  -6.149  -1.381   5.304
  234    H    MET  29           HN       MET  29  -6.128   2.294   3.071
  235    HA   MET  29           HA       MET  29  -7.005   3.421   5.628
  236   1HB   MET  29           HB2      MET  29  -5.057   4.698   3.720
  237   2HB   MET  29           HB1      MET  29  -6.025   5.652   4.835
  238   1HG   MET  29           HG2      MET  29  -4.137   3.455   5.649
  239   2HG   MET  29           HG1      MET  29  -3.750   5.174   5.660
  240   1HE   MET  29           HE2      MET  29  -3.434   3.267   8.207
  241   2HE   MET  29           HE1      MET  29  -3.044   4.987   8.235
  242   3HE   MET  29           HE3      MET  29  -4.087   4.297   9.480
  243    H    ASN  30           HN       ASN  30  -9.127   3.381   5.167
  244    HA   ASN  30           HA       ASN  30 -11.093   4.271   4.473
  245   1HB   ASN  30           HB2      ASN  30  -9.313   6.356   3.196
  246   2HB   ASN  30           HB1      ASN  30 -11.067   6.474   3.313
  247   1HD2  ASN  30          1HD2      ASN  30 -12.021   6.787   5.327
  248   2HD2  ASN  30          2HD2      ASN  30 -11.113   7.371   6.680
  249    H    GLY  31           HN       GLY  31  -9.276   2.519   2.683
  250   1HA   GLY  31           HA1      GLY  31 -11.049   2.771   0.332
  251   2HA   GLY  31           HA2      GLY  31 -10.532   1.229   1.000
  252    H    LYS  32           HN       LYS  32  -8.261   3.802   0.882
  253    HA   LYS  32           HA       LYS  32  -7.089   2.749  -1.593
  254   1HB   LYS  32           HB2      LYS  32  -6.608   5.326  -0.100
  255   2HB   LYS  32           HB1      LYS  32  -5.689   4.822  -1.513
  256   1HG   LYS  32           HG2      LYS  32  -7.819   4.782  -2.799
  257   2HG   LYS  32           HG1      LYS  32  -8.636   5.444  -1.382
  258   1HD   LYS  32           HD2      LYS  32  -7.065   7.370  -1.453
  259   2HD   LYS  32           HD1      LYS  32  -6.414   6.730  -2.962
  260   1HE   LYS  32           HE2      LYS  32  -8.024   8.441  -3.469
  261   2HE   LYS  32           HE1      LYS  32  -8.685   6.877  -3.943
  262   1HZ   LYS  32           HZ2      LYS  32  -9.308   8.208  -1.364
  263   2HZ   LYS  32           HZ1      LYS  32 -10.268   8.355  -2.754
  264   3HZ   LYS  32           HZ3      LYS  32 -10.064   6.838  -2.024
  265    H    CYS  33           HN       CYS  33  -4.736   2.593  -1.669
  266    HA   CYS  33           HA       CYS  33  -3.750   1.428   0.823
  267   1HB   CYS  33           HB2      CYS  33  -2.809   1.146  -2.033
  268   2HB   CYS  33           HB1      CYS  33  -2.024   0.389  -0.645
  269    H    HIS  34           HN       HIS  34  -2.693   2.790   2.049
  270    HA   HIS  34           HA       HIS  34  -1.026   4.871   0.877
  271   1HB   HIS  34           HB2      HIS  34  -2.279   4.372   3.500
  272   2HB   HIS  34           HB1      HIS  34  -0.702   5.160   3.555
  273    HD1  HIS  34           HD1      HIS  34  -0.599   7.588   2.878
  274    HD2  HIS  34           HD2      HIS  34  -4.308   5.851   2.174
  275    HE1  HIS  34           HE1      HIS  34  -2.129   9.484   2.245
  276    HE2  HIS  34           HE2      HIS  34  -4.318   8.385   1.654
  277    H    CYS  35           HN       CYS  35   0.873   4.092   0.185
  278    HA   CYS  35           HA       CYS  35   2.364   2.335   2.000
  279   1HB   CYS  35           HB2      CYS  35   2.546   2.661  -0.997
  280   2HB   CYS  35           HB1      CYS  35   3.686   1.718  -0.048
  281    H    THR  36           HN       THR  36   4.548   2.713   2.359
  282    HA   THR  36           HA       THR  36   5.548   5.395   1.646
  283    HB   THR  36           HB       THR  36   6.077   4.009   4.284
  284    HG1  THR  36           HG1      THR  36   3.854   5.362   3.428
  285   1HG2  THR  36          3HG2      THR  36   7.699   5.733   3.614
  286   2HG2  THR  36          2HG2      THR  36   6.382   6.892   3.435
  287   3HG2  THR  36          1HG2      THR  36   6.765   6.232   5.025
  288    HA   PRO  37           HA       PRO  37   8.641   3.040  -0.335
  289   1HB   PRO  37           HB2      PRO  37  10.524   5.261   0.183
  290   2HB   PRO  37           HB1      PRO  37   9.962   4.597  -1.355
  291   1HG   PRO  37           HG2      PRO  37   9.122   6.980  -0.488
  292   2HG   PRO  37           HG1      PRO  37   8.034   5.879  -1.356
  293   1HD   PRO  37           HD2      PRO  37   8.231   6.419   1.587
  294   2HD   PRO  37           HD1      PRO  37   6.783   6.221   0.575
  295    H    LYS  38           HN       LYS  38  10.226   1.660   0.072
  296    HA   LYS  38           HA       LYS  38  11.117   1.351   2.792
  297   1HB   LYS  38           HB2      LYS  38  10.418  -0.409   0.927
  298   2HB   LYS  38           HB1      LYS  38  12.131  -0.325   0.547
  299   1HG   LYS  38           HG2      LYS  38  12.755  -1.229   2.591
  300   2HG   LYS  38           HG1      LYS  38  11.205  -0.833   3.346
  301   1HD   LYS  38           HD2      LYS  38  11.228  -3.190   2.938
  302   2HD   LYS  38           HD1      LYS  38  10.121  -2.441   1.783
  303   1HE   LYS  38           HE2      LYS  38  11.861  -2.516   0.065
  304   2HE   LYS  38           HE1      LYS  38  12.975  -3.248   1.216
  305   1HZ   LYS  38           HZ3      LYS  38  11.217  -5.071   1.416
  306   2HZ   LYS  38           HZ2      LYS  38  10.565  -4.433  -0.013
  307   3HZ   LYS  38           HZ1      LYS  38  12.146  -5.023  -0.003

  No H/Q in entry =         307
  Start of MODEL   19
    1    H1   GLY   1           HT3      GLY   1   3.230  10.492  -0.537
    2    H2   GLY   1           HT2      GLY   1   2.406   9.590   0.641
    3    H3   GLY   1           HT1      GLY   1   3.923  10.251   0.992
    4   1HA   GLY   1           HA2      GLY   1   4.076   7.874   0.578
    5   2HA   GLY   1           HA1      GLY   1   4.993   8.819  -0.587
    6    H    VAL   2           HN       VAL   2   4.054   6.155  -0.974
    7    HA   VAL   2           HA       VAL   2   2.894   6.573  -3.563
    8    HB   VAL   2           HB       VAL   2   3.557   3.984  -2.148
    9   1HG1  VAL   2          3HG1      VAL   2   1.929   3.677  -3.951
   10   2HG1  VAL   2          2HG1      VAL   2   2.996   4.532  -5.062
   11   3HG1  VAL   2          1HG1      VAL   2   3.493   2.985  -4.380
   12   1HG2  VAL   2          2HG2      VAL   2   5.507   5.420  -2.459
   13   2HG2  VAL   2          1HG2      VAL   2   5.584   4.005  -3.509
   14   3HG2  VAL   2          3HG2      VAL   2   5.125   5.573  -4.175
   15    H    ILE   3           HN       ILE   3   0.837   7.086  -3.633
   16    HA   ILE   3           HA       ILE   3  -1.103   5.529  -2.051
   17    HB   ILE   3           HB       ILE   3  -1.625   8.082  -3.586
   18   1HG1  ILE   3          2HG1      ILE   3  -0.017   8.592  -1.855
   19   2HG1  ILE   3          1HG1      ILE   3  -1.593   9.196  -1.357
   20   1HG2  ILE   3          2HG2      ILE   3  -3.215   6.621  -1.485
   21   2HG2  ILE   3          1HG2      ILE   3  -3.638   8.190  -2.172
   22   3HG2  ILE   3          3HG2      ILE   3  -3.604   6.758  -3.200
   23   1HD1  ILE   3          3HD1      ILE   3  -0.295   6.656  -0.406
   24   2HD1  ILE   3          2HD1      ILE   3  -0.417   8.165   0.496
   25   3HD1  ILE   3          1HD1      ILE   3  -1.874   7.256   0.098
   26    H    ILE   4           HN       ILE   4  -2.094   3.925  -3.116
   27    HA   ILE   4           HA       ILE   4  -2.170   4.102  -6.052
   28    HB   ILE   4           HB       ILE   4  -2.040   1.684  -6.158
   29   1HG1  ILE   4          2HG1      ILE   4  -1.867   1.784  -3.134
   30   2HG1  ILE   4          1HG1      ILE   4  -3.219   1.141  -4.062
   31   1HG2  ILE   4          1HG2      ILE   4   0.058   2.899  -4.367
   32   2HG2  ILE   4          3HG2      ILE   4   0.247   1.410  -5.293
   33   3HG2  ILE   4          2HG2      ILE   4   0.029   2.947  -6.131
   34   1HD1  ILE   4          3HD1      ILE   4  -1.756  -0.600  -4.967
   35   2HD1  ILE   4          2HD1      ILE   4  -0.415   0.043  -4.020
   36   3HD1  ILE   4          1HD1      ILE   4  -1.821  -0.645  -3.205
   37    H    ASN   5           HN       ASN   5  -3.955   3.371  -7.169
   38    HA   ASN   5           HA       ASN   5  -6.457   3.735  -5.776
   39   1HB   ASN   5           HB2      ASN   5  -7.452   3.578  -8.067
   40   2HB   ASN   5           HB1      ASN   5  -6.236   4.837  -7.903
   41   1HD2  ASN   5          1HD2      ASN   5  -7.270   3.321 -10.241
   42   2HD2  ASN   5          2HD2      ASN   5  -5.858   2.670 -11.012
   43    H    VAL   6           HN       VAL   6  -5.993   1.726  -4.516
   44    HA   VAL   6           HA       VAL   6  -7.264  -0.557  -5.872
   45    HB   VAL   6           HB       VAL   6  -4.974  -0.748  -3.894
   46   1HG1  VAL   6          1HG1      VAL   6  -6.514  -2.911  -5.323
   47   2HG1  VAL   6          3HG1      VAL   6  -5.064  -3.163  -4.351
   48   3HG1  VAL   6          2HG1      VAL   6  -6.541  -2.569  -3.595
   49   1HG2  VAL   6          2HG2      VAL   6  -5.067  -1.391  -6.840
   50   2HG2  VAL   6          1HG2      VAL   6  -4.192  -0.058  -6.087
   51   3HG2  VAL   6          3HG2      VAL   6  -3.712  -1.724  -5.759
   52    H    LYS   7           HN       LYS   7  -9.007  -1.320  -4.781
   53    HA   LYS   7           HA       LYS   7  -9.769  -0.054  -2.317
   54   1HB   LYS   7           HB2      LYS   7 -11.232  -1.091  -4.314
   55   2HB   LYS   7           HB1      LYS   7 -11.201  -2.490  -3.254
   56   1HG   LYS   7           HG2      LYS   7 -12.211   0.258  -2.526
   57   2HG   LYS   7           HG1      LYS   7 -13.206  -1.141  -2.919
   58   1HD   LYS   7           HD2      LYS   7 -13.269  -1.192  -0.616
   59   2HD   LYS   7           HD1      LYS   7 -11.892  -2.249  -0.930
   60   1HE   LYS   7           HE2      LYS   7 -10.365  -0.370  -0.541
   61   2HE   LYS   7           HE1      LYS   7 -11.741   0.687  -0.239
   62   1HZ   LYS   7           HZ2      LYS   7 -11.440  -1.756   1.371
   63   2HZ   LYS   7           HZ1      LYS   7 -10.476  -0.408   1.725
   64   3HZ   LYS   7           HZ3      LYS   7 -12.163  -0.277   1.775
   65    H    CYS   8           HN       CYS   8  -8.151  -0.594  -0.946
   66    HA   CYS   8           HA       CYS   8  -7.084  -3.098  -0.393
   67   1HB   CYS   8           HB2      CYS   8  -6.461  -2.001   1.794
   68   2HB   CYS   8           HB1      CYS   8  -5.961  -1.150   0.334
   69    H    LYS   9           HN       LYS   9  -8.597  -4.763  -0.102
   70    HA   LYS   9           HA       LYS   9 -10.649  -4.622   1.904
   71   1HB   LYS   9           HB2      LYS   9  -9.344  -7.162   0.921
   72   2HB   LYS   9           HB1      LYS   9 -10.978  -6.951   1.526
   73   1HG   LYS   9           HG2      LYS   9  -9.890  -5.987  -1.108
   74   2HG   LYS   9           HG1      LYS   9 -11.036  -7.299  -0.847
   75   1HD   LYS   9           HD2      LYS   9 -12.633  -5.659   0.090
   76   2HD   LYS   9           HD1      LYS   9 -11.494  -4.369  -0.306
   77   1HE   LYS   9           HE2      LYS   9 -12.897  -6.228  -2.211
   78   2HE   LYS   9           HE1      LYS   9 -13.125  -4.489  -2.052
   79   1HZ   LYS   9           HZ1      LYS   9 -10.730  -4.270  -2.734
   80   2HZ   LYS   9           HZ3      LYS   9 -10.755  -5.918  -3.129
   81   3HZ   LYS   9           HZ2      LYS   9 -11.777  -4.836  -3.938
   82    H    ILE  10           HN       ILE  10  -7.400  -4.710   1.916
   83    HA   ILE  10           HA       ILE  10  -6.977  -5.116   4.681
   84    HB   ILE  10           HB       ILE  10  -5.309  -7.060   4.282
   85   1HG1  ILE  10          2HG1      ILE  10  -7.229  -7.574   2.002
   86   2HG1  ILE  10          1HG1      ILE  10  -5.534  -7.137   1.837
   87   1HG2  ILE  10          1HG2      ILE  10  -7.215  -7.265   5.754
   88   2HG2  ILE  10          3HG2      ILE  10  -8.261  -7.626   4.381
   89   3HG2  ILE  10          2HG2      ILE  10  -6.983  -8.753   4.837
   90   1HD1  ILE  10          3HD1      ILE  10  -4.897  -9.228   2.929
   91   2HD1  ILE  10          2HD1      ILE  10  -6.599  -9.661   3.080
   92   3HD1  ILE  10          1HD1      ILE  10  -5.867  -9.509   1.485
   93    H    SER  11           HN       SER  11  -4.741  -4.659   5.210
   94    HA   SER  11           HA       SER  11  -3.488  -2.916   3.325
   95   1HB   SER  11           HB2      SER  11  -2.409  -4.008   5.937
   96   2HB   SER  11           HB1      SER  11  -1.794  -2.607   5.059
   97    HG   SER  11           HG       SER  11  -3.396  -2.353   6.917
   98    H    ARG  12           HN       ARG  12  -3.137  -6.211   4.305
   99    HA   ARG  12           HA       ARG  12  -0.519  -6.715   3.456
  100   1HB   ARG  12           HB2      ARG  12  -2.922  -8.444   3.920
  101   2HB   ARG  12           HB1      ARG  12  -1.427  -9.133   3.304
  102   1HG   ARG  12           HG2      ARG  12  -0.235  -8.530   5.252
  103   2HG   ARG  12           HG1      ARG  12  -1.549  -7.501   5.822
  104   1HD   ARG  12           HD2      ARG  12  -1.993 -10.424   5.374
  105   2HD   ARG  12           HD1      ARG  12  -1.228  -9.854   6.856
  106    HE   ARG  12           HE       ARG  12  -3.309  -8.407   7.063
  107   1HH1  ARG  12          1HH1      ARG  12  -3.355 -11.500   5.417
  108   2HH1  ARG  12          2HH1      ARG  12  -4.973 -11.886   5.926
  109   1HH2  ARG  12          1HH2      ARG  12  -5.451  -8.916   7.719
  110   2HH2  ARG  12          2HH2      ARG  12  -6.158 -10.433   7.222
  111    H    GLN  13           HN       GLN  13  -3.456  -6.417   1.594
  112    HA   GLN  13           HA       GLN  13  -2.414  -7.905  -0.654
  113   1HB   GLN  13           HB2      GLN  13  -4.427  -7.366  -1.799
  114   2HB   GLN  13           HB1      GLN  13  -4.876  -7.679  -0.129
  115   1HG   GLN  13           HG2      GLN  13  -5.167  -5.389   0.315
  116   2HG   GLN  13           HG1      GLN  13  -4.426  -4.931  -1.218
  117   1HE2  GLN  13          1HE2      GLN  13  -5.607  -5.132  -3.119
  118   2HE2  GLN  13          2HE2      GLN  13  -7.328  -5.338  -3.112
  119    H    CYS  14           HN       CYS  14  -2.184  -4.719   0.537
  120    HA   CYS  14           HA       CYS  14  -1.402  -3.623  -2.057
  121   1HB   CYS  14           HB2      CYS  14  -1.461  -2.163   0.572
  122   2HB   CYS  14           HB1      CYS  14  -1.542  -1.482  -1.049
  123    H    LEU  15           HN       LEU  15  -0.115  -4.622   1.018
  124    HA   LEU  15           HA       LEU  15   2.316  -3.182   0.841
  125   1HB   LEU  15           HB2      LEU  15   1.455  -3.920   2.976
  126   2HB   LEU  15           HB1      LEU  15   1.609  -5.598   2.487
  127    HG   LEU  15           HG       LEU  15   4.042  -5.353   2.371
  128   1HD1  LEU  15          2HD1      LEU  15   4.160  -2.988   1.797
  129   2HD1  LEU  15          1HD1      LEU  15   3.561  -2.558   3.399
  130   3HD1  LEU  15          3HD1      LEU  15   5.131  -3.344   3.226
  131   1HD2  LEU  15          2HD2      LEU  15   3.006  -6.119   4.438
  132   2HD2  LEU  15          1HD2      LEU  15   4.443  -5.156   4.779
  133   3HD2  LEU  15          3HD2      LEU  15   2.839  -4.452   4.988
  134    H    LYS  16           HN       LYS  16   1.405  -6.472  -0.124
  135    HA   LYS  16           HA       LYS  16   3.938  -7.457  -0.655
  136   1HB   LYS  16           HB2      LYS  16   2.276  -9.067  -0.844
  137   2HB   LYS  16           HB1      LYS  16   1.260  -8.064  -1.860
  138   1HG   LYS  16           HG2      LYS  16   2.210  -9.963  -3.078
  139   2HG   LYS  16           HG1      LYS  16   2.733  -8.419  -3.748
  140   1HD   LYS  16           HD2      LYS  16   4.862  -8.657  -2.479
  141   2HD   LYS  16           HD1      LYS  16   4.334 -10.261  -1.965
  142   1HE   LYS  16           HE2      LYS  16   4.299 -11.039  -4.239
  143   2HE   LYS  16           HE1      LYS  16   4.612  -9.416  -4.848
  144   1HZ   LYS  16           HZ3      LYS  16   6.510 -10.910  -3.118
  145   2HZ   LYS  16           HZ2      LYS  16   6.580 -10.922  -4.811
  146   3HZ   LYS  16           HZ1      LYS  16   6.805  -9.471  -3.968
  147    HA   PRO  17           HA       PRO  17   3.890  -5.551  -5.081
  148   1HB   PRO  17           HB2      PRO  17   1.836  -3.443  -4.970
  149   2HB   PRO  17           HB1      PRO  17   2.127  -4.659  -6.217
  150   1HG   PRO  17           HG2      PRO  17  -0.009  -4.790  -4.609
  151   2HG   PRO  17           HG1      PRO  17   0.835  -6.252  -5.154
  152   1HD   PRO  17           HD2      PRO  17   1.028  -4.818  -2.529
  153   2HD   PRO  17           HD1      PRO  17   0.915  -6.558  -2.852
  154    H    CYS  18           HN       CYS  18   3.285  -3.715  -2.167
  155    HA   CYS  18           HA       CYS  18   4.644  -1.380  -3.172
  156   1HB   CYS  18           HB2      CYS  18   3.438  -2.012  -0.482
  157   2HB   CYS  18           HB1      CYS  18   4.357  -0.543  -0.783
  158    H    LYS  19           HN       LYS  19   5.384  -3.714  -0.519
  159    HA   LYS  19           HA       LYS  19   7.966  -2.572  -0.100
  160   1HB   LYS  19           HB2      LYS  19   6.781  -3.933   1.625
  161   2HB   LYS  19           HB1      LYS  19   7.040  -5.364   0.635
  162   1HG   LYS  19           HG2      LYS  19   9.495  -4.955   0.811
  163   2HG   LYS  19           HG1      LYS  19   9.145  -3.658   1.952
  164   1HD   LYS  19           HD2      LYS  19   8.137  -6.452   2.399
  165   2HD   LYS  19           HD1      LYS  19   9.764  -5.983   2.876
  166   1HE   LYS  19           HE2      LYS  19   8.371  -5.758   4.790
  167   2HE   LYS  19           HE1      LYS  19   8.742  -4.133   4.222
  168   1HZ   LYS  19           HZ2      LYS  19   6.232  -5.578   3.575
  169   2HZ   LYS  19           HZ1      LYS  19   6.393  -4.480   4.861
  170   3HZ   LYS  19           HZ3      LYS  19   6.590  -3.954   3.266
  171    H    ASP  20           HN       ASP  20   6.699  -4.937  -2.270
  172    HA   ASP  20           HA       ASP  20   9.125  -6.165  -3.066
  173   1HB   ASP  20           HB2      ASP  20   6.768  -6.982  -3.524
  174   2HB   ASP  20           HB1      ASP  20   6.659  -5.739  -4.764
  175    H    ALA  21           HN       ALA  21   7.433  -3.248  -4.011
  176    HA   ALA  21           HA       ALA  21   9.229  -2.706  -6.212
  177   1HB   ALA  21           HB1      ALA  21   6.873  -2.099  -6.395
  178   2HB   ALA  21           HB2      ALA  21   7.904  -0.673  -6.509
  179   3HB   ALA  21           HB3      ALA  21   7.036  -1.016  -5.014
  180    H    GLY  22           HN       GLY  22   8.525  -1.356  -3.013
  181   1HA   GLY  22           HA1      GLY  22  10.818   0.441  -3.203
  182   2HA   GLY  22           HA2      GLY  22  10.924  -0.843  -2.006
  183    H    MET  23           HN       MET  23   8.189  -0.852  -1.274
  184    HA   MET  23           HA       MET  23   8.147   1.604   0.315
  185   1HB   MET  23           HB2      MET  23   5.886   0.085  -0.955
  186   2HB   MET  23           HB1      MET  23   5.610   1.093   0.463
  187   1HG   MET  23           HG2      MET  23   5.103   2.453  -1.361
  188   2HG   MET  23           HG1      MET  23   6.699   2.953  -0.822
  189   1HE   MET  23           HE2      MET  23   4.550   1.515  -3.681
  190   2HE   MET  23           HE1      MET  23   5.728   0.723  -4.731
  191   3HE   MET  23           HE3      MET  23   5.342   0.028  -3.156
  192    H    ARG  24           HN       ARG  24   9.004   0.980   2.170
  193    HA   ARG  24           HA       ARG  24   9.070  -1.456   3.359
  194   1HB   ARG  24           HB2      ARG  24   9.958  -0.316   5.168
  195   2HB   ARG  24           HB1      ARG  24  10.267   0.770   3.835
  196   1HG   ARG  24           HG2      ARG  24   8.387   2.148   4.476
  197   2HG   ARG  24           HG1      ARG  24   8.000   1.043   5.796
  198   1HD   ARG  24           HD2      ARG  24   9.230   3.024   6.576
  199   2HD   ARG  24           HD1      ARG  24  10.124   1.532   6.865
  200    HE   ARG  24           HE       ARG  24  11.113   2.332   4.505
  201   1HH1  ARG  24          1HH1      ARG  24  10.599   4.100   7.483
  202   2HH1  ARG  24          2HH1      ARG  24  11.981   5.124   7.251
  203   1HH2  ARG  24          1HH2      ARG  24  12.897   3.694   4.171
  204   2HH2  ARG  24          2HH2      ARG  24  13.275   4.915   5.360
  205    H    PHE  25           HN       PHE  25   6.463   0.932   3.512
  206    HA   PHE  25           HA       PHE  25   4.944  -0.995   5.147
  207   1HB   PHE  25           HB2      PHE  25   4.839   2.017   5.239
  208   2HB   PHE  25           HB1      PHE  25   3.603   0.991   5.951
  209    HD1  PHE  25           HD1      PHE  25   4.911  -1.067   7.337
  210    HD2  PHE  25           HD2      PHE  25   6.182   2.962   6.828
  211    HE1  PHE  25           HE1      PHE  25   6.235  -1.229   9.403
  212    HE2  PHE  25           HE2      PHE  25   7.513   2.806   8.891
  213    HZ   PHE  25           HZ       PHE  25   7.529   0.716  10.189
  214    H    GLY  26           HN       GLY  26   2.634  -0.947   4.841
  215   1HA   GLY  26           HA1      GLY  26   1.709  -1.447   2.361
  216   2HA   GLY  26           HA2      GLY  26   1.536   0.300   2.483
  217    H    LYS  27           HN       LYS  27  -0.105   1.144   3.688
  218    HA   LYS  27           HA       LYS  27  -1.656  -0.743   5.340
  219   1HB   LYS  27           HB2      LYS  27  -1.071   2.174   5.884
  220   2HB   LYS  27           HB1      LYS  27  -2.081   1.132   6.880
  221   1HG   LYS  27           HG2      LYS  27  -0.221  -0.203   7.514
  222   2HG   LYS  27           HG1      LYS  27   0.823   0.584   6.329
  223   1HD   LYS  27           HD2      LYS  27   0.608   2.695   7.545
  224   2HD   LYS  27           HD1      LYS  27  -0.441   1.909   8.727
  225   1HE   LYS  27           HE2      LYS  27   1.353   0.454   9.415
  226   2HE   LYS  27           HE1      LYS  27   2.402   1.088   8.148
  227   1HZ   LYS  27           HZ2      LYS  27   1.304   2.689  10.395
  228   2HZ   LYS  27           HZ1      LYS  27   2.872   2.043  10.342
  229   3HZ   LYS  27           HZ3      LYS  27   2.399   3.224   9.216
  230    H    CYS  28           HN       CYS  28  -3.790  -0.794   5.041
  231    HA   CYS  28           HA       CYS  28  -4.953   0.732   2.920
  232   1HB   CYS  28           HB2      CYS  28  -5.775  -1.489   3.236
  233   2HB   CYS  28           HB1      CYS  28  -6.127  -1.192   4.929
  234    H    MET  29           HN       MET  29  -5.858   2.680   3.046
  235    HA   MET  29           HA       MET  29  -6.689   3.632   5.700
  236   1HB   MET  29           HB2      MET  29  -5.099   5.122   3.616
  237   2HB   MET  29           HB1      MET  29  -5.918   5.921   4.952
  238   1HG   MET  29           HG2      MET  29  -3.751   3.846   5.184
  239   2HG   MET  29           HG1      MET  29  -3.568   5.581   5.440
  240   1HE   MET  29           HE3      MET  29  -2.629   3.399   7.544
  241   2HE   MET  29           HE2      MET  29  -2.470   5.132   7.831
  242   3HE   MET  29           HE1      MET  29  -3.205   4.098   9.056
  243    H    ASN  30           HN       ASN  30  -8.786   3.328   5.409
  244    HA   ASN  30           HA       ASN  30 -10.905   3.996   5.007
  245   1HB   ASN  30           HB2      ASN  30 -10.019   6.309   4.938
  246   2HB   ASN  30           HB1      ASN  30  -9.740   6.128   3.209
  247   1HD2  ASN  30          1HD2      ASN  30 -11.461   6.177   1.805
  248   2HD2  ASN  30          2HD2      ASN  30 -13.059   6.648   2.292
  249    H    GLY  31           HN       GLY  31  -9.167   4.419   1.913
  250   1HA   GLY  31           HA1      GLY  31 -10.900   3.975   0.019
  251   2HA   GLY  31           HA2      GLY  31 -10.935   2.382   0.757
  252    H    LYS  32           HN       LYS  32  -8.045   4.390   0.420
  253    HA   LYS  32           HA       LYS  32  -7.117   2.560  -1.700
  254   1HB   LYS  32           HB2      LYS  32  -5.534   4.989  -1.126
  255   2HB   LYS  32           HB1      LYS  32  -5.947   4.247  -2.662
  256   1HG   LYS  32           HG2      LYS  32  -8.178   5.193  -2.584
  257   2HG   LYS  32           HG1      LYS  32  -7.834   5.913  -1.011
  258   1HD   LYS  32           HD2      LYS  32  -6.143   7.333  -1.973
  259   2HD   LYS  32           HD1      LYS  32  -6.302   6.530  -3.535
  260   1HE   LYS  32           HE2      LYS  32  -7.458   8.688  -3.502
  261   2HE   LYS  32           HE1      LYS  32  -8.576   7.350  -3.756
  262   1HZ   LYS  32           HZ3      LYS  32  -8.097   8.654  -1.131
  263   2HZ   LYS  32           HZ2      LYS  32  -9.378   9.040  -2.169
  264   3HZ   LYS  32           HZ1      LYS  32  -9.276   7.491  -1.489
  265    H    CYS  33           HN       CYS  33  -4.706   2.306  -1.705
  266    HA   CYS  33           HA       CYS  33  -3.859   1.501   0.964
  267   1HB   CYS  33           HB2      CYS  33  -2.456   0.977  -1.654
  268   2HB   CYS  33           HB1      CYS  33  -2.262   0.127  -0.132
  269    H    HIS  34           HN       HIS  34  -2.453   2.659   2.088
  270    HA   HIS  34           HA       HIS  34  -0.873   4.729   0.713
  271   1HB   HIS  34           HB2      HIS  34  -1.796   4.435   3.572
  272   2HB   HIS  34           HB1      HIS  34  -0.533   5.574   3.116
  273    HD1  HIS  34           HD1      HIS  34  -1.600   7.811   3.247
  274    HD2  HIS  34           HD2      HIS  34  -4.057   5.016   1.388
  275    HE1  HIS  34           HE1      HIS  34  -3.629   9.086   2.483
  276    HE2  HIS  34           HE2      HIS  34  -5.191   7.329   1.571
  277    H    CYS  35           HN       CYS  35   1.081   3.987   0.197
  278    HA   CYS  35           HA       CYS  35   2.333   2.063   2.014
  279   1HB   CYS  35           HB2      CYS  35   2.736   2.514  -0.944
  280   2HB   CYS  35           HB1      CYS  35   3.700   1.403   0.027
  281    H    THR  36           HN       THR  36   3.871   2.781   3.229
  282    HA   THR  36           HA       THR  36   5.245   5.272   2.731
  283    HB   THR  36           HB       THR  36   6.028   3.275   4.846
  284    HG1  THR  36           HG1      THR  36   3.713   4.960   4.835
  285   1HG2  THR  36          2HG2      THR  36   7.346   5.321   4.633
  286   2HG2  THR  36          1HG2      THR  36   5.885   6.290   4.823
  287   3HG2  THR  36          3HG2      THR  36   6.463   5.291   6.160
  288    HA   PRO  37           HA       PRO  37   8.269   3.314   0.186
  289   1HB   PRO  37           HB2      PRO  37  10.048   5.596   0.642
  290   2HB   PRO  37           HB1      PRO  37   9.181   5.130  -0.824
  291   1HG   PRO  37           HG2      PRO  37   8.519   7.322   0.612
  292   2HG   PRO  37           HG1      PRO  37   7.322   6.367  -0.283
  293   1HD   PRO  37           HD2      PRO  37   7.974   6.319   2.648
  294   2HD   PRO  37           HD1      PRO  37   6.384   6.304   1.849
  295    H    LYS  38           HN       LYS  38  10.140   2.210   0.258
  296    HA   LYS  38           HA       LYS  38  11.207   1.644   2.885
  297   1HB   LYS  38           HB2      LYS  38  10.516  -0.044   1.108
  298   2HB   LYS  38           HB1      LYS  38  11.963   0.424   0.234
  299   1HG   LYS  38           HG2      LYS  38  13.347  -0.649   1.679
  300   2HG   LYS  38           HG1      LYS  38  12.255  -0.440   3.056
  301   1HD   LYS  38           HD2      LYS  38  10.795  -2.132   2.270
  302   2HD   LYS  38           HD1      LYS  38  11.605  -2.201   0.705
  303   1HE   LYS  38           HE2      LYS  38  12.937  -2.923   3.308
  304   2HE   LYS  38           HE1      LYS  38  12.129  -4.094   2.266
  305   1HZ   LYS  38           HZ3      LYS  38  13.660  -3.373   0.464
  306   2HZ   LYS  38           HZ2      LYS  38  14.513  -2.447   1.606
  307   3HZ   LYS  38           HZ1      LYS  38  14.434  -4.134   1.768

  No H/Q in entry =         307
  Start of MODEL   20
    1    H1   GLY   1           HT3      GLY   1   3.769  11.307  -1.309
    2    H2   GLY   1           HT2      GLY   1   2.313  11.301  -0.443
    3    H3   GLY   1           HT1      GLY   1   3.781  11.560   0.369
    4   1HA   GLY   1           HA2      GLY   1   2.921   9.310   0.714
    5   2HA   GLY   1           HA1      GLY   1   4.497   9.335  -0.065
    6    H    VAL   2           HN       VAL   2   3.869   7.145  -0.761
    7    HA   VAL   2           HA       VAL   2   2.806   7.299  -3.437
    8    HB   VAL   2           HB       VAL   2   3.783   4.864  -1.938
    9   1HG1  VAL   2          1HG1      VAL   2   2.395   4.315  -3.863
   10   2HG1  VAL   2          3HG1      VAL   2   3.385   5.353  -4.887
   11   3HG1  VAL   2          2HG1      VAL   2   4.083   3.899  -4.173
   12   1HG2  VAL   2          2HG2      VAL   2   5.266   6.729  -3.788
   13   2HG2  VAL   2          1HG2      VAL   2   5.543   6.528  -2.058
   14   3HG2  VAL   2          3HG2      VAL   2   5.894   5.202  -3.167
   15    H    ILE   3           HN       ILE   3   0.637   7.690  -3.247
   16    HA   ILE   3           HA       ILE   3  -0.964   5.705  -1.835
   17    HB   ILE   3           HB       ILE   3  -1.421   7.990  -1.213
   18   1HG1  ILE   3          2HG1      ILE   3  -3.823   8.125  -1.835
   19   2HG1  ILE   3          1HG1      ILE   3  -3.572   6.774  -2.930
   20   1HG2  ILE   3          3HG2      ILE   3  -1.883   8.484  -4.142
   21   2HG2  ILE   3          2HG2      ILE   3  -2.379   9.592  -2.864
   22   3HG2  ILE   3          1HG2      ILE   3  -0.671   9.228  -3.101
   23   1HD1  ILE   3          2HD1      ILE   3  -3.138   6.729   0.048
   24   2HD1  ILE   3          1HD1      ILE   3  -4.515   6.040  -0.812
   25   3HD1  ILE   3          3HD1      ILE   3  -2.899   5.375  -1.055
   26    H    ILE   4           HN       ILE   4  -2.071   4.218  -2.938
   27    HA   ILE   4           HA       ILE   4  -2.592   4.714  -5.795
   28    HB   ILE   4           HB       ILE   4  -2.460   2.294  -6.208
   29   1HG1  ILE   4          2HG1      ILE   4  -1.550   2.130  -3.325
   30   2HG1  ILE   4          1HG1      ILE   4  -3.041   1.464  -3.983
   31   1HG2  ILE   4          2HG2      ILE   4  -0.007   3.469  -4.914
   32   2HG2  ILE   4          1HG2      ILE   4  -0.017   2.055  -5.971
   33   3HG2  ILE   4          3HG2      ILE   4  -0.493   3.633  -6.602
   34   1HD1  ILE   4          3HD1      ILE   4  -0.257   0.593  -4.726
   35   2HD1  ILE   4          2HD1      ILE   4  -1.355  -0.253  -3.635
   36   3HD1  ILE   4          1HD1      ILE   4  -1.760  -0.089  -5.344
   37    H    ASN   5           HN       ASN   5  -4.628   4.119  -6.588
   38    HA   ASN   5           HA       ASN   5  -6.670   4.251  -4.548
   39   1HB   ASN   5           HB2      ASN   5  -8.208   4.762  -6.283
   40   2HB   ASN   5           HB1      ASN   5  -6.716   5.604  -6.684
   41   1HD2  ASN   5          1HD2      ASN   5  -8.952   4.755  -8.364
   42   2HD2  ASN   5          2HD2      ASN   5  -8.256   3.787  -9.615
   43    H    VAL   6           HN       VAL   6  -5.044   1.707  -5.371
   44    HA   VAL   6           HA       VAL   6  -6.955  -0.227  -6.153
   45    HB   VAL   6           HB       VAL   6  -4.523  -0.654  -4.398
   46   1HG1  VAL   6          2HG1      VAL   6  -6.076  -2.567  -6.137
   47   2HG1  VAL   6          1HG1      VAL   6  -4.583  -2.949  -5.281
   48   3HG1  VAL   6          3HG1      VAL   6  -6.040  -2.542  -4.375
   49   1HG2  VAL   6          1HG2      VAL   6  -4.742  -0.735  -7.407
   50   2HG2  VAL   6          3HG2      VAL   6  -3.871   0.467  -6.455
   51   3HG2  VAL   6          2HG2      VAL   6  -3.325  -1.210  -6.471
   52    H    LYS   7           HN       LYS   7  -8.623  -1.082  -5.009
   53    HA   LYS   7           HA       LYS   7  -9.129  -0.110  -2.382
   54   1HB   LYS   7           HB2      LYS   7 -10.801  -0.980  -4.257
   55   2HB   LYS   7           HB1      LYS   7 -10.602  -2.498  -3.392
   56   1HG   LYS   7           HG2      LYS   7 -11.574   0.109  -2.229
   57   2HG   LYS   7           HG1      LYS   7 -12.544  -1.325  -2.562
   58   1HD   LYS   7           HD2      LYS   7 -11.529  -2.547  -0.842
   59   2HD   LYS   7           HD1      LYS   7 -10.194  -1.402  -0.697
   60   1HE   LYS   7           HE2      LYS   7 -11.675  -1.114   1.169
   61   2HE   LYS   7           HE1      LYS   7 -11.812   0.292   0.113
   62   1HZ   LYS   7           HZ3      LYS   7 -13.694  -2.010   0.151
   63   2HZ   LYS   7           HZ2      LYS   7 -13.973  -0.505   0.883
   64   3HZ   LYS   7           HZ1      LYS   7 -13.843  -0.614  -0.802
   65    H    CYS   8           HN       CYS   8  -8.069  -0.732  -0.702
   66    HA   CYS   8           HA       CYS   8  -6.675  -3.221  -0.559
   67   1HB   CYS   8           HB2      CYS   8  -6.116  -2.398   1.755
   68   2HB   CYS   8           HB1      CYS   8  -5.672  -1.302   0.452
   69    H    LYS   9           HN       LYS   9  -8.261  -4.873  -0.623
   70    HA   LYS   9           HA       LYS   9 -10.412  -5.103   1.179
   71   1HB   LYS   9           HB2      LYS   9  -8.813  -7.048  -0.438
   72   2HB   LYS   9           HB1      LYS   9  -9.916  -7.668   0.782
   73   1HG   LYS   9           HG2      LYS   9 -10.914  -7.588  -1.468
   74   2HG   LYS   9           HG1      LYS   9 -11.789  -6.604  -0.298
   75   1HD   LYS   9           HD2      LYS   9 -10.667  -4.596  -1.164
   76   2HD   LYS   9           HD1      LYS   9  -9.813  -5.590  -2.343
   77   1HE   LYS   9           HE2      LYS   9 -12.811  -5.505  -2.179
   78   2HE   LYS   9           HE1      LYS   9 -11.891  -4.359  -3.148
   79   1HZ   LYS   9           HZ2      LYS   9 -11.619  -7.294  -3.467
   80   2HZ   LYS   9           HZ1      LYS   9 -12.744  -6.374  -4.344
   81   3HZ   LYS   9           HZ3      LYS   9 -11.086  -6.073  -4.515
   82    H    ILE  10           HN       ILE  10  -7.130  -5.168   1.640
   83    HA   ILE  10           HA       ILE  10  -7.211  -5.252   4.439
   84    HB   ILE  10           HB       ILE  10  -5.468  -7.185   4.600
   85   1HG1  ILE  10          2HG1      ILE  10  -7.071  -8.128   2.220
   86   2HG1  ILE  10          1HG1      ILE  10  -5.374  -7.661   2.188
   87   1HG2  ILE  10          3HG2      ILE  10  -7.550  -7.176   5.818
   88   2HG2  ILE  10          2HG2      ILE  10  -8.406  -7.781   4.400
   89   3HG2  ILE  10          1HG2      ILE  10  -7.207  -8.793   5.202
   90   1HD1  ILE  10          2HD1      ILE  10  -6.540  -9.971   3.720
   91   2HD1  ILE  10          1HD1      ILE  10  -5.632 -10.073   2.210
   92   3HD1  ILE  10          3HD1      ILE  10  -4.840  -9.509   3.681
   93    H    SER  11           HN       SER  11  -4.878  -5.013   5.287
   94    HA   SER  11           HA       SER  11  -3.568  -3.105   3.692
   95   1HB   SER  11           HB2      SER  11  -2.480  -4.664   6.050
   96   2HB   SER  11           HB1      SER  11  -1.779  -3.190   5.380
   97    HG   SER  11           HG       SER  11  -4.123  -3.546   6.868
   98    H    ARG  12           HN       ARG  12  -2.993  -6.558   4.162
   99    HA   ARG  12           HA       ARG  12  -0.496  -6.763   2.913
  100   1HB   ARG  12           HB2      ARG  12  -2.715  -8.795   3.105
  101   2HB   ARG  12           HB1      ARG  12  -1.082  -9.158   2.568
  102   1HG   ARG  12           HG2      ARG  12  -0.218  -8.449   4.745
  103   2HG   ARG  12           HG1      ARG  12  -1.866  -8.117   5.279
  104   1HD   ARG  12           HD2      ARG  12  -2.421 -10.502   4.842
  105   2HD   ARG  12           HD1      ARG  12  -0.717 -10.787   4.486
  106    HE   ARG  12           HE       ARG  12  -0.791  -9.588   6.974
  107   1HH1  ARG  12          1HH1      ARG  12  -1.983 -12.543   5.511
  108   2HH1  ARG  12          2HH1      ARG  12  -1.971 -13.435   7.003
  109   1HH2  ARG  12          1HH2      ARG  12  -0.778 -10.758   8.931
  110   2HH2  ARG  12          2HH2      ARG  12  -1.314 -12.411   8.952
  111    H    GLN  13           HN       GLN  13  -3.642  -6.341   1.516
  112    HA   GLN  13           HA       GLN  13  -3.167  -7.430  -1.045
  113   1HB   GLN  13           HB2      GLN  13  -4.992  -5.205  -0.136
  114   2HB   GLN  13           HB1      GLN  13  -4.963  -5.790  -1.787
  115   1HG   GLN  13           HG2      GLN  13  -5.686  -7.369   0.665
  116   2HG   GLN  13           HG1      GLN  13  -6.790  -6.770  -0.567
  117   1HE2  GLN  13          1HE2      GLN  13  -5.027  -7.436  -2.793
  118   2HE2  GLN  13          2HE2      GLN  13  -5.081  -9.157  -2.942
  119    H    CYS  14           HN       CYS  14  -2.229  -4.458   0.452
  120    HA   CYS  14           HA       CYS  14  -1.453  -3.314  -2.126
  121   1HB   CYS  14           HB2      CYS  14  -1.414  -1.941   0.553
  122   2HB   CYS  14           HB1      CYS  14  -1.461  -1.206  -1.049
  123    H    LEU  15           HN       LEU  15  -0.176  -4.246   1.021
  124    HA   LEU  15           HA       LEU  15   2.366  -3.023   0.518
  125   1HB   LEU  15           HB2      LEU  15   1.026  -3.539   2.732
  126   2HB   LEU  15           HB1      LEU  15   2.007  -4.992   2.711
  127    HG   LEU  15           HG       LEU  15   3.126  -2.198   2.577
  128   1HD1  LEU  15          2HD1      LEU  15   1.908  -2.524   4.687
  129   2HD1  LEU  15          1HD1      LEU  15   2.815  -4.007   4.984
  130   3HD1  LEU  15          3HD1      LEU  15   3.648  -2.454   4.961
  131   1HD2  LEU  15          1HD2      LEU  15   4.617  -3.911   1.736
  132   2HD2  LEU  15          3HD2      LEU  15   5.202  -3.264   3.267
  133   3HD2  LEU  15          2HD2      LEU  15   4.413  -4.842   3.222
  134    H    LYS  16           HN       LYS  16   1.000  -6.187   0.006
  135    HA   LYS  16           HA       LYS  16   3.343  -7.706  -0.066
  136   1HB   LYS  16           HB2      LYS  16   0.983  -8.583  -0.250
  137   2HB   LYS  16           HB1      LYS  16   0.985  -8.094  -1.922
  138   1HG   LYS  16           HG2      LYS  16   2.912 -10.076  -0.745
  139   2HG   LYS  16           HG1      LYS  16   1.406 -10.489  -1.555
  140   1HD   LYS  16           HD2      LYS  16   2.222  -9.430  -3.611
  141   2HD   LYS  16           HD1      LYS  16   3.747  -9.055  -2.800
  142   1HE   LYS  16           HE2      LYS  16   4.123 -11.450  -2.429
  143   2HE   LYS  16           HE1      LYS  16   2.616 -11.814  -3.266
  144   1HZ   LYS  16           HZ1      LYS  16   3.583 -10.708  -5.253
  145   2HZ   LYS  16           HZ3      LYS  16   5.065 -10.597  -4.430
  146   3HZ   LYS  16           HZ2      LYS  16   4.402 -12.115  -4.779
  147    HA   PRO  17           HA       PRO  17   4.176  -6.261  -4.532
  148   1HB   PRO  17           HB2      PRO  17   2.637  -4.445  -5.748
  149   2HB   PRO  17           HB1      PRO  17   2.187  -6.157  -5.723
  150   1HG   PRO  17           HG2      PRO  17   1.211  -3.930  -3.968
  151   2HG   PRO  17           HG1      PRO  17   0.270  -5.171  -4.818
  152   1HD   PRO  17           HD2      PRO  17   0.925  -5.376  -2.194
  153   2HD   PRO  17           HD1      PRO  17   0.747  -6.783  -3.258
  154    H    CYS  18           HN       CYS  18   3.074  -4.014  -2.086
  155    HA   CYS  18           HA       CYS  18   4.474  -1.763  -3.118
  156   1HB   CYS  18           HB2      CYS  18   2.864  -2.374  -0.742
  157   2HB   CYS  18           HB1      CYS  18   4.126  -1.186  -0.452
  158    H    LYS  19           HN       LYS  19   5.179  -3.900  -0.323
  159    HA   LYS  19           HA       LYS  19   7.724  -2.767   0.148
  160   1HB   LYS  19           HB2      LYS  19   6.484  -4.118   1.810
  161   2HB   LYS  19           HB1      LYS  19   6.773  -5.554   0.838
  162   1HG   LYS  19           HG2      LYS  19   9.147  -5.370   1.198
  163   2HG   LYS  19           HG1      LYS  19   8.927  -3.844   2.058
  164   1HD   LYS  19           HD2      LYS  19   7.735  -6.472   2.933
  165   2HD   LYS  19           HD1      LYS  19   9.254  -5.823   3.550
  166   1HE   LYS  19           HE2      LYS  19   8.125  -3.901   4.455
  167   2HE   LYS  19           HE1      LYS  19   6.609  -4.383   3.700
  168   1HZ   LYS  19           HZ3      LYS  19   8.010  -6.009   5.748
  169   2HZ   LYS  19           HZ2      LYS  19   6.775  -4.908   6.113
  170   3HZ   LYS  19           HZ1      LYS  19   6.451  -6.259   5.133
  171    H    ASP  20           HN       ASP  20   6.600  -5.367  -1.906
  172    HA   ASP  20           HA       ASP  20   9.057  -6.464  -2.668
  173   1HB   ASP  20           HB2      ASP  20   6.878  -7.477  -3.223
  174   2HB   ASP  20           HB1      ASP  20   6.549  -6.152  -4.338
  175    H    ALA  21           HN       ALA  21   7.289  -3.667  -3.883
  176    HA   ALA  21           HA       ALA  21   9.292  -3.123  -5.904
  177   1HB   ALA  21           HB3      ALA  21   6.916  -2.718  -6.360
  178   2HB   ALA  21           HB1      ALA  21   7.877  -1.249  -6.520
  179   3HB   ALA  21           HB2      ALA  21   6.886  -1.502  -5.084
  180    H    GLY  22           HN       GLY  22   9.256  -2.712  -2.676
  181   1HA   GLY  22           HA1      GLY  22  11.155  -0.496  -2.821
  182   2HA   GLY  22           HA2      GLY  22  10.911  -1.568  -1.443
  183    H    MET  23           HN       MET  23   8.308  -1.400  -0.937
  184    HA   MET  23           HA       MET  23   8.151   1.341   0.089
  185   1HB   MET  23           HB2      MET  23   5.766  -0.351  -0.679
  186   2HB   MET  23           HB1      MET  23   5.737   1.308  -0.091
  187   1HG   MET  23           HG2      MET  23   7.150   0.538  -2.600
  188   2HG   MET  23           HG1      MET  23   5.427   0.923  -2.590
  189   1HE   MET  23           HE3      MET  23   6.049   2.745  -4.476
  190   2HE   MET  23           HE2      MET  23   7.186   4.068  -4.216
  191   3HE   MET  23           HE1      MET  23   7.774   2.409  -4.330
  192    H    ARG  24           HN       ARG  24   8.922   0.922   2.023
  193    HA   ARG  24           HA       ARG  24   8.678  -1.378   3.541
  194   1HB   ARG  24           HB2      ARG  24  10.342  -0.045   4.298
  195   2HB   ARG  24           HB1      ARG  24   9.463   1.432   3.939
  196   1HG   ARG  24           HG2      ARG  24   8.113   1.077   5.972
  197   2HG   ARG  24           HG1      ARG  24   9.077  -0.363   6.331
  198   1HD   ARG  24           HD2      ARG  24  11.106   1.052   6.337
  199   2HD   ARG  24           HD1      ARG  24  10.084   2.470   6.101
  200    HE   ARG  24           HE       ARG  24   9.109   1.993   8.288
  201   1HH1  ARG  24          1HH1      ARG  24  12.163   0.501   7.467
  202   2HH1  ARG  24          2HH1      ARG  24  12.630   0.236   9.121
  203   1HH2  ARG  24          1HH2      ARG  24   9.748   1.700  10.484
  204   2HH2  ARG  24          2HH2      ARG  24  11.277   0.940  10.826
  205    H    PHE  25           HN       PHE  25   6.593   1.472   3.407
  206    HA   PHE  25           HA       PHE  25   4.747   0.114   5.250
  207   1HB   PHE  25           HB2      PHE  25   4.957   3.018   4.457
  208   2HB   PHE  25           HB1      PHE  25   3.595   2.365   5.360
  209    HD1  PHE  25           HD1      PHE  25   4.157   1.151   7.574
  210    HD2  PHE  25           HD2      PHE  25   6.821   3.796   5.570
  211    HE1  PHE  25           HE1      PHE  25   5.407   1.473   9.665
  212    HE2  PHE  25           HE2      PHE  25   8.070   4.125   7.660
  213    HZ   PHE  25           HZ       PHE  25   7.321   2.978   9.735
  214    H    GLY  26           HN       GLY  26   2.587  -0.117   4.715
  215   1HA   GLY  26           HA1      GLY  26   1.892  -1.009   2.235
  216   2HA   GLY  26           HA2      GLY  26   1.512   0.712   2.186
  217    H    LYS  27           HN       LYS  27   0.115   1.534   3.884
  218    HA   LYS  27           HA       LYS  27  -1.321  -0.505   5.424
  219   1HB   LYS  27           HB2      LYS  27  -1.103   2.470   5.935
  220   2HB   LYS  27           HB1      LYS  27  -1.807   1.272   7.016
  221   1HG   LYS  27           HG2      LYS  27   0.326   0.247   7.373
  222   2HG   LYS  27           HG1      LYS  27   1.072   1.262   6.142
  223   1HD   LYS  27           HD2      LYS  27   1.669   2.170   8.256
  224   2HD   LYS  27           HD1      LYS  27   0.467   3.248   7.546
  225   1HE   LYS  27           HE2      LYS  27  -1.262   2.338   8.947
  226   2HE   LYS  27           HE1      LYS  27  -0.168   1.095   9.557
  227   1HZ   LYS  27           HZ1      LYS  27   1.195   2.841  10.548
  228   2HZ   LYS  27           HZ3      LYS  27   0.117   4.024   9.989
  229   3HZ   LYS  27           HZ2      LYS  27  -0.393   2.893  11.143
  230    H    CYS  28           HN       CYS  28  -3.440  -0.754   5.281
  231    HA   CYS  28           HA       CYS  28  -4.830   0.492   3.099
  232   1HB   CYS  28           HB2      CYS  28  -5.258  -1.823   3.457
  233   2HB   CYS  28           HB1      CYS  28  -5.634  -1.565   5.157
  234    H    MET  29           HN       MET  29  -6.037   2.278   3.201
  235    HA   MET  29           HA       MET  29  -7.105   3.110   5.798
  236   1HB   MET  29           HB2      MET  29  -5.220   4.718   4.094
  237   2HB   MET  29           HB1      MET  29  -6.324   5.486   5.227
  238   1HG   MET  29           HG2      MET  29  -4.240   3.436   5.939
  239   2HG   MET  29           HG1      MET  29  -4.083   5.177   6.159
  240   1HE   MET  29           HE2      MET  29  -3.636   3.057   8.488
  241   2HE   MET  29           HE1      MET  29  -3.491   4.798   8.735
  242   3HE   MET  29           HE3      MET  29  -4.485   3.831   9.826
  243    H    ASN  30           HN       ASN  30  -9.189   3.035   5.340
  244    HA   ASN  30           HA       ASN  30 -11.210   3.782   4.648
  245   1HB   ASN  30           HB2      ASN  30  -9.674   6.077   3.419
  246   2HB   ASN  30           HB1      ASN  30 -11.399   6.047   3.771
  247   1HD2  ASN  30          1HD2      ASN  30 -12.092   6.229   5.897
  248   2HD2  ASN  30          2HD2      ASN  30 -11.048   6.770   7.165
  249    H    GLY  31           HN       GLY  31  -9.224   2.321   2.705
  250   1HA   GLY  31           HA1      GLY  31 -10.893   2.767   0.307
  251   2HA   GLY  31           HA2      GLY  31 -10.458   1.156   0.863
  252    H    LYS  32           HN       LYS  32  -8.253   3.880   0.909
  253    HA   LYS  32           HA       LYS  32  -6.949   2.925  -1.525
  254   1HB   LYS  32           HB2      LYS  32  -6.650   5.435   0.104
  255   2HB   LYS  32           HB1      LYS  32  -5.464   4.982  -1.115
  256   1HG   LYS  32           HG2      LYS  32  -6.848   6.411  -2.273
  257   2HG   LYS  32           HG1      LYS  32  -7.520   4.836  -2.691
  258   1HD   LYS  32           HD2      LYS  32  -9.256   5.114  -1.002
  259   2HD   LYS  32           HD1      LYS  32  -8.563   6.668  -0.528
  260   1HE   LYS  32           HE2      LYS  32  -8.925   7.417  -2.909
  261   2HE   LYS  32           HE1      LYS  32  -9.856   5.940  -3.146
  262   1HZ   LYS  32           HZ2      LYS  32 -11.344   6.649  -1.363
  263   2HZ   LYS  32           HZ1      LYS  32 -10.450   8.076  -1.169
  264   3HZ   LYS  32           HZ3      LYS  32 -11.294   7.797  -2.615
  265    H    CYS  33           HN       CYS  33  -4.678   2.636  -1.614
  266    HA   CYS  33           HA       CYS  33  -3.613   1.417   0.818
  267   1HB   CYS  33           HB2      CYS  33  -2.514   1.356  -1.994
  268   2HB   CYS  33           HB1      CYS  33  -2.004   0.351  -0.642
  269    H    HIS  34           HN       HIS  34  -2.500   2.742   2.082
  270    HA   HIS  34           HA       HIS  34  -1.006   4.977   0.935
  271   1HB   HIS  34           HB2      HIS  34  -1.836   4.227   3.726
  272   2HB   HIS  34           HB1      HIS  34  -0.623   5.473   3.446
  273    HD1  HIS  34           HD1      HIS  34  -1.582   7.747   3.399
  274    HD2  HIS  34           HD2      HIS  34  -4.328   4.882   2.158
  275    HE1  HIS  34           HE1      HIS  34  -3.710   9.005   2.930
  276    HE2  HIS  34           HE2      HIS  34  -5.402   7.234   2.319
  277    H    CYS  35           HN       CYS  35   0.819   4.100   0.044
  278    HA   CYS  35           HA       CYS  35   2.469   2.411   1.775
  279   1HB   CYS  35           HB2      CYS  35   2.463   2.768  -1.221
  280   2HB   CYS  35           HB1      CYS  35   3.727   1.898  -0.362
  281    H    THR  36           HN       THR  36   4.609   2.831   2.119
  282    HA   THR  36           HA       THR  36   5.635   5.458   1.268
  283    HB   THR  36           HB       THR  36   6.157   4.229   3.991
  284    HG1  THR  36           HG1      THR  36   3.935   5.466   3.110
  285   1HG2  THR  36          3HG2      THR  36   7.850   5.818   3.194
  286   2HG2  THR  36          2HG2      THR  36   6.593   7.024   2.924
  287   3HG2  THR  36          1HG2      THR  36   6.948   6.476   4.561
  288    HA   PRO  37           HA       PRO  37   8.760   2.946  -0.581
  289   1HB   PRO  37           HB2      PRO  37  10.537   5.251   0.075
  290   2HB   PRO  37           HB1      PRO  37  10.280   4.432  -1.468
  291   1HG   PRO  37           HG2      PRO  37   9.189   6.810  -1.013
  292   2HG   PRO  37           HG1      PRO  37   8.292   5.551  -1.886
  293   1HD   PRO  37           HD2      PRO  37   7.993   6.485   0.937
  294   2HD   PRO  37           HD1      PRO  37   6.748   5.965  -0.217
  295    H    LYS  38           HN       LYS  38  10.501   1.691  -0.077
  296    HA   LYS  38           HA       LYS  38  10.667   0.726   2.465
  297   1HB   LYS  38           HB2      LYS  38  11.435  -0.465   0.450
  298   2HB   LYS  38           HB1      LYS  38  12.846   0.582   0.376
  299   1HG   LYS  38           HG2      LYS  38  13.448  -1.535   1.342
  300   2HG   LYS  38           HG1      LYS  38  13.541  -0.281   2.584
  301   1HD   LYS  38           HD2      LYS  38  11.386  -0.936   3.458
  302   2HD   LYS  38           HD1      LYS  38  11.191  -2.111   2.158
  303   1HE   LYS  38           HE2      LYS  38  13.385  -2.189   4.226
  304   2HE   LYS  38           HE1      LYS  38  11.885  -3.107   4.329
  305   1HZ   LYS  38           HZ3      LYS  38  12.472  -4.221   2.262
  306   2HZ   LYS  38           HZ2      LYS  38  13.922  -3.349   2.178
  307   3HZ   LYS  38           HZ1      LYS  38  13.668  -4.453   3.442

  No H/Q in entry =         307