*HEADER    CYTOKINE                                16-MAR-01   1I8X              
*TITLE     SEMI-AUTOMATIC STRUCTURE DETERMINATION OF THE CG1 1-30                
*TITLE    2 PEPTIDE BASED ON ARIA                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GRANULIN-1;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINUS (RESIDUES 1-30);                                
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED BY             
*SOURCE   4 SOLID PHASE SYNTHESIS. THE SEQUENCE OF THE PEPTIDE IS                
*SOURCE   5 NATURALLY FOUND IN CYPRINUS CARPIO (CARP).                           
*KEYWDS    TWO BETA-HAIRPIN STACK                                                
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    W.F.VRANKEN, S.JAMES, H.P.J.BENNETT, F.NI                             
*REVDAT   1   17-APR-02 1I8X    0                                                
 ASSI { 1476}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      6.000     5.300     0.000 peak  1476 weight  0.10000E+01 volume  0.10803E-04 ppm1      9.255 ppm2      0.958 CV     1
 OR { 1476}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI { 1493}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      4.000     2.000     2.000 peak  1493 weight  0.10000E+01 volume  0.40078E-03 ppm1      9.706 ppm2      8.557 CV     1
 OR { 1493}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1507}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.800     1.000     1.000 peak  1507 weight  0.10000E+01 volume  0.16312E-02 ppm1      8.821 ppm2      5.144 CV     1
 OR { 1507}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI { 1512}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      6.000     5.300     0.000 peak  1512 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.674 ppm2      5.139 CV     1
 OR { 1512}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI { 1548}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      6.000     5.300     0.000 peak  1548 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.870 ppm2      0.060 CV     1
 OR { 1548}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI { 1549}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      6.000     5.300     0.000 peak  1549 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.871 ppm2      0.709 CV     1
 OR { 1549}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
 ASSI { 1552}
   (( segid "    " and resid 24   and name HE3 ))
   (  segid "    " and resid 8    and name HG2%)
      6.000     5.300     0.000 peak  1552 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.312 ppm2      0.938 CV     1
 OR { 1552}
   (( segid "    " and resid 24   and name HE3 ))
   (  segid "    " and resid 15   and name HG2%)
 OR { 1552}
   (( segid "    " and resid 24   and name HE3 ))
   (  segid "    " and resid 2    and name HD1%)
 ASSI { 1556}
   (  segid "    " and resid 25   and name HD% )
   (  segid "    " and resid 23   and name HG1%)
      3.000     1.100     1.100 peak  1556 weight  0.10000E+01 volume  0.12423E-02 ppm1      6.995 ppm2      0.860 CV     1
 OR { 1556}
   (  segid "    " and resid 21   and name HD% )
   (  segid "    " and resid 23   and name HG1%)
 ASSI { 1560}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      3.100     1.200     1.200 peak  1560 weight  0.10000E+01 volume  0.87287E-03 ppm1      7.244 ppm2      1.782 CV     1
 OR { 1560}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
 OR { 1560}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 1564}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.300     1.300     1.300 peak  1564 weight  0.10000E+01 volume  0.71191E-03 ppm1      7.734 ppm2      3.010 CV     1
 OR { 1564}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
 OR { 1564}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 1567}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     5.300     0.000 peak  1567 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.874 ppm2      4.184 CV     1
 OR { 1567}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 1568}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.000     3.000     3.000 peak  1568 weight  0.10000E+01 volume  0.11019E-02 ppm1      7.753 ppm2      4.129 CV     1
 OR { 1568}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 1569}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.500     1.500 peak  1569 weight  0.10000E+01 volume  0.53258E-03 ppm1      7.587 ppm2      4.302 CV     1
 OR { 1569}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI { 1577}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 24   and name HA  ))
      6.000     5.300     0.000 peak  1577 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.002 ppm2      5.152 CV     1
 OR { 1577}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 1585}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 24   and name HH2 ))
      6.000     6.000     0.000 peak  1585 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.311 ppm2      7.063 CV     1
 OR { 1585}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 1604}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 17   and name HB1 ))
      3.300     1.300     1.300 peak  1604 weight  0.10000E+01 volume  0.70866E-03 ppm1      6.447 ppm2      3.283 CV     1
 OR { 1604}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 22   and name HA1 ))
 ASSI { 1605}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 25   and name HB2 ))
      3.100     1.200     1.200 peak  1605 weight  0.10000E+01 volume  0.97334E-03 ppm1      6.445 ppm2      2.935 CV     1
 OR { 1605}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 25   and name HB1 ))
 OR { 1605}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 24   and name HB1 ))
 OR { 1605}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 24   and name HB2 ))
 OR { 1605}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 1609}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 23   and name HB  ))
      3.400     1.400     1.400 peak  1609 weight  0.10000E+01 volume  0.55419E-03 ppm1      6.445 ppm2      1.813 CV     1
 OR { 1609}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 20   and name HG1 ))
 OR { 1609}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 28   and name HG2 ))
 OR { 1609}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 1612}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 1    and name HG1%)
      5.900     4.400     0.100 peak  1612 weight  0.10000E+01 volume  0.10803E-04 ppm1      4.322 ppm2      0.766 CV     1
 OR { 1612}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI { 1614}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 23   and name HB  ))
      5.900     4.400     0.100 peak  1614 weight  0.10000E+01 volume  0.10803E-04 ppm1      4.017 ppm2      1.803 CV     1
 OR { 1614}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 1629}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.800     1.800     1.800 peak  1629 weight  0.10000E+01 volume  0.29168E-03 ppm1      4.173 ppm2      8.024 CV     1
 OR { 1629}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 1636}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak  1636 weight  0.10000E+01 volume  0.73459E-03 ppm1      3.768 ppm2      8.438 CV     1
 OR { 1636}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 3    and name HE1 ))
 OR { 1636}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI { 1644}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 25   and name HE% )
      3.500     1.500     1.500 peak  1644 weight  0.10000E+01 volume  0.46776E-03 ppm1      3.696 ppm2      6.443 CV     1
 OR { 1644}
   (( segid "    " and resid 28   and name HD2 ))
   (  segid "    " and resid 25   and name HE% )
 ASSI { 1664}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 6    and name HB% )
      5.900     4.400     0.100 peak  1664 weight  0.10000E+01 volume  0.10803E-04 ppm1      3.027 ppm2      1.272 CV     1
 OR { 1664}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 2    and name HG11))
 ASSI { 1666}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
      5.900     4.400     0.100 peak  1666 weight  0.10000E+01 volume  0.10803E-04 ppm1      2.998 ppm2      1.804 CV     1
 OR { 1666}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 1666}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI { 1670}
   (( segid "    " and resid 22   and name HA2 ))
   (  segid "    " and resid 23   and name HG1%)
      5.900     4.400     0.100 peak  1670 weight  0.10000E+01 volume  0.10803E-04 ppm1      3.913 ppm2      0.863 CV     1
 OR { 1670}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI { 1671}
   (( segid "    " and resid 13   and name HA2 ))
   (  segid "    " and resid 14   and name HG2%)
      5.900     4.400     0.100 peak  1671 weight  0.10000E+01 volume  0.10803E-04 ppm1      3.458 ppm2      0.759 CV     1
 OR { 1671}
   (( segid "    " and resid 13   and name HA2 ))
   (  segid "    " and resid 1    and name HG1%)
 ASSI { 1673}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 2    and name HG2%)
      5.900     4.400     0.100 peak  1673 weight  0.10000E+01 volume  0.10803E-04 ppm1      2.913 ppm2      0.727 CV     1
 OR { 1673}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 23   and name HG2%)
 OR { 1673}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 23   and name HG2%)
 OR { 1673}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 2    and name HG2%)
 ASSI { 1683}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 11   and name HA  ))
      5.900     4.400     0.100 peak  1683 weight  0.10000E+01 volume  0.10803E-04 ppm1      1.949 ppm2      4.305 CV     1
 OR { 1683}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
 OR { 1683}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
 OR { 1683}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 1692}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     5.300     0.000 peak  1692 weight  0.10000E+01 volume  0.10803E-04 ppm1      1.527 ppm2      8.579 CV     1
 OR { 1692}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1700}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      5.900     4.400     0.100 peak  1700 weight  0.10000E+01 volume  0.10803E-04 ppm1      1.081 ppm2      4.694 CV     1
 OR { 1700}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
 OR { 1700}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
 OR { 1700}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 1706}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 19   and name HB2 ))
      5.900     4.400     0.100 peak  1706 weight  0.10000E+01 volume  0.10803E-04 ppm1      1.805 ppm2      4.015 CV     1
 OR { 1706}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
 OR { 1706}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI { 1712}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 22   and name HA1 ))
      5.900     4.400     0.100 peak  1712 weight  0.10000E+01 volume  0.10803E-04 ppm1      1.078 ppm2      3.287 CV     1
 OR { 1712}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 17   and name HB1 ))
 OR { 1712}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 17   and name HB1 ))
 OR { 1712}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 22   and name HA1 ))
 ASSI { 1740}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.400     1.500     1.500 peak  1740 weight  0.10000E+01 volume  0.54014E-03 ppm1      9.142 ppm2      4.745 CV     1
 OR { 1740}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 1743}
   (( segid "    " and resid 3    and name HE1 ))
   (  segid "    " and resid 9    and name HD1%)
      2.600     0.800     0.800 peak  1743 weight  0.10000E+01 volume  0.27440E-02 ppm1      8.505 ppm2      0.600 CV     1
 OR { 1743}
   (( segid "    " and resid 3    and name HE1 ))
   (  segid "    " and resid 1    and name HG2%)
 ASSI { 1748}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     5.300     0.000 peak  1748 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.059 ppm2      4.016 CV     1
 OR { 1748}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 OR { 1748}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 1749}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     5.300     0.000 peak  1749 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.197 ppm2      4.101 CV     1
 OR { 1749}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 1751}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 24   and name HB1 ))
      2.100     0.600     0.600 peak  1751 weight  0.10000E+01 volume  0.86423E-02 ppm1      7.306 ppm2      2.960 CV     1
 OR { 1751}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 16   and name HB1 ))
 OR { 1751}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 1752}
   (( segid "    " and resid 24   and name HH2 ))
   (  segid "    " and resid 18   and name HD1%)
      2.800     1.000     1.000 peak  1752 weight  0.10000E+01 volume  0.16637E-02 ppm1      7.065 ppm2      0.056 CV     1
 OR { 1752}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI { 1754}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 18   and name HD2%)
      2.800     1.000     1.000 peak  1754 weight  0.10000E+01 volume  0.15880E-02 ppm1      7.866 ppm2     -0.439 CV     1
 OR { 1754}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 18   and name HD2%)
 ASSI { 1755}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 18   and name HD2%)
      2.500     0.800     0.800 peak  1755 weight  0.10000E+01 volume  0.32193E-02 ppm1      7.065 ppm2     -0.439 CV     1
 OR { 1755}
   (( segid "    " and resid 24   and name HH2 ))
   (  segid "    " and resid 18   and name HD2%)
 ASSI { 1758}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 20   and name HD1 ))
      3.100     1.200     1.200 peak  1758 weight  0.10000E+01 volume  0.91284E-03 ppm1      6.440 ppm2      3.859 CV     1
 OR { 1758}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 28   and name HD1 ))
 ASSI { 1760}
   (( segid "    " and resid 11   and name HD2 ))
   (  segid "    " and resid 14   and name HG2%)
      5.900     4.400     0.100 peak  1760 weight  0.10000E+01 volume  0.10803E-04 ppm1      3.625 ppm2      0.764 CV     1
 OR { 1760}
   (( segid "    " and resid 11   and name HD2 ))
   (  segid "    " and resid 1    and name HG1%)
 ASSI { 1761}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 18   and name HG  ))
      5.900     4.400     0.100 peak  1761 weight  0.10000E+01 volume  0.10803E-04 ppm1      3.284 ppm2      0.777 CV     1
 OR { 1761}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HG  ))
 OR { 1761}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI { 1764}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 14   and name HG2%)
      2.200     2.200     3.800 peak  1764 weight  0.10000E+01 volume  0.40078E-02 ppm1      2.177 ppm2      0.762 CV     1
 OR { 1764}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 14   and name HG2%)
 OR { 1764}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 1    and name HG1%)
 ASSI { 1765}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 28   and name HG2 ))
      1.700     1.700     4.300 peak  1765 weight  0.10000E+01 volume  0.16529E-01 ppm1      0.766 ppm2      1.806 CV     1
 OR { 1765}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 11   and name HB1 ))
 OR { 1765}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 11   and name HG1 ))
 OR { 1765}
   (  segid "    " and resid 1    and name HG1%)
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1768}
   (( segid "    " and resid 24   and name HE1 ))
   (( segid "    " and resid 24   and name HH2 ))
      6.000     6.000     0.000 peak  1768 weight  0.10000E+01 volume  0.10803E-04 ppm1      9.936 ppm2      7.068 CV     1
 OR { 1768}
   (( segid "    " and resid 24   and name HE1 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 1772}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 1    and name HG2%)
      3.800     1.800     1.800 peak  1772 weight  0.10000E+01 volume  0.29492E-03 ppm1      8.581 ppm2      0.605 CV     1
 OR { 1772}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 9    and name HD1%)
 OR { 1772}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 9    and name HD1%)
 OR { 1772}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 1    and name HG2%)
 ASSI { 1775}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      6.000     5.300     0.000 peak  1775 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.824 ppm2      2.955 CV     1
 OR { 1775}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
 OR { 1775}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
 OR { 1775}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
 OR { 1775}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
 OR { 1775}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 OR { 1775}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
 OR { 1775}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 1777}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
      6.000     5.300     0.000 peak  1777 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.582 ppm2      3.628 CV     1
 OR { 1777}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
 OR { 1777}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 1778}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
      6.000     5.300     0.000 peak  1778 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.900 ppm2      3.625 CV     1
 OR { 1778}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 1781}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 29   and name HE% )
      6.000     6.000     0.000 peak  1781 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.896 ppm2      7.167 CV     1
 OR { 1781}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 3    and name HD2 ))
 ASSI { 1786}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 29   and name HN  ))
      6.000     6.000     0.000 peak  1786 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.167 ppm2      8.014 CV     1
 OR { 1786}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1792}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 28   and name HA  ))
      3.400     1.400     1.400 peak  1792 weight  0.10000E+01 volume  0.56499E-03 ppm1      7.174 ppm2      4.520 CV     1
 OR { 1792}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 9    and name HA  ))
 OR { 1792}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 29   and name HA  ))
 ASSI { 1794}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      6.000     5.300     0.000 peak  1794 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.873 ppm2      1.106 CV     1
 OR { 1794}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
 OR { 1794}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
 OR { 1794}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 1806}
   (( segid "    " and resid 24   and name HE1 ))
   (( segid "    " and resid 5    and name HB2 ))
      3.300     1.400     1.400 peak  1806 weight  0.10000E+01 volume  0.61036E-03 ppm1      9.921 ppm2      2.990 CV     1
 OR { 1806}
   (( segid "    " and resid 24   and name HE1 ))
   (( segid "    " and resid 24   and name HB2 ))
 OR { 1806}
   (( segid "    " and resid 24   and name HE1 ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI { 1807}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.500     0.800     0.800 peak  1807 weight  0.10000E+01 volume  0.36730E-02 ppm1      9.713 ppm2      2.945 CV     1
 OR { 1807}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
 OR { 1807}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
 OR { 1807}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 OR { 1807}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 1814}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 9    and name HG2%)
      2.700     0.900     0.900 peak  1814 weight  0.10000E+01 volume  0.24307E-02 ppm1      8.819 ppm2      0.394 CV     1
 OR { 1814}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 9    and name HG2%)
 ASSI { 1818}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      2.500     0.800     0.800 peak  1818 weight  0.10000E+01 volume  0.32517E-02 ppm1      8.976 ppm2      0.727 CV     1
 OR { 1818}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 1    and name HG1%)
 ASSI { 1822}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HG11))
      3.500     1.500     1.500 peak  1822 weight  0.10000E+01 volume  0.46992E-03 ppm1      8.975 ppm2      1.283 CV     1
 OR { 1822}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HG12))
 OR { 1822}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 6    and name HB% )
 OR { 1822}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 7    and name HB% )
 ASSI { 1823}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HD1%)
      3.400     1.400     1.400 peak  1823 weight  0.10000E+01 volume  0.56607E-03 ppm1      8.977 ppm2      0.919 CV     1
 OR { 1823}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI { 1824}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      3.000     1.100     1.100 peak  1824 weight  0.10000E+01 volume  0.11884E-02 ppm1      8.895 ppm2      0.744 CV     1
 OR { 1824}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 1    and name HG1%)
 OR { 1824}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
 ASSI { 1826}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 1    and name HG1%)
      2.800     1.000     1.000 peak  1826 weight  0.10000E+01 volume  0.17176E-02 ppm1      8.822 ppm2      0.733 CV     1
 OR { 1826}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
 OR { 1826}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 1    and name HG1%)
 OR { 1826}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
 OR { 1826}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI { 1829}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HG11))
      3.600     1.600     1.600 peak  1829 weight  0.10000E+01 volume  0.38566E-03 ppm1      8.818 ppm2      1.194 CV     1
 OR { 1829}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HG12))
 OR { 1829}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 9    and name HG12))
 OR { 1829}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 9    and name HG11))
 ASSI { 1830}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB  ))
      2.900     1.000     1.000 peak  1830 weight  0.10000E+01 volume  0.15556E-02 ppm1      8.821 ppm2      1.404 CV     1
 OR { 1830}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 9    and name HB  ))
 ASSI { 1832}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      2.700     0.900     0.900 peak  1832 weight  0.10000E+01 volume  0.20850E-02 ppm1      8.676 ppm2      0.753 CV     1
 OR { 1832}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
 ASSI { 1834}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 1    and name HG1%)
      2.900     1.000     1.000 peak  1834 weight  0.10000E+01 volume  0.14800E-02 ppm1      8.579 ppm2      0.766 CV     1
 OR { 1834}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
 OR { 1834}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
 OR { 1834}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
 OR { 1834}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
 ASSI { 1837}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      2.500     0.800     0.800 peak  1837 weight  0.10000E+01 volume  0.33921E-02 ppm1      8.425 ppm2      0.933 CV     1
 OR { 1837}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 2    and name HD1%)
 ASSI { 1838}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 9    and name HD1%)
      2.900     1.000     1.000 peak  1838 weight  0.10000E+01 volume  0.15341E-02 ppm1      8.426 ppm2      0.595 CV     1
 OR { 1838}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 1    and name HG2%)
 ASSI { 1840}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 2    and name HD1%)
      3.600     1.600     1.600 peak  1840 weight  0.10000E+01 volume  0.41375E-03 ppm1      8.580 ppm2      0.927 CV     1
 OR { 1840}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
 OR { 1840}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 2    and name HD1%)
 ASSI { 1844}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.600     2.600     3.400 peak  1844 weight  0.10000E+01 volume  0.28196E-02 ppm1      8.584 ppm2      1.806 CV     1
 OR { 1844}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
 OR { 1844}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
 OR { 1844}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
 OR { 1844}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1848}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 1    and name HB  ))
      6.000     5.300     0.000 peak  1848 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.581 ppm2      1.932 CV     1
 OR { 1848}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 1848}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 1851}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.100     1.200     1.200 peak  1851 weight  0.10000E+01 volume  0.93768E-03 ppm1      9.150 ppm2      2.987 CV     1
 OR { 1851}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI { 1854}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.700     0.900     0.900 peak  1854 weight  0.10000E+01 volume  0.20201E-02 ppm1      9.254 ppm2      2.929 CV     1
 OR { 1854}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
 OR { 1854}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
 OR { 1854}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
 OR { 1854}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
 OR { 1854}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 1856}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.700     1.700     1.700 peak  1856 weight  0.10000E+01 volume  0.34677E-03 ppm1      8.676 ppm2      2.984 CV     1
 OR { 1856}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI { 1859}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.000     2.000     4.000 peak  1859 weight  0.10000E+01 volume  0.11991E-01 ppm1      8.582 ppm2      2.956 CV     1
 OR { 1859}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
 OR { 1859}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
 OR { 1859}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI { 1862}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.400     0.700     0.700 peak  1862 weight  0.10000E+01 volume  0.39322E-02 ppm1      9.149 ppm2      3.596 CV     1
 OR { 1862}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 1863}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
      2.300     0.600     0.600 peak  1863 weight  0.10000E+01 volume  0.61792E-02 ppm1      9.142 ppm2      3.692 CV     1
 OR { 1863}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 OR { 1863}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HD2 ))
 ASSI { 1865}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.100     0.600     0.600 peak  1865 weight  0.10000E+01 volume  0.98198E-02 ppm1      9.098 ppm2      4.019 CV     1
 OR { 1865}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI { 1870}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.500     2.500     3.500 peak  1870 weight  0.10000E+01 volume  0.36297E-02 ppm1      8.819 ppm2      3.557 CV     1
 OR { 1870}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
 OR { 1870}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
 OR { 1870}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
 OR { 1870}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
 ASSI { 1871}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      2.200     0.600     0.600 peak  1871 weight  0.10000E+01 volume  0.78645E-02 ppm1      8.784 ppm2      3.754 CV     1
 OR { 1871}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
 OR { 1871}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 1874}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
      2.200     0.600     0.600 peak  1874 weight  0.10000E+01 volume  0.82426E-02 ppm1      8.672 ppm2      3.677 CV     1
 OR { 1874}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 1875}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      2.700     0.900     0.900 peak  1875 weight  0.10000E+01 volume  0.20741E-02 ppm1      8.579 ppm2      3.749 CV     1
 OR { 1875}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 11   and name HD1 ))
 OR { 1875}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 1877}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.600     0.800     0.800 peak  1877 weight  0.10000E+01 volume  0.30032E-02 ppm1      8.811 ppm2      4.276 CV     1
 OR { 1877}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
 OR { 1877}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
 OR { 1877}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
 OR { 1877}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI { 1878}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.200     0.600     0.600 peak  1878 weight  0.10000E+01 volume  0.78321E-02 ppm1      8.822 ppm2      4.516 CV     1
 OR { 1878}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1882}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.000     0.500     0.500 peak  1882 weight  0.10000E+01 volume  0.14368E-01 ppm1      8.579 ppm2      4.317 CV     1
 OR { 1882}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 1883}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.600     0.800     0.800 peak  1883 weight  0.10000E+01 volume  0.27979E-02 ppm1      8.675 ppm2      4.451 CV     1
 OR { 1883}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI { 1885}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.000     0.500     0.500 peak  1885 weight  0.10000E+01 volume  0.13828E-01 ppm1      9.251 ppm2      4.723 CV     1
 OR { 1885}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 1888}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.900     1.000     1.000 peak  1888 weight  0.10000E+01 volume  0.14800E-02 ppm1      9.254 ppm2      5.149 CV     1
 OR { 1888}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI { 1890}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.800     2.800     3.200 peak  1890 weight  0.10000E+01 volume  0.17069E-02 ppm1      8.822 ppm2      4.680 CV     1
 OR { 1890}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
 OR { 1890}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
 OR { 1890}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 1892}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak  1892 weight  0.10000E+01 volume  0.23010E-02 ppm1      8.581 ppm2      5.152 CV     1
 OR { 1892}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
 OR { 1892}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
 OR { 1892}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI { 1897}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.800     1.000     1.000 peak  1897 weight  0.10000E+01 volume  0.29600E-02 ppm1      9.103 ppm2      7.027 CV     1
 OR { 1897}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 25   and name HD% )
 OR { 1897}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 21   and name HD% )
 ASSI { 1902}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.600     1.700     1.700 peak  1902 weight  0.10000E+01 volume  0.65357E-03 ppm1      8.538 ppm2      7.057 CV     1
 OR { 1902}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HH2 ))
 ASSI { 1905}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     6.000     0.000 peak  1905 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.821 ppm2      8.417 CV     1
 OR { 1905}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
 OR { 1905}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
 OR { 1905}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI { 1908}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     6.000     0.000 peak  1908 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.979 ppm2      8.795 CV     1
 OR { 1908}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1917}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     6.000     0.000 peak  1917 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.584 ppm2      8.794 CV     1
 OR { 1917}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
 OR { 1917}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
 OR { 1917}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
 ASSI { 1924}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.100     1.200     1.200 peak  1924 weight  0.10000E+01 volume  0.17933E-02 ppm1      8.273 ppm2      7.737 CV     1
 OR { 1924}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 1926}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      4.200     2.200     1.800 peak  1926 weight  0.10000E+01 volume  0.27008E-03 ppm1      7.762 ppm2      8.413 CV     1
 OR { 1926}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI { 1929}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 29   and name HD% )
      3.400     1.500     1.500 peak  1929 weight  0.10000E+01 volume  0.95390E-03 ppm1      8.011 ppm2      7.079 CV     1
 OR { 1929}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 29   and name HD% )
 ASSI { 1930}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.800     0.800 peak  1930 weight  0.10000E+01 volume  0.50665E-02 ppm1      7.868 ppm2      7.031 CV     1
 OR { 1930}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HD% )
 OR { 1930}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 24   and name HH2 ))
 ASSI { 1932}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.800     1.000     1.000 peak  1932 weight  0.10000E+01 volume  0.19230E-02 ppm1      7.871 ppm2      4.525 CV     1
 OR { 1932}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1933}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.100     0.600     0.600 peak  1933 weight  0.10000E+01 volume  0.94417E-02 ppm1      7.998 ppm2      4.484 CV     1
 OR { 1933}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
 ASSI { 1938}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      3.300     1.400     1.400 peak  1938 weight  0.10000E+01 volume  0.63953E-03 ppm1      8.439 ppm2      3.767 CV     1
 OR { 1938}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
 ASSI { 1942}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
      3.100     1.200     1.200 peak  1942 weight  0.10000E+01 volume  0.87935E-03 ppm1      7.994 ppm2      3.690 CV     1
 OR { 1942}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HD2 ))
 OR { 1942}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 OR { 1942}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 OR { 1942}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 1943}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA2 ))
      2.300     0.700     0.700 peak  1943 weight  0.10000E+01 volume  0.50882E-02 ppm1      7.870 ppm2      3.913 CV     1
 OR { 1943}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
 OR { 1943}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HD1 ))
 ASSI { 1948}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HD2 ))
      6.000     5.300     0.000 peak  1948 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.867 ppm2      3.529 CV     1
 OR { 1948}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI { 1949}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.400     1.400     1.400 peak  1949 weight  0.10000E+01 volume  0.58120E-03 ppm1      8.352 ppm2      3.281 CV     1
 OR { 1949}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 22   and name HA1 ))
 ASSI { 1950}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA1 ))
      2.100     0.600     0.600 peak  1950 weight  0.10000E+01 volume  0.86639E-02 ppm1      7.867 ppm2      3.286 CV     1
 OR { 1950}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
 ASSI { 1951}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.200     0.600     0.600 peak  1951 weight  0.10000E+01 volume  0.70111E-02 ppm1      8.008 ppm2      2.913 CV     1
 OR { 1951}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
 OR { 1951}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
 OR { 1951}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
 ASSI { 1952}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.600     2.600     3.400 peak  1952 weight  0.10000E+01 volume  0.25495E-02 ppm1      8.275 ppm2      2.801 CV     1
 OR { 1952}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI { 1953}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
      2.300     0.700     0.700 peak  1953 weight  0.10000E+01 volume  0.58552E-02 ppm1      8.275 ppm2      3.017 CV     1
 OR { 1953}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
 OR { 1953}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
 ASSI { 1956}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.700     0.900     0.900 peak  1956 weight  0.10000E+01 volume  0.24307E-02 ppm1      8.011 ppm2      1.845 CV     1
 OR { 1956}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HG1 ))
 OR { 1956}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
 OR { 1956}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
 OR { 1956}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
 OR { 1956}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HG1 ))
 OR { 1956}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1957}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      2.300     0.600     0.600 peak  1957 weight  0.10000E+01 volume  0.63953E-02 ppm1      8.269 ppm2      1.270 CV     1
 OR { 1957}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 7    and name HB% )
 ASSI { 1958}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HB% )
      2.000     0.500     0.500 peak  1958 weight  0.10000E+01 volume  0.11991E-01 ppm1      7.734 ppm2      1.284 CV     1
 OR { 1958}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HB% )
 ASSI { 1959}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HB% )
      2.600     0.900     0.900 peak  1959 weight  0.10000E+01 volume  0.25818E-02 ppm1      7.787 ppm2      1.299 CV     1
 OR { 1959}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 6    and name HB% )
 ASSI { 1961}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      6.000     5.300     0.000 peak  1961 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.734 ppm2      0.924 CV     1
 OR { 1961}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 2    and name HD1%)
 ASSI { 1963}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      3.300     1.300     1.300 peak  1963 weight  0.10000E+01 volume  0.67194E-03 ppm1      7.996 ppm2      0.754 CV     1
 OR { 1963}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
 ASSI { 1974}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.000     1.100     1.100 peak  1974 weight  0.10000E+01 volume  0.10911E-02 ppm1      7.240 ppm2      1.125 CV     1
 OR { 1974}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI { 1975}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      2.300     0.700     0.700 peak  1975 weight  0.10000E+01 volume  0.53366E-02 ppm1      7.059 ppm2      0.716 CV     1
 OR { 1975}
   (  segid "    " and resid 29   and name HD% )
   (  segid "    " and resid 14   and name HG2%)
 ASSI { 1978}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 18   and name HB2 ))
      3.400     1.500     1.500 peak  1978 weight  0.10000E+01 volume  0.52178E-03 ppm1      7.065 ppm2      1.074 CV     1
 OR { 1978}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
 OR { 1978}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 18   and name HB1 ))
 OR { 1978}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 1979}
   (  segid "    " and resid 29   and name HE% )
   (  segid "    " and resid 14   and name HG2%)
      3.300     1.300     1.300 peak  1979 weight  0.10000E+01 volume  0.70434E-03 ppm1      7.163 ppm2      0.744 CV     1
 OR { 1979}
   (  segid "    " and resid 29   and name HE% )
   (  segid "    " and resid 2    and name HG2%)
 OR { 1979}
   (( segid "    " and resid 3    and name HD2 ))
   (  segid "    " and resid 1    and name HG1%)
 OR { 1979}
   (( segid "    " and resid 3    and name HD2 ))
   (  segid "    " and resid 2    and name HG2%)
 OR { 1979}
   (  segid "    " and resid 29   and name HE% )
   (  segid "    " and resid 1    and name HG1%)
 ASSI { 1980}
   (( segid "    " and resid 3    and name HD2 ))
   (  segid "    " and resid 1    and name HG2%)
      3.200     1.300     1.300 peak  1980 weight  0.10000E+01 volume  0.81454E-03 ppm1      7.166 ppm2      0.603 CV     1
 OR { 1980}
   (( segid "    " and resid 3    and name HD2 ))
   (  segid "    " and resid 9    and name HD1%)
 ASSI { 1985}
   (  segid "    " and resid 25   and name HE% )
   (  segid "    " and resid 23   and name HG2%)
      3.600     3.600     2.400 peak  1985 weight  0.10000E+01 volume  0.41483E-03 ppm1      6.441 ppm2      0.739 CV     1
 OR { 1985}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 18   and name HG  ))
 OR { 1985}
   (  segid "    " and resid 25   and name HE% )
   (  segid "    " and resid 14   and name HG2%)
 OR { 1985}
   (  segid "    " and resid 25   and name HE% )
   (  segid "    " and resid 2    and name HG2%)
 ASSI { 1994}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 23   and name HB  ))
      2.800     1.000     1.000 peak  1994 weight  0.10000E+01 volume  0.16637E-02 ppm1      6.991 ppm2      1.792 CV     1
 OR { 1994}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 23   and name HB  ))
 OR { 1994}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 20   and name HG2 ))
 OR { 1994}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 1998}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 20   and name HG2 ))
      3.200     1.300     1.300 peak  1998 weight  0.10000E+01 volume  0.76268E-03 ppm1      6.721 ppm2      1.788 CV     1
 OR { 1998}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 23   and name HB  ))
 OR { 1998}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 2002}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 1    and name HB  ))
      6.000     5.300     0.000 peak  2002 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.157 ppm2      1.946 CV     1
 OR { 2002}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 2002}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 2004}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.300     2.300     3.700 peak  2004 weight  0.10000E+01 volume  0.56175E-02 ppm1      7.310 ppm2      2.797 CV     1
 OR { 2004}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 5    and name HB1 ))
 OR { 2004}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR { 2004}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 2005}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      2.600     2.600     3.400 peak  2005 weight  0.10000E+01 volume  0.27979E-02 ppm1      7.242 ppm2      3.284 CV     1
 OR { 2005}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HA1 ))
 ASSI { 2007}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 13   and name HA2 ))
      3.100     1.200     1.200 peak  2007 weight  0.10000E+01 volume  0.88908E-03 ppm1      7.179 ppm2      3.454 CV     1
 OR { 2007}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 8    and name HB  ))
 ASSI { 2009}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 21   and name HB1 ))
      2.300     0.700     0.700 peak  2009 weight  0.10000E+01 volume  0.50882E-02 ppm1      6.979 ppm2      3.277 CV     1
 OR { 2009}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 2010}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 20   and name HD2 ))
      3.100     1.200     1.200 peak  2010 weight  0.10000E+01 volume  0.92904E-03 ppm1      6.984 ppm2      3.525 CV     1
 OR { 2010}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 20   and name HD2 ))
 OR { 2010}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 10   and name HB1 ))
 ASSI { 2012}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 21   and name HB1 ))
      3.600     1.600     1.600 peak  2012 weight  0.10000E+01 volume  0.40727E-03 ppm1      6.718 ppm2      3.276 CV     1
 OR { 2012}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 22   and name HA1 ))
 OR { 2012}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 2013}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 20   and name HD2 ))
      3.600     1.600     1.600 peak  2013 weight  0.10000E+01 volume  0.40619E-03 ppm1      6.444 ppm2      3.522 CV     1
 OR { 2013}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 10   and name HB1 ))
 ASSI { 2014}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 29   and name HB1 ))
      2.200     0.600     0.600 peak  2014 weight  0.10000E+01 volume  0.67194E-02 ppm1      7.076 ppm2      2.912 CV     1
 OR { 2014}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 29   and name HB2 ))
 OR { 2014}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 2015}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 3    and name HB2 ))
      2.500     0.800     0.800 peak  2015 weight  0.10000E+01 volume  0.32949E-02 ppm1      7.163 ppm2      2.937 CV     1
 OR { 2015}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 3    and name HB1 ))
 OR { 2015}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 29   and name HB1 ))
 OR { 2015}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 2016}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 24   and name HB2 ))
      2.300     0.600     0.600 peak  2016 weight  0.10000E+01 volume  0.63737E-02 ppm1      7.202 ppm2      2.965 CV     1
 OR { 2016}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 24   and name HB1 ))
 OR { 2016}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI { 2019}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 17   and name HB1 ))
      6.000     5.300     0.000 peak  2019 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.307 ppm2      3.277 CV     1
 OR { 2019}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 22   and name HA1 ))
 ASSI { 2022}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 27   and name HB2 ))
      3.000     1.100     1.100 peak  2022 weight  0.10000E+01 volume  0.11451E-02 ppm1      6.443 ppm2      3.705 CV     1
 OR { 2022}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 28   and name HD2 ))
 OR { 2022}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 14   and name HB  ))
 ASSI { 2023}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 19   and name HB2 ))
      2.700     0.900     0.900 peak  2023 weight  0.10000E+01 volume  0.20418E-02 ppm1      6.443 ppm2      4.013 CV     1
 OR { 2023}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 2029}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 29   and name HA  ))
      2.500     2.500     3.500 peak  2029 weight  0.10000E+01 volume  0.32949E-02 ppm1      7.081 ppm2      4.505 CV     1
 OR { 2029}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 28   and name HA  ))
 OR { 2029}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 2031}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 2    and name HA  ))
      3.400     1.500     1.500 peak  2031 weight  0.10000E+01 volume  0.53475E-03 ppm1      7.164 ppm2      4.270 CV     1
 OR { 2031}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 12   and name HA  ))
 OR { 2031}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 2    and name HA  ))
 OR { 2031}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 2035}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.200     1.300     1.300 peak  2035 weight  0.10000E+01 volume  0.72271E-03 ppm1      7.243 ppm2      4.011 CV     1
 OR { 2035}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 2036}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 18   and name HA  ))
      3.200     1.300     1.300 peak  2036 weight  0.10000E+01 volume  0.84046E-03 ppm1      7.309 ppm2      4.051 CV     1
 OR { 2036}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 23   and name HA  ))
 OR { 2036}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 5    and name HA  ))
 OR { 2036}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI { 2037}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HD1 ))
      3.100     1.200     1.200 peak  2037 weight  0.10000E+01 volume  0.91392E-03 ppm1      7.244 ppm2      3.878 CV     1
 OR { 2037}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HA2 ))
 ASSI { 2040}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 15   and name HB  ))
      3.300     1.400     1.400 peak  2040 weight  0.10000E+01 volume  0.64710E-03 ppm1      7.176 ppm2      3.732 CV     1
 OR { 2040}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 14   and name HB  ))
 OR { 2040}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 1    and name HA  ))
 ASSI { 2041}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 27   and name HB1 ))
      6.000     5.300     0.000 peak  2041 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.009 ppm2      3.609 CV     1
 OR { 2041}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 2042}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 27   and name HB2 ))
      3.500     1.500     1.500 peak  2042 weight  0.10000E+01 volume  0.48073E-03 ppm1      7.002 ppm2      3.702 CV     1
 OR { 2042}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 28   and name HD2 ))
 OR { 2042}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 14   and name HB  ))
 OR { 2042}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 2043}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 28   and name HD1 ))
      3.200     1.300     1.300 peak  2043 weight  0.10000E+01 volume  0.75080E-03 ppm1      6.992 ppm2      3.856 CV     1
 OR { 2043}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 20   and name HD1 ))
 OR { 2043}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 20   and name HD1 ))
 ASSI { 2044}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 19   and name HB2 ))
      2.400     0.700     0.700 peak  2044 weight  0.10000E+01 volume  0.41699E-02 ppm1      6.998 ppm2      4.011 CV     1
 OR { 2044}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 19   and name HB2 ))
 OR { 2044}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 2046}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.600     0.800     0.800 peak  2046 weight  0.10000E+01 volume  0.29060E-02 ppm1      7.063 ppm2      4.097 CV     1
 OR { 2046}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 13   and name HA1 ))
 OR { 2046}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 2047}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 15   and name HB  ))
      3.300     1.300     1.300 peak  2047 weight  0.10000E+01 volume  0.67302E-03 ppm1      7.080 ppm2      3.751 CV     1
 OR { 2047}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 30   and name HB1 ))
 OR { 2047}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 2050}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 28   and name HA  ))
      3.300     1.300     1.300 peak  2050 weight  0.10000E+01 volume  0.67302E-03 ppm1      7.082 ppm2      4.441 CV     1
 OR { 2050}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 2052}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 24   and name HA  ))
      3.400     1.500     1.500 peak  2052 weight  0.10000E+01 volume  0.51314E-03 ppm1      7.197 ppm2      5.145 CV     1
 OR { 2052}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 2063}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HD% )
      6.000     6.000     0.000 peak  2063 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.241 ppm2      6.983 CV     1
 OR { 2063}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 25   and name HD% )
 ASSI { 2070}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 24   and name HN  ))
      3.900     1.900     1.900 peak  2070 weight  0.10000E+01 volume  0.45588E-03 ppm1      7.309 ppm2      8.537 CV     1
 OR { 2070}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 2075}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak  2075 weight  0.10000E+01 volume  0.17501E-02 ppm1      7.002 ppm2      9.100 CV     1
 OR { 2075}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 27   and name HN  ))
 OR { 2075}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2076}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 19   and name HN  ))
      3.400     1.500     1.500 peak  2076 weight  0.10000E+01 volume  0.95281E-03 ppm1      6.446 ppm2      9.114 CV     1
 OR { 2076}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 2077}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 26   and name HN  ))
      3.000     1.100     1.100 peak  2077 weight  0.10000E+01 volume  0.20201E-02 ppm1      7.003 ppm2      8.578 CV     1
 OR { 2077}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 24   and name HN  ))
 OR { 2077}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 2086}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.000     1.100     1.100 peak  2086 weight  0.10000E+01 volume  0.11127E-02 ppm1      4.300 ppm2      8.889 CV     1
 OR { 2086}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 2095}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.100     1.100 peak  2095 weight  0.10000E+01 volume  0.12855E-02 ppm1      3.535 ppm2      8.809 CV     1
 OR { 2095}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 2    and name HN  ))
 ASSI { 2098}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 15   and name HN  ))
      3.200     1.300     1.300 peak  2098 weight  0.10000E+01 volume  0.77456E-03 ppm1      3.606 ppm2      8.674 CV     1
 OR { 2098}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 2099}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      2.500     0.800     0.800 peak  2099 weight  0.10000E+01 volume  0.34461E-02 ppm1      3.755 ppm2      8.793 CV     1
 OR { 2099}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 2104}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak  2104 weight  0.10000E+01 volume  0.47317E-03 ppm1      3.707 ppm2      8.026 CV     1
 OR { 2104}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 2104}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 2104}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 2104}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2105}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak  2105 weight  0.10000E+01 volume  0.47965E-03 ppm1      3.667 ppm2      8.016 CV     1
 OR { 2105}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 2105}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 2107}
   (( segid "    " and resid 22   and name HA2 ))
   (( segid "    " and resid 22   and name HN  ))
      3.000     1.200     1.200 peak  2107 weight  0.10000E+01 volume  0.10803E-02 ppm1      3.917 ppm2      7.869 CV     1
 OR { 2107}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI { 2111}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      3.400     1.500     1.500 peak  2111 weight  0.10000E+01 volume  0.52178E-03 ppm1      4.092 ppm2      7.054 CV     1
 OR { 2111}
   (( segid "    " and resid 13   and name HA1 ))
   (  segid "    " and resid 29   and name HD% )
 ASSI { 2112}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 25   and name HD% )
      3.200     1.200     1.200 peak  2112 weight  0.10000E+01 volume  0.84911E-03 ppm1      4.012 ppm2      6.995 CV     1
 OR { 2112}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 21   and name HD% )
 ASSI { 2123}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 25   and name HE% )
      3.300     1.400     1.400 peak  2123 weight  0.10000E+01 volume  0.65681E-03 ppm1      2.919 ppm2      6.436 CV     1
 OR { 2123}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 25   and name HE% )
 OR { 2123}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 25   and name HE% )
 ASSI { 2124}
   (( segid "    " and resid 21   and name HB1 ))
   (  segid "    " and resid 21   and name HE% )
      3.600     1.600     1.600 peak  2124 weight  0.10000E+01 volume  0.32732E-03 ppm1      3.277 ppm2      6.712 CV     1
 OR { 2124}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 24   and name HZ3 ))
 OR { 2124}
   (( segid "    " and resid 22   and name HA1 ))
   (  segid "    " and resid 21   and name HE% )
 OR { 2124}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 24   and name HZ3 ))
 OR { 2124}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 21   and name HE% )
 ASSI { 2126}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak  2126 weight  0.10000E+01 volume  0.19553E-02 ppm1      3.276 ppm2      7.058 CV     1
 OR { 2126}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 2127}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak  2127 weight  0.10000E+01 volume  0.18365E-02 ppm1      3.275 ppm2      7.240 CV     1
 OR { 2127}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 21   and name HN  ))
 OR { 2127}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 24   and name HD1 ))
 ASSI { 2129}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 24   and name HZ3 ))
      2.800     1.000     1.000 peak  2129 weight  0.10000E+01 volume  0.88259E-03 ppm1      2.899 ppm2      6.678 CV     1
 OR { 2129}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 21   and name HE% )
 OR { 2129}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 21   and name HE% )
 ASSI { 2134}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 24   and name HE3 ))
      2.700     0.900     0.900 peak  2134 weight  0.10000E+01 volume  0.19553E-02 ppm1      2.895 ppm2      7.309 CV     1
 OR { 2134}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 24   and name HZ2 ))
 OR { 2134}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 24   and name HE3 ))
 ASSI { 2135}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HD1 ))
      2.300     0.700     0.700 peak  2135 weight  0.10000E+01 volume  0.54771E-02 ppm1      2.936 ppm2      7.179 CV     1
 OR { 2135}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HD2 ))
 OR { 2135}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HD1 ))
 OR { 2135}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HD2 ))
 OR { 2135}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 29   and name HE% )
 OR { 2135}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 29   and name HE% )
 ASSI { 2137}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 29   and name HD% )
      2.700     0.900     0.900 peak  2137 weight  0.10000E+01 volume  0.22254E-02 ppm1      2.881 ppm2      7.089 CV     1
 OR { 2137}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 24   and name HH2 ))
 ASSI { 2139}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 24   and name HD1 ))
      3.600     1.600     1.600 peak  2139 weight  0.10000E+01 volume  0.36838E-03 ppm1      2.803 ppm2      7.188 CV     1
 OR { 2139}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 24   and name HD1 ))
 OR { 2139}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 29   and name HE% )
 OR { 2139}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 3    and name HD2 ))
 OR { 2139}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 3    and name HD2 ))
 ASSI { 2140}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 24   and name HH2 ))
      3.600     1.600     1.600 peak  2140 weight  0.10000E+01 volume  0.42131E-03 ppm1      2.801 ppm2      7.066 CV     1
 OR { 2140}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 24   and name HH2 ))
 OR { 2140}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 29   and name HD% )
 OR { 2140}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 2144}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak  2144 weight  0.10000E+01 volume  0.23226E-02 ppm1      2.943 ppm2      8.007 CV     1
 OR { 2144}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2145}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.500     2.500     3.500 peak  2145 weight  0.10000E+01 volume  0.34893E-02 ppm1      2.884 ppm2      8.003 CV     1
 OR { 2145}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 2146}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.400     2.400     3.600 peak  2146 weight  0.10000E+01 volume  0.46560E-02 ppm1      3.021 ppm2      8.267 CV     1
 OR { 2146}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2147}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      2.500     2.500     3.500 peak  2147 weight  0.10000E+01 volume  0.31220E-02 ppm1      2.795 ppm2      8.274 CV     1
 OR { 2147}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
 OR { 2147}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI { 2148}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 7    and name HN  ))
      3.700     1.700     1.700 peak  2148 weight  0.10000E+01 volume  0.34893E-03 ppm1      2.802 ppm2      7.751 CV     1
 OR { 2148}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
 OR { 2148}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 2149}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     2.600     3.400 peak  2149 weight  0.10000E+01 volume  0.26467E-02 ppm1      2.895 ppm2      8.422 CV     1
 OR { 2149}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI { 2150}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak  2150 weight  0.10000E+01 volume  0.20201E-02 ppm1      2.922 ppm2      8.302 CV     1
 OR { 2150}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
 OR { 2150}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
 OR { 2150}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
 OR { 2150}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI { 2151}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.200     0.600     0.600 peak  2151 weight  0.10000E+01 volume  0.81886E-02 ppm1      2.979 ppm2      8.539 CV     1
 OR { 2151}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
 OR { 2151}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HN  ))
 OR { 2151}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HE1 ))
 OR { 2151}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HE1 ))
 ASSI { 2157}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      3.300     1.400     1.400 peak  2157 weight  0.10000E+01 volume  0.61900E-03 ppm1      2.901 ppm2      9.250 CV     1
 OR { 2157}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
 OR { 2157}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2158}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     5.300     0.000 peak  2158 weight  0.10000E+01 volume  0.10803E-04 ppm1      2.959 ppm2      9.247 CV     1
 OR { 2158}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
 OR { 2158}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2164}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     2.400     3.600 peak  2164 weight  0.10000E+01 volume  0.42131E-02 ppm1      2.447 ppm2      8.577 CV     1
 OR { 2164}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 2169}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 24   and name HE1 ))
      3.400     1.500     1.500 peak  2169 weight  0.10000E+01 volume  0.52286E-03 ppm1      2.805 ppm2      9.921 CV     1
 OR { 2169}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 24   and name HE1 ))
 ASSI { 2172}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
      2.500     2.500     3.500 peak  2172 weight  0.10000E+01 volume  0.34029E-02 ppm1      1.809 ppm2      8.562 CV     1
 OR { 2172}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
 OR { 2172}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 12   and name HN  ))
 OR { 2172}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 26   and name HN  ))
 OR { 2172}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
 OR { 2172}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 2173}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.600     1.600     1.600 peak  2173 weight  0.10000E+01 volume  0.41807E-03 ppm1      1.874 ppm2      8.585 CV     1
 OR { 2173}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
 OR { 2173}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 26   and name HN  ))
 OR { 2173}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
 OR { 2173}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 2174}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 2    and name HN  ))
      2.200     0.600     0.600 peak  2174 weight  0.10000E+01 volume  0.75080E-02 ppm1      1.932 ppm2      8.776 CV     1
 OR { 2174}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
 OR { 2174}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 10   and name HN  ))
 OR { 2174}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 2    and name HN  ))
 ASSI { 2175}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 19   and name HN  ))
      3.700     1.700     1.700 peak  2175 weight  0.10000E+01 volume  0.34137E-03 ppm1      1.817 ppm2      9.099 CV     1
 OR { 2175}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2177}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 2    and name HN  ))
      2.400     0.700     0.700 peak  2177 weight  0.10000E+01 volume  0.49910E-02 ppm1      1.523 ppm2      8.778 CV     1
 OR { 2177}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 2179}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.000     1.000 peak  2179 weight  0.10000E+01 volume  0.15124E-02 ppm1      2.171 ppm2      7.998 CV     1
 OR { 2179}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2180}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
      3.100     1.200     1.200 peak  2180 weight  0.10000E+01 volume  0.87071E-03 ppm1      1.884 ppm2      8.001 CV     1
 OR { 2180}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 2180}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
 OR { 2180}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2181}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     2.900     3.100 peak  2181 weight  0.10000E+01 volume  0.15773E-02 ppm1      1.829 ppm2      7.999 CV     1
 OR { 2181}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 30   and name HN  ))
 OR { 2181}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 2181}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 2181}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
 OR { 2181}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2182}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      3.800     1.800     1.800 peak  2182 weight  0.10000E+01 volume  0.28628E-03 ppm1      1.818 ppm2      7.873 CV     1
 OR { 2182}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 2194}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 21   and name HN  ))
      3.500     1.500     1.500 peak  2194 weight  0.10000E+01 volume  0.47532E-03 ppm1      1.812 ppm2      7.235 CV     1
 OR { 2194}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 21   and name HN  ))
 OR { 2194}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 24   and name HD1 ))
 ASSI { 2195}
   (( segid "    " and resid 20   and name HG2 ))
   (  segid "    " and resid 21   and name HD% )
      3.500     1.500     1.500 peak  2195 weight  0.10000E+01 volume  0.49801E-03 ppm1      1.749 ppm2      6.986 CV     1
 OR { 2195}
   (( segid "    " and resid 20   and name HG2 ))
   (  segid "    " and resid 25   and name HD% )
 ASSI { 2196}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 23   and name HN  ))
      2.300     0.600     0.600 peak  2196 weight  0.10000E+01 volume  0.62224E-02 ppm1      1.812 ppm2      7.031 CV     1
 OR { 2196}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 21   and name HD% )
 OR { 2196}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 25   and name HD% )
 OR { 2196}
   (( segid "    " and resid 20   and name HG1 ))
   (  segid "    " and resid 21   and name HD% )
 ASSI { 2197}
   (( segid "    " and resid 28   and name HB1 ))
   (  segid "    " and resid 29   and name HD% )
      6.000     5.300     0.000 peak  2197 weight  0.10000E+01 volume  0.10803E-04 ppm1      1.881 ppm2      7.078 CV     1
 OR { 2197}
   (( segid "    " and resid 28   and name HG1 ))
   (  segid "    " and resid 29   and name HD% )
 OR { 2197}
   (( segid "    " and resid 11   and name HG2 ))
   (  segid "    " and resid 29   and name HD% )
 ASSI { 2204}
   (  segid "    " and resid 2    and name HD1%)
   (  segid "    " and resid 29   and name HE% )
      3.100     1.200     1.200 peak  2204 weight  0.10000E+01 volume  0.90204E-03 ppm1      0.926 ppm2      7.188 CV     1
 OR { 2204}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 24   and name HD1 ))
 OR { 2204}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 3    and name HD2 ))
 ASSI { 2205}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 24   and name HE3 ))
      6.000     5.300     0.000 peak  2205 weight  0.10000E+01 volume  0.10803E-04 ppm1      0.933 ppm2      7.303 CV     1
 OR { 2205}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 24   and name HE3 ))
 ASSI { 2206}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 21   and name HN  ))
      3.600     1.600     1.600 peak  2206 weight  0.10000E+01 volume  0.38242E-03 ppm1      0.851 ppm2      7.195 CV     1
 OR { 2206}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 24   and name HD1 ))
 ASSI { 2207}
   (  segid "    " and resid 23   and name HG1%)
   (  segid "    " and resid 25   and name HD% )
      2.900     1.000     1.000 peak  2207 weight  0.10000E+01 volume  0.14584E-02 ppm1      0.866 ppm2      7.032 CV     1
 OR { 2207}
   (  segid "    " and resid 23   and name HG1%)
   (  segid "    " and resid 21   and name HD% )
 OR { 2207}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 2208}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 24   and name HH2 ))
      3.300     1.400     1.400 peak  2208 weight  0.10000E+01 volume  0.62765E-03 ppm1      0.768 ppm2      7.041 CV     1
 OR { 2208}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 29   and name HD% )
 OR { 2208}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 2208}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 25   and name HD% )
 ASSI { 2209}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 29   and name HE% )
      3.600     1.600     1.600 peak  2209 weight  0.10000E+01 volume  0.37918E-03 ppm1      0.760 ppm2      7.165 CV     1
 OR { 2209}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 24   and name HD1 ))
 OR { 2209}
   (  segid "    " and resid 1    and name HG1%)
   (( segid "    " and resid 3    and name HD2 ))
 OR { 2209}
   (  segid "    " and resid 1    and name HG1%)
   (  segid "    " and resid 29   and name HE% )
 OR { 2209}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 3    and name HD2 ))
 ASSI { 2211}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 21   and name HN  ))
      3.300     1.300     1.300 peak  2211 weight  0.10000E+01 volume  0.69570E-03 ppm1      0.711 ppm2      7.206 CV     1
 OR { 2211}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 29   and name HE% )
 OR { 2211}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 3    and name HD2 ))
 OR { 2211}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 24   and name HD1 ))
 ASSI { 2214}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak  2214 weight  0.10000E+01 volume  0.19553E-02 ppm1      0.748 ppm2      7.583 CV     1
 OR { 2214}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 2215}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      3.000     1.100     1.100 peak  2215 weight  0.10000E+01 volume  0.11127E-02 ppm1      0.932 ppm2      7.782 CV     1
 OR { 2215}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 2216}
   (  segid "    " and resid 7    and name HB% )
   (( segid "    " and resid 7    and name HN  ))
      2.100     0.600     0.600 peak  2216 weight  0.10000E+01 volume  0.90204E-02 ppm1      1.321 ppm2      7.760 CV     1
 OR { 2216}
   (  segid "    " and resid 7    and name HB% )
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 2217}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 7    and name HN  ))
      2.500     2.500     3.500 peak  2217 weight  0.10000E+01 volume  0.38026E-02 ppm1      1.252 ppm2      7.761 CV     1
 OR { 2217}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 2223}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 29   and name HN  ))
      3.300     1.300     1.300 peak  2223 weight  0.10000E+01 volume  0.68922E-03 ppm1      0.759 ppm2      8.001 CV     1
 OR { 2223}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2226}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
      2.800     2.800     3.200 peak  2226 weight  0.10000E+01 volume  0.17285E-02 ppm1      0.707 ppm2      8.535 CV     1
 OR { 2226}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 2227}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.800     0.800 peak  2227 weight  0.10000E+01 volume  0.28304E-02 ppm1      0.863 ppm2      8.533 CV     1
 OR { 2227}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 2229}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 12   and name HN  ))
      3.300     1.400     1.400 peak  2229 weight  0.10000E+01 volume  0.62441E-03 ppm1      0.933 ppm2      8.549 CV     1
 OR { 2229}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
 OR { 2229}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
 OR { 2229}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 2230}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.000     1.000 peak  2230 weight  0.10000E+01 volume  0.14368E-02 ppm1      0.970 ppm2      8.426 CV     1
 OR { 2230}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2233}
   (( segid "    " and resid 2    and name HG12))
   (( segid "    " and resid 2    and name HN  ))
      2.800     1.000     1.000 peak  2233 weight  0.10000E+01 volume  0.16312E-02 ppm1      1.282 ppm2      8.798 CV     1
 OR { 2233}
   (( segid "    " and resid 2    and name HG11))
   (( segid "    " and resid 2    and name HN  ))
 OR { 2233}
   (( segid "    " and resid 2    and name HG12))
   (( segid "    " and resid 10   and name HN  ))
 OR { 2233}
   (( segid "    " and resid 2    and name HG11))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 2236}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 2    and name HN  ))
      2.800     0.900     0.900 peak  2236 weight  0.10000E+01 volume  0.19445E-02 ppm1      0.924 ppm2      8.791 CV     1
 OR { 2236}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
 OR { 2236}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 2238}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.200     1.200 peak  2238 weight  0.10000E+01 volume  0.10609E-02 ppm1      0.771 ppm2      9.115 CV     1
 OR { 2238}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2239}
   (  segid "    " and resid 1    and name HG2%)
   (( segid "    " and resid 2    and name HN  ))
      2.800     1.000     1.000 peak  2239 weight  0.10000E+01 volume  0.17717E-02 ppm1      0.600 ppm2      8.782 CV     1
 OR { 2239}
   (  segid "    " and resid 1    and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
 OR { 2239}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
 OR { 2239}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 2    and name HN  ))
 ASSI { 2240}
   (  segid "    " and resid 1    and name HG1%)
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.100     1.100 peak  2240 weight  0.10000E+01 volume  0.11343E-02 ppm1      0.764 ppm2      8.573 CV     1
 OR { 2240}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
 OR { 2240}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 2241}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      6.000     5.300     0.000 peak  2241 weight  0.10000E+01 volume  0.10803E-04 ppm1      0.728 ppm2      8.573 CV     1
 OR { 2241}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
 OR { 2241}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 2243}
   (  segid "    " and resid 1    and name HG1%)
   (( segid "    " and resid 2    and name HN  ))
      3.100     1.200     1.200 peak  2243 weight  0.10000E+01 volume  0.90852E-03 ppm1      0.769 ppm2      8.786 CV     1
 OR { 2243}
   (  segid "    " and resid 1    and name HG1%)
   (( segid "    " and resid 10   and name HN  ))
 OR { 2243}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 2    and name HN  ))
 ASSI { 2244}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 2    and name HN  ))
      2.700     0.900     0.900 peak  2244 weight  0.10000E+01 volume  0.24090E-02 ppm1      0.722 ppm2      8.797 CV     1
 OR { 2244}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 2246}
   (  segid "    " and resid 1    and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
      3.600     1.600     1.600 peak  2246 weight  0.10000E+01 volume  0.40727E-03 ppm1      0.613 ppm2      8.972 CV     1
 OR { 2246}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 3    and name HN  ))
 ASSI { 2247}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      6.000     5.300     0.000 peak  2247 weight  0.10000E+01 volume  0.10803E-04 ppm1      0.752 ppm2      8.894 CV     1
 OR { 2247}
   (  segid "    " and resid 1    and name HG1%)
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 2259}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 23   and name HN  ))
      2.800     1.000     1.000 peak  2259 weight  0.10000E+01 volume  0.17393E-02 ppm1     -0.441 ppm2      7.040 CV     1
 OR { 2259}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 24   and name HH2 ))
 OR { 2259}
   (  segid "    " and resid 18   and name HD2%)
   (  segid "    " and resid 25   and name HD% )
 OR { 2259}
   (  segid "    " and resid 18   and name HD2%)
   (  segid "    " and resid 21   and name HD% )
 ASSI { 2172}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HG11))
      2.200     0.600     0.600 peak  2172 weight  0.10000E+01 volume  0.11971E-01 ppm1      4.283 ppm2      1.251 CV     1
 OR { 2172}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HG12))
 OR { 2172}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 2    and name HG12))
 OR { 2172}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 2    and name HG11))
 ASSI { 2173}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 2    and name HD1%)
      2.100     0.500     0.500 peak  2173 weight  0.10000E+01 volume  0.17642E-01 ppm1      4.282 ppm2      0.908 CV     1
 OR { 2173}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HD1%)
 ASSI { 2174}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HG2%)
      1.700     1.700     4.300 peak  2174 weight  0.10000E+01 volume  0.55289E-01 ppm1      4.281 ppm2      0.718 CV     1
 OR { 2174}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 1    and name HG1%)
 OR { 2174}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 2    and name HG2%)
 OR { 2174}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 1    and name HG1%)
 ASSI { 2178}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 2    and name HA  ))
      5.100     3.200     0.900 peak  2178 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.514 ppm2      4.283 CV     1
 OR { 2178}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 2181}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 2    and name HA  ))
      5.100     3.200     0.900 peak  2181 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.717 ppm2      4.284 CV     1
 OR { 2181}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 2187}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 2    and name HD1%)
      5.100     3.200     0.900 peak  2187 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.720 ppm2      0.906 CV     1
 OR { 2187}
   (( segid "    " and resid 9    and name HG11))
   (  segid "    " and resid 8    and name HG2%)
 OR { 2187}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 8    and name HG2%)
 ASSI { 2214}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 8    and name HG2%)
      5.100     3.200     0.900 peak  2214 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.419 ppm2      0.916 CV     1
 OR { 2214}
   (( segid "    " and resid 13   and name HA2 ))
   (  segid "    " and resid 2    and name HD1%)
 ASSI { 2229}
   (( segid "    " and resid 9    and name HB  ))
   (  segid "    " and resid 9    and name HD1%)
      2.000     0.500     0.500 peak  2229 weight  0.10000E+01 volume  0.23627E-01 ppm1      1.365 ppm2      0.577 CV     1
 OR { 2229}
   (( segid "    " and resid 9    and name HB  ))
   (  segid "    " and resid 1    and name HG2%)
 ASSI { 2233}
   (( segid "    " and resid 9    and name HG11))
   (  segid "    " and resid 9    and name HG2%)
      5.100     3.200     0.900 peak  2233 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.727 ppm2      0.355 CV     1
 OR { 2233}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 9    and name HG2%)
 ASSI { 2241}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.500     0.800     0.800 peak  2241 weight  0.10000E+01 volume  0.60880E-02 ppm1      5.209 ppm2      3.515 CV     1
 OR { 2241}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI { 2246}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 1    and name HA  ))
      5.100     3.200     0.900 peak  2246 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.324 ppm2      3.746 CV     1
 OR { 2246}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 2249}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      5.100     3.200     0.900 peak  2249 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.325 ppm2      1.876 CV     1
 OR { 2249}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 2252}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HG2 ))
      5.100     3.200     0.900 peak  2252 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.734 ppm2      1.876 CV     1
 OR { 2252}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 2253}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HB2 ))
      5.100     3.200     0.900 peak  2253 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.734 ppm2      2.172 CV     1
 OR { 2253}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 2260}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD1 ))
      5.100     3.200     0.900 peak  2260 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.808 ppm2      3.740 CV     1
 OR { 2260}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD1 ))
 OR { 2260}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 1    and name HA  ))
 ASSI { 2262}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD1 ))
      5.100     3.200     0.900 peak  2262 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.171 ppm2      3.738 CV     1
 OR { 2262}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 1    and name HA  ))
 OR { 2262}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 2264}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB2 ))
      5.100     3.200     0.900 peak  2264 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.632 ppm2      2.169 CV     1
 OR { 2264}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 2265}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG2 ))
      5.100     3.200     0.900 peak  2265 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.631 ppm2      1.876 CV     1
 OR { 2265}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 2265}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 28   and name HG1 ))
 ASSI { 2268}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HB1 ))
      5.100     5.100     0.900 peak  2268 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.169 ppm2      1.875 CV     1
 OR { 2268}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG2 ))
 OR { 2268}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HG1 ))
 ASSI { 2269}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD2 ))
      5.100     3.200     0.900 peak  2269 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.171 ppm2      3.632 CV     1
 OR { 2269}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 27   and name HB1 ))
 OR { 2269}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 2270}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HD2 ))
      5.100     3.200     0.900 peak  2270 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.875 ppm2      3.629 CV     1
 OR { 2270}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 11   and name HD2 ))
 OR { 2270}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 2280}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      1.900     1.900     4.100 peak  2280 weight  0.10000E+01 volume  0.28432E-01 ppm1      2.527 ppm2      4.282 CV     1
 OR { 2280}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI { 2287}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
      2.600     0.800     0.800 peak  2287 weight  0.10000E+01 volume  0.49697E-02 ppm1      4.819 ppm2      3.692 CV     1
 OR { 2287}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 2290}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HB  ))
      5.100     3.200     0.900 peak  2290 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.761 ppm2      3.689 CV     1
 OR { 2290}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 28   and name HD2 ))
 ASSI { 2336}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
      5.100     3.200     0.900 peak  2336 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.013 ppm2      4.090 CV     1
 OR { 2336}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 23   and name HA  ))
 OR { 2336}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 2337}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 18   and name HA  ))
      2.200     0.600     0.600 peak  2337 weight  0.10000E+01 volume  0.12129E-01 ppm1     -0.438 ppm2      4.093 CV     1
 OR { 2337}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 23   and name HA  ))
 ASSI { 2353}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      5.100     3.200     0.900 peak  2353 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.188 ppm2      1.127 CV     1
 OR { 2353}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI { 2354}
   (( segid "    " and resid 20   and name HD1 ))
   (( segid "    " and resid 20   and name HB2 ))
      5.100     3.200     0.900 peak  2354 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.855 ppm2      1.128 CV     1
 OR { 2354}
   (( segid "    " and resid 20   and name HD1 ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI { 2363}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HG1 ))
      5.100     3.200     0.900 peak  2363 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.531 ppm2      1.817 CV     1
 OR { 2363}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 23   and name HB  ))
 ASSI { 2372}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HB2 ))
      5.100     3.200     0.900 peak  2372 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.818 ppm2      1.130 CV     1
 OR { 2372}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 18   and name HB1 ))
 OR { 2372}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI { 2376}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HD1 ))
      5.100     3.200     0.900 peak  2376 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.821 ppm2      3.856 CV     1
 OR { 2376}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HD1 ))
 ASSI { 2404}
   (( segid "    " and resid 21   and name HB1 ))
   (  segid "    " and resid 21   and name HE% )
      3.700     1.700     1.700 peak  2404 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.281 ppm2      6.717 CV     1
 OR { 2404}
   (( segid "    " and resid 22   and name HA1 ))
   (  segid "    " and resid 21   and name HE% )
 ASSI { 2422}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 23   and name HA  ))
      5.100     3.200     0.900 peak  2422 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.818 ppm2      4.086 CV     1
 OR { 2422}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 2425}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 23   and name HG1%)
      5.100     5.100     0.900 peak  2425 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.710 ppm2      0.884 CV     1
 OR { 2425}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 2    and name HD1%)
 ASSI { 2445}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
      5.100     3.200     0.900 peak  2445 weight  0.10000E+01 volume  0.78759E-04 ppm1      5.174 ppm2      2.947 CV     1
 OR { 2445}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
 OR { 2445}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI { 2453}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HA  ))
      5.100     3.200     0.900 peak  2453 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.940 ppm2      5.177 CV     1
 OR { 2453}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
 OR { 2453}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 24   and name HA  ))
 OR { 2453}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
 OR { 2453}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
 OR { 2453}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 2455}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.700     1.700     1.700 peak  2455 weight  0.10000E+01 volume  0.78759E-04 ppm1      9.747 ppm2      2.954 CV     1
 OR { 2455}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
 OR { 2455}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
 OR { 2455}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 2461}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 27   and name HA  ))
      3.700     1.700     1.700 peak  2461 weight  0.10000E+01 volume  0.78759E-04 ppm1      6.447 ppm2      4.903 CV     1
 OR { 2461}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 2462}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 25   and name HB2 ))
      3.700     1.700     1.700 peak  2462 weight  0.10000E+01 volume  0.78759E-04 ppm1      6.447 ppm2      2.954 CV     1
 OR { 2462}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 25   and name HB1 ))
 OR { 2462}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 24   and name HB1 ))
 OR { 2462}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 2463}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      5.100     3.200     0.900 peak  2463 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.886 ppm2      2.954 CV     1
 OR { 2463}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
 OR { 2463}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
 OR { 2463}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 2465}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 25   and name HD% )
      3.700     1.700     1.700 peak  2465 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.883 ppm2      7.009 CV     1
 OR { 2465}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 25   and name HD% )
 ASSI { 2470}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
      5.100     3.200     0.900 peak  2470 weight  0.10000E+01 volume  0.78759E-04 ppm1      5.204 ppm2      2.987 CV     1
 OR { 2470}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
 ASSI { 2476}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HD2 ))
      1.900     0.500     0.500 peak  2476 weight  0.10000E+01 volume  0.29298E-01 ppm1      4.882 ppm2      3.713 CV     1
 OR { 2476}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
 OR { 2476}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
 ASSI { 2483}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
      5.100     3.200     0.900 peak  2483 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.474 ppm2      3.705 CV     1
 OR { 2483}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HD2 ))
 OR { 2483}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 2487}
   (( segid "    " and resid 28   and name HD1 ))
   (( segid "    " and resid 28   and name HD2 ))
      5.100     5.100     0.900 peak  2487 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.872 ppm2      3.703 CV     1
 OR { 2487}
   (( segid "    " and resid 28   and name HD1 ))
   (( segid "    " and resid 14   and name HB  ))
 ASSI { 2488}
   (( segid "    " and resid 28   and name HD1 ))
   (( segid "    " and resid 28   and name HB2 ))
      5.100     3.200     0.900 peak  2488 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.873 ppm2      2.179 CV     1
 OR { 2488}
   (( segid "    " and resid 28   and name HD1 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 2496}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 28   and name HD2 ))
      5.100     3.200     0.900 peak  2496 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.883 ppm2      3.704 CV     1
 OR { 2496}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HD2 ))
 OR { 2496}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 14   and name HB  ))
 OR { 2496}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 14   and name HB  ))
 OR { 2496}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 14   and name HB  ))
 OR { 2496}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 27   and name HB2 ))
 OR { 2496}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 2497}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HD2 ))
      5.100     3.200     0.900 peak  2497 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.172 ppm2      3.706 CV     1
 OR { 2497}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 14   and name HB  ))
 OR { 2497}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 14   and name HB  ))
 OR { 2497}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 2505}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HG2 ))
      5.100     3.200     0.900 peak  2505 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.703 ppm2      1.830 CV     1
 OR { 2505}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 11   and name HG1 ))
 OR { 2505}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2513}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 29   and name HB2 ))
      3.700     1.700     1.700 peak  2513 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.163 ppm2      2.900 CV     1
 OR { 2513}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 2534}
   (( segid "    " and resid 3    and name HE1 ))
   (( segid "    " and resid 9    and name HB  ))
      5.500     3.700     0.500 peak  2534 weight  0.10000E+01 volume  0.78759E-05 ppm1      8.478 ppm2      1.340 CV     1
 OR { 2534}
   (( segid "    " and resid 3    and name HE1 ))
   (  segid "    " and resid 7    and name HB% )
 ASSI { 2550}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 18   and name HB2 ))
      3.700     1.700     1.700 peak  2550 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.066 ppm2      0.208 CV     1
 OR { 2550}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 2559}
   (  segid "    " and resid 25   and name HD% )
   (  segid "    " and resid 23   and name HG2%)
      2.100     2.100     3.900 peak  2559 weight  0.10000E+01 volume  0.24966E-02 ppm1      7.004 ppm2      0.712 CV     1
 OR { 2559}
   (  segid "    " and resid 25   and name HD% )
   (  segid "    " and resid 2    and name HG2%)
 ASSI { 2562}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 18   and name HG  ))
      2.100     2.100     3.900 peak  2562 weight  0.10000E+01 volume  0.21265E-02 ppm1      7.069 ppm2      0.796 CV     1
 OR { 2562}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 18   and name HG  ))
 ASSI { 2566}
   (  segid "    " and resid 29   and name HE% )
   (  segid "    " and resid 14   and name HG2%)
      2.100     2.100     3.900 peak  2566 weight  0.10000E+01 volume  0.27565E-02 ppm1      7.155 ppm2      0.748 CV     1
 OR { 2566}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 9    and name HG11))
 OR { 2566}
   (( segid "    " and resid 3    and name HD2 ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI { 2568}
   (( segid "    " and resid 24   and name HD1 ))
   (  segid "    " and resid 23   and name HG2%)
      3.700     3.700     2.300 peak  2568 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.209 ppm2      0.716 CV     1
 OR { 2568}
   (( segid "    " and resid 24   and name HD1 ))
   (  segid "    " and resid 2    and name HG2%)
 OR { 2568}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 9    and name HG11))
 ASSI { 2573}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 18   and name HB1 ))
      2.200     2.200     3.800 peak  2573 weight  0.10000E+01 volume  0.18902E-02 ppm1      7.311 ppm2      1.116 CV     1
 OR { 2573}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI { 2577}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 2    and name HG11))
      3.700     1.700     1.700 peak  2577 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.147 ppm2      1.250 CV     1
 OR { 2577}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 2    and name HG12))
 OR { 2577}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 2    and name HG12))
 OR { 2577}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 2    and name HG11))
 ASSI { 2579}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      2.300     2.300     3.700 peak  2579 weight  0.10000E+01 volume  0.12759E-02 ppm1      7.066 ppm2      1.120 CV     1
 OR { 2579}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 18   and name HB1 ))
 OR { 2579}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI { 2583}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 23   and name HB  ))
      3.700     1.700     1.700 peak  2583 weight  0.10000E+01 volume  0.78759E-04 ppm1      6.981 ppm2      1.820 CV     1
 OR { 2583}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 2584}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 23   and name HB  ))
      2.000     2.000     4.000 peak  2584 weight  0.10000E+01 volume  0.30401E-02 ppm1      7.006 ppm2      1.826 CV     1
 OR { 2584}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 28   and name HG2 ))
 OR { 2584}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 2586}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 28   and name HB1 ))
      2.300     2.300     3.700 peak  2586 weight  0.10000E+01 volume  0.14649E-02 ppm1      7.075 ppm2      1.875 CV     1
 OR { 2586}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 28   and name HG1 ))
 OR { 2586}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 10   and name HB2 ))
 OR { 2586}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 11   and name HG2 ))
 OR { 2586}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 2587}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 28   and name HB1 ))
      2.100     2.100     3.900 peak  2587 weight  0.10000E+01 volume  0.21265E-02 ppm1      7.161 ppm2      1.861 CV     1
 OR { 2587}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 28   and name HG1 ))
 OR { 2587}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 2587}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 10   and name HB2 ))
 OR { 2587}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 28   and name HG2 ))
 OR { 2587}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 11   and name HG2 ))
 OR { 2587}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI { 2592}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 16   and name HB2 ))
      3.700     1.700     1.700 peak  2592 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.310 ppm2      2.787 CV     1
 OR { 2592}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 2600}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 24   and name HB1 ))
      5.100     3.200     0.900 peak  2600 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.327 ppm2      2.943 CV     1
 OR { 2600}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 24   and name HB2 ))
 OR { 2600}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 3    and name HB1 ))
 OR { 2600}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 25   and name HB1 ))
 OR { 2600}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 3    and name HB2 ))
 OR { 2600}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 2601}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 5    and name HB1 ))
      5.100     3.200     0.900 peak  2601 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.327 ppm2      2.790 CV     1
 OR { 2601}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI { 2610}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 13   and name HA2 ))
      3.700     1.700     1.700 peak  2610 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.075 ppm2      3.428 CV     1
 OR { 2610}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 8    and name HB  ))
 ASSI { 2612}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 17   and name HB1 ))
      3.700     1.700     1.700 peak  2612 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.007 ppm2      3.265 CV     1
 OR { 2612}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 22   and name HA1 ))
 ASSI { 2616}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 30   and name HB2 ))
      2.100     2.100     3.900 peak  2616 weight  0.10000E+01 volume  0.22683E-02 ppm1      7.076 ppm2      3.677 CV     1
 OR { 2616}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 30   and name HB1 ))
 OR { 2616}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 14   and name HB  ))
 ASSI { 2619}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 14   and name HB  ))
      3.700     1.700     1.700 peak  2619 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.162 ppm2      3.675 CV     1
 OR { 2619}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 30   and name HB2 ))
 OR { 2619}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 2621}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 28   and name HD1 ))
      3.700     1.700     1.700 peak  2621 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.005 ppm2      3.876 CV     1
 OR { 2621}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 20   and name HD1 ))
 OR { 2621}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 22   and name HA2 ))
 ASSI { 2625}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.100     0.600     0.600 peak  2625 weight  0.10000E+01 volume  0.22289E-02 ppm1      7.074 ppm2      4.053 CV     1
 OR { 2625}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
 OR { 2625}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 30   and name HA  ))
 OR { 2625}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 OR { 2625}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 18   and name HA  ))
 OR { 2625}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 13   and name HA1 ))
 ASSI { 2627}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 18   and name HA  ))
      2.000     2.000     4.000 peak  2627 weight  0.10000E+01 volume  0.30243E-02 ppm1      7.311 ppm2      4.092 CV     1
 OR { 2627}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 23   and name HA  ))
 OR { 2627}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 2629}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 2    and name HA  ))
      2.200     2.200     3.800 peak  2629 weight  0.10000E+01 volume  0.20084E-02 ppm1      7.144 ppm2      4.282 CV     1
 OR { 2629}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 2679}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 23   and name HB  ))
      3.700     1.700     1.700 peak  2679 weight  0.10000E+01 volume  0.78759E-04 ppm1      6.716 ppm2      1.824 CV     1
 OR { 2679}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 2690}
   (  segid "    " and resid 25   and name HE% )
   (  segid "    " and resid 23   and name HG2%)
      2.300     2.300     3.700 peak  2690 weight  0.10000E+01 volume  0.15752E-02 ppm1      6.447 ppm2      0.718 CV     1
 OR { 2690}
   (  segid "    " and resid 25   and name HE% )
   (  segid "    " and resid 2    and name HG2%)
 ASSI { 2701}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 18   and name HG  ))
      2.600     2.600     3.400 peak  2701 weight  0.10000E+01 volume  0.44892E-02 ppm1      5.193 ppm2      0.762 CV     1
 OR { 2701}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
 OR { 2701}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 1    and name HG1%)
 OR { 2701}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 9    and name HG11))
 OR { 2701}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
 OR { 2701}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 1    and name HG1%)
 ASSI { 2702}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
      2.600     2.600     3.400 peak  2702 weight  0.10000E+01 volume  0.45602E-02 ppm1      5.172 ppm2      0.899 CV     1
 OR { 2702}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI { 2703}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 18   and name HB1 ))
      5.100     3.200     0.900 peak  2703 weight  0.10000E+01 volume  0.78759E-04 ppm1      5.173 ppm2      1.113 CV     1
 OR { 2703}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI { 2704}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.500     0.800     0.800 peak  2704 weight  0.10000E+01 volume  0.58125E-02 ppm1      5.198 ppm2      1.857 CV     1
 OR { 2704}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HG1 ))
 OR { 2704}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 2704}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
 OR { 2704}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HB  ))
 OR { 2704}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 2704}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
 OR { 2704}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 28   and name HG1 ))
 OR { 2704}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 11   and name HG1 ))
 OR { 2704}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2712}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
      2.300     2.300     3.700 peak  2712 weight  0.10000E+01 volume  0.96086E-02 ppm1      5.198 ppm2      3.643 CV     1
 OR { 2712}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
 OR { 2712}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 2718}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 18   and name HA  ))
      5.100     3.200     0.900 peak  2718 weight  0.10000E+01 volume  0.78759E-04 ppm1      5.172 ppm2      4.082 CV     1
 OR { 2718}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HA  ))
 OR { 2718}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI { 2720}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 25   and name HD% )
      2.000     2.000     4.000 peak  2720 weight  0.10000E+01 volume  0.31897E-02 ppm1      5.172 ppm2      7.010 CV     1
 OR { 2720}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 2720}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 21   and name HD% )
 ASSI { 2725}
   (( segid "    " and resid 19   and name HB1 ))
   (  segid "    " and resid 25   and name HD% )
      2.000     0.500     0.500 peak  2725 weight  0.10000E+01 volume  0.36466E-02 ppm1      4.357 ppm2      7.007 CV     1
 OR { 2725}
   (( segid "    " and resid 19   and name HB1 ))
   (  segid "    " and resid 21   and name HD% )
 ASSI { 2727}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 24   and name HE3 ))
      3.800     1.800     1.800 peak  2727 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.098 ppm2      7.323 CV     1
 OR { 2727}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 24   and name HZ2 ))
 OR { 2727}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 24   and name HZ2 ))
 OR { 2727}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HE3 ))
 OR { 2727}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 24   and name HE3 ))
 ASSI { 2728}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HD1 ))
      3.700     1.700     1.700 peak  2728 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.089 ppm2      7.212 CV     1
 OR { 2728}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 24   and name HD1 ))
 OR { 2728}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 24   and name HD1 ))
 ASSI { 2729}
   (( segid "    " and resid 13   and name HA1 ))
   (  segid "    " and resid 29   and name HE% )
      3.700     1.700     1.700 peak  2729 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.054 ppm2      7.158 CV     1
 OR { 2729}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 29   and name HE% )
 ASSI { 2730}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 29   and name HD% )
      3.700     1.700     1.700 peak  2730 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.054 ppm2      7.069 CV     1
 OR { 2730}
   (( segid "    " and resid 13   and name HA1 ))
   (  segid "    " and resid 29   and name HD% )
 ASSI { 2739}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
      5.100     3.200     0.900 peak  2739 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.098 ppm2      5.176 CV     1
 OR { 2739}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI { 2751}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HD2 ))
      2.800     1.000     1.000 peak  2751 weight  0.10000E+01 volume  0.30480E-02 ppm1      4.817 ppm2      3.534 CV     1
 OR { 2751}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI { 2757}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 1    and name HA  ))
      2.400     0.700     0.700 peak  2757 weight  0.10000E+01 volume  0.70017E-02 ppm1      4.282 ppm2      3.749 CV     1
 OR { 2757}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 1    and name HA  ))
 OR { 2757}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 2774}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HB1 ))
      5.100     3.200     0.900 peak  2774 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.191 ppm2      3.275 CV     1
 OR { 2774}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 22   and name HA1 ))
 OR { 2774}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 2783}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HA1 ))
      2.800     1.000     1.000 peak  2783 weight  0.10000E+01 volume  0.27565E-02 ppm1      4.086 ppm2      3.275 CV     1
 OR { 2783}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
 OR { 2783}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 22   and name HA1 ))
 OR { 2783}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 21   and name HB1 ))
 OR { 2783}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 2785}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 25   and name HB1 ))
      3.000     3.000     3.000 peak  2785 weight  0.10000E+01 volume  0.19847E-02 ppm1      4.016 ppm2      2.965 CV     1
 OR { 2785}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 25   and name HB2 ))
 OR { 2785}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 24   and name HB2 ))
 OR { 2785}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI { 2791}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      5.100     3.200     0.900 peak  2791 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.880 ppm2      2.177 CV     1
 OR { 2791}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 2791}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 2791}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 2796}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      5.100     3.200     0.900 peak  2796 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.429 ppm2      2.899 CV     1
 OR { 2796}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
 OR { 2796}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
 OR { 2796}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 3    and name HB1 ))
 ASSI { 2805}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
      5.100     3.200     0.900 peak  2805 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.283 ppm2      2.908 CV     1
 OR { 2805}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HB1 ))
 OR { 2805}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
 OR { 2805}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
 OR { 2805}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 3    and name HB1 ))
 ASSI { 2808}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 1    and name HB  ))
      2.800     2.800     3.200 peak  2808 weight  0.10000E+01 volume  0.25833E-02 ppm1      4.282 ppm2      1.960 CV     1
 OR { 2808}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 1    and name HB  ))
 ASSI { 2813}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      6.000     6.000     0.000 peak  2813 weight  0.10000E+01 volume  0.78759E-05 ppm1      4.050 ppm2      2.944 CV     1
 OR { 2813}
   (( segid "    " and resid 13   and name HA1 ))
   (( segid "    " and resid 29   and name HB1 ))
 OR { 2813}
   (( segid "    " and resid 13   and name HA1 ))
   (( segid "    " and resid 25   and name HB2 ))
 OR { 2813}
   (( segid "    " and resid 13   and name HA1 ))
   (( segid "    " and resid 3    and name HB2 ))
 OR { 2813}
   (( segid "    " and resid 13   and name HA1 ))
   (( segid "    " and resid 25   and name HB1 ))
 OR { 2813}
   (( segid "    " and resid 13   and name HA1 ))
   (( segid "    " and resid 3    and name HB1 ))
 OR { 2813}
   (( segid "    " and resid 13   and name HA1 ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI { 2817}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HG1 ))
      2.500     2.500     3.500 peak  2817 weight  0.10000E+01 volume  0.62142E-02 ppm1      4.882 ppm2      1.878 CV     1
 OR { 2817}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
 OR { 2817}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 2817}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
 OR { 2817}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
 OR { 2817}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 2818}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HG1 ))
      5.100     3.200     0.900 peak  2818 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.818 ppm2      1.836 CV     1
 OR { 2818}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 23   and name HB  ))
 OR { 2818}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI { 2836}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 20   and name HB2 ))
      5.100     3.200     0.900 peak  2836 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.018 ppm2      1.131 CV     1
 OR { 2836}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI { 2840}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      3.200     1.200     1.200 peak  2840 weight  0.10000E+01 volume  0.13862E-02 ppm1      4.881 ppm2      0.762 CV     1
 OR { 2840}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI { 2846}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      1.900     1.900     4.100 peak  2846 weight  0.10000E+01 volume  0.25203E-01 ppm1      4.473 ppm2      0.764 CV     1
 OR { 2846}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 9    and name HG11))
 ASSI { 2851}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 1    and name HG2%)
      2.700     2.700     3.300 peak  2851 weight  0.10000E+01 volume  0.33867E-02 ppm1      4.281 ppm2      0.616 CV     1
 OR { 2851}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 1    and name HG2%)
 ASSI { 2854}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      5.100     3.200     0.900 peak  2854 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.284 ppm2      0.353 CV     1
 OR { 2854}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
 ASSI { 2890}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 15   and name HG2%)
      5.100     3.200     0.900 peak  2890 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.703 ppm2      0.980 CV     1
 OR { 2890}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 2897}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 2    and name HD1%)
      2.400     2.400     3.600 peak  2897 weight  0.10000E+01 volume  0.71435E-02 ppm1      3.501 ppm2      0.909 CV     1
 OR { 2897}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 8    and name HG2%)
 OR { 2897}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI { 2898}
   (( segid "    " and resid 13   and name HA2 ))
   (  segid "    " and resid 14   and name HG2%)
      2.800     2.800     3.200 peak  2898 weight  0.10000E+01 volume  0.28038E-02 ppm1      3.425 ppm2      0.765 CV     1
 OR { 2898}
   (( segid "    " and resid 13   and name HA2 ))
   (  segid "    " and resid 1    and name HG1%)
 OR { 2898}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 1    and name HG1%)
 ASSI { 2900}
   (( segid "    " and resid 21   and name HB1 ))
   (  segid "    " and resid 23   and name HG2%)
      2.100     2.100     3.900 peak  2900 weight  0.10000E+01 volume  0.14176E-01 ppm1      3.281 ppm2      0.717 CV     1
 OR { 2900}
   (( segid "    " and resid 22   and name HA1 ))
   (  segid "    " and resid 23   and name HG2%)
 ASSI { 2901}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 18   and name HG  ))
      2.300     2.300     3.700 peak  2901 weight  0.10000E+01 volume  0.93724E-02 ppm1      3.270 ppm2      0.796 CV     1
 OR { 2901}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HG  ))
 ASSI { 2904}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 8    and name HG2%)
      5.100     3.200     0.900 peak  2904 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.941 ppm2      0.914 CV     1
 OR { 2904}
   (( segid "    " and resid 24   and name HB1 ))
   (  segid "    " and resid 8    and name HG2%)
 OR { 2904}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI { 2905}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 8    and name HG2%)
      5.100     3.200     0.900 peak  2905 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.961 ppm2      0.914 CV     1
 OR { 2905}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 8    and name HG2%)
 OR { 2905}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 2    and name HD1%)
 OR { 2905}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR { 2905}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 2    and name HD1%)
 ASSI { 2906}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 14   and name HG2%)
      2.100     2.100     3.900 peak  2906 weight  0.10000E+01 volume  0.17800E-01 ppm1      2.984 ppm2      0.764 CV     1
 OR { 2906}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 2    and name HG2%)
 OR { 2906}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI { 2921}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 7    and name HB% )
      2.400     2.400     3.600 peak  2921 weight  0.10000E+01 volume  0.64819E-02 ppm1      3.406 ppm2      1.311 CV     1
 OR { 2921}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 2    and name HG12))
 OR { 2921}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 2    and name HG11))
 OR { 2921}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 9    and name HB  ))
 OR { 2921}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 6    and name HB% )
 OR { 2921}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 2    and name HG12))
 ASSI { 2926}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 20   and name HB2 ))
      2.700     0.900     0.900 peak  2926 weight  0.10000E+01 volume  0.34496E-02 ppm1      3.273 ppm2      1.115 CV     1
 OR { 2926}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 18   and name HB1 ))
 OR { 2926}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HB1 ))
 OR { 2926}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI { 2927}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 23   and name HB  ))
      5.100     3.200     0.900 peak  2927 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.276 ppm2      1.825 CV     1
 OR { 2927}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 23   and name HB  ))
 OR { 2927}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 20   and name HG1 ))
 OR { 2927}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 23   and name HB  ))
 OR { 2927}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 20   and name HG1 ))
 OR { 2927}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 20   and name HG1 ))
 OR { 2927}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI { 2931}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 7    and name HB% )
      5.100     3.200     0.900 peak  2931 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.941 ppm2      1.322 CV     1
 OR { 2931}
   (( segid "    " and resid 24   and name HB1 ))
   (  segid "    " and resid 7    and name HB% )
 OR { 2931}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 7    and name HB% )
 ASSI { 2936}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 23   and name HB  ))
      5.100     3.200     0.900 peak  2936 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.960 ppm2      1.820 CV     1
 OR { 2936}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 23   and name HB  ))
 OR { 2936}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 28   and name HG2 ))
 OR { 2936}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 28   and name HG2 ))
 OR { 2936}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 11   and name HG1 ))
 OR { 2936}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 20   and name HG1 ))
 OR { 2936}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 28   and name HG2 ))
 OR { 2936}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
 OR { 2936}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 2936}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2955}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 25   and name HB2 ))
      5.100     3.200     0.900 peak  2955 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.258 ppm2      2.945 CV     1
 OR { 2955}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 25   and name HB1 ))
 OR { 2955}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 24   and name HB1 ))
 OR { 2955}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 24   and name HB2 ))
 OR { 2955}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 24   and name HB2 ))
 OR { 2955}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 24   and name HB1 ))
 OR { 2955}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 25   and name HB1 ))
 OR { 2955}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 29   and name HB1 ))
 OR { 2955}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 2962}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 17   and name HB1 ))
      5.100     3.200     0.900 peak  2962 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.695 ppm2      3.279 CV     1
 OR { 2962}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 17   and name HB1 ))
 OR { 2962}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 2987}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      5.100     3.200     0.900 peak  2987 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.959 ppm2      4.073 CV     1
 OR { 2987}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
 OR { 2987}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
 OR { 2987}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 OR { 2987}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
 OR { 2987}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 13   and name HA1 ))
 ASSI { 2990}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 10   and name HA  ))
      5.100     3.200     0.900 peak  2990 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.632 ppm2      5.202 CV     1
 OR { 2990}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 3002}
   (( segid "    " and resid 20   and name HD2 ))
   (  segid "    " and resid 21   and name HD% )
      3.700     1.700     1.700 peak  3002 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.529 ppm2      6.984 CV     1
 OR { 3002}
   (( segid "    " and resid 20   and name HD2 ))
   (  segid "    " and resid 25   and name HD% )
 ASSI { 3004}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 25   and name HD% )
      3.700     1.700     1.700 peak  3004 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.704 ppm2      7.005 CV     1
 OR { 3004}
   (( segid "    " and resid 28   and name HD2 ))
   (  segid "    " and resid 25   and name HD% )
 OR { 3004}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 25   and name HD% )
 ASSI { 3012}
   (( segid "    " and resid 13   and name HA2 ))
   (  segid "    " and resid 29   and name HD% )
      3.700     1.700     1.700 peak  3012 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.426 ppm2      7.077 CV     1
 OR { 3012}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 24   and name HH2 ))
 OR { 3012}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 3020}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 24   and name HD1 ))
      3.700     1.700     1.700 peak  3020 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.782 ppm2      7.208 CV     1
 OR { 3020}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 24   and name HD1 ))
 ASSI { 3038}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.300     2.300     3.700 peak  3038 weight  0.10000E+01 volume  0.85060E-02 ppm1      2.960 ppm2      4.789 CV     1
 OR { 3038}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
 OR { 3038}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
 OR { 3038}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
 OR { 3038}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 19   and name HA  ))
 OR { 3038}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
 OR { 3038}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
 OR { 3038}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
 OR { 3038}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
 OR { 3038}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 19   and name HA  ))
 OR { 3038}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
 OR { 3038}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
 OR { 3038}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
 OR { 3038}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 3042}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      5.100     3.200     0.900 peak  3042 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.169 ppm2      4.804 CV     1
 OR { 3042}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 3060}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 14   and name HB  ))
      5.100     3.200     0.900 peak  3060 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.715 ppm2      3.685 CV     1
 OR { 3060}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 28   and name HD2 ))
 OR { 3060}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 3088}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 11   and name HG2 ))
      5.100     3.200     0.900 peak  3088 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.714 ppm2      1.883 CV     1
 OR { 3088}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 28   and name HG1 ))
 OR { 3088}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 3088}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 3090}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 23   and name HB  ))
      5.100     3.200     0.900 peak  3090 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.401 ppm2      1.824 CV     1
 OR { 3090}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 3115}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 15   and name HG2%)
      5.100     3.200     0.900 peak  3115 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.888 ppm2      0.981 CV     1
 OR { 3115}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 3121}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 2    and name HG2%)
      5.100     3.200     0.900 peak  3121 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.783 ppm2      0.717 CV     1
 OR { 3121}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 2    and name HG2%)
 OR { 3121}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 9    and name HG11))
 ASSI { 3143}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 18   and name HD2%)
      5.100     3.200     0.900 peak  3143 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.821 ppm2     -0.445 CV     1
 OR { 3143}
   (( segid "    " and resid 20   and name HG1 ))
   (  segid "    " and resid 18   and name HD2%)
 ASSI { 3156}
   (( segid "    " and resid 28   and name HG1 ))
   (  segid "    " and resid 14   and name HG2%)
      5.100     3.200     0.900 peak  3156 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.874 ppm2      0.747 CV     1
 OR { 3156}
   (( segid "    " and resid 11   and name HG2 ))
   (  segid "    " and resid 14   and name HG2%)
 OR { 3156}
   (( segid "    " and resid 28   and name HB1 ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI { 3159}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 14   and name HG2%)
      5.100     3.200     0.900 peak  3159 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.808 ppm2      0.765 CV     1
 OR { 3159}
   (( segid "    " and resid 11   and name HG1 ))
   (  segid "    " and resid 14   and name HG2%)
 OR { 3159}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 1    and name HG1%)
 ASSI { 3164}
   (  segid "    " and resid 7    and name HB% )
   (  segid "    " and resid 8    and name HG2%)
      5.100     3.200     0.900 peak  3164 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.337 ppm2      0.916 CV     1
 OR { 3164}
   (( segid "    " and resid 9    and name HB  ))
   (  segid "    " and resid 8    and name HG2%)
 OR { 3164}
   (( segid "    " and resid 9    and name HB  ))
   (  segid "    " and resid 2    and name HD1%)
 ASSI { 3171}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 9    and name HD1%)
      5.100     3.200     0.900 peak  3171 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.911 ppm2      0.581 CV     1
 OR { 3171}
   (  segid "    " and resid 2    and name HD1%)
   (  segid "    " and resid 9    and name HD1%)
 ASSI { 3172}
   (  segid "    " and resid 2    and name HD1%)
   (  segid "    " and resid 9    and name HG2%)
      5.100     3.200     0.900 peak  3172 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.914 ppm2      0.357 CV     1
 OR { 3172}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 9    and name HG2%)
 ASSI { 3187}
   (( segid "    " and resid 2    and name HG12))
   (( segid "    " and resid 10   and name HB2 ))
      5.100     3.200     0.900 peak  3187 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.248 ppm2      1.876 CV     1
 OR { 3187}
   (( segid "    " and resid 2    and name HG11))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 3187}
   (( segid "    " and resid 2    and name HG12))
   (( segid "    " and resid 11   and name HG2 ))
 OR { 3187}
   (( segid "    " and resid 2    and name HG11))
   (( segid "    " and resid 11   and name HG2 ))
 OR { 3187}
   (( segid "    " and resid 2    and name HG12))
   (( segid "    " and resid 28   and name HG1 ))
 ASSI { 3197}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 26   and name HB1 ))
      5.100     3.200     0.900 peak  3197 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.884 ppm2      2.986 CV     1
 OR { 3197}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 26   and name HB1 ))
 OR { 3197}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 26   and name HB1 ))
 ASSI { 3201}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 26   and name HB1 ))
      5.100     3.200     0.900 peak  3201 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.516 ppm2      2.968 CV     1
 OR { 3201}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 3204}
   (  segid "    " and resid 7    and name HB% )
   (( segid "    " and resid 5    and name HB1 ))
      5.100     3.200     0.900 peak  3204 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.346 ppm2      2.788 CV     1
 OR { 3204}
   (  segid "    " and resid 7    and name HB% )
   (( segid "    " and resid 16   and name HB2 ))
 ASSI { 3205}
   (  segid "    " and resid 7    and name HB% )
   (( segid "    " and resid 24   and name HB2 ))
      5.100     3.200     0.900 peak  3205 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.337 ppm2      2.945 CV     1
 OR { 3205}
   (  segid "    " and resid 7    and name HB% )
   (( segid "    " and resid 24   and name HB1 ))
 OR { 3205}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 24   and name HB1 ))
 OR { 3205}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 24   and name HB2 ))
 OR { 3205}
   (  segid "    " and resid 7    and name HB% )
   (( segid "    " and resid 25   and name HB1 ))
 OR { 3205}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 25   and name HB2 ))
 OR { 3205}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI { 3207}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 5    and name HB1 ))
      5.100     3.200     0.900 peak  3207 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.295 ppm2      2.785 CV     1
 OR { 3207}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 16   and name HB2 ))
 ASSI { 3211}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 29   and name HB1 ))
      2.500     0.800     0.800 peak  3211 weight  0.10000E+01 volume  0.59699E-02 ppm1      0.972 ppm2      2.922 CV     1
 OR { 3211}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 29   and name HB2 ))
 OR { 3211}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 26   and name HB1 ))
 OR { 3211}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HB1 ))
 OR { 3211}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 3213}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 24   and name HB2 ))
      5.100     3.200     0.900 peak  3213 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.915 ppm2      2.937 CV     1
 OR { 3213}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 24   and name HB1 ))
 OR { 3213}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 25   and name HB1 ))
 OR { 3213}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 3    and name HB2 ))
 OR { 3213}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 3226}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 1    and name HA  ))
      5.100     3.200     0.900 peak  3226 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.515 ppm2      3.752 CV     1
 OR { 3226}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 3233}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 22   and name HA1 ))
      5.100     3.200     0.900 peak  3233 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.114 ppm2      3.273 CV     1
 OR { 3233}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 3234}
   (  segid "    " and resid 7    and name HB% )
   (( segid "    " and resid 6    and name HA  ))
      5.100     3.200     0.900 peak  3234 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.337 ppm2      3.949 CV     1
 OR { 3234}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI { 3235}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 22   and name HA2 ))
      5.100     3.200     0.900 peak  3235 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.122 ppm2      3.882 CV     1
 OR { 3235}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 22   and name HA2 ))
 ASSI { 3238}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 1    and name HA  ))
      5.100     3.200     0.900 peak  3238 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.907 ppm2      3.741 CV     1
 OR { 3238}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 11   and name HD1 ))
 OR { 3238}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 3243}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     2.700     3.300 peak  3243 weight  0.10000E+01 volume  0.35520E-02 ppm1      1.874 ppm2      4.803 CV     1
 OR { 3243}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 14   and name HA  ))
 OR { 3243}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 3244}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 27   and name HA  ))
      5.100     3.200     0.900 peak  3244 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.874 ppm2      4.899 CV     1
 OR { 3244}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 27   and name HA  ))
 OR { 3244}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 27   and name HA  ))
 OR { 3244}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 3245}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 19   and name HA  ))
      2.600     2.600     3.400 peak  3245 weight  0.10000E+01 volume  0.44263E-02 ppm1      1.813 ppm2      4.803 CV     1
 OR { 3245}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 19   and name HA  ))
 OR { 3245}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
 OR { 3245}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 3253}
   (  segid "    " and resid 7    and name HB% )
   (( segid "    " and resid 8    and name HA  ))
      5.100     3.200     0.900 peak  3253 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.337 ppm2      4.219 CV     1
 OR { 3253}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 3261}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
      2.900     2.900     3.100 peak  3261 weight  0.10000E+01 volume  0.22525E-02 ppm1      0.912 ppm2      4.802 CV     1
 OR { 3261}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
 ASSI { 3264}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 24   and name HA  ))
      5.100     3.200     0.900 peak  3264 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.906 ppm2      5.187 CV     1
 OR { 3264}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 10   and name HA  ))
 OR { 3264}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
 OR { 3264}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
 OR { 3264}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 3266}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 25   and name HE% )
      3.700     1.700     1.700 peak  3266 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.821 ppm2      6.447 CV     1
 OR { 3266}
   (( segid "    " and resid 20   and name HG1 ))
   (  segid "    " and resid 25   and name HE% )
 OR { 3266}
   (( segid "    " and resid 28   and name HG2 ))
   (  segid "    " and resid 25   and name HE% )
 ASSI { 3271}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 21   and name HD% )
      2.000     2.000     4.000 peak  3271 weight  0.10000E+01 volume  0.36466E-02 ppm1      1.818 ppm2      7.001 CV     1
 OR { 3271}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 25   and name HD% )
 OR { 3271}
   (( segid "    " and resid 20   and name HG1 ))
   (  segid "    " and resid 21   and name HD% )
 ASSI { 3303}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 24   and name HA  ))
      5.100     3.200     0.900 peak  3303 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.795 ppm2      5.174 CV     1
 OR { 3303}
   (  segid "    " and resid 1    and name HG1%)
   (( segid "    " and resid 10   and name HA  ))
 ASSI { 3304}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 24   and name HA  ))
      5.100     3.200     0.900 peak  3304 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.013 ppm2      5.176 CV     1
 OR { 3304}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 3309}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
      2.500     2.500     3.500 peak  3309 weight  0.10000E+01 volume  0.61826E-02 ppm1      0.714 ppm2      4.798 CV     1
 OR { 3309}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
 OR { 3309}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
 ASSI { 3316}
   (  segid "    " and resid 1    and name HG2%)
   (( segid "    " and resid 2    and name HA  ))
      2.700     2.700     3.300 peak  3316 weight  0.10000E+01 volume  0.34890E-02 ppm1      0.615 ppm2      4.305 CV     1
 OR { 3316}
   (  segid "    " and resid 1    and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
 OR { 3316}
   (  segid "    " and resid 1    and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 3327}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 1    and name HA  ))
      5.100     3.200     0.900 peak  3327 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.729 ppm2      3.746 CV     1
 OR { 3327}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 11   and name HD1 ))
 OR { 3327}
   (( segid "    " and resid 9    and name HG11))
   (( segid "    " and resid 11   and name HD1 ))
 OR { 3327}
   (( segid "    " and resid 9    and name HG11))
   (( segid "    " and resid 1    and name HA  ))
 ASSI { 3328}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 28   and name HD1 ))
      3.500     1.500     1.500 peak  3328 weight  0.10000E+01 volume  0.78759E-03 ppm1      0.760 ppm2      3.887 CV     1
 OR { 3328}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 22   and name HA2 ))
 OR { 3328}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 22   and name HA2 ))
 ASSI { 3332}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 1    and name HA  ))
      5.100     3.200     0.900 peak  3332 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.708 ppm2      3.753 CV     1
 OR { 3332}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 3333}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 10   and name HB1 ))
      5.100     3.200     0.900 peak  3333 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.719 ppm2      3.503 CV     1
 OR { 3333}
   (( segid "    " and resid 9    and name HG11))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI { 3335}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 21   and name HB1 ))
      2.400     2.400     3.600 peak  3335 weight  0.10000E+01 volume  0.64819E-02 ppm1      0.708 ppm2      3.284 CV     1
 OR { 3335}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 22   and name HA1 ))
 OR { 3335}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 3343}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 1    and name HA  ))
      5.100     3.200     0.900 peak  3343 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.348 ppm2      3.740 CV     1
 OR { 3343}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 3348}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 24   and name HB1 ))
      5.100     3.200     0.900 peak  3348 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.789 ppm2      2.958 CV     1
 OR { 3348}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 24   and name HB2 ))
 OR { 3348}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 25   and name HB1 ))
 OR { 3348}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 25   and name HB2 ))
 OR { 3348}
   (  segid "    " and resid 1    and name HG1%)
   (( segid "    " and resid 24   and name HB1 ))
 OR { 3348}
   (  segid "    " and resid 1    and name HG1%)
   (( segid "    " and resid 24   and name HB2 ))
 OR { 3348}
   (  segid "    " and resid 1    and name HG1%)
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 3349}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 25   and name HB1 ))
      5.100     3.200     0.900 peak  3349 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.880 ppm2      2.946 CV     1
 OR { 3349}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 24   and name HB2 ))
 OR { 3349}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 25   and name HB2 ))
 OR { 3349}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 24   and name HB1 ))
 ASSI { 3350}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 3    and name HB2 ))
      5.100     3.200     0.900 peak  3350 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.707 ppm2      2.916 CV     1
 OR { 3350}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 3    and name HB1 ))
 OR { 3350}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 3356}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 11   and name HB2 ))
      2.400     0.700     0.700 peak  3356 weight  0.10000E+01 volume  0.78286E-02 ppm1      0.760 ppm2      2.175 CV     1
 OR { 3356}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 3368}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 11   and name HG2 ))
      6.000     6.000     0.000 peak  3368 weight  0.10000E+01 volume  0.78759E-05 ppm1      0.906 ppm2      1.859 CV     1
 OR { 3368}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 28   and name HB1 ))
 OR { 3368}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 28   and name HG1 ))
 OR { 3368}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 11   and name HG2 ))
 OR { 3368}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 28   and name HG2 ))
 OR { 3368}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 28   and name HG1 ))
 OR { 3368}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 28   and name HG2 ))
 ASSI { 3412}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 18   and name HD2%)
      5.100     3.200     0.900 peak  3412 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.709 ppm2     -0.432 CV     1
 OR { 3412}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 18   and name HD2%)
 ASSI { 3418}
   (  segid "    " and resid 18   and name HD2%)
   (  segid "    " and resid 8    and name HG2%)
      5.100     3.200     0.900 peak  3418 weight  0.10000E+01 volume  0.78759E-04 ppm1     -0.436 ppm2      0.908 CV     1
 OR { 3418}
   (  segid "    " and resid 18   and name HD2%)
   (  segid "    " and resid 2    and name HD1%)
 ASSI { 3422}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 24   and name HB2 ))
      5.100     3.200     0.900 peak  3422 weight  0.10000E+01 volume  0.78759E-04 ppm1     -0.435 ppm2      2.950 CV     1
 OR { 3422}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 24   and name HB1 ))
 OR { 3422}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 25   and name HB1 ))
 OR { 3422}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 3455}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      5.100     3.200     0.900 peak  3455 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.926 ppm2      4.096 CV     1
 OR { 3455}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
 OR { 3455}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 3458}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.700     1.700     1.700 peak  3458 weight  0.10000E+01 volume  0.78759E-04 ppm1      9.250 ppm2      2.942 CV     1
 OR { 3458}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
 OR { 3458}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
 OR { 3458}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 OR { 3458}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
 ASSI { 3462}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
      3.700     1.700     1.700 peak  3462 weight  0.10000E+01 volume  0.78759E-04 ppm1      9.741 ppm2      0.900 CV     1
 OR { 3462}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI { 3464}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
      5.100     3.200     0.900 peak  3464 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.787 ppm2     -0.447 CV     1
 OR { 3464}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 18   and name HD2%)
 ASSI { 1474}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      6.000     5.300     0.000 peak  1474 weight  0.10000E+01 volume  0.10803E-04 ppm1      9.150 ppm2      0.758 CV     1
 ASSI { 1475}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      6.000     5.300     0.000 peak  1475 weight  0.10000E+01 volume  0.10803E-04 ppm1      9.149 ppm2      0.965 CV     1
 ASSI { 1482}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.900     1.100     1.100 peak  1482 weight  0.10000E+01 volume  0.13828E-02 ppm1      9.252 ppm2      2.598 CV     1
 ASSI { 1491}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 25   and name HD% )
      6.000     6.000     0.000 peak  1491 weight  0.10000E+01 volume  0.10803E-04 ppm1      9.257 ppm2      7.004 CV     1
 ASSI { 1492}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 24   and name HZ3 ))
      6.000     5.300     0.000 peak  1492 weight  0.10000E+01 volume  0.10803E-04 ppm1      9.257 ppm2      6.688 CV     1
 ASSI { 1497}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     6.000     0.000 peak  1497 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.678 ppm2      7.997 CV     1
 ASSI { 1506}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 24   and name HZ3 ))
      6.000     5.300     0.000 peak  1506 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.341 ppm2      6.688 CV     1
 ASSI { 1519}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.000     0.500     0.500 peak  1519 weight  0.10000E+01 volume  0.13504E-01 ppm1      8.542 ppm2      4.094 CV     1
 ASSI { 1520}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.000     0.500     0.500 peak  1520 weight  0.10000E+01 volume  0.13072E-01 ppm1      8.424 ppm2      4.192 CV     1
 ASSI { 1536}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      6.000     5.300     0.000 peak  1536 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.544 ppm2      0.936 CV     1
 ASSI { 1547}
   (( segid "    " and resid 24   and name HE3 ))
   (  segid "    " and resid 18   and name HD1%)
      6.000     5.300     0.000 peak  1547 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.311 ppm2      0.057 CV     1
 ASSI { 1551}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 18   and name HG  ))
      3.600     1.600     1.600 peak  1551 weight  0.10000E+01 volume  0.40510E-03 ppm1      7.314 ppm2      0.785 CV     1
 ASSI { 1553}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      6.000     5.300     0.000 peak  1553 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.244 ppm2      0.707 CV     1
 ASSI { 1557}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 18   and name HB2 ))
      6.000     4.800     0.000 peak  1557 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.317 ppm2      1.080 CV     1
 OR { 1557}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR { 1557}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 18   and name HB1 ))
 OR { 1557}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI { 1573}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.000     1.100     1.100 peak  1573 weight  0.10000E+01 volume  0.11775E-02 ppm1      7.586 ppm2      4.825 CV     1
 ASSI { 1575}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 14   and name HA  ))
      6.000     5.300     0.000 peak  1575 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.086 ppm2      4.802 CV     1
 ASSI { 1576}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 27   and name HA  ))
      6.000     5.300     0.000 peak  1576 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.006 ppm2      4.877 CV     1
 ASSI { 1587}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak  1587 weight  0.10000E+01 volume  0.63413E-02 ppm1      7.864 ppm2      7.235 CV     1
 ASSI { 1592}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     6.000     0.000 peak  1592 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.309 ppm2      8.339 CV     1
 ASSI { 1593}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 29   and name HN  ))
      6.000     6.000     0.000 peak  1593 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.081 ppm2      7.996 CV     1
 ASSI { 1594}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     6.000     0.000 peak  1594 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.873 ppm2      9.099 CV     1
 ASSI { 1607}
   (( segid "    " and resid 24   and name HZ3 ))
   (( segid "    " and resid 18   and name HB2 ))
      5.900     4.400     0.100 peak  1607 weight  0.10000E+01 volume  0.10803E-04 ppm1      6.687 ppm2      1.080 CV     1
 OR { 1607}
   (( segid "    " and resid 24   and name HZ3 ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI { 1642}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      3.500     1.500     1.500 peak  1642 weight  0.10000E+01 volume  0.46776E-03 ppm1      3.024 ppm2      7.723 CV     1
 ASSI { 1652}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 26   and name HB2 ))
      5.900     4.400     0.100 peak  1652 weight  0.10000E+01 volume  0.10803E-04 ppm1      3.545 ppm2      2.721 CV     1
 ASSI { 1661}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 15   and name HG2%)
      5.900     4.400     0.100 peak  1661 weight  0.10000E+01 volume  0.10803E-04 ppm1      3.699 ppm2      0.964 CV     1
 ASSI { 1663}
   (( segid "    " and resid 13   and name HA2 ))
   (  segid "    " and resid 2    and name HD1%)
      5.900     4.400     0.100 peak  1663 weight  0.10000E+01 volume  0.10803E-04 ppm1      3.444 ppm2      0.933 CV     1
 ASSI { 1693}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 21   and name HD% )
      3.500     1.600     1.600 peak  1693 weight  0.10000E+01 volume  0.44292E-03 ppm1      1.129 ppm2      6.981 CV     1
 ASSI { 1697}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 27   and name HA  ))
      5.900     4.400     0.100 peak  1697 weight  0.10000E+01 volume  0.10803E-04 ppm1      1.879 ppm2      4.876 CV     1
 OR { 1697}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI { 1711}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 26   and name HB1 ))
      5.900     4.400     0.100 peak  1711 weight  0.10000E+01 volume  0.10803E-04 ppm1      1.525 ppm2      3.000 CV     1
 ASSI { 1739}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      6.000     5.300     0.000 peak  1739 weight  0.10000E+01 volume  0.10803E-04 ppm1      9.149 ppm2      5.152 CV     1
 ASSI { 1746}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak  1746 weight  0.10000E+01 volume  0.20526E-02 ppm1      8.419 ppm2      4.429 CV     1
 ASSI { 1747}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     6.000     0.000 peak  1747 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.245 ppm2      7.064 CV     1
 ASSI { 1757}
   (( segid "    " and resid 24   and name HZ3 ))
   (( segid "    " and resid 16   and name HB1 ))
      2.600     2.600     3.400 peak  1757 weight  0.10000E+01 volume  0.14584E-02 ppm1      6.687 ppm2      2.901 CV     1
 ASSI { 1762}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 25   and name HB1 ))
      5.900     4.400     0.100 peak  1762 weight  0.10000E+01 volume  0.10803E-04 ppm1      0.861 ppm2      2.932 CV     1
 OR { 1762}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 1766}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     6.000     0.000 peak  1766 weight  0.10000E+01 volume  0.10803E-04 ppm1      9.253 ppm2      8.577 CV     1
 ASSI { 1769}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 25   and name HE% )
      6.000     6.000     0.000 peak  1769 weight  0.10000E+01 volume  0.10803E-04 ppm1      9.257 ppm2      6.439 CV     1
 ASSI { 1780}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 25   and name HE% )
      6.000     6.000     0.000 peak  1780 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.579 ppm2      6.444 CV     1
 ASSI { 1782}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HE3 ))
      6.000     6.000     0.000 peak  1782 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.543 ppm2      7.318 CV     1
 OR { 1782}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HZ2 ))
 ASSI { 1785}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 15   and name HN  ))
      6.000     6.000     0.000 peak  1785 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.081 ppm2      8.679 CV     1
 ASSI { 1788}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 14   and name HN  ))
      6.000     6.000     0.000 peak  1788 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.164 ppm2      7.601 CV     1
 ASSI { 1790}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 22   and name HN  ))
      6.000     6.000     0.000 peak  1790 weight  0.10000E+01 volume  0.10803E-04 ppm1      6.984 ppm2      7.872 CV     1
 ASSI { 1795}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      6.000     5.300     0.000 peak  1795 weight  0.10000E+01 volume  0.10803E-04 ppm1      9.095 ppm2      5.149 CV     1
 ASSI { 1798}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     6.000     0.000 peak  1798 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.307 ppm2      9.713 CV     1
 ASSI { 1799}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.300     2.300     3.700 peak  1799 weight  0.10000E+01 volume  0.54014E-02 ppm1      8.582 ppm2      2.447 CV     1
 ASSI { 1801}
   (( segid "    " and resid 24   and name HE1 ))
   (( segid "    " and resid 24   and name HZ2 ))
      3.600     1.600     1.600 peak  1801 weight  0.10000E+01 volume  0.40078E-03 ppm1      9.922 ppm2      7.332 CV     1
 OR { 1801}
   (( segid "    " and resid 24   and name HE1 ))
   (( segid "    " and resid 24   and name HE3 ))
 ASSI { 1808}
   (( segid "    " and resid 24   and name HE1 ))
   (  segid "    " and resid 18   and name HD2%)
      3.100     1.200     1.200 peak  1808 weight  0.10000E+01 volume  0.10123E-02 ppm1      9.918 ppm2     -0.445 CV     1
 ASSI { 1809}
   (( segid "    " and resid 24   and name HE1 ))
   (  segid "    " and resid 18   and name HD1%)
      6.000     5.300     0.000 peak  1809 weight  0.10000E+01 volume  0.10803E-04 ppm1      9.924 ppm2      0.044 CV     1
 ASSI { 1810}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HD2%)
      2.700     0.900     0.900 peak  1810 weight  0.10000E+01 volume  0.21497E-02 ppm1      9.102 ppm2     -0.440 CV     1
 ASSI { 1811}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      3.400     3.400     2.600 peak  1811 weight  0.10000E+01 volume  0.54122E-03 ppm1      9.098 ppm2      0.051 CV     1
 ASSI { 1812}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 18   and name HD2%)
      3.400     1.400     1.400 peak  1812 weight  0.10000E+01 volume  0.58228E-03 ppm1      8.545 ppm2     -0.438 CV     1
 ASSI { 1813}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      6.000     5.300     0.000 peak  1813 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.539 ppm2      0.031 CV     1
 ASSI { 1816}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 9    and name HG2%)
      3.000     1.100     1.100 peak  1816 weight  0.10000E+01 volume  0.11884E-02 ppm1      8.425 ppm2      0.392 CV     1
 ASSI { 1819}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HG  ))
      3.300     3.300     2.700 peak  1819 weight  0.10000E+01 volume  0.65142E-03 ppm1      9.096 ppm2      0.775 CV     1
 ASSI { 1820}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.400     1.400     1.400 peak  1820 weight  0.10000E+01 volume  0.54878E-03 ppm1      9.097 ppm2      1.087 CV     1
 OR { 1820}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 1821}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      2.900     2.900     3.100 peak  1821 weight  0.10000E+01 volume  0.14908E-02 ppm1      8.976 ppm2      1.520 CV     1
 ASSI { 1833}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      2.700     0.900     0.900 peak  1833 weight  0.10000E+01 volume  0.23010E-02 ppm1      8.674 ppm2      0.969 CV     1
 ASSI { 1835}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      2.800     2.800     3.200 peak  1835 weight  0.10000E+01 volume  0.15988E-02 ppm1      8.543 ppm2      0.705 CV     1
 ASSI { 1836}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
      2.500     0.800     0.800 peak  1836 weight  0.10000E+01 volume  0.37486E-02 ppm1      8.540 ppm2      0.857 CV     1
 ASSI { 1841}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB  ))
      2.700     0.900     0.900 peak  1841 weight  0.10000E+01 volume  0.24307E-02 ppm1      8.428 ppm2      1.407 CV     1
 ASSI { 1842}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG11))
      2.800     2.800     3.200 peak  1842 weight  0.10000E+01 volume  0.19445E-02 ppm1      8.424 ppm2      1.186 CV     1
 OR { 1842}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG12))
 ASSI { 1843}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      2.900     2.900     3.100 peak  1843 weight  0.10000E+01 volume  0.13719E-02 ppm1      8.540 ppm2      1.807 CV     1
 ASSI { 1845}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.800     1.000     1.000 peak  1845 weight  0.10000E+01 volume  0.18905E-02 ppm1      8.579 ppm2      2.174 CV     1
 ASSI { 1847}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.000     1.200     1.200 peak  1847 weight  0.10000E+01 volume  0.10576E-02 ppm1      8.895 ppm2      2.444 CV     1
 ASSI { 1850}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.800     1.000     1.000 peak  1850 weight  0.10000E+01 volume  0.15880E-02 ppm1      9.253 ppm2      3.284 CV     1
 ASSI { 1852}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.400     1.500     1.500 peak  1852 weight  0.10000E+01 volume  0.51530E-03 ppm1      9.151 ppm2      2.716 CV     1
 ASSI { 1855}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      2.100     0.600     0.600 peak  1855 weight  0.10000E+01 volume  0.87179E-02 ppm1      8.979 ppm2      2.941 CV     1
 OR { 1855}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
 ASSI { 1857}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.600     0.800     0.800 peak  1857 weight  0.10000E+01 volume  0.29924E-02 ppm1      8.578 ppm2      2.603 CV     1
 ASSI { 1860}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.100     0.500     0.500 peak  1860 weight  0.10000E+01 volume  0.10197E-01 ppm1      8.539 ppm2      2.970 CV     1
 OR { 1860}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI { 1864}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HD1 ))
      2.900     2.900     3.100 peak  1864 weight  0.10000E+01 volume  0.12963E-02 ppm1      9.100 ppm2      3.852 CV     1
 ASSI { 1866}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      2.800     1.000     1.000 peak  1866 weight  0.10000E+01 volume  0.18149E-02 ppm1      9.099 ppm2      4.357 CV     1
 ASSI { 1867}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.000     0.500     0.500 peak  1867 weight  0.10000E+01 volume  0.13828E-01 ppm1      8.976 ppm2      4.262 CV     1
 ASSI { 1868}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA1 ))
      2.400     0.700     0.700 peak  1868 weight  0.10000E+01 volume  0.44184E-02 ppm1      8.895 ppm2      4.075 CV     1
 ASSI { 1884}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      6.000     5.300     0.000 peak  1884 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.426 ppm2      4.535 CV     1
 ASSI { 1886}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.700     0.900     0.900 peak  1886 weight  0.10000E+01 volume  0.22794E-02 ppm1      9.145 ppm2      4.879 CV     1
 ASSI { 1887}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.800     1.000     1.000 peak  1887 weight  0.10000E+01 volume  0.18040E-02 ppm1      8.977 ppm2      4.673 CV     1
 ASSI { 1891}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.200     0.600     0.600 peak  1891 weight  0.10000E+01 volume  0.77889E-02 ppm1      8.678 ppm2      4.807 CV     1
 ASSI { 1893}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.800     0.900     0.900 peak  1893 weight  0.10000E+01 volume  0.19445E-02 ppm1      8.536 ppm2      5.156 CV     1
 ASSI { 1894}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.300     0.600     0.600 peak  1894 weight  0.10000E+01 volume  0.62981E-02 ppm1      8.576 ppm2      4.936 CV     1
 ASSI { 1896}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 25   and name HE% )
      3.400     1.500     1.500 peak  1896 weight  0.10000E+01 volume  0.93553E-03 ppm1      9.102 ppm2      6.438 CV     1
 ASSI { 1898}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HD2 ))
      3.300     1.300     1.300 peak  1898 weight  0.10000E+01 volume  0.12423E-02 ppm1      8.979 ppm2      7.163 CV     1
 ASSI { 1900}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HD1 ))
      3.000     1.100     1.100 peak  1900 weight  0.10000E+01 volume  0.21606E-02 ppm1      8.539 ppm2      7.195 CV     1
 ASSI { 1901}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 25   and name HD% )
      3.000     1.100     1.100 peak  1901 weight  0.10000E+01 volume  0.20201E-02 ppm1      8.576 ppm2      7.001 CV     1
 ASSI { 1903}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.800     0.800 peak  1903 weight  0.10000E+01 volume  0.50774E-02 ppm1      8.894 ppm2      7.596 CV     1
 ASSI { 1904}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     6.000     0.000 peak  1904 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.423 ppm2      7.779 CV     1
 ASSI { 1906}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     6.000     0.000 peak  1906 weight  0.10000E+01 volume  0.10803E-04 ppm1      9.258 ppm2      8.346 CV     1
 ASSI { 1907}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.900     1.000     1.000 peak  1907 weight  0.10000E+01 volume  0.26035E-02 ppm1      9.151 ppm2      8.673 CV     1
 ASSI { 1909}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     6.000     0.000 peak  1909 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.675 ppm2      8.425 CV     1
 ASSI { 1912}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     6.000     0.000 peak  1912 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.898 ppm2      8.586 CV     1
 ASSI { 1913}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     6.000     0.000 peak  1913 weight  0.10000E+01 volume  0.10803E-04 ppm1      9.151 ppm2      8.580 CV     1
 ASSI { 1921}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     6.000     0.000 peak  1921 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.578 ppm2      9.718 CV     1
 ASSI { 1922}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     6.000     0.000 peak  1922 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.543 ppm2      9.720 CV     1
 ASSI { 1925}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.000     1.100     1.100 peak  1925 weight  0.10000E+01 volume  0.22902E-02 ppm1      7.735 ppm2      8.276 CV     1
 ASSI { 1931}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.800     1.000     1.000 peak  1931 weight  0.10000E+01 volume  0.18473E-02 ppm1      8.000 ppm2      4.821 CV     1
 ASSI { 1934}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.200     2.200     3.800 peak  1934 weight  0.10000E+01 volume  0.79401E-02 ppm1      8.033 ppm2      4.532 CV     1
 ASSI { 1935}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.500     0.800     0.800 peak  1935 weight  0.10000E+01 volume  0.30897E-02 ppm1      7.738 ppm2      4.403 CV     1
 ASSI { 1936}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.300     1.400     1.400 peak  1936 weight  0.10000E+01 volume  0.65466E-03 ppm1      7.783 ppm2      4.408 CV     1
 ASSI { 1937}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     5.300     0.000 peak  1937 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.875 ppm2      4.354 CV     1
 ASSI { 1939}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak  1939 weight  0.10000E+01 volume  0.24307E-02 ppm1      8.273 ppm2      3.929 CV     1
 ASSI { 1940}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.600     0.800     0.800 peak  1940 weight  0.10000E+01 volume  0.30140E-02 ppm1      8.271 ppm2      4.123 CV     1
 ASSI { 1941}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.800     1.000     1.000 peak  1941 weight  0.10000E+01 volume  0.17825E-02 ppm1      8.032 ppm2      3.693 CV     1
 OR { 1941}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI { 1944}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.000     1.000 peak  1944 weight  0.10000E+01 volume  0.15341E-02 ppm1      7.737 ppm2      3.929 CV     1
 ASSI { 1945}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.900     1.100     1.100 peak  1945 weight  0.10000E+01 volume  0.13719E-02 ppm1      7.783 ppm2      4.211 CV     1
 ASSI { 1946}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
      2.600     0.900     0.900 peak  1946 weight  0.10000E+01 volume  0.25711E-02 ppm1      7.781 ppm2      3.484 CV     1
 ASSI { 1954}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.900     1.100     1.100 peak  1954 weight  0.10000E+01 volume  0.13395E-02 ppm1      7.999 ppm2      2.175 CV     1
 ASSI { 1955}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.300     1.400     1.400 peak  1955 weight  0.10000E+01 volume  0.62117E-03 ppm1      7.869 ppm2      2.409 CV     1
 ASSI { 1960}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      3.100     1.200     1.200 peak  1960 weight  0.10000E+01 volume  0.91608E-03 ppm1      7.786 ppm2      0.932 CV     1
 ASSI { 1965}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG  ))
      6.000     5.300     0.000 peak  1965 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.344 ppm2      0.765 CV     1
 ASSI { 1967}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      6.000     5.300     0.000 peak  1967 weight  0.10000E+01 volume  0.10803E-04 ppm1      8.349 ppm2      0.082 CV     1
 ASSI { 1968}
   (( segid "    " and resid 24   and name HD1 ))
   (  segid "    " and resid 18   and name HD2%)
      3.100     1.200     1.200 peak  1968 weight  0.10000E+01 volume  0.98847E-03 ppm1      7.192 ppm2     -0.439 CV     1
 ASSI { 1971}
   (  segid "    " and resid 25   and name HD% )
   (  segid "    " and resid 18   and name HD2%)
      3.700     1.700     1.700 peak  1971 weight  0.10000E+01 volume  0.35218E-03 ppm1      7.006 ppm2     -0.433 CV     1
 ASSI { 1972}
   (( segid "    " and resid 24   and name HZ3 ))
   (  segid "    " and resid 18   and name HD2%)
      3.200     1.300     1.300 peak  1972 weight  0.10000E+01 volume  0.39863E-03 ppm1      6.695 ppm2     -0.443 CV     1
 ASSI { 1973}
   (  segid "    " and resid 25   and name HE% )
   (  segid "    " and resid 18   and name HD2%)
      4.100     2.100     1.900 peak  1973 weight  0.10000E+01 volume  0.16744E-03 ppm1      6.435 ppm2     -0.424 CV     1
 ASSI { 1977}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
      3.000     1.100     1.100 peak  1977 weight  0.10000E+01 volume  0.11451E-02 ppm1      7.060 ppm2      0.862 CV     1
 ASSI { 1982}
   (( segid "    " and resid 24   and name HD1 ))
   (  segid "    " and resid 23   and name HG1%)
      3.700     3.700     2.300 peak  1982 weight  0.10000E+01 volume  0.35109E-03 ppm1      7.198 ppm2      0.851 CV     1
 ASSI { 1984}
   (  segid "    " and resid 25   and name HE% )
   (  segid "    " and resid 23   and name HG1%)
      3.600     1.600     1.600 peak  1984 weight  0.10000E+01 volume  0.39431E-03 ppm1      6.447 ppm2      0.867 CV     1
 ASSI { 1991}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.500     0.800     0.800 peak  1991 weight  0.10000E+01 volume  0.36730E-02 ppm1      7.239 ppm2      2.412 CV     1
 ASSI { 1993}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      2.300     0.700     0.700 peak  1993 weight  0.10000E+01 volume  0.57903E-02 ppm1      7.057 ppm2      1.811 CV     1
 ASSI { 1996}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 21   and name HB2 ))
      2.400     0.700     0.700 peak  1996 weight  0.10000E+01 volume  0.47532E-02 ppm1      6.980 ppm2      2.413 CV     1
 ASSI { 1997}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      6.000     5.300     0.000 peak  1997 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.060 ppm2      2.415 CV     1
 ASSI { 2006}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HD2 ))
      2.800     1.000     1.000 peak  2006 weight  0.10000E+01 volume  0.17069E-02 ppm1      7.239 ppm2      3.533 CV     1
 ASSI { 2011}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 20   and name HD2 ))
      3.600     1.600     1.600 peak  2011 weight  0.10000E+01 volume  0.40510E-03 ppm1      6.719 ppm2      3.531 CV     1
 ASSI { 2018}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 13   and name HA2 ))
      6.000     5.300     0.000 peak  2018 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.080 ppm2      3.441 CV     1
 ASSI { 2021}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 27   and name HB1 ))
      3.100     1.200     1.200 peak  2021 weight  0.10000E+01 volume  0.96469E-03 ppm1      6.441 ppm2      3.605 CV     1
 ASSI { 2027}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 20   and name HD1 ))
      6.000     5.300     0.000 peak  2027 weight  0.10000E+01 volume  0.10803E-04 ppm1      6.723 ppm2      3.851 CV     1
 ASSI { 2028}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 21   and name HA  ))
      2.500     0.800     0.800 peak  2028 weight  0.10000E+01 volume  0.36082E-02 ppm1      6.981 ppm2      4.528 CV     1
 ASSI { 2030}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      3.300     1.400     1.400 peak  2030 weight  0.10000E+01 volume  0.63305E-03 ppm1      7.060 ppm2      4.352 CV     1
 ASSI { 2032}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      2.900     2.900     3.100 peak  2032 weight  0.10000E+01 volume  0.14584E-02 ppm1      7.241 ppm2      4.354 CV     1
 ASSI { 2033}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.800     0.800 peak  2033 weight  0.10000E+01 volume  0.29168E-02 ppm1      7.242 ppm2      4.518 CV     1
 ASSI { 2034}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.100     1.200     1.200 peak  2034 weight  0.10000E+01 volume  0.96146E-03 ppm1      7.243 ppm2      4.183 CV     1
 ASSI { 2039}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 13   and name HA1 ))
      6.000     5.300     0.000 peak  2039 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.175 ppm2      4.070 CV     1
 ASSI { 2045}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA2 ))
      2.900     1.100     1.100 peak  2045 weight  0.10000E+01 volume  0.13828E-02 ppm1      7.060 ppm2      3.916 CV     1
 ASSI { 2049}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 15   and name HA  ))
      3.700     1.700     1.700 peak  2049 weight  0.10000E+01 volume  0.34569E-03 ppm1      7.166 ppm2      4.434 CV     1
 ASSI { 2051}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 24   and name HA  ))
      2.400     0.700     0.700 peak  2051 weight  0.10000E+01 volume  0.45588E-02 ppm1      7.305 ppm2      5.142 CV     1
 OR { 2051}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI { 2053}
   (  segid "    " and resid 25   and name HD% )
   (  segid "    " and resid 25   and name HE% )
      2.100     0.500     0.500 peak  2053 weight  0.10000E+01 volume  0.18040E-01 ppm1      7.005 ppm2      6.441 CV     1
 ASSI { 2056}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 24   and name HZ3 ))
      2.200     0.600     0.600 peak  2056 weight  0.10000E+01 volume  0.83182E-02 ppm1      7.309 ppm2      6.671 CV     1
 OR { 2056}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 24   and name HZ3 ))
 ASSI { 2058}
   (( segid "    " and resid 24   and name HZ3 ))
   (( segid "    " and resid 24   and name HH2 ))
      2.400     0.700     0.700 peak  2058 weight  0.10000E+01 volume  0.47100E-02 ppm1      6.672 ppm2      7.067 CV     1
 ASSI { 2059}
   (  segid "    " and resid 21   and name HE% )
   (  segid "    " and resid 21   and name HD% )
      2.100     0.500     0.500 peak  2059 weight  0.10000E+01 volume  0.20418E-01 ppm1      6.717 ppm2      6.980 CV     1
 ASSI { 2064}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 24   and name HH2 ))
      2.100     0.500     0.500 peak  2064 weight  0.10000E+01 volume  0.10230E-01 ppm1      7.340 ppm2      7.070 CV     1
 ASSI { 2065}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 24   and name HZ2 ))
      2.000     0.500     0.500 peak  2065 weight  0.10000E+01 volume  0.11991E-01 ppm1      7.069 ppm2      7.333 CV     1
 OR { 2065}
   (( segid "    " and resid 24   and name HH2 ))
   (( segid "    " and resid 24   and name HE3 ))
 ASSI { 2067}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.800     1.000     1.000 peak  2067 weight  0.10000E+01 volume  0.34569E-02 ppm1      7.057 ppm2      7.871 CV     1
 ASSI { 2072}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     6.000     0.000 peak  2072 weight  0.10000E+01 volume  0.10803E-04 ppm1      7.302 ppm2      9.104 CV     1
 ASSI { 2074}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak  2074 weight  0.10000E+01 volume  0.16852E-02 ppm1      7.060 ppm2      9.087 CV     1
 ASSI { 2078}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 24   and name HE1 ))
      2.500     0.800     0.800 peak  2078 weight  0.10000E+01 volume  0.37486E-02 ppm1      7.335 ppm2      9.924 CV     1
 ASSI { 2079}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 24   and name HE1 ))
      2.400     0.700     0.700 peak  2079 weight  0.10000E+01 volume  0.73784E-02 ppm1      7.201 ppm2      9.915 CV     1
 ASSI { 2081}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 25   and name HN  ))
      4.400     2.400     1.600 peak  2081 weight  0.10000E+01 volume  0.20633E-03 ppm1      6.440 ppm2      9.712 CV     1
 ASSI { 2082}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 17   and name HB2 ))
      3.600     1.600     1.600 peak  2082 weight  0.10000E+01 volume  0.37594E-03 ppm1      6.438 ppm2      2.619 CV     1
 ASSI { 2085}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     5.300     0.000 peak  2085 weight  0.10000E+01 volume  0.10803E-04 ppm1      4.292 ppm2      8.576 CV     1
 ASSI { 2091}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.100     1.100 peak  2091 weight  0.10000E+01 volume  0.11235E-02 ppm1      4.013 ppm2      9.094 CV     1
 ASSI { 2094}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak  2094 weight  0.10000E+01 volume  0.41051E-02 ppm1      3.450 ppm2      8.890 CV     1
 ASSI { 2100}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      3.100     1.200     1.200 peak  2100 weight  0.10000E+01 volume  0.10414E-02 ppm1      3.766 ppm2      8.664 CV     1
 ASSI { 2109}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.100     1.200     1.200 peak  2109 weight  0.10000E+01 volume  0.96794E-03 ppm1      3.452 ppm2      7.589 CV     1
 ASSI { 2110}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 25   and name HE% )
      3.300     1.400     1.400 peak  2110 weight  0.10000E+01 volume  0.60821E-03 ppm1      4.015 ppm2      6.441 CV     1
 ASSI { 2113}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     5.300     0.000 peak  2113 weight  0.10000E+01 volume  0.10803E-04 ppm1      4.014 ppm2      7.062 CV     1
 ASSI { 2115}
   (( segid "    " and resid 20   and name HD1 ))
   (( segid "    " and resid 21   and name HN  ))
      3.700     1.700     1.700 peak  2115 weight  0.10000E+01 volume  0.34677E-03 ppm1      3.851 ppm2      7.237 CV     1
 ASSI { 2133}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HE3 ))
      2.600     0.800     0.800 peak  2133 weight  0.10000E+01 volume  0.28736E-02 ppm1      2.960 ppm2      7.307 CV     1
 OR { 2133}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HE3 ))
 OR { 2133}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HZ2 ))
 ASSI { 2136}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 29   and name HD% )
      2.600     0.900     0.900 peak  2136 weight  0.10000E+01 volume  0.25063E-02 ppm1      2.945 ppm2      7.083 CV     1
 ASSI { 2138}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 25   and name HD% )
      2.100     0.500     0.500 peak  2138 weight  0.10000E+01 volume  0.10738E-01 ppm1      2.929 ppm2      6.995 CV     1
 OR { 2138}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 25   and name HD% )
 ASSI { 2152}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     5.300     0.000 peak  2152 weight  0.10000E+01 volume  0.10803E-04 ppm1      2.916 ppm2      8.575 CV     1
 OR { 2152}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 2153}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak  2153 weight  0.10000E+01 volume  0.16420E-02 ppm1      2.800 ppm2      8.430 CV     1
 ASSI { 2156}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      3.300     1.400     1.400 peak  2156 weight  0.10000E+01 volume  0.61253E-03 ppm1      2.991 ppm2      9.143 CV     1
 ASSI { 2159}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.100     1.200     1.200 peak  2159 weight  0.10000E+01 volume  0.98847E-03 ppm1      2.801 ppm2      9.243 CV     1
 ASSI { 2162}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     2.700     3.300 peak  2162 weight  0.10000E+01 volume  0.21174E-02 ppm1      2.594 ppm2      8.890 CV     1
 ASSI { 2166}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.400     0.700     0.700 peak  2166 weight  0.10000E+01 volume  0.42239E-02 ppm1      2.717 ppm2      8.571 CV     1
 ASSI { 2183}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 21   and name HE% )
      3.500     1.500     1.500 peak  2183 weight  0.10000E+01 volume  0.47317E-03 ppm1      2.417 ppm2      6.716 CV     1
 ASSI { 2187}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
      3.500     1.500     1.500 peak  2187 weight  0.10000E+01 volume  0.46344E-03 ppm1      2.107 ppm2      7.242 CV     1
 ASSI { 2193}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.500     1.500     1.500 peak  2193 weight  0.10000E+01 volume  0.46128E-03 ppm1      1.750 ppm2      7.234 CV     1
 ASSI { 2202}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.000     1.100     1.100 peak  2202 weight  0.10000E+01 volume  0.12423E-02 ppm1      1.133 ppm2      7.235 CV     1
 ASSI { 2203}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 29   and name HE% )
      3.300     1.400     1.400 peak  2203 weight  0.10000E+01 volume  0.60928E-03 ppm1      0.969 ppm2      7.168 CV     1
 ASSI { 2210}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
      2.400     0.700     0.700 peak  2210 weight  0.10000E+01 volume  0.43320E-02 ppm1      0.704 ppm2      7.068 CV     1
 ASSI { 2218}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 6    and name HN  ))
      2.300     0.600     0.600 peak  2218 weight  0.10000E+01 volume  0.61360E-02 ppm1      1.263 ppm2      8.246 CV     1
 ASSI { 2219}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.500     0.800     0.800 peak  2219 weight  0.10000E+01 volume  0.37378E-02 ppm1      1.078 ppm2      8.328 CV     1
 OR { 2219}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2222}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak  2222 weight  0.10000E+01 volume  0.40942E-03 ppm1      0.707 ppm2      7.874 CV     1
 ASSI { 2242}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak  2242 weight  0.10000E+01 volume  0.15880E-02 ppm1      0.761 ppm2      8.674 CV     1
 ASSI { 2245}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
      2.600     0.900     0.900 peak  2245 weight  0.10000E+01 volume  0.25386E-02 ppm1      0.725 ppm2      8.981 CV     1
 ASSI { 2253}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 18   and name HN  ))
      3.600     1.600     1.600 peak  2253 weight  0.10000E+01 volume  0.39863E-03 ppm1     -0.442 ppm2      8.344 CV     1
 ASSI { 2255}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 24   and name HZ2 ))
      2.900     1.100     1.100 peak  2255 weight  0.10000E+01 volume  0.80157E-03 ppm1      0.050 ppm2      7.322 CV     1
 OR { 2255}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 24   and name HE3 ))
 ASSI { 2257}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 24   and name HE3 ))
      2.800     1.000     1.000 peak  2257 weight  0.10000E+01 volume  0.11991E-02 ppm1     -0.437 ppm2      7.323 CV     1
 OR { 2257}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 24   and name HZ2 ))
 ASSI { 2160}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 1    and name HG1%)
      1.800     0.400     0.400 peak  2160 weight  0.10000E+01 volume  0.42058E-01 ppm1      3.755 ppm2      0.789 CV     1
 ASSI { 2162}
   (( segid "    " and resid 1    and name HB  ))
   (  segid "    " and resid 1    and name HG2%)
      5.100     3.200     0.900 peak  2162 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.954 ppm2      0.619 CV     1
 ASSI { 2163}
   (( segid "    " and resid 1    and name HB  ))
   (  segid "    " and resid 1    and name HG1%)
      5.100     3.200     0.900 peak  2163 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.953 ppm2      0.790 CV     1
 ASSI { 2164}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 1    and name HA  ))
      5.100     3.200     0.900 peak  2164 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.952 ppm2      3.753 CV     1
 ASSI { 2167}
   (  segid "    " and resid 1    and name HG1%)
   (  segid "    " and resid 1    and name HG2%)
      5.100     3.200     0.900 peak  2167 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.787 ppm2      0.619 CV     1
 ASSI { 2170}
   (  segid "    " and resid 1    and name HG2%)
   (( segid "    " and resid 1    and name HA  ))
      5.100     3.200     0.900 peak  2170 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.616 ppm2      3.752 CV     1
 ASSI { 2175}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 2    and name HG2%)
      5.100     3.200     0.900 peak  2175 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.514 ppm2      0.714 CV     1
 ASSI { 2176}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 2    and name HD1%)
      5.100     3.200     0.900 peak  2176 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.514 ppm2      0.909 CV     1
 ASSI { 2177}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 2    and name HG12))
      5.100     3.200     0.900 peak  2177 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.514 ppm2      1.252 CV     1
 OR { 2177}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 2    and name HG11))
 ASSI { 2185}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 2    and name HG11))
      5.100     3.200     0.900 peak  2185 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.720 ppm2      1.249 CV     1
 OR { 2185}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 2    and name HG12))
 ASSI { 2186}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 2    and name HG12))
      5.100     5.100     0.900 peak  2186 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.906 ppm2      1.246 CV     1
 OR { 2186}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 2    and name HG11))
 ASSI { 2191}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 3    and name HB2 ))
      3.700     1.700     1.700 peak  2191 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.145 ppm2      2.919 CV     1
 OR { 2191}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 3    and name HB1 ))
 ASSI { 2193}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB1 ))
      5.100     3.200     0.900 peak  2193 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.685 ppm2      2.920 CV     1
 OR { 2193}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
 ASSI { 2201}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
      5.100     5.100     0.900 peak  2201 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.012 ppm2      2.784 CV     1
 ASSI { 2202}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      5.100     3.200     0.900 peak  2202 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.012 ppm2      4.100 CV     1
 ASSI { 2203}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      5.100     3.200     0.900 peak  2203 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.781 ppm2      4.099 CV     1
 ASSI { 2206}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HB% )
      5.100     3.200     0.900 peak  2206 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.949 ppm2      1.289 CV     1
 ASSI { 2209}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HB% )
      5.100     3.200     0.900 peak  2209 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.465 ppm2      1.340 CV     1
 ASSI { 2213}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB  ))
      2.400     0.700     0.700 peak  2213 weight  0.10000E+01 volume  0.74192E-02 ppm1      4.218 ppm2      3.423 CV     1
 ASSI { 2216}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      5.100     3.200     0.900 peak  2216 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.915 ppm2      4.215 CV     1
 ASSI { 2221}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      5.100     3.200     0.900 peak  2221 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.581 ppm2      0.358 CV     1
 ASSI { 2222}
   (( segid "    " and resid 9    and name HG12))
   (( segid "    " and resid 9    and name HB  ))
      5.100     3.200     0.900 peak  2222 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.168 ppm2      1.351 CV     1
 ASSI { 2223}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 9    and name HB  ))
      5.100     3.200     0.900 peak  2223 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.572 ppm2      1.370 CV     1
 ASSI { 2226}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 9    and name HG12))
      5.100     3.200     0.900 peak  2226 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.358 ppm2      1.172 CV     1
 ASSI { 2227}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 9    and name HG12))
      5.100     3.200     0.900 peak  2227 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.574 ppm2      1.170 CV     1
 ASSI { 2234}
   (  segid "    " and resid 9    and name HD1%)
   (  segid "    " and resid 9    and name HG2%)
      5.100     3.200     0.900 peak  2234 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.572 ppm2      0.352 CV     1
 ASSI { 2235}
   (( segid "    " and resid 9    and name HG11))
   (  segid "    " and resid 9    and name HD1%)
      5.100     3.200     0.900 peak  2235 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.728 ppm2      0.574 CV     1
 ASSI { 2242}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
      5.100     5.100     0.900 peak  2242 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.513 ppm2      1.896 CV     1
 ASSI { 2247}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
      5.100     3.200     0.900 peak  2247 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.323 ppm2      3.636 CV     1
 ASSI { 2248}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      5.100     3.200     0.900 peak  2248 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.323 ppm2      2.174 CV     1
 ASSI { 2250}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      5.100     3.200     0.900 peak  2250 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.325 ppm2      1.803 CV     1
 OR { 2250}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 2251}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HG1 ))
      5.100     3.200     0.900 peak  2251 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.734 ppm2      1.803 CV     1
 OR { 2251}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2254}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HD2 ))
      5.100     5.100     0.900 peak  2254 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.734 ppm2      3.637 CV     1
 ASSI { 2258}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HA  ))
      5.100     3.200     0.900 peak  2258 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.875 ppm2      4.320 CV     1
 ASSI { 2261}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HD1 ))
      5.100     3.200     0.900 peak  2261 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.874 ppm2      3.740 CV     1
 ASSI { 2266}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG1 ))
      5.100     3.200     0.900 peak  2266 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.631 ppm2      1.804 CV     1
 OR { 2266}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2267}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
      5.100     5.100     0.900 peak  2267 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.171 ppm2      1.804 CV     1
 OR { 2267}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 2274}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HG2 ))
      5.100     5.100     0.900 peak  2274 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.808 ppm2      1.877 CV     1
 OR { 2274}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI { 2277}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      1.800     1.800     4.200 peak  2277 weight  0.10000E+01 volume  0.37017E-01 ppm1      4.283 ppm2      2.528 CV     1
 ASSI { 2278}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.000     0.500     0.500 peak  2278 weight  0.10000E+01 volume  0.21501E-01 ppm1      4.281 ppm2      2.355 CV     1
 ASSI { 2279}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HB2 ))
      5.100     5.100     0.900 peak  2279 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.527 ppm2      2.355 CV     1
 ASSI { 2283}
   (( segid "    " and resid 13   and name HA1 ))
   (( segid "    " and resid 13   and name HA2 ))
      1.500     0.300     0.700 peak  2283 weight  0.10000E+01 volume  0.11263E+00 ppm1      4.054 ppm2      3.428 CV     1
 ASSI { 2289}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 14   and name HG2%)
      5.100     3.200     0.900 peak  2289 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.689 ppm2      0.764 CV     1
 ASSI { 2294}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 15   and name HG2%)
      5.100     3.200     0.900 peak  2294 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.778 ppm2      0.982 CV     1
 ASSI { 2295}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      5.100     3.200     0.900 peak  2295 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.778 ppm2      4.431 CV     1
 ASSI { 2296}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      5.100     3.200     0.900 peak  2296 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.978 ppm2      4.431 CV     1
 ASSI { 2299}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HB2 ))
      5.100     5.100     0.900 peak  2299 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.885 ppm2      2.790 CV     1
 ASSI { 2302}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      5.100     3.200     0.900 peak  2302 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.785 ppm2      4.780 CV     1
 ASSI { 2303}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      5.100     3.200     0.900 peak  2303 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.885 ppm2      4.781 CV     1
 ASSI { 2308}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HB2 ))
      1.800     0.400     0.400 peak  2308 weight  0.10000E+01 volume  0.47728E-01 ppm1      3.261 ppm2      2.561 CV     1
 ASSI { 2309}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      5.100     3.200     0.900 peak  2309 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.684 ppm2      3.265 CV     1
 ASSI { 2316}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB1 ))
      5.100     3.200     0.900 peak  2316 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.094 ppm2      1.112 CV     1
 ASSI { 2319}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HG  ))
      5.100     3.200     0.900 peak  2319 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.118 ppm2      0.802 CV     1
 ASSI { 2320}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HB2 ))
      5.100     5.100     0.900 peak  2320 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.116 ppm2      0.205 CV     1
 ASSI { 2322}
   (( segid "    " and resid 18   and name HB1 ))
   (  segid "    " and resid 18   and name HD2%)
      2.100     0.500     0.500 peak  2322 weight  0.10000E+01 volume  0.17800E-01 ppm1      1.114 ppm2     -0.437 CV     1
 ASSI { 2323}
   (( segid "    " and resid 18   and name HG  ))
   (  segid "    " and resid 18   and name HD2%)
      5.100     3.200     0.900 peak  2323 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.792 ppm2     -0.438 CV     1
 ASSI { 2324}
   (( segid "    " and resid 18   and name HG  ))
   (  segid "    " and resid 18   and name HD1%)
      5.100     3.200     0.900 peak  2324 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.795 ppm2      0.016 CV     1
 ASSI { 2325}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 18   and name HB2 ))
      5.100     3.200     0.900 peak  2325 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.794 ppm2      0.201 CV     1
 ASSI { 2327}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 18   and name HA  ))
      5.100     3.200     0.900 peak  2327 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.796 ppm2      4.091 CV     1
 ASSI { 2330}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
      5.100     3.200     0.900 peak  2330 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.207 ppm2      0.019 CV     1
 ASSI { 2331}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
      5.100     3.200     0.900 peak  2331 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.205 ppm2     -0.437 CV     1
 ASSI { 2332}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 18   and name HD2%)
      5.100     3.200     0.900 peak  2332 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.012 ppm2     -0.438 CV     1
 ASSI { 2335}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HB1 ))
      5.100     3.200     0.900 peak  2335 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.013 ppm2      1.112 CV     1
 ASSI { 2342}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      5.100     3.200     0.900 peak  2342 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.817 ppm2      4.020 CV     1
 ASSI { 2343}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      5.100     3.200     0.900 peak  2343 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.817 ppm2      4.360 CV     1
 ASSI { 2346}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HB1 ))
      1.800     0.400     0.400 peak  2346 weight  0.10000E+01 volume  0.37489E-01 ppm1      4.017 ppm2      4.358 CV     1
 ASSI { 2348}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HD1 ))
      5.100     3.200     0.900 peak  2348 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.188 ppm2      3.854 CV     1
 ASSI { 2349}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HD2 ))
      5.100     3.200     0.900 peak  2349 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.187 ppm2      3.532 CV     1
 ASSI { 2350}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      5.100     3.200     0.900 peak  2350 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.188 ppm2      2.108 CV     1
 ASSI { 2351}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG1 ))
      5.100     3.200     0.900 peak  2351 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.191 ppm2      1.819 CV     1
 ASSI { 2352}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
      5.100     3.200     0.900 peak  2352 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.188 ppm2      1.758 CV     1
 ASSI { 2355}
   (( segid "    " and resid 20   and name HD1 ))
   (( segid "    " and resid 20   and name HG2 ))
      5.100     3.200     0.900 peak  2355 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.856 ppm2      1.758 CV     1
 ASSI { 2356}
   (( segid "    " and resid 20   and name HD1 ))
   (( segid "    " and resid 20   and name HG1 ))
      5.100     3.200     0.900 peak  2356 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.856 ppm2      1.818 CV     1
 ASSI { 2357}
   (( segid "    " and resid 20   and name HD1 ))
   (( segid "    " and resid 20   and name HB1 ))
      5.100     3.200     0.900 peak  2357 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.855 ppm2      2.109 CV     1
 ASSI { 2358}
   (( segid "    " and resid 20   and name HD1 ))
   (( segid "    " and resid 20   and name HD2 ))
      1.700     0.300     0.500 peak  2358 weight  0.10000E+01 volume  0.67654E-01 ppm1      3.855 ppm2      3.532 CV     1
 ASSI { 2362}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HB1 ))
      5.100     3.200     0.900 peak  2362 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.531 ppm2      2.110 CV     1
 ASSI { 2364}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HG2 ))
      5.100     3.200     0.900 peak  2364 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.531 ppm2      1.758 CV     1
 ASSI { 2365}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HB2 ))
      5.100     3.200     0.900 peak  2365 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.528 ppm2      1.128 CV     1
 ASSI { 2366}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HB2 ))
      1.500     0.300     0.700 peak  2366 weight  0.10000E+01 volume  0.11498E+00 ppm1      2.108 ppm2      1.129 CV     1
 ASSI { 2367}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG2 ))
      5.100     3.200     0.900 peak  2367 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.108 ppm2      1.756 CV     1
 ASSI { 2368}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG1 ))
      5.100     3.200     0.900 peak  2368 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.106 ppm2      1.818 CV     1
 ASSI { 2373}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HG2 ))
      5.100     5.100     0.900 peak  2373 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.818 ppm2      1.758 CV     1
 ASSI { 2383}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HB2 ))
      5.100     3.200     0.900 peak  2383 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.750 ppm2      1.129 CV     1
 ASSI { 2388}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HD1 ))
      5.100     3.200     0.900 peak  2388 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.131 ppm2      3.856 CV     1
 ASSI { 2389}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      5.100     3.200     0.900 peak  2389 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.132 ppm2      4.186 CV     1
 ASSI { 2393}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 21   and name HB1 ))
      3.700     1.700     1.700 peak  2393 weight  0.10000E+01 volume  0.78759E-04 ppm1      6.981 ppm2      3.283 CV     1
 ASSI { 2396}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 21   and name HA  ))
      3.700     1.700     1.700 peak  2396 weight  0.10000E+01 volume  0.78759E-04 ppm1      6.717 ppm2      4.517 CV     1
 ASSI { 2400}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB1 ))
      2.000     0.500     0.500 peak  2400 weight  0.10000E+01 volume  0.22761E-01 ppm1      4.520 ppm2      3.284 CV     1
 ASSI { 2406}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HB2 ))
      1.500     0.300     0.700 peak  2406 weight  0.10000E+01 volume  0.14413E+00 ppm1      3.281 ppm2      2.402 CV     1
 ASSI { 2408}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      5.100     3.200     0.900 peak  2408 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.400 ppm2      4.516 CV     1
 ASSI { 2412}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 22   and name HA2 ))
      1.500     0.300     0.700 peak  2412 weight  0.10000E+01 volume  0.14020E+00 ppm1      3.271 ppm2      3.902 CV     1
 ASSI { 2417}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 23   and name HG1%)
      5.100     3.200     0.900 peak  2417 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.819 ppm2      0.883 CV     1
 ASSI { 2418}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 23   and name HG2%)
      5.100     3.200     0.900 peak  2418 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.819 ppm2      0.714 CV     1
 ASSI { 2419}
   (  segid "    " and resid 23   and name HG1%)
   (  segid "    " and resid 23   and name HG2%)
      5.100     3.200     0.900 peak  2419 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.879 ppm2      0.708 CV     1
 ASSI { 2421}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 23   and name HA  ))
      5.100     3.200     0.900 peak  2421 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.880 ppm2      4.089 CV     1
 ASSI { 2423}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HA  ))
      5.100     3.200     0.900 peak  2423 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.710 ppm2      4.087 CV     1
 ASSI { 2430}
   (( segid "    " and resid 24   and name HZ2 ))
   (( segid "    " and resid 24   and name HZ3 ))
      5.100     3.200     0.900 peak  2430 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.327 ppm2      6.662 CV     1
 ASSI { 2431}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 24   and name HZ3 ))
      3.700     1.700     1.700 peak  2431 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.308 ppm2      6.662 CV     1
 ASSI { 2432}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 24   and name HA  ))
      3.700     1.700     1.700 peak  2432 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.311 ppm2      5.173 CV     1
 ASSI { 2433}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 24   and name HB1 ))
      3.700     1.700     1.700 peak  2433 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.308 ppm2      2.944 CV     1
 OR { 2433}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 2436}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 24   and name HB2 ))
      3.700     1.700     1.700 peak  2436 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.208 ppm2      2.944 CV     1
 OR { 2436}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI { 2444}
   (( segid "    " and resid 24   and name HZ3 ))
   (( segid "    " and resid 24   and name HA  ))
      5.100     3.200     0.900 peak  2444 weight  0.10000E+01 volume  0.78759E-04 ppm1      6.659 ppm2      5.173 CV     1
 ASSI { 2447}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HD1 ))
      3.700     1.700     1.700 peak  2447 weight  0.10000E+01 volume  0.78759E-04 ppm1      5.174 ppm2      7.209 CV     1
 ASSI { 2450}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HE3 ))
      3.700     1.700     1.700 peak  2450 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.941 ppm2      7.326 CV     1
 OR { 2450}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HE3 ))
 OR { 2450}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HZ2 ))
 OR { 2450}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HZ2 ))
 ASSI { 2454}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HD% )
      2.700     0.900     0.900 peak  2454 weight  0.10000E+01 volume  0.78759E-04 ppm1      9.747 ppm2      7.010 CV     1
 ASSI { 2469}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      5.100     3.200     0.900 peak  2469 weight  0.10000E+01 volume  0.78759E-04 ppm1      5.205 ppm2      2.718 CV     1
 ASSI { 2473}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HB2 ))
      5.100     5.100     0.900 peak  2473 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.985 ppm2      2.719 CV     1
 ASSI { 2475}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.300     0.700     0.700 peak  2475 weight  0.10000E+01 volume  0.87423E-02 ppm1      4.883 ppm2      3.612 CV     1
 ASSI { 2480}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HB2 ))
      5.100     5.100     0.900 peak  2480 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.613 ppm2      3.712 CV     1
 ASSI { 2482}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HD1 ))
      5.100     3.200     0.900 peak  2482 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.474 ppm2      3.874 CV     1
 ASSI { 2484}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      5.100     3.200     0.900 peak  2484 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.474 ppm2      2.178 CV     1
 ASSI { 2485}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      5.100     3.200     0.900 peak  2485 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.474 ppm2      1.877 CV     1
 OR { 2485}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG1 ))
 ASSI { 2486}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
      5.100     3.200     0.900 peak  2486 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.475 ppm2      1.832 CV     1
 ASSI { 2489}
   (( segid "    " and resid 28   and name HD1 ))
   (( segid "    " and resid 28   and name HG1 ))
      5.100     3.200     0.900 peak  2489 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.873 ppm2      1.877 CV     1
 OR { 2489}
   (( segid "    " and resid 28   and name HD1 ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 2490}
   (( segid "    " and resid 28   and name HD1 ))
   (( segid "    " and resid 28   and name HG2 ))
      5.100     3.200     0.900 peak  2490 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.873 ppm2      1.832 CV     1
 ASSI { 2498}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HD2 ))
      5.100     3.200     0.900 peak  2498 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.839 ppm2      3.705 CV     1
 ASSI { 2501}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HB2 ))
      5.100     3.200     0.900 peak  2501 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.839 ppm2      2.176 CV     1
 ASSI { 2508}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 28   and name HG2 ))
      5.100     5.100     0.900 peak  2508 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.885 ppm2      1.836 CV     1
 OR { 2508}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI { 2510}
   (  segid "    " and resid 29   and name HE% )
   (  segid "    " and resid 29   and name HD% )
      2.700     0.900     0.900 peak  2510 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.163 ppm2      7.077 CV     1
 ASSI { 2512}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 29   and name HB1 ))
      3.700     1.700     1.700 peak  2512 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.163 ppm2      2.960 CV     1
 ASSI { 2514}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 29   and name HA  ))
      3.700     1.700     1.700 peak  2514 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.076 ppm2      4.534 CV     1
 ASSI { 2517}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      5.100     3.200     0.900 peak  2517 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.959 ppm2      4.529 CV     1
 ASSI { 2518}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      5.100     3.200     0.900 peak  2518 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.889 ppm2      4.532 CV     1
 ASSI { 2524}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HB2 ))
      5.100     5.100     0.900 peak  2524 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.959 ppm2      2.892 CV     1
 ASSI { 2527}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.000     0.500     0.500 peak  2527 weight  0.10000E+01 volume  0.23077E-01 ppm1      4.049 ppm2      3.662 CV     1
 OR { 2527}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 2530}
   (( segid "    " and resid 3    and name HE1 ))
   (( segid "    " and resid 3    and name HD2 ))
      2.700     2.700     3.300 peak  2530 weight  0.10000E+01 volume  0.78759E-04 ppm1      8.479 ppm2      7.151 CV     1
 ASSI { 2531}
   (( segid "    " and resid 3    and name HE1 ))
   (( segid "    " and resid 6    and name HA  ))
      3.700     1.700     1.700 peak  2531 weight  0.10000E+01 volume  0.78759E-04 ppm1      8.478 ppm2      3.949 CV     1
 ASSI { 2533}
   (( segid "    " and resid 3    and name HE1 ))
   (( segid "    " and resid 3    and name HB1 ))
      3.700     1.700     1.700 peak  2533 weight  0.10000E+01 volume  0.78759E-04 ppm1      8.479 ppm2      2.920 CV     1
 OR { 2533}
   (( segid "    " and resid 3    and name HE1 ))
   (( segid "    " and resid 3    and name HB2 ))
 ASSI { 2535}
   (( segid "    " and resid 3    and name HE1 ))
   (( segid "    " and resid 9    and name HG12))
      3.700     1.700     1.700 peak  2535 weight  0.10000E+01 volume  0.78759E-04 ppm1      8.480 ppm2      1.170 CV     1
 ASSI { 2537}
   (( segid "    " and resid 3    and name HE1 ))
   (( segid "    " and resid 9    and name HG11))
      3.700     1.700     1.700 peak  2537 weight  0.10000E+01 volume  0.78759E-04 ppm1      8.479 ppm2      0.744 CV     1
 ASSI { 2538}
   (( segid "    " and resid 3    and name HE1 ))
   (  segid "    " and resid 1    and name HG2%)
      3.700     1.700     1.700 peak  2538 weight  0.10000E+01 volume  0.78759E-04 ppm1      8.480 ppm2      0.618 CV     1
 ASSI { 2539}
   (( segid "    " and resid 3    and name HE1 ))
   (  segid "    " and resid 9    and name HD1%)
      3.700     1.700     1.700 peak  2539 weight  0.10000E+01 volume  0.78759E-04 ppm1      8.480 ppm2      0.577 CV     1
 ASSI { 2542}
   (( segid "    " and resid 24   and name HZ2 ))
   (  segid "    " and resid 18   and name HD1%)
      2.300     0.700     0.700 peak  2542 weight  0.10000E+01 volume  0.91361E-02 ppm1      7.328 ppm2      0.018 CV     1
 ASSI { 2543}
   (( segid "    " and resid 24   and name HZ2 ))
   (  segid "    " and resid 18   and name HD2%)
      5.100     3.200     0.900 peak  2543 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.327 ppm2     -0.434 CV     1
 ASSI { 2545}
   (( segid "    " and resid 24   and name HD1 ))
   (  segid "    " and resid 18   and name HD1%)
      3.700     3.700     2.300 peak  2545 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.207 ppm2      0.017 CV     1
 ASSI { 2549}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 18   and name HB2 ))
      3.700     1.700     1.700 peak  2549 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.311 ppm2      0.205 CV     1
 ASSI { 2551}
   (( segid "    " and resid 3    and name HD2 ))
   (  segid "    " and resid 9    and name HG2%)
      2.100     2.100     3.900 peak  2551 weight  0.10000E+01 volume  0.22840E-02 ppm1      7.144 ppm2      0.350 CV     1
 ASSI { 2558}
   (  segid "    " and resid 21   and name HD% )
   (  segid "    " and resid 23   and name HG2%)
      1.700     0.400     0.500 peak  2558 weight  0.10000E+01 volume  0.76160E-02 ppm1      6.979 ppm2      0.714 CV     1
 ASSI { 2576}
   (( segid "    " and resid 24   and name HD1 ))
   (  segid "    " and resid 7    and name HB% )
      3.700     1.700     1.700 peak  2576 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.207 ppm2      1.340 CV     1
 ASSI { 2582}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 20   and name HG2 ))
      3.700     1.700     1.700 peak  2582 weight  0.10000E+01 volume  0.78759E-04 ppm1      6.980 ppm2      1.756 CV     1
 ASSI { 2593}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 16   and name HB1 ))
      3.700     1.700     1.700 peak  2593 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.310 ppm2      2.885 CV     1
 ASSI { 2596}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 17   and name HB2 ))
      3.700     1.700     1.700 peak  2596 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.005 ppm2      2.564 CV     1
 ASSI { 2597}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 26   and name HB2 ))
      3.700     1.700     1.700 peak  2597 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.006 ppm2      2.718 CV     1
 ASSI { 2608}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 8    and name HB  ))
      2.400     2.400     3.600 peak  2608 weight  0.10000E+01 volume  0.11814E-02 ppm1      7.208 ppm2      3.423 CV     1
 ASSI { 2613}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 20   and name HD2 ))
      2.000     2.000     4.000 peak  2613 weight  0.10000E+01 volume  0.32213E-02 ppm1      6.981 ppm2      3.532 CV     1
 ASSI { 2617}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 15   and name HB  ))
      2.200     0.600     0.600 peak  2617 weight  0.10000E+01 volume  0.17879E-02 ppm1      7.075 ppm2      3.783 CV     1
 ASSI { 2618}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 15   and name HB  ))
      2.000     0.500     0.500 peak  2618 weight  0.10000E+01 volume  0.28432E-02 ppm1      7.162 ppm2      3.780 CV     1
 ASSI { 2620}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 6    and name HA  ))
      3.700     3.700     2.300 peak  2620 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.146 ppm2      3.949 CV     1
 ASSI { 2622}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 20   and name HD1 ))
      3.700     1.700     1.700 peak  2622 weight  0.10000E+01 volume  0.78759E-04 ppm1      6.983 ppm2      3.856 CV     1
 ASSI { 2623}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 19   and name HB2 ))
      3.700     1.700     1.700 peak  2623 weight  0.10000E+01 volume  0.78759E-04 ppm1      6.983 ppm2      4.019 CV     1
 ASSI { 2624}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 19   and name HB2 ))
      1.700     1.700     4.300 peak  2624 weight  0.10000E+01 volume  0.85848E-02 ppm1      7.005 ppm2      4.019 CV     1
 ASSI { 2636}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 15   and name HA  ))
      5.500     3.700     0.500 peak  2636 weight  0.10000E+01 volume  0.78759E-05 ppm1      7.077 ppm2      4.431 CV     1
 ASSI { 2637}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 19   and name HB1 ))
      2.200     0.600     0.600 peak  2637 weight  0.10000E+01 volume  0.19768E-02 ppm1      7.006 ppm2      4.357 CV     1
 ASSI { 2638}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 19   and name HB1 ))
      3.700     1.700     1.700 peak  2638 weight  0.10000E+01 volume  0.78759E-04 ppm1      6.979 ppm2      4.359 CV     1
 ASSI { 2639}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 24   and name HA  ))
      2.100     2.100     3.900 peak  2639 weight  0.10000E+01 volume  0.25203E-02 ppm1      7.006 ppm2      5.174 CV     1
 ASSI { 2641}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 24   and name HE3 ))
      4.000     2.000     2.000 peak  2641 weight  0.10000E+01 volume  0.78759E-05 ppm1      7.007 ppm2      7.328 CV     1
 OR { 2641}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 24   and name HZ2 ))
 ASSI { 2661}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 19   and name HB1 ))
      2.100     0.600     0.600 peak  2661 weight  0.10000E+01 volume  0.22446E-02 ppm1      6.448 ppm2      4.359 CV     1
 ASSI { 2675}
   (( segid "    " and resid 24   and name HZ3 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.200     0.600     0.600 peak  2675 weight  0.10000E+01 volume  0.10869E-01 ppm1      6.659 ppm2      2.788 CV     1
 ASSI { 2678}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 20   and name HB1 ))
      3.700     1.700     1.700 peak  2678 weight  0.10000E+01 volume  0.78759E-04 ppm1      6.717 ppm2      2.108 CV     1
 ASSI { 2680}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 20   and name HG2 ))
      3.700     1.700     1.700 peak  2680 weight  0.10000E+01 volume  0.78759E-04 ppm1      6.717 ppm2      1.758 CV     1
 ASSI { 2683}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 20   and name HB2 ))
      2.100     0.600     0.600 peak  2683 weight  0.10000E+01 volume  0.23077E-02 ppm1      6.716 ppm2      1.131 CV     1
 ASSI { 2684}
   (( segid "    " and resid 24   and name HZ3 ))
   (( segid "    " and resid 18   and name HB1 ))
      2.900     2.900     3.100 peak  2684 weight  0.10000E+01 volume  0.22683E-02 ppm1      6.660 ppm2      1.117 CV     1
 ASSI { 2685}
   (  segid "    " and resid 21   and name HE% )
   (  segid "    " and resid 23   and name HG1%)
      3.700     1.700     1.700 peak  2685 weight  0.10000E+01 volume  0.78759E-04 ppm1      6.717 ppm2      0.880 CV     1
 ASSI { 2687}
   (( segid "    " and resid 24   and name HZ3 ))
   (( segid "    " and resid 18   and name HG  ))
      3.000     1.100     1.100 peak  2687 weight  0.10000E+01 volume  0.19532E-02 ppm1      6.662 ppm2      0.793 CV     1
 ASSI { 2694}
   (( segid "    " and resid 24   and name HZ3 ))
   (( segid "    " and resid 18   and name HB2 ))
      5.100     3.200     0.900 peak  2694 weight  0.10000E+01 volume  0.78759E-04 ppm1      6.662 ppm2      0.205 CV     1
 ASSI { 2695}
   (( segid "    " and resid 24   and name HZ3 ))
   (  segid "    " and resid 18   and name HD1%)
      5.100     3.200     0.900 peak  2695 weight  0.10000E+01 volume  0.78759E-04 ppm1      6.659 ppm2      0.017 CV     1
 ASSI { 2697}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
      2.300     0.700     0.700 peak  2697 weight  0.10000E+01 volume  0.92936E-02 ppm1      5.173 ppm2     -0.437 CV     1
 ASSI { 2698}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
      2.600     2.600     3.400 peak  2698 weight  0.10000E+01 volume  0.43553E-02 ppm1      5.173 ppm2      0.014 CV     1
 ASSI { 2715}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HD1 ))
      5.100     3.200     0.900 peak  2715 weight  0.10000E+01 volume  0.78759E-04 ppm1      5.204 ppm2      3.747 CV     1
 ASSI { 2737}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 25   and name HE% )
      2.500     0.800     0.800 peak  2737 weight  0.10000E+01 volume  0.85848E-03 ppm1      4.816 ppm2      6.450 CV     1
 ASSI { 2742}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 28   and name HA  ))
      2.700     0.900     0.900 peak  2742 weight  0.10000E+01 volume  0.36545E-02 ppm1      4.819 ppm2      4.476 CV     1
 ASSI { 2748}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HD1 ))
      2.000     0.500     0.500 peak  2748 weight  0.10000E+01 volume  0.20162E-01 ppm1      4.883 ppm2      3.876 CV     1
 ASSI { 2752}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HD1 ))
      2.700     0.900     0.900 peak  2752 weight  0.10000E+01 volume  0.38119E-02 ppm1      4.816 ppm2      3.856 CV     1
 ASSI { 2781}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 20   and name HD2 ))
      2.300     0.600     0.600 peak  2781 weight  0.10000E+01 volume  0.99237E-02 ppm1      4.018 ppm2      3.533 CV     1
 ASSI { 2788}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 3    and name HB1 ))
      5.100     3.200     0.900 peak  2788 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.950 ppm2      2.919 CV     1
 OR { 2788}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
 ASSI { 2809}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 1    and name HB  ))
      5.100     3.200     0.900 peak  2809 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.323 ppm2      1.959 CV     1
 ASSI { 2819}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB  ))
      6.000     6.000     0.000 peak  2819 weight  0.10000E+01 volume  0.78759E-05 ppm1      4.585 ppm2      1.339 CV     1
 ASSI { 2821}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      3.500     1.500     1.500 peak  2821 weight  0.10000E+01 volume  0.78759E-03 ppm1      4.535 ppm2      0.978 CV     1
 ASSI { 2822}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      5.100     3.200     0.900 peak  2822 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.462 ppm2      1.000 CV     1
 ASSI { 2826}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 23   and name HB  ))
      2.300     0.700     0.700 peak  2826 weight  0.10000E+01 volume  0.85060E-02 ppm1      4.354 ppm2      1.818 CV     1
 ASSI { 2829}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 6    and name HB% )
      2.800     1.000     1.000 peak  2829 weight  0.10000E+01 volume  0.29850E-02 ppm1      4.097 ppm2      1.307 CV     1
 ASSI { 2843}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      5.100     3.200     0.900 peak  2843 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.686 ppm2      0.352 CV     1
 ASSI { 2845}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
      2.900     2.900     3.100 peak  2845 weight  0.10000E+01 volume  0.25518E-02 ppm1      4.519 ppm2      0.715 CV     1
 ASSI { 2848}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 1    and name HG2%)
      2.500     2.500     3.500 peak  2848 weight  0.10000E+01 volume  0.61590E-02 ppm1      4.323 ppm2      0.616 CV     1
 ASSI { 2850}
   (( segid "    " and resid 19   and name HB1 ))
   (  segid "    " and resid 23   and name HG2%)
      5.100     3.200     0.900 peak  2850 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.354 ppm2      0.715 CV     1
 ASSI { 2853}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      5.100     3.200     0.900 peak  2853 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.324 ppm2      0.353 CV     1
 ASSI { 2855}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      5.100     3.200     0.900 peak  2855 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.218 ppm2      0.353 CV     1
 ASSI { 2861}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 23   and name HG1%)
      3.100     3.100     2.900 peak  2861 weight  0.10000E+01 volume  0.17012E-02 ppm1      4.019 ppm2      0.881 CV     1
 ASSI { 2862}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 23   and name HG2%)
      2.600     2.600     3.400 peak  2862 weight  0.10000E+01 volume  0.44736E-02 ppm1      4.018 ppm2      0.714 CV     1
 ASSI { 2865}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.500     0.800     0.800 peak  2865 weight  0.10000E+01 volume  0.62850E-02 ppm1      4.100 ppm2      0.234 CV     1
 ASSI { 2876}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
      5.100     3.200     0.900 peak  2876 weight  0.10000E+01 volume  0.78759E-04 ppm1      4.019 ppm2     -0.439 CV     1
 ASSI { 2879}
   (( segid "    " and resid 22   and name HA1 ))
   (  segid "    " and resid 18   and name HD2%)
      2.000     0.500     0.500 peak  2879 weight  0.10000E+01 volume  0.24573E-01 ppm1      3.272 ppm2     -0.437 CV     1
 ASSI { 2883}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      2.800     2.800     3.200 peak  2883 weight  0.10000E+01 volume  0.28590E-02 ppm1      3.755 ppm2      0.357 CV     1
 ASSI { 2885}
   (( segid "    " and resid 28   and name HD1 ))
   (  segid "    " and resid 14   and name HG2%)
      5.100     3.200     0.900 peak  2885 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.873 ppm2      0.764 CV     1
 ASSI { 2886}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     6.000     0.000 peak  2886 weight  0.10000E+01 volume  0.78759E-05 ppm1      3.779 ppm2      0.729 CV     1
 ASSI { 2892}
   (( segid "    " and resid 11   and name HD2 ))
   (  segid "    " and resid 14   and name HG2%)
      2.100     2.100     3.900 peak  2892 weight  0.10000E+01 volume  0.18508E-01 ppm1      3.631 ppm2      0.764 CV     1
 ASSI { 2893}
   (( segid "    " and resid 27   and name HB1 ))
   (  segid "    " and resid 15   and name HG2%)
      3.500     1.500     1.500 peak  2893 weight  0.10000E+01 volume  0.78759E-03 ppm1      3.613 ppm2      0.980 CV     1
 ASSI { 2918}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 2    and name HB  ))
      2.500     0.800     0.800 peak  2918 weight  0.10000E+01 volume  0.61905E-02 ppm1      3.512 ppm2      1.518 CV     1
 ASSI { 2922}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 2    and name HG12))
      3.000     1.100     1.100 peak  2922 weight  0.10000E+01 volume  0.17879E-02 ppm1      3.506 ppm2      1.261 CV     1
 OR { 2922}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 2    and name HG11))
 ASSI { 2934}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
      5.100     3.200     0.900 peak  2934 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.985 ppm2      1.805 CV     1
 OR { 2934}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2938}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 26   and name HB2 ))
      2.800     1.000     1.000 peak  2938 weight  0.10000E+01 volume  0.28904E-02 ppm1      3.735 ppm2      2.721 CV     1
 ASSI { 2939}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.300     2.300     3.700 peak  2939 weight  0.10000E+01 volume  0.88210E-02 ppm1      3.689 ppm2      2.719 CV     1
 ASSI { 2940}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 26   and name HB2 ))
      2.400     0.700     0.700 peak  2940 weight  0.10000E+01 volume  0.71041E-02 ppm1      3.632 ppm2      2.716 CV     1
 ASSI { 2942}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 26   and name HB1 ))
      2.300     0.700     0.700 peak  2942 weight  0.10000E+01 volume  0.81910E-02 ppm1      3.513 ppm2      2.985 CV     1
 ASSI { 2943}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 26   and name HB1 ))
      2.300     0.700     0.700 peak  2943 weight  0.10000E+01 volume  0.90573E-02 ppm1      3.629 ppm2      2.986 CV     1
 ASSI { 2944}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.200     0.600     0.600 peak  2944 weight  0.10000E+01 volume  0.13231E-01 ppm1      3.689 ppm2      2.988 CV     1
 ASSI { 2945}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 26   and name HB1 ))
      2.500     2.500     3.500 peak  2945 weight  0.10000E+01 volume  0.53320E-02 ppm1      3.732 ppm2      2.987 CV     1
 ASSI { 2947}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.600     0.900     0.900 peak  2947 weight  0.10000E+01 volume  0.40483E-02 ppm1      3.424 ppm2      2.945 CV     1
 OR { 2947}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI { 2963}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 17   and name HB1 ))
      6.000     6.000     0.000 peak  2963 weight  0.10000E+01 volume  0.78759E-05 ppm1      3.619 ppm2      3.269 CV     1
 ASSI { 2974}
   (( segid "    " and resid 20   and name HD1 ))
   (( segid "    " and resid 19   and name HB2 ))
      5.100     3.200     0.900 peak  2974 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.854 ppm2      4.019 CV     1
 ASSI { 2983}
   (( segid "    " and resid 20   and name HD1 ))
   (( segid "    " and resid 19   and name HB1 ))
      5.100     3.200     0.900 peak  2983 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.856 ppm2      4.360 CV     1
 ASSI { 2986}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 19   and name HB1 ))
      5.100     3.200     0.900 peak  2986 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.529 ppm2      4.360 CV     1
 ASSI { 2992}
   (( segid "    " and resid 28   and name HD1 ))
   (  segid "    " and resid 25   and name HE% )
      3.700     3.700     2.300 peak  2992 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.872 ppm2      6.446 CV     1
 ASSI { 2997}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 25   and name HE% )
      3.700     1.700     1.700 peak  2997 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.257 ppm2      6.451 CV     1
 ASSI { 3003}
   (( segid "    " and resid 27   and name HB1 ))
   (  segid "    " and resid 25   and name HD% )
      3.700     1.700     1.700 peak  3003 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.612 ppm2      7.009 CV     1
 ASSI { 3006}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 25   and name HD% )
      3.700     3.700     2.300 peak  3006 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.984 ppm2      7.007 CV     1
 ASSI { 3011}
   (( segid "    " and resid 13   and name HA2 ))
   (  segid "    " and resid 29   and name HE% )
      3.700     1.700     1.700 peak  3011 weight  0.10000E+01 volume  0.78759E-04 ppm1      3.426 ppm2      7.157 CV     1
 ASSI { 3027}
   (( segid "    " and resid 20   and name HB1 ))
   (  segid "    " and resid 21   and name HD% )
      3.700     1.700     1.700 peak  3027 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.108 ppm2      6.985 CV     1
 ASSI { 3043}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 19   and name HA  ))
      5.100     3.200     0.900 peak  3043 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.111 ppm2      4.801 CV     1
 ASSI { 3063}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 10   and name HB1 ))
      5.100     3.200     0.900 peak  3063 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.956 ppm2      3.535 CV     1
 ASSI { 3100}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 2    and name HB  ))
      2.700     2.700     3.300 peak  3100 weight  0.10000E+01 volume  0.34733E-02 ppm1      1.954 ppm2      1.516 CV     1
 ASSI { 3101}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 9    and name HB  ))
      2.500     2.500     3.500 peak  3101 weight  0.10000E+01 volume  0.63558E-02 ppm1      1.956 ppm2      1.370 CV     1
 ASSI { 3108}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 7    and name HB% )
      5.100     3.200     0.900 peak  3108 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.782 ppm2      1.317 CV     1
 ASSI { 3120}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 2    and name HG2%)
      5.100     3.200     0.900 peak  3120 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.885 ppm2      0.723 CV     1
 ASSI { 3123}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 14   and name HG2%)
      2.200     0.600     0.600 peak  3123 weight  0.10000E+01 volume  0.12759E-01 ppm1      2.716 ppm2      0.764 CV     1
 ASSI { 3127}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 23   and name HG1%)
      5.100     3.200     0.900 peak  3127 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.399 ppm2      0.869 CV     1
 ASSI { 3128}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 23   and name HG2%)
      2.200     0.600     0.600 peak  3128 weight  0.10000E+01 volume  0.13231E-01 ppm1      2.403 ppm2      0.712 CV     1
 ASSI { 3136}
   (( segid "    " and resid 1    and name HB  ))
   (  segid "    " and resid 9    and name HG2%)
      2.000     0.500     0.500 peak  3136 weight  0.10000E+01 volume  0.20950E-01 ppm1      1.955 ppm2      0.357 CV     1
 ASSI { 3188}
   (( segid "    " and resid 2    and name HG12))
   (( segid "    " and resid 1    and name HB  ))
      5.100     3.200     0.900 peak  3188 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.246 ppm2      1.935 CV     1
 OR { 3188}
   (( segid "    " and resid 2    and name HG11))
   (( segid "    " and resid 1    and name HB  ))
 ASSI { 3191}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.100     0.600     0.600 peak  3191 weight  0.10000E+01 volume  0.14020E-01 ppm1      1.514 ppm2      1.899 CV     1
 ASSI { 3206}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 3    and name HB1 ))
      5.100     3.200     0.900 peak  3206 weight  0.10000E+01 volume  0.78759E-04 ppm1      1.288 ppm2      2.943 CV     1
 OR { 3206}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 3    and name HB2 ))
 ASSI { 3260}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
      5.100     3.200     0.900 peak  3260 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.978 ppm2      4.804 CV     1
 ASSI { 3274}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 29   and name HD% )
      3.700     1.700     1.700 peak  3274 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.977 ppm2      7.075 CV     1
 ASSI { 3277}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 24   and name HD1 ))
      3.700     1.700     1.700 peak  3277 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.914 ppm2      7.207 CV     1
 ASSI { 3283}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 3    and name HE1 ))
      3.700     1.700     1.700 peak  3283 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.355 ppm2      8.480 CV     1
 ASSI { 3285}
   (  segid "    " and resid 23   and name HG1%)
   (  segid "    " and resid 25   and name HD% )
      3.700     1.700     1.700 peak  3285 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.880 ppm2      7.008 CV     1
 ASSI { 3289}
   (  segid "    " and resid 1    and name HG2%)
   (( segid "    " and resid 3    and name HD2 ))
      3.700     1.700     1.700 peak  3289 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.619 ppm2      7.153 CV     1
 ASSI { 3290}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 3    and name HD2 ))
      3.700     3.700     2.300 peak  3290 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.572 ppm2      7.154 CV     1
 ASSI { 3295}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 21   and name HE% )
      3.700     1.700     1.700 peak  3295 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.709 ppm2      6.717 CV     1
 ASSI { 3308}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
      2.800     1.000     1.000 peak  3308 weight  0.10000E+01 volume  0.30087E-02 ppm1      0.761 ppm2      4.799 CV     1
 ASSI { 3318}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak  3318 weight  0.10000E+01 volume  0.55289E-02 ppm1      0.720 ppm2      4.430 CV     1
 ASSI { 3319}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 28   and name HA  ))
      5.100     3.200     0.900 peak  3319 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.761 ppm2      4.473 CV     1
 ASSI { 3320}
   (  segid "    " and resid 1    and name HG1%)
   (( segid "    " and resid 11   and name HA  ))
      5.100     3.200     0.900 peak  3320 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.790 ppm2      4.321 CV     1
 ASSI { 3323}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 13   and name HA1 ))
      3.100     1.200     1.200 peak  3323 weight  0.10000E+01 volume  0.16775E-02 ppm1      0.760 ppm2      4.051 CV     1
 ASSI { 3329}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 22   and name HA2 ))
      2.900     2.900     3.100 peak  3329 weight  0.10000E+01 volume  0.23864E-02 ppm1      0.710 ppm2      3.904 CV     1
 ASSI { 3337}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 13   and name HA2 ))
      5.100     3.200     0.900 peak  3337 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.762 ppm2      3.430 CV     1
 ASSI { 3344}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 22   and name HA2 ))
      5.100     3.200     0.900 peak  3344 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.012 ppm2      3.903 CV     1
 ASSI { 3345}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 22   and name HA1 ))
      2.500     0.800     0.800 peak  3345 weight  0.10000E+01 volume  0.57100E-02 ppm1      0.013 ppm2      3.272 CV     1
 ASSI { 3347}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 26   and name HB1 ))
      5.100     3.200     0.900 peak  3347 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.761 ppm2      2.985 CV     1
 ASSI { 3359}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 1    and name HB  ))
      2.500     2.500     3.500 peak  3359 weight  0.10000E+01 volume  0.54422E-02 ppm1      0.575 ppm2      1.955 CV     1
 ASSI { 3364}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 28   and name HG2 ))
      5.100     3.200     0.900 peak  3364 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.761 ppm2      1.834 CV     1
 ASSI { 3377}
   (  segid "    " and resid 1    and name HG2%)
   (( segid "    " and resid 9    and name HG12))
      5.100     3.200     0.900 peak  3377 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.611 ppm2      1.189 CV     1
 ASSI { 3378}
   (  segid "    " and resid 1    and name HG2%)
   (( segid "    " and resid 9    and name HB  ))
      2.600     2.600     3.400 peak  3378 weight  0.10000E+01 volume  0.41979E-02 ppm1      0.615 ppm2      1.373 CV     1
 ASSI { 3382}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 9    and name HB  ))
      1.900     0.500     0.500 peak  3382 weight  0.10000E+01 volume  0.28904E-01 ppm1      0.333 ppm2      1.369 CV     1
 ASSI { 3392}
   (  segid "    " and resid 9    and name HG2%)
   (  segid "    " and resid 1    and name HG1%)
      5.100     3.200     0.900 peak  3392 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.342 ppm2      0.801 CV     1
 ASSI { 3399}
   (  segid "    " and resid 1    and name HG2%)
   (  segid "    " and resid 9    and name HG2%)
      5.100     5.100     0.900 peak  3399 weight  0.10000E+01 volume  0.78759E-04 ppm1      0.618 ppm2      0.355 CV     1
 ASSI { 3429}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 22   and name HA2 ))
      5.100     3.200     0.900 peak  3429 weight  0.10000E+01 volume  0.78759E-04 ppm1     -0.437 ppm2      3.902 CV     1
 ASSI { 3432}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 19   and name HA  ))
      5.100     3.200     0.900 peak  3432 weight  0.10000E+01 volume  0.78759E-04 ppm1     -0.436 ppm2      4.800 CV     1
 ASSI { 3438}
   (( segid "    " and resid 24   and name HE3 ))
   (  segid "    " and resid 18   and name HD2%)
      3.700     1.700     1.700 peak  3438 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.307 ppm2     -0.434 CV     1
 ASSI { 3443}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 1    and name HG1%)
      5.100     3.200     0.900 peak  3443 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.169 ppm2      0.790 CV     1
 ASSI { 3446}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      1.400     0.300     0.800 peak  3446 weight  0.10000E+01 volume  0.25597E-01 ppm1      5.173 ppm2      9.745 CV     1
 ASSI { 3447}
   (( segid "    " and resid 24   and name HE3 ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak  3447 weight  0.10000E+01 volume  0.78759E-04 ppm1      7.307 ppm2      9.249 CV     1
 ASSI { 3448}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak  3448 weight  0.10000E+01 volume  0.78759E-04 ppm1      9.748 ppm2      9.248 CV     1
 ASSI { 3454}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 19   and name HB1 ))
      3.700     1.700     1.700 peak  3454 weight  0.10000E+01 volume  0.78759E-04 ppm1      6.718 ppm2      4.361 CV     1
 ASSI { 3461}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      1.900     1.900     4.100 peak  3461 weight  0.10000E+01 volume  0.45602E-02 ppm1      7.529 ppm2      0.744 CV     1
 ASSI { 3463}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 18   and name HD2%)
      3.700     1.700     1.700 peak  3463 weight  0.10000E+01 volume  0.78759E-04 ppm1      9.747 ppm2     -0.439 CV     1
 ASSI { 3465}
   (( segid "    " and resid 3    and name HB1 ))
   (  segid "    " and resid 9    and name HD1%)
      5.100     3.200     0.900 peak  3465 weight  0.10000E+01 volume  0.78759E-04 ppm1      2.916 ppm2      0.577 CV     1
 OR { 3465}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 9    and name HD1%)

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    VAL   1          HT1       VAL   1 -11.147   4.408  -0.296
    2   2H    VAL   1          HT2       VAL   1 -10.774   5.768  -1.230
    3   3H    VAL   1          HT3       VAL   1 -10.245   5.673   0.374
    4    HA   VAL   1           HA       VAL   1  -9.413   3.490  -1.327
    5    HB   VAL   1           HB       VAL   1  -7.510   4.859  -2.248
    6   1HG1  VAL   1          HG11      VAL   1 -10.018   4.369  -3.267
    7   2HG1  VAL   1          HG12      VAL   1  -8.622   4.940  -4.182
    8   3HG1  VAL   1          HG13      VAL   1  -9.798   6.095  -3.555
    9   1HG2  VAL   1          HG21      VAL   1  -7.645   6.796  -0.829
   10   2HG2  VAL   1          HG22      VAL   1  -9.286   7.136  -1.380
   11   3HG2  VAL   1          HG23      VAL   1  -7.930   7.296  -2.497
   12    H    ILE   2           HN       ILE   2  -6.737   3.757  -1.060
   13    HA   ILE   2           HA       ILE   2  -6.350   3.939   1.857
   14    HB   ILE   2           HB       ILE   2  -5.113   2.027  -0.124
   15   1HG1  ILE   2          HG12      ILE   2  -5.988   0.418   1.734
   16   2HG1  ILE   2          HG11      ILE   2  -6.993   1.785   2.205
   17   1HG2  ILE   2          HG21      ILE   2  -4.019   3.064   2.347
   18   2HG2  ILE   2          HG22      ILE   2  -3.264   2.050   1.117
   19   3HG2  ILE   2          HG23      ILE   2  -4.222   1.313   2.402
   20   1HD1  ILE   2          HD11      ILE   2  -8.106   0.157   0.703
   21   2HD1  ILE   2          HD12      ILE   2  -6.953   0.598  -0.556
   22   3HD1  ILE   2          HD13      ILE   2  -8.071   1.805   0.077
   23    H    HIS   3           HN       HIS   3  -5.178   5.658   2.366
   24    HA   HIS   3           HA       HIS   3  -3.143   6.623   0.482
   25   1HB   HIS   3          HB2       HIS   3  -4.813   7.922   2.583
   26   2HB   HIS   3          HB1       HIS   3  -3.222   8.603   2.260
   27    HD1  HIS   3           HD1      HIS   3  -2.821   9.523  -0.188
   28    HD2  HIS   3           HD2      HIS   3  -6.748   8.501   0.709
   29    HE1  HIS   3           HE1      HIS   3  -4.221  10.591  -1.983
   30    HE2  HIS   3           HE2      HIS   3  -6.586   9.896  -1.463
   31    H    CYS   4           HN       CYS   4  -3.631   5.859   3.909
   32    HA   CYS   4           HA       CYS   4  -2.206   5.285   5.578
   33   1HB   CYS   4          HB2       CYS   4  -1.343   3.907   3.267
   34   2HB   CYS   4          HB1       CYS   4   0.109   4.478   4.081
   35    H    ASP   5           HN       ASP   5   0.516   5.966   3.470
   36    HA   ASP   5           HA       ASP   5   1.535   7.892   5.351
   37   1HB   ASP   5          HB2       ASP   5   2.758   6.131   3.719
   38   2HB   ASP   5          HB1       ASP   5   2.843   7.569   2.707
   39    H    ALA   6           HN       ALA   6  -0.791   8.186   3.143
   40    HA   ALA   6           HA       ALA   6  -1.735   9.891   1.971
   41   1HB   ALA   6          HB1       ALA   6  -0.398  12.170   2.997
   42   2HB   ALA   6          HB2       ALA   6  -0.608  11.025   4.322
   43   3HB   ALA   6          HB3       ALA   6  -2.007  11.569   3.396
   44    H    ALA   7           HN       ALA   7   0.791   8.687   1.028
   45    HA   ALA   7           HA       ALA   7   1.609  10.858  -0.785
   46   1HB   ALA   7          HB1       ALA   7   3.737   8.970  -0.464
   47   2HB   ALA   7          HB2       ALA   7   3.245   9.580   1.116
   48   3HB   ALA   7          HB3       ALA   7   3.732  10.706  -0.151
   49    H    THR   8           HN       THR   8   0.455   7.702  -0.379
   50    HA   THR   8           HA       THR   8   0.605   7.249  -3.264
   51    HB   THR   8           HB       THR   8   0.965   4.721  -1.956
   52    HG1  THR   8           HG1      THR   8   2.962   6.683  -1.402
   53   1HG2  THR   8          HG21      THR   8   2.174   4.357  -3.804
   54   2HG2  THR   8          HG22      THR   8   3.228   5.733  -3.478
   55   3HG2  THR   8          HG23      THR   8   1.692   5.976  -4.310
   56    H    ILE   9           HN       ILE   9  -1.339   6.737  -4.016
   57    HA   ILE   9           HA       ILE   9  -3.455   6.007  -2.169
   58    HB   ILE   9           HB       ILE   9  -3.789   6.259  -5.145
   59   1HG1  ILE   9          HG12      ILE   9  -3.933   8.558  -3.186
   60   2HG1  ILE   9          HG11      ILE   9  -2.534   8.243  -4.208
   61   1HG2  ILE   9          HG21      ILE   9  -5.680   5.393  -3.921
   62   2HG2  ILE   9          HG22      ILE   9  -6.041   7.026  -4.480
   63   3HG2  ILE   9          HG23      ILE   9  -5.610   6.746  -2.793
   64   1HD1  ILE   9          HD11      ILE   9  -4.826   8.274  -5.868
   65   2HD1  ILE   9          HD12      ILE   9  -3.475   9.407  -5.831
   66   3HD1  ILE   9          HD13      ILE   9  -4.890   9.689  -4.818
   67    H    CYS  10           HN       CYS  10  -4.857   4.186  -2.510
   68    HA   CYS  10           HA       CYS  10  -3.833   2.040  -4.203
   69   1HB   CYS  10          HB2       CYS  10  -4.011   1.953  -1.208
   70   2HB   CYS  10          HB1       CYS  10  -4.204   0.479  -2.150
   71    HA   PRO  11           HA       PRO  11  -8.101   1.204  -4.948
   72   1HB   PRO  11          HB2       PRO  11  -7.514  -1.689  -4.860
   73   2HB   PRO  11          HB1       PRO  11  -8.128  -0.708  -6.193
   74   1HG   PRO  11          HG2       PRO  11  -5.625  -1.653  -6.204
   75   2HG   PRO  11          HG1       PRO  11  -6.012  -0.052  -6.861
   76   1HD   PRO  11          HD2       PRO  11  -4.792  -0.773  -4.221
   77   2HD   PRO  11          HD1       PRO  11  -4.367   0.544  -5.334
   78    H    ASP  12           HN       ASP  12  -9.926   0.849  -3.791
   79    HA   ASP  12           HA       ASP  12  -9.792   0.451  -1.024
   80   1HB   ASP  12          HB2       ASP  12 -12.390  -0.259  -2.139
   81   2HB   ASP  12          HB1       ASP  12 -11.954   1.063  -1.062
   82    H    GLY  13           HN       GLY  13  -8.987  -1.380  -0.197
   83   1HA   GLY  13          HA2       GLY  13 -10.045  -3.616   0.460
   84   2HA   GLY  13          HA1       GLY  13  -9.973  -3.945  -1.264
   85    H    THR  14           HN       THR  14  -7.343  -2.102  -0.592
   86    HA   THR  14           HA       THR  14  -5.651  -4.472  -0.130
   87    HB   THR  14           HB       THR  14  -3.864  -3.248  -1.370
   88    HG1  THR  14           HG1      THR  14  -4.650  -1.130  -1.209
   89   1HG2  THR  14          HG21      THR  14  -4.586  -3.936  -3.476
   90   2HG2  THR  14          HG22      THR  14  -6.263  -3.494  -3.152
   91   3HG2  THR  14          HG23      THR  14  -5.561  -4.917  -2.382
   92    H    THR  15           HN       THR  15  -3.711  -4.168   1.078
   93    HA   THR  15           HA       THR  15  -3.920  -1.967   3.014
   94    HB   THR  15           HB       THR  15  -4.021  -4.193   4.016
   95    HG1  THR  15           HG1      THR  15  -1.657  -2.687   4.496
   96   1HG2  THR  15          HG21      THR  15  -1.312  -5.038   3.703
   97   2HG2  THR  15          HG22      THR  15  -2.020  -4.800   2.106
   98   3HG2  THR  15          HG23      THR  15  -2.792  -5.888   3.258
   99    H    CYS  16           HN       CYS  16  -1.968  -0.951   3.765
  100    HA   CYS  16           HA       CYS  16  -0.111  -0.455   1.609
  101   1HB   CYS  16          HB2       CYS  16   0.688   0.824   4.046
  102   2HB   CYS  16          HB1       CYS  16   0.058   1.554   2.574
  103    H    SER  17           HN       SER  17   1.566  -1.755   1.287
  104    HA   SER  17           HA       SER  17   2.997  -2.791   3.647
  105   1HB   SER  17          HB2       SER  17   2.982  -4.298   1.055
  106   2HB   SER  17          HB1       SER  17   3.242  -4.898   2.693
  107    HG   SER  17           HG       SER  17   0.756  -3.818   1.917
  108    H    LEU  18           HN       LEU  18   5.137  -2.441   3.710
  109    HA   LEU  18           HA       LEU  18   6.325  -0.909   1.544
  110   1HB   LEU  18          HB2       LEU  18   6.813  -1.271   4.402
  111   2HB   LEU  18          HB1       LEU  18   8.286  -1.265   3.451
  112    HG   LEU  18           HG       LEU  18   6.211   0.927   3.526
  113   1HD1  LEU  18          HD11      LEU  18   9.048   1.282   4.334
  114   2HD1  LEU  18          HD12      LEU  18   7.953   0.469   5.452
  115   3HD1  LEU  18          HD13      LEU  18   7.596   2.107   4.903
  116   1HD2  LEU  18          HD21      LEU  18   7.053   1.004   1.349
  117   2HD2  LEU  18          HD22      LEU  18   8.675   0.537   1.860
  118   3HD2  LEU  18          HD23      LEU  18   8.063   2.148   2.234
  119    H    SER  19           HN       SER  19   7.912  -1.586   0.216
  120    HA   SER  19           HA       SER  19   8.455  -4.424   0.109
  121   1HB   SER  19          HB2       SER  19   8.954  -4.073  -2.081
  122   2HB   SER  19          HB1       SER  19   8.153  -2.523  -1.822
  123    HG   SER  19           HG       SER  19  10.311  -1.732  -1.239
  124    HA   PRO  20           HA       PRO  20  12.403  -4.613   2.064
  125   1HB   PRO  20          HB2       PRO  20  13.565  -5.765  -0.416
  126   2HB   PRO  20          HB1       PRO  20  13.535  -6.421   1.225
  127   1HG   PRO  20          HG2       PRO  20  11.951  -7.424  -0.664
  128   2HG   PRO  20          HG1       PRO  20  11.372  -7.234   1.002
  129   1HD   PRO  20          HD2       PRO  20  10.812  -5.547  -1.406
  130   2HD   PRO  20          HD1       PRO  20   9.718  -6.044  -0.098
  131    H    TYR  21           HN       TYR  21  12.001  -2.923  -0.875
  132    HA   TYR  21           HA       TYR  21  14.605  -1.587  -0.534
  133   1HB   TYR  21          HB2       TYR  21  13.202  -1.093  -3.063
  134   2HB   TYR  21          HB1       TYR  21  14.881  -1.535  -2.774
  135    HD1  TYR  21           HD1      TYR  21  11.867  -2.604  -4.186
  136    HD2  TYR  21           HD2      TYR  21  15.207  -4.064  -1.990
  137    HE1  TYR  21           HE1      TYR  21  11.396  -4.879  -4.992
  138    HE2  TYR  21           HE2      TYR  21  14.745  -6.342  -2.791
  139    HH   TYR  21           HH       TYR  21  13.506  -7.602  -4.150
  140    H    GLY  22           HN       GLY  22  11.981  -1.075   0.812
  141   1HA   GLY  22          HA2       GLY  22  10.810   0.753   1.549
  142   2HA   GLY  22          HA1       GLY  22  12.091   1.735   0.851
  143    H    VAL  23           HN       VAL  23   9.595  -0.406  -0.518
  144    HA   VAL  23           HA       VAL  23   8.682   1.869  -2.152
  145    HB   VAL  23           HB       VAL  23   8.677  -1.014  -3.052
  146   1HG1  VAL  23          HG11      VAL  23   7.700   1.532  -4.173
  147   2HG1  VAL  23          HG12      VAL  23   7.122  -0.116  -4.419
  148   3HG1  VAL  23          HG13      VAL  23   8.540   0.461  -5.295
  149   1HG2  VAL  23          HG21      VAL  23  10.886   0.722  -2.864
  150   2HG2  VAL  23          HG22      VAL  23  10.445   0.648  -4.570
  151   3HG2  VAL  23          HG23      VAL  23  10.798  -0.836  -3.686
  152    H    TRP  24           HN       TRP  24   6.703   2.442  -1.543
  153    HA   TRP  24           HA       TRP  24   4.995   0.728  -0.032
  154   1HB   TRP  24          HB2       TRP  24   4.555   3.440  -1.285
  155   2HB   TRP  24          HB1       TRP  24   3.341   2.617  -0.312
  156    HD1  TRP  24           HD1      TRP  24   6.369   4.798  -0.028
  157    HE1  TRP  24           HE1      TRP  24   6.911   5.219   2.453
  158    HE3  TRP  24           HE3      TRP  24   3.251   1.339   2.084
  159    HZ2  TRP  24           HZ2      TRP  24   6.122   4.218   4.971
  160    HZ3  TRP  24           HZ3      TRP  24   3.205   1.135   4.536
  161    HH2  TRP  24           HH2      TRP  24   4.611   2.545   5.948
  162    H    TYR  25           HN       TYR  25   3.668  -0.780  -0.783
  163    HA   TYR  25           HA       TYR  25   2.384  -0.380  -3.382
  164   1HB   TYR  25          HB2       TYR  25   2.810  -2.696  -4.046
  165   2HB   TYR  25          HB1       TYR  25   4.320  -1.829  -3.797
  166    HD1  TYR  25           HD1      TYR  25   5.828  -2.448  -2.020
  167    HD2  TYR  25           HD2      TYR  25   2.105  -4.453  -2.487
  168    HE1  TYR  25           HE1      TYR  25   6.596  -4.217  -0.494
  169    HE2  TYR  25           HE2      TYR  25   2.862  -6.226  -0.960
  170    HH   TYR  25           HH       TYR  25   5.161  -7.168  -0.228
  171    H    CYS  26           HN       CYS  26   0.428  -1.555  -3.676
  172    HA   CYS  26           HA       CYS  26  -0.976  -1.987  -1.167
  173   1HB   CYS  26          HB2       CYS  26  -2.377  -2.318  -3.765
  174   2HB   CYS  26          HB1       CYS  26  -2.902  -1.501  -2.296
  175    H    SER  27           HN       SER  27  -1.394  -3.914  -0.338
  176    HA   SER  27           HA       SER  27  -1.107  -6.281  -2.071
  177   1HB   SER  27          HB2       SER  27   0.535  -5.869  -0.092
  178   2HB   SER  27          HB1       SER  27  -0.816  -6.382   0.918
  179    HG   SER  27           HG       SER  27  -0.629  -8.127  -1.043
  180    HA   PRO  28           HA       PRO  28  -5.496  -6.711  -1.221
  181   1HB   PRO  28          HB2       PRO  28  -5.813  -9.092  -2.518
  182   2HB   PRO  28          HB1       PRO  28  -5.755  -7.531  -3.343
  183   1HG   PRO  28          HG2       PRO  28  -3.586  -9.561  -2.979
  184   2HG   PRO  28          HG1       PRO  28  -4.009  -8.621  -4.422
  185   1HD   PRO  28          HD2       PRO  28  -1.940  -7.946  -2.835
  186   2HD   PRO  28          HD1       PRO  28  -2.931  -6.725  -3.659
  187    H    PHE  29           HN       PHE  29  -6.618  -7.679   0.377
  188    HA   PHE  29           HA       PHE  29  -5.573 -10.152   1.554
  189   1HB   PHE  29          HB2       PHE  29  -5.964  -9.219   3.833
  190   2HB   PHE  29          HB1       PHE  29  -4.670  -8.409   2.958
  191    HD1  PHE  29           HD1      PHE  29  -8.121  -8.102   4.181
  192    HD2  PHE  29           HD2      PHE  29  -4.842  -6.112   2.338
  193    HE1  PHE  29           HE1      PHE  29  -9.221  -5.936   4.571
  194    HE2  PHE  29           HE2      PHE  29  -5.936  -3.943   2.725
  195    HZ   PHE  29           HZ       PHE  29  -8.128  -3.853   3.843
  196    H    SER  30           HN       SER  30  -7.172 -11.096   3.145
  197    HA   SER  30           HA       SER  30  -9.927 -10.330   2.868
  198   1HB   SER  30          HB2       SER  30  -9.440 -11.592   0.739
  199   2HB   SER  30          HB1       SER  30  -9.119 -13.014   1.732
  200    HG   SER  30           HG       SER  30 -11.475 -11.859   2.398
  Start of MODEL    2
    1   1H    VAL   1          HT1       VAL   1  10.784   5.595  -0.037
    2   2H    VAL   1          HT2       VAL   1  11.383   4.028   0.175
    3   3H    VAL   1          HT3       VAL   1  11.346   5.103   1.481
    4    HA   VAL   1           HA       VAL   1   9.569   3.352   1.449
    5    HB   VAL   1           HB       VAL   1   7.722   5.111   1.912
    6   1HG1  VAL   1          HG11      VAL   1  10.244   5.380   3.528
    7   2HG1  VAL   1          HG12      VAL   1   9.232   3.936   3.567
    8   3HG1  VAL   1          HG13      VAL   1   8.573   5.489   4.082
    9   1HG2  VAL   1          HG21      VAL   1   8.121   7.253   1.474
   10   2HG2  VAL   1          HG22      VAL   1   9.601   6.760   0.651
   11   3HG2  VAL   1          HG23      VAL   1   9.646   7.199   2.359
   12    H    ILE   2           HN       ILE   2   7.067   3.557   0.841
   13    HA   ILE   2           HA       ILE   2   6.993   3.650  -2.097
   14    HB   ILE   2           HB       ILE   2   4.971   2.214  -0.410
   15   1HG1  ILE   2          HG12      ILE   2   7.172   1.374   0.285
   16   2HG1  ILE   2          HG11      ILE   2   6.290   0.158  -0.632
   17   1HG2  ILE   2          HG21      ILE   2   4.336   1.169  -2.345
   18   2HG2  ILE   2          HG22      ILE   2   5.924   1.345  -3.092
   19   3HG2  ILE   2          HG23      ILE   2   4.847   2.736  -2.972
   20   1HD1  ILE   2          HD11      ILE   2   7.794   0.144  -2.303
   21   2HD1  ILE   2          HD12      ILE   2   8.864   0.773  -1.050
   22   3HD1  ILE   2          HD13      ILE   2   8.099   1.878  -2.192
   23    H    HIS   3           HN       HIS   3   5.863   5.223  -3.004
   24    HA   HIS   3           HA       HIS   3   3.622   6.408  -1.502
   25   1HB   HIS   3          HB2       HIS   3   5.733   7.724  -3.197
   26   2HB   HIS   3          HB1       HIS   3   4.177   8.499  -2.920
   27    HD1  HIS   3           HD1      HIS   3   4.735  10.341  -1.344
   28    HD2  HIS   3           HD2      HIS   3   6.422   6.724  -0.186
   29    HE1  HIS   3           HE1      HIS   3   5.774  10.773   0.905
   30    HE2  HIS   3           HE2      HIS   3   6.838   8.585   1.561
   31    H    CYS   4           HN       CYS   4   1.721   6.053  -2.441
   32    HA   CYS   4           HA       CYS   4   1.659   5.698  -5.365
   33   1HB   CYS   4          HB2       CYS   4   0.508   4.091  -3.179
   34   2HB   CYS   4          HB1       CYS   4  -0.579   4.397  -4.529
   35    H    ASP   5           HN       ASP   5   0.424   7.427  -2.679
   36    HA   ASP   5           HA       ASP   5  -1.295   8.957  -4.467
   37   1HB   ASP   5          HB2       ASP   5  -2.990   8.903  -2.399
   38   2HB   ASP   5          HB1       ASP   5  -3.070   7.732  -3.712
   39    H    ALA   6           HN       ALA   6   1.150   9.016  -2.437
   40    HA   ALA   6           HA       ALA   6   2.165  10.565  -1.113
   41   1HB   ALA   6          HB1       ALA   6   1.248  11.888  -3.275
   42   2HB   ALA   6          HB2       ALA   6   2.199  12.639  -1.993
   43   3HB   ALA   6          HB3       ALA   6   0.442  12.787  -1.989
   44    H    ALA   7           HN       ALA   7  -0.436   9.273  -0.249
   45    HA   ALA   7           HA       ALA   7  -1.048  11.159   1.932
   46   1HB   ALA   7          HB1       ALA   7  -3.241   9.427   1.652
   47   2HB   ALA   7          HB2       ALA   7  -2.829   9.971   0.026
   48   3HB   ALA   7          HB3       ALA   7  -3.174  11.151   1.291
   49    H    THR   8           HN       THR   8  -1.177   7.724   1.002
   50    HA   THR   8           HA       THR   8  -0.720   7.005   3.815
   51    HB   THR   8           HB       THR   8  -1.478   5.027   1.685
   52    HG1  THR   8           HG1      THR   8  -3.692   5.589   2.819
   53   1HG2  THR   8          HG21      THR   8  -1.060   4.976   4.513
   54   2HG2  THR   8          HG22      THR   8  -1.445   3.641   3.427
   55   3HG2  THR   8          HG23      THR   8  -2.744   4.575   4.170
   56    H    ILE   9           HN       ILE   9   1.498   7.252   3.933
   57    HA   ILE   9           HA       ILE   9   3.315   6.252   2.004
   58    HB   ILE   9           HB       ILE   9   3.917   6.760   4.915
   59   1HG1  ILE   9          HG12      ILE   9   4.158   8.772   2.681
   60   2HG1  ILE   9          HG11      ILE   9   2.716   8.656   3.685
   61   1HG2  ILE   9          HG21      ILE   9   5.542   5.625   3.167
   62   2HG2  ILE   9          HG22      ILE   9   6.129   6.788   4.356
   63   3HG2  ILE   9          HG23      ILE   9   5.819   7.303   2.698
   64   1HD1  ILE   9          HD11      ILE   9   4.436   8.877   5.642
   65   2HD1  ILE   9          HD12      ILE   9   3.876  10.300   4.762
   66   3HD1  ILE   9          HD13      ILE   9   5.447   9.593   4.387
   67    H    CYS  10           HN       CYS  10   4.354   4.344   1.827
   68    HA   CYS  10           HA       CYS  10   3.653   2.241   3.770
   69   1HB   CYS  10          HB2       CYS  10   3.859   2.214   0.783
   70   2HB   CYS  10          HB1       CYS  10   4.207   0.739   1.678
   71    HA   PRO  11           HA       PRO  11   7.991   1.598   4.361
   72   1HB   PRO  11          HB2       PRO  11   8.126  -0.994   5.037
   73   2HB   PRO  11          HB1       PRO  11   7.324   0.191   6.074
   74   1HG   PRO  11          HG2       PRO  11   6.126  -1.776   4.167
   75   2HG   PRO  11          HG1       PRO  11   5.585  -1.320   5.792
   76   1HD   PRO  11          HD2       PRO  11   4.501  -0.331   3.467
   77   2HD   PRO  11          HD1       PRO  11   4.452   0.512   5.027
   78    H    ASP  12           HN       ASP  12   9.845   1.003   3.284
   79    HA   ASP  12           HA       ASP  12   9.653   0.279   0.580
   80   1HB   ASP  12          HB2       ASP  12  11.568   1.491   1.091
   81   2HB   ASP  12          HB1       ASP  12  11.933   0.519   2.513
   82    H    GLY  13           HN       GLY  13   8.966  -1.623  -0.120
   83   1HA   GLY  13          HA2       GLY  13   9.963  -3.931  -0.456
   84   2HA   GLY  13          HA1       GLY  13   9.872  -4.051   1.294
   85    H    THR  14           HN       THR  14   7.297  -2.323  -0.109
   86    HA   THR  14           HA       THR  14   5.608  -4.713  -0.293
   87    HB   THR  14           HB       THR  14   3.812  -3.194   0.903
   88    HG1  THR  14           HG1      THR  14   4.649  -1.735   2.294
   89   1HG2  THR  14          HG21      THR  14   4.162  -4.404   2.890
   90   2HG2  THR  14          HG22      THR  14   5.905  -4.484   2.635
   91   3HG2  THR  14          HG23      THR  14   4.820  -5.431   1.617
   92    H    THR  15           HN       THR  15   3.652  -4.407  -1.490
   93    HA   THR  15           HA       THR  15   3.842  -2.167  -3.383
   94    HB   THR  15           HB       THR  15   3.928  -4.282  -4.512
   95    HG1  THR  15           HG1      THR  15   2.184  -3.988  -5.892
   96   1HG2  THR  15          HG21      THR  15   2.914  -6.105  -3.736
   97   2HG2  THR  15          HG22      THR  15   1.334  -5.362  -3.988
   98   3HG2  THR  15          HG23      THR  15   2.182  -5.135  -2.459
   99    H    CYS  16           HN       CYS  16   1.939  -1.063  -4.048
  100    HA   CYS  16           HA       CYS  16   0.140  -0.515  -1.899
  101   1HB   CYS  16          HB2       CYS  16  -0.246   0.421  -4.731
  102   2HB   CYS  16          HB1       CYS  16  -0.700   1.231  -3.236
  103    H    SER  17           HN       SER  17  -1.523  -1.769  -1.383
  104    HA   SER  17           HA       SER  17  -3.044  -3.038  -3.568
  105   1HB   SER  17          HB2       SER  17  -1.655  -4.451  -1.763
  106   2HB   SER  17          HB1       SER  17  -3.143  -4.229  -0.845
  107    HG   SER  17           HG       SER  17  -4.279  -5.227  -2.489
  108    H    LEU  18           HN       LEU  18  -5.155  -2.565  -3.672
  109    HA   LEU  18           HA       LEU  18  -6.271  -0.854  -1.587
  110   1HB   LEU  18          HB2       LEU  18  -6.734  -1.248  -4.458
  111   2HB   LEU  18          HB1       LEU  18  -8.199  -1.032  -3.520
  112    HG   LEU  18           HG       LEU  18  -5.869   0.889  -3.592
  113   1HD1  LEU  18          HD11      LEU  18  -8.588   1.550  -4.591
  114   2HD1  LEU  18          HD12      LEU  18  -7.536   0.568  -5.610
  115   3HD1  LEU  18          HD13      LEU  18  -7.015   2.171  -5.091
  116   1HD2  LEU  18          HD21      LEU  18  -8.544   1.046  -2.207
  117   2HD2  LEU  18          HD22      LEU  18  -7.413   2.390  -2.371
  118   3HD2  LEU  18          HD23      LEU  18  -6.957   0.962  -1.441
  119    H    SER  19           HN       SER  19  -8.036  -1.342  -0.379
  120    HA   SER  19           HA       SER  19  -8.767  -4.147  -0.217
  121   1HB   SER  19          HB2       SER  19  -8.445  -2.129   1.660
  122   2HB   SER  19          HB1       SER  19 -10.196  -2.324   1.566
  123    HG   SER  19           HG       SER  19  -8.474  -4.545   1.824
  124    HA   PRO  20           HA       PRO  20 -12.666  -4.052  -2.278
  125   1HB   PRO  20          HB2       PRO  20 -14.021  -5.043   0.170
  126   2HB   PRO  20          HB1       PRO  20 -13.959  -5.749  -1.449
  127   1HG   PRO  20          HG2       PRO  20 -12.556  -6.805   0.556
  128   2HG   PRO  20          HG1       PRO  20 -11.890  -6.730  -1.087
  129   1HD   PRO  20          HD2       PRO  20 -11.299  -4.998   1.282
  130   2HD   PRO  20          HD1       PRO  20 -10.192  -5.638   0.048
  131    H    TYR  21           HN       TYR  21 -12.169  -2.244   0.545
  132    HA   TYR  21           HA       TYR  21 -14.669  -0.747   0.099
  133   1HB   TYR  21          HB2       TYR  21 -13.348  -0.297   2.676
  134   2HB   TYR  21          HB1       TYR  21 -15.041  -0.625   2.319
  135    HD1  TYR  21           HD1      TYR  21 -15.591  -3.110   1.677
  136    HD2  TYR  21           HD2      TYR  21 -12.100  -1.902   3.789
  137    HE1  TYR  21           HE1      TYR  21 -15.331  -5.396   2.541
  138    HE2  TYR  21           HE2      TYR  21 -11.832  -4.186   4.662
  139    HH   TYR  21           HH       TYR  21 -12.491  -6.378   4.320
  140    H    GLY  22           HN       GLY  22 -11.944  -0.473  -1.129
  141   1HA   GLY  22          HA2       GLY  22 -10.637   1.264  -1.867
  142   2HA   GLY  22          HA1       GLY  22 -11.842   2.349  -1.191
  143    H    VAL  23           HN       VAL  23  -9.701  -0.026   0.360
  144    HA   VAL  23           HA       VAL  23  -8.643   2.170   2.016
  145    HB   VAL  23           HB       VAL  23  -8.850  -0.759   2.737
  146   1HG1  VAL  23          HG11      VAL  23  -7.406   1.492   3.909
  147   2HG1  VAL  23          HG12      VAL  23  -7.208  -0.241   4.167
  148   3HG1  VAL  23          HG13      VAL  23  -8.447   0.646   5.054
  149   1HG2  VAL  23          HG21      VAL  23 -10.940   0.888   2.627
  150   2HG2  VAL  23          HG22      VAL  23 -10.329   1.338   4.218
  151   3HG2  VAL  23          HG23      VAL  23 -10.767  -0.337   3.884
  152    H    TRP  24           HN       TRP  24  -6.626   2.701   1.562
  153    HA   TRP  24           HA       TRP  24  -4.940   1.016  -0.034
  154   1HB   TRP  24          HB2       TRP  24  -4.601   3.727   1.227
  155   2HB   TRP  24          HB1       TRP  24  -3.259   2.911   0.430
  156    HD1  TRP  24           HD1      TRP  24  -6.192   5.085  -0.275
  157    HE1  TRP  24           HE1      TRP  24  -6.478   5.393  -2.814
  158    HE3  TRP  24           HE3      TRP  24  -2.975   1.459  -1.898
  159    HZ2  TRP  24           HZ2      TRP  24  -5.473   4.248  -5.191
  160    HZ3  TRP  24           HZ3      TRP  24  -2.696   1.129  -4.320
  161    HH2  TRP  24           HH2      TRP  24  -3.919   2.495  -5.931
  162    H    TYR  25           HN       TYR  25  -3.753  -0.582   0.735
  163    HA   TYR  25           HA       TYR  25  -2.363  -0.221   3.282
  164   1HB   TYR  25          HB2       TYR  25  -2.911  -2.479   4.023
  165   2HB   TYR  25          HB1       TYR  25  -4.380  -1.542   3.782
  166    HD1  TYR  25           HD1      TYR  25  -5.926  -2.093   1.981
  167    HD2  TYR  25           HD2      TYR  25  -2.370  -4.355   2.583
  168    HE1  TYR  25           HE1      TYR  25  -6.815  -3.870   0.534
  169    HE2  TYR  25           HE2      TYR  25  -3.251  -6.134   1.134
  170    HH   TYR  25           HH       TYR  25  -5.830  -6.861   0.475
  171    H    CYS  26           HN       CYS  26  -0.400  -1.307   3.456
  172    HA   CYS  26           HA       CYS  26   0.826  -1.943   0.913
  173   1HB   CYS  26          HB2       CYS  26   2.354  -2.249   3.440
  174   2HB   CYS  26          HB1       CYS  26   2.827  -1.497   1.920
  175    H    SER  27           HN       SER  27   1.026  -3.922   0.120
  176    HA   SER  27           HA       SER  27   0.835  -6.200   1.977
  177   1HB   SER  27          HB2       SER  27  -1.091  -6.227   0.563
  178   2HB   SER  27          HB1       SER  27  -0.117  -5.922  -0.874
  179    HG   SER  27           HG       SER  27  -0.789  -8.157  -0.527
  180    HA   PRO  28           HA       PRO  28   5.005  -7.027   0.587
  181   1HB   PRO  28          HB2       PRO  28   5.369  -9.348   1.927
  182   2HB   PRO  28          HB1       PRO  28   5.399  -7.774   2.730
  183   1HG   PRO  28          HG2       PRO  28   3.174  -9.772   2.563
  184   2HG   PRO  28          HG1       PRO  28   3.735  -8.839   3.963
  185   1HD   PRO  28          HD2       PRO  28   1.556  -8.133   2.513
  186   2HD   PRO  28          HD1       PRO  28   2.602  -6.943   3.313
  187    H    PHE  29           HN       PHE  29   6.052  -8.409  -0.856
  188    HA   PHE  29           HA       PHE  29   4.274 -10.275  -2.274
  189   1HB   PHE  29          HB2       PHE  29   6.389  -9.897  -3.968
  190   2HB   PHE  29          HB1       PHE  29   4.876  -9.002  -4.034
  191    HD1  PHE  29           HD1      PHE  29   8.275  -8.906  -2.531
  192    HD2  PHE  29           HD2      PHE  29   4.880  -6.694  -3.831
  193    HE1  PHE  29           HE1      PHE  29   9.509  -6.808  -2.172
  194    HE2  PHE  29           HE2      PHE  29   6.108  -4.592  -3.474
  195    HZ   PHE  29           HZ       PHE  29   8.426  -4.648  -2.644
  196    H    SER  30           HN       SER  30   7.358  -9.932  -0.688
  197    HA   SER  30           HA       SER  30   8.576 -12.314  -1.556
  198   1HB   SER  30          HB2       SER  30   9.981 -10.746  -0.479
  199   2HB   SER  30          HB1       SER  30   8.915 -10.628   0.921
  200    HG   SER  30           HG       SER  30  10.275 -12.033   1.715
  Start of MODEL    3
    1   1H    VAL   1          HT1       VAL   1  11.435  -3.510  -0.785
    2   2H    VAL   1          HT2       VAL   1  11.352  -4.583  -2.090
    3   3H    VAL   1          HT3       VAL   1  10.920  -5.103  -0.539
    4    HA   VAL   1           HA       VAL   1   9.507  -2.902  -1.904
    5    HB   VAL   1           HB       VAL   1   7.720  -4.732  -2.299
    6   1HG1  VAL   1          HG11      VAL   1   8.373  -3.911  -4.290
    7   2HG1  VAL   1          HG12      VAL   1   9.237  -5.443  -4.422
    8   3HG1  VAL   1          HG13      VAL   1  10.086  -3.995  -3.881
    9   1HG2  VAL   1          HG21      VAL   1  10.157  -6.498  -2.398
   10   2HG2  VAL   1          HG22      VAL   1   8.468  -6.962  -2.598
   11   3HG2  VAL   1          HG23      VAL   1   9.060  -6.450  -1.018
   12    H    ILE   2           HN       ILE   2   6.979  -3.735  -1.167
   13    HA   ILE   2           HA       ILE   2   7.125  -3.715   1.778
   14    HB   ILE   2           HB       ILE   2   4.860  -2.449   0.275
   15   1HG1  ILE   2          HG12      ILE   2   6.938  -1.405  -0.558
   16   2HG1  ILE   2          HG11      ILE   2   5.972  -0.284   0.394
   17   1HG2  ILE   2          HG21      ILE   2   5.397  -1.046   2.602
   18   2HG2  ILE   2          HG22      ILE   2   5.687  -2.731   3.034
   19   3HG2  ILE   2          HG23      ILE   2   4.128  -2.248   2.365
   20   1HD1  ILE   2          HD11      ILE   2   8.462  -1.723   1.271
   21   2HD1  ILE   2          HD12      ILE   2   7.458  -0.725   2.323
   22   3HD1  ILE   2          HD13      ILE   2   8.281   0.000   0.941
   23    H    HIS   3           HN       HIS   3   5.857  -5.118   2.868
   24    HA   HIS   3           HA       HIS   3   3.742  -6.538   1.420
   25   1HB   HIS   3          HB2       HIS   3   6.055  -7.815   2.875
   26   2HB   HIS   3          HB1       HIS   3   4.550  -8.675   2.564
   27    HD1  HIS   3           HD1      HIS   3   4.183  -9.584   0.230
   28    HD2  HIS   3           HD2      HIS   3   7.569  -7.195   0.534
   29    HE1  HIS   3           HE1      HIS   3   5.421  -9.894  -1.937
   30    HE2  HIS   3           HE2      HIS   3   7.484  -8.463  -1.719
   31    H    CYS   4           HN       CYS   4   2.258  -5.335   2.638
   32    HA   CYS   4           HA       CYS   4   2.329  -5.374   5.513
   33   1HB   CYS   4          HB2       CYS   4   0.467  -4.276   3.441
   34   2HB   CYS   4          HB1       CYS   4  -0.084  -4.418   5.106
   35    H    ASP   5           HN       ASP   5   0.137  -6.736   3.055
   36    HA   ASP   5           HA       ASP   5  -0.735  -8.711   5.061
   37   1HB   ASP   5          HB2       ASP   5  -2.199  -7.295   2.868
   38   2HB   ASP   5          HB1       ASP   5  -2.733  -8.901   3.357
   39    H    ALA   6           HN       ALA   6   1.436  -8.560   2.792
   40    HA   ALA   6           HA       ALA   6   2.443 -10.003   1.348
   41   1HB   ALA   6          HB1       ALA   6   1.716 -11.454   3.565
   42   2HB   ALA   6          HB2       ALA   6   2.793 -12.002   2.280
   43   3HB   ALA   6          HB3       ALA   6   1.080 -12.420   2.234
   44    H    ALA   7           HN       ALA   7  -0.282  -8.898   0.714
   45    HA   ALA   7           HA       ALA   7  -1.076 -10.897  -1.302
   46   1HB   ALA   7          HB1       ALA   7  -2.750 -10.267   0.516
   47   2HB   ALA   7          HB2       ALA   7  -3.305 -10.183  -1.156
   48   3HB   ALA   7          HB3       ALA   7  -2.866  -8.706  -0.297
   49    H    THR   8           HN       THR   8  -1.117  -7.372  -0.741
   50    HA   THR   8           HA       THR   8  -0.711  -6.982  -3.627
   51    HB   THR   8           HB       THR   8  -1.679  -5.007  -1.550
   52    HG1  THR   8           HG1      THR   8  -3.676  -5.420  -2.334
   53   1HG2  THR   8          HG21      THR   8  -1.887  -4.572  -4.497
   54   2HG2  THR   8          HG22      THR   8  -0.359  -4.229  -3.686
   55   3HG2  THR   8          HG23      THR   8  -1.830  -3.392  -3.188
   56    H    ILE   9           HN       ILE   9   1.453  -7.039  -3.944
   57    HA   ILE   9           HA       ILE   9   3.366  -5.968  -2.137
   58    HB   ILE   9           HB       ILE   9   3.897  -6.377  -5.067
   59   1HG1  ILE   9          HG12      ILE   9   3.997  -8.584  -3.010
   60   2HG1  ILE   9          HG11      ILE   9   2.591  -8.316  -4.035
   61   1HG2  ILE   9          HG21      ILE   9   5.476  -6.160  -2.589
   62   2HG2  ILE   9          HG22      ILE   9   5.881  -5.693  -4.242
   63   3HG2  ILE   9          HG23      ILE   9   6.016  -7.380  -3.743
   64   1HD1  ILE   9          HD11      ILE   9   5.294  -9.324  -4.746
   65   2HD1  ILE   9          HD12      ILE   9   4.359  -8.451  -5.960
   66   3HD1  ILE   9          HD13      ILE   9   3.703  -9.913  -5.226
   67    H    CYS  10           HN       CYS  10   4.093  -3.948  -1.906
   68    HA   CYS  10           HA       CYS  10   3.388  -1.979  -3.982
   69   1HB   CYS  10          HB2       CYS  10   3.202  -1.864  -1.008
   70   2HB   CYS  10          HB1       CYS  10   3.592  -0.382  -1.873
   71    HA   PRO  11           HA       PRO  11   7.647  -0.958  -4.494
   72   1HB   PRO  11          HB2       PRO  11   6.829   1.896  -4.459
   73   2HB   PRO  11          HB1       PRO  11   7.686   0.985  -5.708
   74   1HG   PRO  11          HG2       PRO  11   5.135   1.670  -6.040
   75   2HG   PRO  11          HG1       PRO  11   5.731   0.088  -6.580
   76   1HD   PRO  11          HD2       PRO  11   4.147   0.783  -4.137
   77   2HD   PRO  11          HD1       PRO  11   3.982  -0.609  -5.229
   78    H    ASP  12           HN       ASP  12   9.421  -0.306  -3.326
   79    HA   ASP  12           HA       ASP  12   9.196  -0.070  -0.556
   80   1HB   ASP  12          HB2       ASP  12  11.553   0.220  -0.512
   81   2HB   ASP  12          HB1       ASP  12  11.218  -0.829  -1.886
   82    H    GLY  13           HN       GLY  13   9.105   2.360  -3.030
   83   1HA   GLY  13          HA2       GLY  13   9.596   4.530  -1.153
   84   2HA   GLY  13          HA1       GLY  13   9.288   4.691  -2.875
   85    H    THR  14           HN       THR  14   7.151   2.704  -1.038
   86    HA   THR  14           HA       THR  14   5.245   4.873  -0.628
   87    HB   THR  14           HB       THR  14   3.446   3.320  -1.677
   88    HG1  THR  14           HG1      THR  14   4.542   1.529  -2.261
   89   1HG2  THR  14          HG21      THR  14   5.307   4.625  -3.643
   90   2HG2  THR  14          HG22      THR  14   4.336   5.572  -2.516
   91   3HG2  THR  14          HG23      THR  14   3.548   4.521  -3.692
   92    H    THR  15           HN       THR  15   3.108   3.807   0.282
   93    HA   THR  15           HA       THR  15   3.827   1.649   2.143
   94    HB   THR  15           HB       THR  15   4.000   3.706   3.416
   95    HG1  THR  15           HG1      THR  15   1.485   2.711   4.195
   96   1HG2  THR  15          HG21      THR  15   1.524   4.364   1.969
   97   2HG2  THR  15          HG22      THR  15   2.790   5.422   2.591
   98   3HG2  THR  15          HG23      THR  15   1.536   4.816   3.673
   99    H    CYS  16           HN       CYS  16   1.952   0.551   3.083
  100    HA   CYS  16           HA       CYS  16  -0.104   0.176   1.083
  101   1HB   CYS  16          HB2       CYS  16  -0.460  -1.303   3.571
  102   2HB   CYS  16          HB1       CYS  16  -0.288  -1.898   1.924
  103    H    SER  17           HN       SER  17  -1.673   1.653   1.062
  104    HA   SER  17           HA       SER  17  -2.969   2.326   3.622
  105   1HB   SER  17          HB2       SER  17  -3.282   4.119   1.259
  106   2HB   SER  17          HB1       SER  17  -3.245   4.520   2.976
  107    HG   SER  17           HG       SER  17  -1.264   4.658   1.228
  108    H    LEU  18           HN       LEU  18  -5.165   2.142   3.762
  109    HA   LEU  18           HA       LEU  18  -6.453   0.696   1.584
  110   1HB   LEU  18          HB2       LEU  18  -6.874   0.961   4.490
  111   2HB   LEU  18          HB1       LEU  18  -8.334   0.818   3.529
  112    HG   LEU  18           HG       LEU  18  -6.046  -1.154   3.534
  113   1HD1  LEU  18          HD11      LEU  18  -7.456  -2.604   4.775
  114   2HD1  LEU  18          HD12      LEU  18  -8.829  -1.510   4.617
  115   3HD1  LEU  18          HD13      LEU  18  -7.447  -1.053   5.613
  116   1HD2  LEU  18          HD21      LEU  18  -6.874  -1.794   1.567
  117   2HD2  LEU  18          HD22      LEU  18  -8.272  -0.731   1.726
  118   3HD2  LEU  18          HD23      LEU  18  -8.301  -2.340   2.449
  119    H    SER  19           HN       SER  19  -8.294   1.343   0.547
  120    HA   SER  19           HA       SER  19  -8.869   4.211   0.678
  121   1HB   SER  19          HB2       SER  19  -8.516   2.437  -1.457
  122   2HB   SER  19          HB1       SER  19 -10.250   2.755  -1.425
  123    HG   SER  19           HG       SER  19  -8.140   4.454  -1.996
  124    HA   PRO  20           HA       PRO  20 -12.893   3.902   2.472
  125   1HB   PRO  20          HB2       PRO  20 -14.099   5.139   0.051
  126   2HB   PRO  20          HB1       PRO  20 -14.176   5.658   1.740
  127   1HG   PRO  20          HG2       PRO  20 -12.646   6.960   0.001
  128   2HG   PRO  20          HG1       PRO  20 -12.087   6.672   1.660
  129   1HD   PRO  20          HD2       PRO  20 -11.336   5.252  -0.868
  130   2HD   PRO  20          HD1       PRO  20 -10.309   5.742   0.496
  131    H    TYR  21           HN       TYR  21 -12.179   2.330  -0.418
  132    HA   TYR  21           HA       TYR  21 -14.719   0.838  -0.335
  133   1HB   TYR  21          HB2       TYR  21 -13.204   0.480  -2.789
  134   2HB   TYR  21          HB1       TYR  21 -14.882   0.963  -2.571
  135    HD1  TYR  21           HD1      TYR  21 -15.252   3.456  -1.850
  136    HD2  TYR  21           HD2      TYR  21 -11.695   1.999  -3.673
  137    HE1  TYR  21           HE1      TYR  21 -14.684   5.741  -2.552
  138    HE2  TYR  21           HE2      TYR  21 -11.117   4.280  -4.384
  139    HH   TYR  21           HH       TYR  21 -11.860   6.778  -3.334
  140    H    GLY  22           HN       GLY  22 -12.083   0.471   1.106
  141   1HA   GLY  22          HA2       GLY  22 -10.821  -1.304   1.825
  142   2HA   GLY  22          HA1       GLY  22 -12.022  -2.342   1.070
  143    H    VAL  23           HN       VAL  23  -9.828   0.039  -0.384
  144    HA   VAL  23           HA       VAL  23  -8.719  -2.141  -2.025
  145    HB   VAL  23           HB       VAL  23  -8.877   0.798  -2.716
  146   1HG1  VAL  23          HG11      VAL  23  -7.253   0.297  -4.160
  147   2HG1  VAL  23          HG12      VAL  23  -8.456  -0.656  -5.029
  148   3HG1  VAL  23          HG13      VAL  23  -7.402  -1.433  -3.847
  149   1HG2  VAL  23          HG21      VAL  23 -10.894  -1.141  -2.802
  150   2HG2  VAL  23          HG22      VAL  23 -10.337  -0.957  -4.466
  151   3HG2  VAL  23          HG23      VAL  23 -10.902   0.450  -3.564
  152    H    TRP  24           HN       TRP  24  -6.584  -2.508  -1.983
  153    HA   TRP  24           HA       TRP  24  -4.966  -0.916  -0.160
  154   1HB   TRP  24          HB2       TRP  24  -4.607  -3.593  -1.483
  155   2HB   TRP  24          HB1       TRP  24  -3.259  -2.780  -0.695
  156    HD1  TRP  24           HD1      TRP  24  -6.087  -5.056   0.021
  157    HE1  TRP  24           HE1      TRP  24  -6.349  -5.392   2.559
  158    HE3  TRP  24           HE3      TRP  24  -3.044  -1.288   1.659
  159    HZ2  TRP  24           HZ2      TRP  24  -5.393  -4.216   4.941
  160    HZ3  TRP  24           HZ3      TRP  24  -2.772  -0.960   4.082
  161    HH2  TRP  24           HH2      TRP  24  -3.923  -2.395   5.688
  162    H    TYR  25           HN       TYR  25  -4.154   0.878  -1.067
  163    HA   TYR  25           HA       TYR  25  -2.775   0.588  -3.653
  164   1HB   TYR  25          HB2       TYR  25  -3.232   2.960  -4.075
  165   2HB   TYR  25          HB1       TYR  25  -4.727   2.063  -3.837
  166    HD1  TYR  25           HD1      TYR  25  -6.105   2.443  -1.869
  167    HD2  TYR  25           HD2      TYR  25  -2.487   4.608  -2.451
  168    HE1  TYR  25           HE1      TYR  25  -6.791   4.047  -0.135
  169    HE2  TYR  25           HE2      TYR  25  -3.163   6.215  -0.718
  170    HH   TYR  25           HH       TYR  25  -4.996   6.980   0.470
  171    H    CYS  26           HN       CYS  26  -0.814   1.762  -3.930
  172    HA   CYS  26           HA       CYS  26   0.662   2.035  -1.433
  173   1HB   CYS  26          HB2       CYS  26   1.935   2.408  -4.111
  174   2HB   CYS  26          HB1       CYS  26   2.593   1.678  -2.650
  175    H    SER  27           HN       SER  27   0.833   3.941  -0.487
  176    HA   SER  27           HA       SER  27   0.614   6.371  -2.124
  177   1HB   SER  27          HB2       SER  27  -0.630   5.633   0.290
  178   2HB   SER  27          HB1       SER  27   0.545   6.877   0.718
  179    HG   SER  27           HG       SER  27  -0.523   7.848  -1.375
  180    HA   PRO  28           HA       PRO  28   4.947   7.024  -1.347
  181   1HB   PRO  28          HB2       PRO  28   5.165   9.523  -2.335
  182   2HB   PRO  28          HB1       PRO  28   4.955   8.111  -3.377
  183   1HG   PRO  28          HG2       PRO  28   2.919  10.101  -2.450
  184   2HG   PRO  28          HG1       PRO  28   3.145   9.404  -4.065
  185   1HD   PRO  28          HD2       PRO  28   1.257   8.521  -2.315
  186   2HD   PRO  28          HD1       PRO  28   2.024   7.472  -3.523
  187    H    PHE  29           HN       PHE  29   6.148   7.820   0.286
  188    HA   PHE  29           HA       PHE  29   5.138  10.086   1.839
  189   1HB   PHE  29          HB2       PHE  29   5.521   8.925   3.957
  190   2HB   PHE  29          HB1       PHE  29   4.328   8.072   2.986
  191    HD1  PHE  29           HD1      PHE  29   4.879   5.929   1.944
  192    HD2  PHE  29           HD2      PHE  29   7.642   7.946   4.474
  193    HE1  PHE  29           HE1      PHE  29   6.177   3.853   2.176
  194    HE2  PHE  29           HE2      PHE  29   8.948   5.875   4.707
  195    HZ   PHE  29           HZ       PHE  29   8.216   3.824   3.556
  196    H    SER  30           HN       SER  30   6.880  10.529   3.677
  197    HA   SER  30           HA       SER  30   9.593   9.953   2.985
  198   1HB   SER  30          HB2       SER  30   9.001  11.661   1.260
  199   2HB   SER  30          HB1       SER  30   8.654  12.800   2.561
  200    HG   SER  30           HG       SER  30  11.043  11.799   3.037
  Start of MODEL    4
    1   1H    VAL   1          HT1       VAL   1 -11.551  -4.547   1.599
    2   2H    VAL   1          HT2       VAL   1 -11.117  -4.488  -0.035
    3   3H    VAL   1          HT3       VAL   1 -11.677  -3.094   0.740
    4    HA   VAL   1           HA       VAL   1  -9.738  -2.675   1.778
    5    HB   VAL   1           HB       VAL   1  -8.078  -4.432   2.347
    6   1HG1  VAL   1          HG11      VAL   1  -9.117  -4.824   4.298
    7   2HG1  VAL   1          HG12      VAL   1 -10.521  -5.553   3.520
    8   3HG1  VAL   1          HG13      VAL   1 -10.387  -3.798   3.632
    9   1HG2  VAL   1          HG21      VAL   1  -8.188  -6.528   1.583
   10   2HG2  VAL   1          HG22      VAL   1  -9.401  -5.934   0.449
   11   3HG2  VAL   1          HG23      VAL   1  -9.902  -6.666   1.973
   12    H    ILE   2           HN       ILE   2  -7.188  -3.537   1.140
   13    HA   ILE   2           HA       ILE   2  -7.128  -3.254  -1.794
   14    HB   ILE   2           HB       ILE   2  -5.001  -2.163   0.030
   15   1HG1  ILE   2          HG12      ILE   2  -7.138  -1.086   0.616
   16   2HG1  ILE   2          HG11      ILE   2  -6.042   0.043  -0.171
   17   1HG2  ILE   2          HG21      ILE   2  -4.951  -0.622  -2.157
   18   2HG2  ILE   2          HG22      ILE   2  -5.584  -2.109  -2.864
   19   3HG2  ILE   2          HG23      ILE   2  -4.039  -2.125  -2.014
   20   1HD1  ILE   2          HD11      ILE   2  -8.462   0.147  -0.865
   21   2HD1  ILE   2          HD12      ILE   2  -8.209  -1.408  -1.657
   22   3HD1  ILE   2          HD13      ILE   2  -7.284   0.004  -2.170
   23    H    HIS   3           HN       HIS   3  -6.241  -4.932  -2.781
   24    HA   HIS   3           HA       HIS   3  -4.083  -6.406  -1.422
   25   1HB   HIS   3          HB2       HIS   3  -6.585  -7.415  -2.666
   26   2HB   HIS   3          HB1       HIS   3  -5.122  -8.347  -2.965
   27    HD1  HIS   3           HD1      HIS   3  -3.912  -9.332  -0.817
   28    HD2  HIS   3           HD2      HIS   3  -7.694  -7.737  -0.173
   29    HE1  HIS   3           HE1      HIS   3  -4.635 -10.203   1.428
   30    HE2  HIS   3           HE2      HIS   3  -6.886  -9.149   1.837
   31    H    CYS   4           HN       CYS   4  -2.568  -5.151  -2.593
   32    HA   CYS   4           HA       CYS   4  -2.594  -5.012  -5.440
   33   1HB   CYS   4          HB2       CYS   4  -0.803  -4.151  -3.257
   34   2HB   CYS   4          HB1       CYS   4  -0.009  -4.483  -4.793
   35    H    ASP   5           HN       ASP   5  -0.407  -6.724  -3.193
   36    HA   ASP   5           HA       ASP   5   0.097  -8.678  -5.342
   37   1HB   ASP   5          HB2       ASP   5   1.895  -7.292  -3.469
   38   2HB   ASP   5          HB1       ASP   5   2.182  -9.024  -3.606
   39    H    ALA   6           HN       ALA   6  -2.086  -8.777  -3.446
   40    HA   ALA   6           HA       ALA   6  -3.166 -10.249  -2.092
   41   1HB   ALA   6          HB1       ALA   6  -1.961 -11.752  -3.967
   42   2HB   ALA   6          HB2       ALA   6  -2.982 -12.417  -2.692
   43   3HB   ALA   6          HB3       ALA   6  -1.228 -12.432  -2.514
   44    H    ALA   7           HN       ALA   7  -0.599  -8.778  -1.203
   45    HA   ALA   7           HA       ALA   7  -0.426 -10.133   1.393
   46   1HB   ALA   7          HB1       ALA   7   1.724  -9.815  -0.519
   47   2HB   ALA   7          HB2       ALA   7   1.667 -10.763   0.966
   48   3HB   ALA   7          HB3       ALA   7   2.104  -9.056   1.027
   49    H    THR   8           HN       THR   8   0.206  -8.738   3.143
   50    HA   THR   8           HA       THR   8  -0.058  -6.846   4.380
   51    HB   THR   8           HB       THR   8   1.089  -5.523   1.916
   52    HG1  THR   8           HG1      THR   8   2.296  -6.752   4.179
   53   1HG2  THR   8          HG21      THR   8   0.085  -4.385   4.280
   54   2HG2  THR   8          HG22      THR   8   1.055  -3.594   3.036
   55   3HG2  THR   8          HG23      THR   8   1.843  -4.340   4.427
   56    H    ILE   9           HN       ILE   9  -2.338  -6.916   4.421
   57    HA   ILE   9           HA       ILE   9  -3.944  -5.715   2.399
   58    HB   ILE   9           HB       ILE   9  -4.793  -6.164   5.254
   59   1HG1  ILE   9          HG12      ILE   9  -4.855  -8.170   2.987
   60   2HG1  ILE   9          HG11      ILE   9  -3.706  -8.207   4.320
   61   1HG2  ILE   9          HG21      ILE   9  -6.697  -6.749   3.154
   62   2HG2  ILE   9          HG22      ILE   9  -6.105  -5.091   3.059
   63   3HG2  ILE   9          HG23      ILE   9  -6.848  -5.678   4.546
   64   1HD1  ILE   9          HD11      ILE   9  -5.460  -8.617   5.895
   65   2HD1  ILE   9          HD12      ILE   9  -5.603  -9.775   4.572
   66   3HD1  ILE   9          HD13      ILE   9  -6.689  -8.388   4.651
   67    H    CYS  10           HN       CYS  10  -4.555  -3.671   2.127
   68    HA   CYS  10           HA       CYS  10  -3.811  -1.726   4.208
   69   1HB   CYS  10          HB2       CYS  10  -3.781  -1.600   1.215
   70   2HB   CYS  10          HB1       CYS  10  -3.978  -0.115   2.142
   71    HA   PRO  11           HA       PRO  11  -8.021  -0.543   4.750
   72   1HB   PRO  11          HB2       PRO  11  -7.230   2.298   4.700
   73   2HB   PRO  11          HB1       PRO  11  -7.951   1.356   6.008
   74   1HG   PRO  11          HG2       PRO  11  -5.388   2.133   6.097
   75   2HG   PRO  11          HG1       PRO  11  -5.907   0.565   6.744
   76   1HD   PRO  11          HD2       PRO  11  -4.556   1.191   4.143
   77   2HD   PRO  11          HD1       PRO  11  -4.258  -0.148   5.273
   78    H    ASP  12           HN       ASP  12  -9.759  -0.096   3.505
   79    HA   ASP  12           HA       ASP  12  -9.484   0.321   0.754
   80   1HB   ASP  12          HB2       ASP  12 -12.077   1.086   1.271
   81   2HB   ASP  12          HB1       ASP  12 -11.538  -0.567   1.001
   82    H    GLY  13           HN       GLY  13  -8.560   2.123  -0.021
   83   1HA   GLY  13          HA2       GLY  13  -9.554   4.425  -0.647
   84   2HA   GLY  13          HA1       GLY  13  -9.399   4.718   1.078
   85    H    THR  14           HN       THR  14  -6.885   2.851   0.703
   86    HA   THR  14           HA       THR  14  -5.088   5.079   0.016
   87    HB   THR  14           HB       THR  14  -3.357   3.828   1.300
   88    HG1  THR  14           HG1      THR  14  -4.523   2.211   2.800
   89   1HG2  THR  14          HG21      THR  14  -5.216   5.515   2.246
   90   2HG2  THR  14          HG22      THR  14  -3.965   4.796   3.261
   91   3HG2  THR  14          HG23      THR  14  -5.585   4.098   3.230
   92    H    THR  15           HN       THR  15  -3.026   4.489  -1.018
   93    HA   THR  15           HA       THR  15  -3.408   2.282  -2.933
   94    HB   THR  15           HB       THR  15  -3.340   4.426  -4.059
   95    HG1  THR  15           HG1      THR  15  -2.148   3.517  -5.546
   96   1HG2  THR  15          HG21      THR  15  -1.943   6.119  -3.560
   97   2HG2  THR  15          HG22      THR  15  -0.549   5.049  -3.407
   98   3HG2  THR  15          HG23      THR  15  -1.668   5.237  -2.057
   99    H    CYS  16           HN       CYS  16  -1.723   0.873  -3.365
  100    HA   CYS  16           HA       CYS  16   0.157   0.497  -1.231
  101   1HB   CYS  16          HB2       CYS  16   0.602  -1.077  -3.665
  102   2HB   CYS  16          HB1       CYS  16   0.341  -1.613  -2.010
  103    H    SER  17           HN       SER  17   1.981   1.605  -1.072
  104    HA   SER  17           HA       SER  17   3.447   2.254  -3.544
  105   1HB   SER  17          HB2       SER  17   2.351   4.174  -2.122
  106   2HB   SER  17          HB1       SER  17   3.749   3.924  -1.076
  107    HG   SER  17           HG       SER  17   4.134   5.507  -2.693
  108    H    LEU  18           HN       LEU  18   5.612   1.858  -3.593
  109    HA   LEU  18           HA       LEU  18   6.665   0.250  -1.394
  110   1HB   LEU  18          HB2       LEU  18   7.137   0.427  -4.286
  111   2HB   LEU  18          HB1       LEU  18   8.595   0.226  -3.333
  112    HG   LEU  18           HG       LEU  18   6.206  -1.620  -3.354
  113   1HD1  LEU  18          HD11      LEU  18   7.773  -3.223  -4.326
  114   2HD1  LEU  18          HD12      LEU  18   9.032  -1.988  -4.334
  115   3HD1  LEU  18          HD13      LEU  18   7.599  -1.793  -5.343
  116   1HD2  LEU  18          HD21      LEU  18   8.528  -1.379  -1.532
  117   2HD2  LEU  18          HD22      LEU  18   8.069  -3.005  -2.041
  118   3HD2  LEU  18          HD23      LEU  18   6.896  -1.974  -1.221
  119    H    SER  19           HN       SER  19   8.083   1.014   0.014
  120    HA   SER  19           HA       SER  19   8.961   3.712  -0.067
  121   1HB   SER  19          HB2       SER  19   8.709   1.770   1.892
  122   2HB   SER  19          HB1       SER  19  10.456   1.977   1.752
  123    HG   SER  19           HG       SER  19   8.516   3.975   2.283
  124    HA   PRO  20           HA       PRO  20  12.805   3.726  -2.216
  125   1HB   PRO  20          HB2       PRO  20  14.122   4.674   0.285
  126   2HB   PRO  20          HB1       PRO  20  14.149   5.375  -1.339
  127   1HG   PRO  20          HG2       PRO  20  12.669   6.473   0.572
  128   2HG   PRO  20          HG1       PRO  20  12.059   6.359  -1.090
  129   1HD   PRO  20          HD2       PRO  20  11.362   4.712   1.304
  130   2HD   PRO  20          HD1       PRO  20  10.320   5.287  -0.014
  131    H    TYR  21           HN       TYR  21  12.434   1.925   0.667
  132    HA   TYR  21           HA       TYR  21  14.978   0.524   0.234
  133   1HB   TYR  21          HB2       TYR  21  13.418  -0.236   2.600
  134   2HB   TYR  21          HB1       TYR  21  15.118   0.196   2.463
  135    HD1  TYR  21           HD1      TYR  21  12.177   1.105   3.993
  136    HD2  TYR  21           HD2      TYR  21  15.399   2.853   1.832
  137    HE1  TYR  21           HE1      TYR  21  11.695   3.277   5.041
  138    HE2  TYR  21           HE2      TYR  21  14.925   5.028   2.871
  139    HH   TYR  21           HH       TYR  21  12.805   5.371   5.533
  140    H    GLY  22           HN       GLY  22  11.525   0.152   0.149
  141   1HA   GLY  22          HA2       GLY  22  10.730  -1.599  -1.395
  142   2HA   GLY  22          HA1       GLY  22  11.908  -2.668  -0.648
  143    H    VAL  23           HN       VAL  23   9.426  -0.446   0.623
  144    HA   VAL  23           HA       VAL  23   8.299  -2.724   2.116
  145    HB   VAL  23           HB       VAL  23   8.404   0.122   3.120
  146   1HG1  VAL  23          HG11      VAL  23   8.044  -1.534   5.269
  147   2HG1  VAL  23          HG12      VAL  23   7.099  -2.335   4.014
  148   3HG1  VAL  23          HG13      VAL  23   6.764  -0.655   4.433
  149   1HG2  VAL  23          HG21      VAL  23  10.587  -0.345   3.444
  150   2HG2  VAL  23          HG22      VAL  23  10.343  -2.087   3.315
  151   3HG2  VAL  23          HG23      VAL  23   9.977  -1.254   4.826
  152    H    TRP  24           HN       TRP  24   6.186  -3.062   1.852
  153    HA   TRP  24           HA       TRP  24   4.690  -1.313   0.107
  154   1HB   TRP  24          HB2       TRP  24   4.064  -3.955   1.423
  155   2HB   TRP  24          HB1       TRP  24   2.880  -3.069   0.467
  156    HD1  TRP  24           HD1      TRP  24   5.550  -5.594   0.126
  157    HE1  TRP  24           HE1      TRP  24   6.081  -6.018  -2.356
  158    HE3  TRP  24           HE3      TRP  24   3.101  -1.601  -1.920
  159    HZ2  TRP  24           HZ2      TRP  24   5.535  -4.818  -4.851
  160    HZ3  TRP  24           HZ3      TRP  24   3.156  -1.310  -4.363
  161    HH2  TRP  24           HH2      TRP  24   4.348  -2.886  -5.796
  162    H    TYR  25           HN       TYR  25   4.107   0.552   1.121
  163    HA   TYR  25           HA       TYR  25   2.532   0.271   3.596
  164   1HB   TYR  25          HB2       TYR  25   3.194   2.560   4.176
  165   2HB   TYR  25          HB1       TYR  25   4.605   1.528   3.969
  166    HD1  TYR  25           HD1      TYR  25   2.666   4.299   2.526
  167    HD2  TYR  25           HD2      TYR  25   6.184   1.926   2.191
  168    HE1  TYR  25           HE1      TYR  25   3.600   5.919   0.930
  169    HE2  TYR  25           HE2      TYR  25   7.124   3.540   0.593
  170    HH   TYR  25           HH       TYR  25   6.554   5.282  -0.819
  171    H    CYS  26           HN       CYS  26   0.670   1.592   3.833
  172    HA   CYS  26           HA       CYS  26  -0.645   2.121   1.296
  173   1HB   CYS  26          HB2       CYS  26  -2.066   2.640   3.847
  174   2HB   CYS  26          HB1       CYS  26  -2.622   1.823   2.390
  175    H    SER  27           HN       SER  27  -0.930   4.064   0.441
  176    HA   SER  27           HA       SER  27  -0.468   6.426   2.143
  177   1HB   SER  27          HB2       SER  27   1.136   5.745   0.103
  178   2HB   SER  27          HB1       SER  27  -0.085   6.643  -0.799
  179    HG   SER  27           HG       SER  27   0.360   8.445   0.391
  180    HA   PRO  28           HA       PRO  28  -4.774   7.127   1.027
  181   1HB   PRO  28          HB2       PRO  28  -4.439   9.597   2.579
  182   2HB   PRO  28          HB1       PRO  28  -5.550   8.251   2.843
  183   1HG   PRO  28          HG2       PRO  28  -3.451   8.698   4.465
  184   2HG   PRO  28          HG1       PRO  28  -4.026   7.061   4.097
  185   1HD   PRO  28          HD2       PRO  28  -1.679   8.545   2.972
  186   2HD   PRO  28          HD1       PRO  28  -1.810   6.838   3.448
  187    H    PHE  29           HN       PHE  29  -5.505   8.080  -0.746
  188    HA   PHE  29           HA       PHE  29  -4.097  10.466  -1.745
  189   1HB   PHE  29          HB2       PHE  29  -5.047   9.728  -4.002
  190   2HB   PHE  29          HB1       PHE  29  -3.744   8.756  -3.331
  191    HD1  PHE  29           HD1      PHE  29  -7.424   8.906  -3.741
  192    HD2  PHE  29           HD2      PHE  29  -4.027   6.467  -2.949
  193    HE1  PHE  29           HE1      PHE  29  -8.824   6.893  -3.955
  194    HE2  PHE  29           HE2      PHE  29  -5.421   4.450  -3.163
  195    HZ   PHE  29           HZ       PHE  29  -7.822   4.662  -3.667
  196    H    SER  30           HN       SER  30  -5.642  11.632  -3.436
  197    HA   SER  30           HA       SER  30  -8.358  11.816  -2.361
  198   1HB   SER  30          HB2       SER  30  -7.088  14.422  -2.953
  199   2HB   SER  30          HB1       SER  30  -8.224  13.982  -1.678
  200    HG   SER  30           HG       SER  30  -5.995  14.506  -1.024
  Start of MODEL    5
    1   1H    VAL   1          HT1       VAL   1 -11.067  -4.280  -0.243
    2   2H    VAL   1          HT2       VAL   1 -11.586  -4.241   1.366
    3   3H    VAL   1          HT3       VAL   1 -10.797  -5.611   0.766
    4    HA   VAL   1           HA       VAL   1  -9.674  -2.948   1.357
    5    HB   VAL   1           HB       VAL   1  -7.977  -4.321   2.577
    6   1HG1  VAL   1          HG11      VAL   1 -10.338  -3.405   3.437
    7   2HG1  VAL   1          HG12      VAL   1  -9.200  -4.257   4.481
    8   3HG1  VAL   1          HG13      VAL   1 -10.561  -5.123   3.768
    9   1HG2  VAL   1          HG21      VAL   1  -8.043  -6.435   1.594
   10   2HG2  VAL   1          HG22      VAL   1  -9.801  -6.532   1.696
   11   3HG2  VAL   1          HG23      VAL   1  -8.824  -6.681   3.156
   12    H    ILE   2           HN       ILE   2  -7.093  -3.312   1.183
   13    HA   ILE   2           HA       ILE   2  -6.643  -3.871  -1.661
   14    HB   ILE   2           HB       ILE   2  -4.597  -2.535   0.057
   15   1HG1  ILE   2          HG12      ILE   2  -6.713  -1.389   0.594
   16   2HG1  ILE   2          HG11      ILE   2  -5.627  -0.352  -0.322
   17   1HG2  ILE   2          HG21      ILE   2  -5.094  -2.975  -2.750
   18   2HG2  ILE   2          HG22      ILE   2  -3.623  -2.440  -1.936
   19   3HG2  ILE   2          HG23      ILE   2  -4.852  -1.263  -2.402
   20   1HD1  ILE   2          HD11      ILE   2  -8.104  -1.746  -1.286
   21   2HD1  ILE   2          HD12      ILE   2  -6.932  -1.000  -2.374
   22   3HD1  ILE   2          HD13      ILE   2  -7.790  -0.013  -1.191
   23    H    HIS   3           HN       HIS   3  -4.983  -5.192  -2.369
   24    HA   HIS   3           HA       HIS   3  -3.513  -6.704  -0.325
   25   1HB   HIS   3          HB2       HIS   3  -5.206  -7.797  -2.555
   26   2HB   HIS   3          HB1       HIS   3  -3.858  -8.727  -1.911
   27    HD1  HIS   3           HD1      HIS   3  -4.381 -10.155   0.049
   28    HD2  HIS   3           HD2      HIS   3  -7.155  -7.100  -0.436
   29    HE1  HIS   3           HE1      HIS   3  -6.152 -10.575   1.784
   30    HE2  HIS   3           HE2      HIS   3  -7.840  -8.734   1.449
   31    H    CYS   4           HN       CYS   4  -3.752  -5.548  -3.619
   32    HA   CYS   4           HA       CYS   4  -2.225  -5.206  -5.265
   33   1HB   CYS   4          HB2       CYS   4   0.061  -5.194  -3.371
   34   2HB   CYS   4          HB1       CYS   4  -0.373  -4.035  -4.623
   35    H    ASP   5           HN       ASP   5   0.313  -6.672  -3.368
   36    HA   ASP   5           HA       ASP   5   0.548  -8.779  -5.376
   37   1HB   ASP   5          HB2       ASP   5   2.425  -7.194  -4.082
   38   2HB   ASP   5          HB1       ASP   5   2.578  -8.754  -3.278
   39    H    ALA   6           HN       ALA   6  -1.560  -8.843  -3.365
   40    HA   ALA   6           HA       ALA   6  -2.605 -10.328  -2.000
   41   1HB   ALA   6          HB1       ALA   6  -2.399 -12.518  -2.541
   42   2HB   ALA   6          HB2       ALA   6  -0.636 -12.486  -2.468
   43   3HB   ALA   6          HB3       ALA   6  -1.472 -11.849  -3.884
   44    H    ALA   7           HN       ALA   7   0.004  -8.841  -1.215
   45    HA   ALA   7           HA       ALA   7   0.247 -10.156   1.400
   46   1HB   ALA   7          HB1       ALA   7   2.395 -10.631   1.111
   47   2HB   ALA   7          HB2       ALA   7   2.743  -8.942   0.740
   48   3HB   ALA   7          HB3       ALA   7   2.287 -10.053  -0.552
   49    H    THR   8           HN       THR   8   0.827  -8.748   3.130
   50    HA   THR   8           HA       THR   8   0.590  -6.849   4.355
   51    HB   THR   8           HB       THR   8   1.663  -5.533   1.854
   52    HG1  THR   8           HG1      THR   8   3.636  -5.665   3.318
   53   1HG2  THR   8          HG21      THR   8   0.681  -4.378   4.232
   54   2HG2  THR   8          HG22      THR   8   1.576  -3.584   2.935
   55   3HG2  THR   8          HG23      THR   8   2.441  -4.272   4.310
   56    H    ILE   9           HN       ILE   9  -1.674  -6.959   4.468
   57    HA   ILE   9           HA       ILE   9  -3.393  -5.856   2.496
   58    HB   ILE   9           HB       ILE   9  -4.092  -6.190   5.407
   59   1HG1  ILE   9          HG12      ILE   9  -4.480  -8.357   3.366
   60   2HG1  ILE   9          HG11      ILE   9  -2.946  -8.216   4.218
   61   1HG2  ILE   9          HG21      ILE   9  -5.534  -5.465   3.049
   62   2HG2  ILE   9          HG22      ILE   9  -6.108  -5.574   4.713
   63   3HG2  ILE   9          HG23      ILE   9  -6.159  -6.994   3.668
   64   1HD1  ILE   9          HD11      ILE   9  -5.633  -8.950   5.261
   65   2HD1  ILE   9          HD12      ILE   9  -4.457  -8.202   6.341
   66   3HD1  ILE   9          HD13      ILE   9  -4.069  -9.718   5.529
   67    H    CYS  10           HN       CYS  10  -4.523  -3.912   2.478
   68    HA   CYS  10           HA       CYS  10  -3.728  -1.865   4.418
   69   1HB   CYS  10          HB2       CYS  10  -3.293  -1.810   1.459
   70   2HB   CYS  10          HB1       CYS  10  -3.673  -0.304   2.289
   71    HA   PRO  11           HA       PRO  11  -7.970  -0.662   4.407
   72   1HB   PRO  11          HB2       PRO  11  -7.180   2.178   4.207
   73   2HB   PRO  11          HB1       PRO  11  -8.063   1.345   5.489
   74   1HG   PRO  11          HG2       PRO  11  -5.533   2.139   5.838
   75   2HG   PRO  11          HG1       PRO  11  -6.129   0.621   6.534
   76   1HD   PRO  11          HD2       PRO  11  -4.458   1.060   4.088
   77   2HD   PRO  11          HD1       PRO  11  -4.314  -0.192   5.339
   78    H    ASP  12           HN       ASP  12  -9.614  -0.165   3.006
   79    HA   ASP  12           HA       ASP  12  -9.079  -0.088   0.257
   80   1HB   ASP  12          HB2       ASP  12 -11.408  -0.004  -0.066
   81   2HB   ASP  12          HB1       ASP  12 -11.213  -0.852   1.465
   82    H    GLY  13           HN       GLY  13  -9.244   2.434   2.586
   83   1HA   GLY  13          HA2       GLY  13  -9.759   4.527   0.644
   84   2HA   GLY  13          HA1       GLY  13  -9.439   4.747   2.358
   85    H    THR  14           HN       THR  14  -7.202   2.713   0.800
   86    HA   THR  14           HA       THR  14  -5.370   4.924   0.211
   87    HB   THR  14           HB       THR  14  -3.523   3.771   1.402
   88    HG1  THR  14           HG1      THR  14  -4.958   2.301   3.107
   89   1HG2  THR  14          HG21      THR  14  -4.455   4.226   3.762
   90   2HG2  THR  14          HG22      THR  14  -5.925   4.727   2.928
   91   3HG2  THR  14          HG23      THR  14  -4.405   5.565   2.615
   92    H    THR  15           HN       THR  15  -3.279   4.020  -0.779
   93    HA   THR  15           HA       THR  15  -3.897   1.686  -2.469
   94    HB   THR  15           HB       THR  15  -4.137   3.736  -3.800
   95    HG1  THR  15           HG1      THR  15  -3.406   2.235  -5.147
   96   1HG2  THR  15          HG21      THR  15  -1.298   4.402  -3.869
   97   2HG2  THR  15          HG22      THR  15  -2.039   4.701  -2.297
   98   3HG2  THR  15          HG23      THR  15  -2.705   5.459  -3.743
   99    H    CYS  16           HN       CYS  16  -1.955   0.665  -3.424
  100    HA   CYS  16           HA       CYS  16   0.031   0.249  -1.406
  101   1HB   CYS  16          HB2       CYS  16   0.509  -0.800  -4.133
  102   2HB   CYS  16          HB1       CYS  16   0.610  -1.616  -2.577
  103    H    SER  17           HN       SER  17   1.812   1.397  -1.117
  104    HA   SER  17           HA       SER  17   3.055   2.693  -3.449
  105   1HB   SER  17          HB2       SER  17   1.999   3.933  -1.049
  106   2HB   SER  17          HB1       SER  17   3.720   4.270  -1.234
  107    HG   SER  17           HG       SER  17   2.935   5.777  -2.509
  108    H    LEU  18           HN       LEU  18   5.188   2.342  -3.675
  109    HA   LEU  18           HA       LEU  18   6.496   0.682  -1.670
  110   1HB   LEU  18          HB2       LEU  18   6.794   1.147  -4.546
  111   2HB   LEU  18          HB1       LEU  18   8.320   1.031  -3.692
  112    HG   LEU  18           HG       LEU  18   6.142  -1.057  -3.776
  113   1HD1  LEU  18          HD11      LEU  18   8.774  -1.892  -4.576
  114   2HD1  LEU  18          HD12      LEU  18   8.246  -0.505  -5.529
  115   3HD1  LEU  18          HD13      LEU  18   7.254  -1.962  -5.468
  116   1HD2  LEU  18          HD21      LEU  18   8.078  -2.381  -2.606
  117   2HD2  LEU  18          HD22      LEU  18   6.965  -1.395  -1.657
  118   3HD2  LEU  18          HD23      LEU  18   8.567  -0.776  -2.061
  119    H    SER  19           HN       SER  19   7.892   1.437  -0.244
  120    HA   SER  19           HA       SER  19   8.649   4.213  -0.253
  121   1HB   SER  19          HB2       SER  19   8.360   2.194   1.694
  122   2HB   SER  19          HB1       SER  19  10.067   2.638   1.709
  123    HG   SER  19           HG       SER  19   8.661   3.923   3.091
  124    HA   PRO  20           HA       PRO  20  12.661   4.145  -2.091
  125   1HB   PRO  20          HB2       PRO  20  13.841   5.127   0.459
  126   2HB   PRO  20          HB1       PRO  20  13.945   5.811  -1.168
  127   1HG   PRO  20          HG2       PRO  20  12.385   6.930   0.672
  128   2HG   PRO  20          HG1       PRO  20  11.861   6.821  -1.019
  129   1HD   PRO  20          HD2       PRO  20  11.029   5.175   1.335
  130   2HD   PRO  20          HD1       PRO  20  10.056   5.772  -0.026
  131    H    TYR  21           HN       TYR  21  12.040   2.408   0.780
  132    HA   TYR  21           HA       TYR  21  14.538   0.877   0.470
  133   1HB   TYR  21          HB2       TYR  21  13.140   0.314   2.937
  134   2HB   TYR  21          HB1       TYR  21  14.784   0.893   2.697
  135    HD1  TYR  21           HD1      TYR  21  15.019   3.449   2.178
  136    HD2  TYR  21           HD2      TYR  21  11.594   1.686   3.984
  137    HE1  TYR  21           HE1      TYR  21  14.377   5.641   3.086
  138    HE2  TYR  21           HE2      TYR  21  10.944   3.873   4.900
  139    HH   TYR  21           HH       TYR  21  13.048   6.632   4.740
  140    H    GLY  22           HN       GLY  22  11.977   0.574  -1.007
  141   1HA   GLY  22          HA2       GLY  22  10.654  -1.131  -1.787
  142   2HA   GLY  22          HA1       GLY  22  11.863  -2.217  -1.120
  143    H    VAL  23           HN       VAL  23   9.349  -0.031   0.165
  144    HA   VAL  23           HA       VAL  23   8.395  -2.278   1.816
  145    HB   VAL  23           HB       VAL  23   8.466   0.615   2.684
  146   1HG1  VAL  23          HG11      VAL  23   8.078  -0.677   4.947
  147   2HG1  VAL  23          HG12      VAL  23   7.382  -1.889   3.871
  148   3HG1  VAL  23          HG13      VAL  23   6.728  -0.251   3.896
  149   1HG2  VAL  23          HG21      VAL  23  10.405  -1.590   2.970
  150   2HG2  VAL  23          HG22      VAL  23  10.079  -0.648   4.425
  151   3HG2  VAL  23          HG23      VAL  23  10.660   0.155   2.966
  152    H    TRP  24           HN       TRP  24   6.375  -2.804   1.369
  153    HA   TRP  24           HA       TRP  24   4.692  -1.062  -0.198
  154   1HB   TRP  24          HB2       TRP  24   4.316  -3.840   0.923
  155   2HB   TRP  24          HB1       TRP  24   3.052  -2.993   0.039
  156    HD1  TRP  24           HD1      TRP  24   5.949  -5.232  -0.490
  157    HE1  TRP  24           HE1      TRP  24   6.476  -5.445  -3.000
  158    HE3  TRP  24           HE3      TRP  24   3.081  -1.383  -2.249
  159    HZ2  TRP  24           HZ2      TRP  24   5.767  -4.152  -5.408
  160    HZ3  TRP  24           HZ3      TRP  24   3.061  -0.938  -4.669
  161    HH2  TRP  24           HH2      TRP  24   4.376  -2.294  -6.214
  162    H    TYR  25           HN       TYR  25   3.958   0.656   0.967
  163    HA   TYR  25           HA       TYR  25   2.456   0.040   3.424
  164   1HB   TYR  25          HB2       TYR  25   2.949   2.305   4.209
  165   2HB   TYR  25          HB1       TYR  25   4.431   1.412   3.897
  166    HD1  TYR  25           HD1      TYR  25   2.355   4.240   2.898
  167    HD2  TYR  25           HD2      TYR  25   5.859   2.002   1.990
  168    HE1  TYR  25           HE1      TYR  25   3.145   6.071   1.458
  169    HE2  TYR  25           HE2      TYR  25   6.657   3.826   0.548
  170    HH   TYR  25           HH       TYR  25   4.671   6.394  -0.440
  171    H    CYS  26           HN       CYS  26   0.636   1.505   3.874
  172    HA   CYS  26           HA       CYS  26  -0.925   1.894   1.460
  173   1HB   CYS  26          HB2       CYS  26  -2.070   2.636   4.088
  174   2HB   CYS  26          HB1       CYS  26  -2.767   1.685   2.781
  175    H    SER  27           HN       SER  27  -1.327   3.786   0.516
  176    HA   SER  27           HA       SER  27  -0.806   6.258   2.021
  177   1HB   SER  27          HB2       SER  27   0.828   5.342   0.000
  178   2HB   SER  27          HB1       SER  27  -0.250   6.449  -0.851
  179    HG   SER  27           HG       SER  27   1.686   7.410   0.091
  180    HA   PRO  28           HA       PRO  28  -5.043   6.945   0.682
  181   1HB   PRO  28          HB2       PRO  28  -4.529   9.646   1.777
  182   2HB   PRO  28          HB1       PRO  28  -5.796   8.487   2.191
  183   1HG   PRO  28          HG2       PRO  28  -3.762   8.959   3.856
  184   2HG   PRO  28          HG1       PRO  28  -4.440   7.330   3.669
  185   1HD   PRO  28          HD2       PRO  28  -1.930   8.484   2.514
  186   2HD   PRO  28          HD1       PRO  28  -2.217   6.870   3.198
  187    H    PHE  29           HN       PHE  29  -5.981   7.933  -1.060
  188    HA   PHE  29           HA       PHE  29  -4.248   9.712  -2.644
  189   1HB   PHE  29          HB2       PHE  29  -5.896   8.871  -4.532
  190   2HB   PHE  29          HB1       PHE  29  -4.501   7.912  -4.053
  191    HD1  PHE  29           HD1      PHE  29  -8.079   8.363  -3.077
  192    HD2  PHE  29           HD2      PHE  29  -4.834   5.679  -3.692
  193    HE1  PHE  29           HE1      PHE  29  -9.561   6.463  -2.577
  194    HE2  PHE  29           HE2      PHE  29  -6.310   3.774  -3.194
  195    HZ   PHE  29           HZ       PHE  29  -8.676   4.165  -2.636
  196    H    SER  30           HN       SER  30  -5.316  11.355  -3.932
  197    HA   SER  30           HA       SER  30  -6.641  13.195  -4.106
  198   1HB   SER  30          HB2       SER  30  -8.498  10.916  -3.805
  199   2HB   SER  30          HB1       SER  30  -9.197  12.505  -3.498
  200    HG   SER  30           HG       SER  30  -9.403  12.300  -5.637
  Start of MODEL    6
    1   1H    VAL   1          HT1       VAL   1 -11.318   4.935  -0.185
    2   2H    VAL   1          HT2       VAL   1 -11.888   3.375   0.131
    3   3H    VAL   1          HT3       VAL   1 -12.020   4.022  -1.425
    4    HA   VAL   1           HA       VAL   1 -10.201   2.361  -1.113
    5    HB   VAL   1           HB       VAL   1  -8.455   3.878  -2.228
    6   1HG1  VAL   1          HG11      VAL   1  -9.396   3.059  -4.061
    7   2HG1  VAL   1          HG12      VAL   1 -10.666   4.280  -3.979
    8   3HG1  VAL   1          HG13      VAL   1 -10.871   2.737  -3.149
    9   1HG2  VAL   1          HG21      VAL   1  -9.304   6.036  -3.034
   10   2HG2  VAL   1          HG22      VAL   1  -9.196   5.991  -1.275
   11   3HG2  VAL   1          HG23      VAL   1 -10.762   5.817  -2.067
   12    H    ILE   2           HN       ILE   2  -7.603   2.941  -0.920
   13    HA   ILE   2           HA       ILE   2  -7.270   3.524   1.940
   14    HB   ILE   2           HB       ILE   2  -5.096   2.298   0.304
   15   1HG1  ILE   2          HG12      ILE   2  -7.105   1.024  -0.321
   16   2HG1  ILE   2          HG11      ILE   2  -6.013   0.055   0.661
   17   1HG2  ILE   2          HG21      ILE   2  -6.017   2.074   3.159
   18   2HG2  ILE   2          HG22      ILE   2  -4.539   2.819   2.552
   19   3HG2  ILE   2          HG23      ILE   2  -4.744   1.070   2.465
   20   1HD1  ILE   2          HD11      ILE   2  -8.387  -0.242   1.242
   21   2HD1  ILE   2          HD12      ILE   2  -8.461   1.459   1.703
   22   3HD1  ILE   2          HD13      ILE   2  -7.416   0.349   2.590
   23    H    HIS   3           HN       HIS   3  -5.320   4.672   2.613
   24    HA   HIS   3           HA       HIS   3  -4.174   6.432   0.567
   25   1HB   HIS   3          HB2       HIS   3  -5.785   7.231   2.930
   26   2HB   HIS   3          HB1       HIS   3  -4.355   8.198   2.582
   27    HD1  HIS   3           HD1      HIS   3  -4.290   9.271   0.107
   28    HD2  HIS   3           HD2      HIS   3  -7.963   7.815   1.396
   29    HE1  HIS   3           HE1      HIS   3  -5.998  10.303  -1.425
   30    HE2  HIS   3           HE2      HIS   3  -8.215   9.414  -0.621
   31    H    CYS   4           HN       CYS   4  -4.029   5.973   4.102
   32    HA   CYS   4           HA       CYS   4  -2.304   5.647   5.536
   33   1HB   CYS   4          HB2       CYS   4  -0.752   4.552   3.190
   34   2HB   CYS   4          HB1       CYS   4  -0.545   4.165   4.895
   35    H    ASP   5           HN       ASP   5  -0.126   6.085   2.796
   36    HA   ASP   5           HA       ASP   5   1.278   8.168   4.167
   37   1HB   ASP   5          HB2       ASP   5   2.080   6.359   2.376
   38   2HB   ASP   5          HB1       ASP   5   1.742   7.683   1.266
   39    H    ALA   6           HN       ALA   6  -1.539   8.182   2.448
   40    HA   ALA   6           HA       ALA   6  -2.834   9.784   1.488
   41   1HB   ALA   6          HB1       ALA   6  -1.619  10.929   3.698
   42   2HB   ALA   6          HB2       ALA   6  -3.016  11.556   2.822
   43   3HB   ALA   6          HB3       ALA   6  -1.394  12.119   2.415
   44    H    ALA   7           HN       ALA   7  -0.267   8.910   0.163
   45    HA   ALA   7           HA       ALA   7  -0.190  11.074  -1.823
   46   1HB   ALA   7          HB1       ALA   7   2.244  10.703  -2.103
   47   2HB   ALA   7          HB2       ALA   7   2.210   9.634  -0.700
   48   3HB   ALA   7          HB3       ALA   7   1.815  11.343  -0.517
   49    H    THR   8           HN       THR   8  -0.218   7.727  -1.055
   50    HA   THR   8           HA       THR   8  -0.314   7.082  -3.925
   51    HB   THR   8           HB       THR   8   0.965   5.340  -1.807
   52    HG1  THR   8           HG1      THR   8   1.983   7.235  -3.597
   53   1HG2  THR   8          HG21      THR   8  -0.212   4.427  -4.016
   54   2HG2  THR   8          HG22      THR   8   1.283   3.729  -3.393
   55   3HG2  THR   8          HG23      THR   8   1.337   4.890  -4.719
   56    H    ILE   9           HN       ILE   9  -2.533   6.964  -4.001
   57    HA   ILE   9           HA       ILE   9  -4.157   5.691  -2.082
   58    HB   ILE   9           HB       ILE   9  -4.863   5.956  -4.997
   59   1HG1  ILE   9          HG12      ILE   9  -5.319   8.096  -2.923
   60   2HG1  ILE   9          HG11      ILE   9  -3.876   8.077  -3.933
   61   1HG2  ILE   9          HG21      ILE   9  -6.350   4.690  -3.411
   62   2HG2  ILE   9          HG22      ILE   9  -7.112   6.044  -4.246
   63   3HG2  ILE   9          HG23      ILE   9  -6.613   6.214  -2.563
   64   1HD1  ILE   9          HD11      ILE   9  -6.264   7.790  -5.521
   65   2HD1  ILE   9          HD12      ILE   9  -4.969   8.983  -5.630
   66   3HD1  ILE   9          HD13      ILE   9  -6.318   9.243  -4.523
   67    H    CYS  10           HN       CYS  10  -4.726   3.622  -1.782
   68    HA   CYS  10           HA       CYS  10  -3.806   1.646  -3.765
   69   1HB   CYS  10          HB2       CYS  10  -3.622   1.680  -0.783
   70   2HB   CYS  10          HB1       CYS  10  -3.805   0.131  -1.599
   71    HA   PRO  11           HA       PRO  11  -7.893   0.059  -4.216
   72   1HB   PRO  11          HB2       PRO  11  -6.755  -2.652  -3.765
   73   2HB   PRO  11          HB1       PRO  11  -7.705  -2.041  -5.125
   74   1HG   PRO  11          HG2       PRO  11  -5.090  -2.442  -5.384
   75   2HG   PRO  11          HG1       PRO  11  -5.867  -1.029  -6.123
   76   1HD   PRO  11          HD2       PRO  11  -4.216  -1.197  -3.634
   77   2HD   PRO  11          HD1       PRO  11  -4.240   0.059  -4.890
   78    H    ASP  12           HN       ASP  12  -9.617  -0.443  -2.956
   79    HA   ASP  12           HA       ASP  12  -9.421  -0.366  -0.183
   80   1HB   ASP  12          HB2       ASP  12 -11.440   0.085  -1.708
   81   2HB   ASP  12          HB1       ASP  12 -11.742  -1.645  -1.599
   82    H    GLY  13           HN       GLY  13  -9.156  -3.044  -2.358
   83   1HA   GLY  13          HA2       GLY  13  -9.550  -5.001  -0.226
   84   2HA   GLY  13          HA1       GLY  13  -9.305  -5.355  -1.928
   85    H    THR  14           HN       THR  14  -7.160  -3.104  -0.427
   86    HA   THR  14           HA       THR  14  -5.148  -5.178   0.055
   87    HB   THR  14           HB       THR  14  -3.425  -3.921  -1.167
   88    HG1  THR  14           HG1      THR  14  -4.997  -1.934  -1.054
   89   1HG2  THR  14          HG21      THR  14  -4.237  -5.639  -2.493
   90   2HG2  THR  14          HG22      THR  14  -4.490  -4.231  -3.526
   91   3HG2  THR  14          HG23      THR  14  -5.841  -4.918  -2.624
   92    H    THR  15           HN       THR  15  -3.074  -4.078   0.947
   93    HA   THR  15           HA       THR  15  -3.807  -1.833   2.707
   94    HB   THR  15           HB       THR  15  -3.911  -3.863   4.055
   95    HG1  THR  15           HG1      THR  15  -2.213  -3.238   5.582
   96   1HG2  THR  15          HG21      THR  15  -2.575  -5.582   3.576
   97   2HG2  THR  15          HG22      THR  15  -1.229  -4.668   4.254
   98   3HG2  THR  15          HG23      THR  15  -1.578  -4.573   2.528
   99    H    CYS  16           HN       CYS  16  -2.004  -0.556   3.460
  100    HA   CYS  16           HA       CYS  16  -0.022  -0.191   1.434
  101   1HB   CYS  16          HB2       CYS  16   0.865   1.397   3.429
  102   2HB   CYS  16          HB1       CYS  16  -0.415   1.858   2.314
  103    H    SER  17           HN       SER  17   1.829  -1.221   1.247
  104    HA   SER  17           HA       SER  17   3.196  -2.160   3.676
  105   1HB   SER  17          HB2       SER  17   1.942  -3.985   2.312
  106   2HB   SER  17          HB1       SER  17   3.250  -3.784   1.145
  107    HG   SER  17           HG       SER  17   4.650  -4.621   2.537
  108    H    LEU  18           HN       LEU  18   5.358  -1.795   3.722
  109    HA   LEU  18           HA       LEU  18   6.487  -0.398   1.407
  110   1HB   LEU  18          HB2       LEU  18   6.889  -0.261   4.318
  111   2HB   LEU  18          HB1       LEU  18   8.357  -0.144   3.369
  112    HG   LEU  18           HG       LEU  18   5.946   1.656   3.114
  113   1HD1  LEU  18          HD11      LEU  18   7.192   3.319   4.193
  114   2HD1  LEU  18          HD12      LEU  18   8.697   2.413   4.043
  115   3HD1  LEU  18          HD13      LEU  18   7.447   1.868   5.162
  116   1HD2  LEU  18          HD21      LEU  18   6.746   1.871   1.014
  117   2HD2  LEU  18          HD22      LEU  18   8.340   1.246   1.440
  118   3HD2  LEU  18          HD23      LEU  18   7.924   2.922   1.799
  119    H    SER  19           HN       SER  19   8.112  -1.190   0.238
  120    HA   SER  19           HA       SER  19   8.923  -3.918   0.631
  121   1HB   SER  19          HB2       SER  19   9.807  -3.801  -1.517
  122   2HB   SER  19          HB1       SER  19   8.543  -2.572  -1.594
  123    HG   SER  19           HG       SER  19  11.330  -2.210  -1.284
  124    HA   PRO  20           HA       PRO  20  12.755  -3.521   2.785
  125   1HB   PRO  20          HB2       PRO  20  14.179  -4.868   0.554
  126   2HB   PRO  20          HB1       PRO  20  14.069  -5.323   2.258
  127   1HG   PRO  20          HG2       PRO  20  12.717  -6.675   0.409
  128   2HG   PRO  20          HG1       PRO  20  11.995  -6.331   1.992
  129   1HD   PRO  20          HD2       PRO  20  11.520  -4.985  -0.640
  130   2HD   PRO  20          HD1       PRO  20  10.353  -5.431   0.622
  131    H    TYR  21           HN       TYR  21  12.339  -2.111  -0.259
  132    HA   TYR  21           HA       TYR  21  14.858  -0.606   0.018
  133   1HB   TYR  21          HB2       TYR  21  13.613  -0.388  -2.603
  134   2HB   TYR  21          HB1       TYR  21  15.263  -0.829  -2.179
  135    HD1  TYR  21           HD1      TYR  21  12.257  -1.969  -3.604
  136    HD2  TYR  21           HD2      TYR  21  15.553  -3.285  -1.256
  137    HE1  TYR  21           HE1      TYR  21  11.789  -4.292  -4.259
  138    HE2  TYR  21           HE2      TYR  21  15.093  -5.611  -1.903
  139    HH   TYR  21           HH       TYR  21  13.782  -6.979  -3.057
  140    H    GLY  22           HN       GLY  22  12.064  -0.170   1.126
  141   1HA   GLY  22          HA2       GLY  22  10.780   1.661   1.638
  142   2HA   GLY  22          HA1       GLY  22  12.042   2.646   0.915
  143    H    VAL  23           HN       VAL  23   9.865   0.201  -0.487
  144    HA   VAL  23           HA       VAL  23   8.910   2.284  -2.342
  145    HB   VAL  23           HB       VAL  23   9.150  -0.677  -2.901
  146   1HG1  VAL  23          HG11      VAL  23   8.439   1.591  -4.759
  147   2HG1  VAL  23          HG12      VAL  23   7.288   0.443  -4.073
  148   3HG1  VAL  23          HG13      VAL  23   8.544  -0.120  -5.175
  149   1HG2  VAL  23          HG21      VAL  23  10.765   0.632  -4.688
  150   2HG2  VAL  23          HG22      VAL  23  11.311  -0.200  -3.231
  151   3HG2  VAL  23          HG23      VAL  23  11.024   1.540  -3.199
  152    H    TRP  24           HN       TRP  24   6.870   2.825  -1.987
  153    HA   TRP  24           HA       TRP  24   5.135   1.291  -0.335
  154   1HB   TRP  24          HB2       TRP  24   4.755   3.770  -2.002
  155   2HB   TRP  24          HB1       TRP  24   3.414   3.021  -1.141
  156    HD1  TRP  24           HD1      TRP  24   6.214   5.417  -0.662
  157    HE1  TRP  24           HE1      TRP  24   6.381   6.107   1.812
  158    HE3  TRP  24           HE3      TRP  24   3.097   1.911   1.372
  159    HZ2  TRP  24           HZ2      TRP  24   5.331   5.273   4.297
  160    HZ3  TRP  24           HZ3      TRP  24   2.734   1.926   3.806
  161    HH2  TRP  24           HH2      TRP  24   3.828   3.573   5.236
  162    H    TYR  25           HN       TYR  25   3.835  -0.316  -0.858
  163    HA   TYR  25           HA       TYR  25   2.619  -0.446  -3.493
  164   1HB   TYR  25          HB2       TYR  25   3.341  -2.697  -3.970
  165   2HB   TYR  25          HB1       TYR  25   4.766  -1.707  -3.685
  166    HD1  TYR  25           HD1      TYR  25   6.135  -2.040  -1.692
  167    HD2  TYR  25           HD2      TYR  25   2.716  -4.463  -2.430
  168    HE1  TYR  25           HE1      TYR  25   6.915  -3.647  -0.003
  169    HE2  TYR  25           HE2      TYR  25   3.486  -6.074  -0.741
  170    HH   TYR  25           HH       TYR  25   6.317  -5.432   1.256
  171    H    CYS  26           HN       CYS  26   0.712  -1.655  -3.550
  172    HA   CYS  26           HA       CYS  26  -0.466  -2.100  -0.927
  173   1HB   CYS  26          HB2       CYS  26  -2.078  -2.579  -3.364
  174   2HB   CYS  26          HB1       CYS  26  -2.490  -1.710  -1.889
  175    H    SER  27           HN       SER  27  -0.671  -4.025  -0.031
  176    HA   SER  27           HA       SER  27  -0.336  -6.413  -1.714
  177   1HB   SER  27          HB2       SER  27   1.384  -6.416  -0.094
  178   2HB   SER  27          HB1       SER  27   0.295  -5.877   1.183
  179    HG   SER  27           HG       SER  27  -0.704  -7.904   1.118
  180    HA   PRO  28           HA       PRO  28  -4.629  -7.185  -0.769
  181   1HB   PRO  28          HB2       PRO  28  -4.884  -9.540  -2.050
  182   2HB   PRO  28          HB1       PRO  28  -4.753  -8.007  -2.920
  183   1HG   PRO  28          HG2       PRO  28  -2.655 -10.074  -2.395
  184   2HG   PRO  28          HG1       PRO  28  -2.977  -9.156  -3.878
  185   1HD   PRO  28          HD2       PRO  28  -0.997  -8.521  -2.101
  186   2HD   PRO  28          HD1       PRO  28  -1.793  -7.333  -3.151
  187    H    PHE  29           HN       PHE  29  -5.420  -7.918   1.093
  188    HA   PHE  29           HA       PHE  29  -4.082 -10.164   2.417
  189   1HB   PHE  29          HB2       PHE  29  -5.576  -9.333   4.386
  190   2HB   PHE  29          HB1       PHE  29  -4.137  -8.423   3.946
  191    HD1  PHE  29           HD1      PHE  29  -4.429  -6.169   4.146
  192    HD2  PHE  29           HD2      PHE  29  -7.672  -8.530   2.725
  193    HE1  PHE  29           HE1      PHE  29  -5.791  -4.138   3.891
  194    HE2  PHE  29           HE2      PHE  29  -9.040  -6.502   2.465
  195    HZ   PHE  29           HZ       PHE  29  -8.099  -4.302   3.049
  196    H    SER  30           HN       SER  30  -6.898  -9.369   0.710
  197    HA   SER  30           HA       SER  30  -8.508 -11.473   1.923
  198   1HB   SER  30          HB2       SER  30 -10.344 -10.568   0.804
  199   2HB   SER  30          HB1       SER  30  -9.356  -9.141   1.114
  200    HG   SER  30           HG       SER  30 -10.167  -9.350  -1.078
  Start of MODEL    7
    1   1H    VAL   1          HT1       VAL   1  10.564   5.272  -0.347
    2   2H    VAL   1          HT2       VAL   1  11.246   3.769   0.023
    3   3H    VAL   1          HT3       VAL   1  11.236   5.001   1.182
    4    HA   VAL   1           HA       VAL   1   9.508   3.094   1.300
    5    HB   VAL   1           HB       VAL   1   7.803   4.751   2.189
    6   1HG1  VAL   1          HG11      VAL   1   8.984   5.054   4.154
    7   2HG1  VAL   1          HG12      VAL   1  10.508   5.345   3.316
    8   3HG1  VAL   1          HG13      VAL   1   9.847   3.713   3.403
    9   1HG2  VAL   1          HG21      VAL   1   7.982   6.948   1.825
   10   2HG2  VAL   1          HG22      VAL   1   9.125   6.527   0.550
   11   3HG2  VAL   1          HG23      VAL   1   9.714   6.948   2.159
   12    H    ILE   2           HN       ILE   2   6.878   3.744   1.082
   13    HA   ILE   2           HA       ILE   2   6.449   3.914  -1.830
   14    HB   ILE   2           HB       ILE   2   4.577   2.415  -0.037
   15   1HG1  ILE   2          HG12      ILE   2   6.849   1.508   0.386
   16   2HG1  ILE   2          HG11      ILE   2   5.792   0.348  -0.410
   17   1HG2  ILE   2          HG21      ILE   2   3.535   2.065  -1.956
   18   2HG2  ILE   2          HG22      ILE   2   4.956   1.224  -2.574
   19   3HG2  ILE   2          HG23      ILE   2   4.786   2.963  -2.815
   20   1HD1  ILE   2          HD11      ILE   2   7.851   2.023  -1.825
   21   2HD1  ILE   2          HD12      ILE   2   6.885   0.716  -2.511
   22   3HD1  ILE   2          HD13      ILE   2   8.100   0.364  -1.282
   23    H    HIS   3           HN       HIS   3   5.681   5.924  -2.144
   24    HA   HIS   3           HA       HIS   3   3.714   7.027  -0.285
   25   1HB   HIS   3          HB2       HIS   3   5.603   8.148  -2.271
   26   2HB   HIS   3          HB1       HIS   3   4.070   8.997  -2.102
   27    HD1  HIS   3           HD1      HIS   3   3.581  10.097   0.220
   28    HD2  HIS   3           HD2      HIS   3   7.375   8.446  -0.160
   29    HE1  HIS   3           HE1      HIS   3   4.910  11.018   2.146
   30    HE2  HIS   3           HE2      HIS   3   7.179   9.942   1.941
   31    H    CYS   4           HN       CYS   4   2.119   5.415  -1.029
   32    HA   CYS   4           HA       CYS   4   1.116   5.358  -3.654
   33   1HB   CYS   4          HB2       CYS   4  -0.581   4.829  -1.226
   34   2HB   CYS   4          HB1       CYS   4  -0.658   4.061  -2.809
   35    H    ASP   5           HN       ASP   5   0.274   7.009  -4.720
   36    HA   ASP   5           HA       ASP   5  -0.932   8.856  -5.256
   37   1HB   ASP   5          HB2       ASP   5  -2.638   7.245  -3.810
   38   2HB   ASP   5          HB1       ASP   5  -2.767   8.790  -2.974
   39    H    ALA   6           HN       ALA   6   1.222   8.884  -3.084
   40    HA   ALA   6           HA       ALA   6   2.253  10.396  -1.734
   41   1HB   ALA   6          HB1       ALA   6   1.766  12.822  -2.272
   42   2HB   ALA   6          HB2       ALA   6   0.609  12.225  -3.463
   43   3HB   ALA   6          HB3       ALA   6   2.319  11.820  -3.614
   44    H    ALA   7           HN       ALA   7  -0.344   9.221  -0.879
   45    HA   ALA   7           HA       ALA   7  -0.886  11.127   1.284
   46   1HB   ALA   7          HB1       ALA   7  -2.670  11.452  -0.319
   47   2HB   ALA   7          HB2       ALA   7  -3.298  10.661   1.127
   48   3HB   ALA   7          HB3       ALA   7  -3.002   9.720  -0.336
   49    H    THR   8           HN       THR   8   0.046   8.102   0.399
   50    HA   THR   8           HA       THR   8  -0.573   7.040   3.052
   51    HB   THR   8           HB       THR   8  -1.021   5.392   0.560
   52    HG1  THR   8           HG1      THR   8  -2.656   7.167   1.838
   53   1HG2  THR   8          HG21      THR   8  -0.372   4.108   2.543
   54   2HG2  THR   8          HG22      THR   8  -2.056   3.803   2.114
   55   3HG2  THR   8          HG23      THR   8  -1.670   4.869   3.465
   56    H    ILE   9           HN       ILE   9   1.411   6.762   3.859
   57    HA   ILE   9           HA       ILE   9   3.625   5.961   2.174
   58    HB   ILE   9           HB       ILE   9   3.735   6.208   5.169
   59   1HG1  ILE   9          HG12      ILE   9   4.241   8.516   3.304
   60   2HG1  ILE   9          HG11      ILE   9   2.637   8.220   3.967
   61   1HG2  ILE   9          HG21      ILE   9   6.031   7.247   4.107
   62   2HG2  ILE   9          HG22      ILE   9   5.641   5.958   2.969
   63   3HG2  ILE   9          HG23      ILE   9   5.832   5.592   4.683
   64   1HD1  ILE   9          HD11      ILE   9   4.955   8.374   5.823
   65   2HD1  ILE   9          HD12      ILE   9   3.263   8.793   6.090
   66   3HD1  ILE   9          HD13      ILE   9   4.296   9.859   5.138
   67    H    CYS  10           HN       CYS  10   4.735   4.026   2.271
   68    HA   CYS  10           HA       CYS  10   3.795   1.951   4.096
   69   1HB   CYS  10          HB2       CYS  10   3.494   1.901   1.117
   70   2HB   CYS  10          HB1       CYS  10   3.785   0.395   1.980
   71    HA   PRO  11           HA       PRO  11   8.020   0.712   4.315
   72   1HB   PRO  11          HB2       PRO  11   7.138  -2.099   3.958
   73   2HB   PRO  11          HB1       PRO  11   8.058  -1.366   5.277
   74   1HG   PRO  11          HG2       PRO  11   5.497  -2.046   5.598
   75   2HG   PRO  11          HG1       PRO  11   6.158  -0.578   6.341
   76   1HD   PRO  11          HD2       PRO  11   4.441  -0.870   3.913
   77   2HD   PRO  11          HD1       PRO  11   4.407   0.378   5.176
   78    H    ASP  12           HN       ASP  12   9.708   0.316   2.965
   79    HA   ASP  12           HA       ASP  12   9.376   0.379   0.214
   80   1HB   ASP  12          HB2       ASP  12  11.858  -0.806   0.554
   81   2HB   ASP  12          HB1       ASP  12  11.530   0.921   0.512
   82    H    GLY  13           HN       GLY  13   9.574  -2.358   2.374
   83   1HA   GLY  13          HA2       GLY  13   9.846  -4.272   0.215
   84   2HA   GLY  13          HA1       GLY  13   9.694  -4.641   1.924
   85    H    THR  14           HN       THR  14   7.373  -2.512   0.462
   86    HA   THR  14           HA       THR  14   5.468  -4.700   0.082
   87    HB   THR  14           HB       THR  14   3.713  -3.542   1.360
   88    HG1  THR  14           HG1      THR  14   4.374  -1.433   1.398
   89   1HG2  THR  14          HG21      THR  14   5.942  -3.783   3.318
   90   2HG2  THR  14          HG22      THR  14   5.516  -5.202   2.362
   91   3HG2  THR  14          HG23      THR  14   4.304  -4.432   3.386
   92    H    THR  15           HN       THR  15   3.416  -3.925  -0.930
   93    HA   THR  15           HA       THR  15   3.889  -1.564  -2.633
   94    HB   THR  15           HB       THR  15   4.184  -3.562  -3.990
   95    HG1  THR  15           HG1      THR  15   2.935  -1.661  -4.775
   96   1HG2  THR  15          HG21      THR  15   1.521  -4.582  -4.067
   97   2HG2  THR  15          HG22      THR  15   2.077  -4.583  -2.393
   98   3HG2  THR  15          HG23      THR  15   3.011  -5.420  -3.634
   99    H    CYS  16           HN       CYS  16   1.863  -0.665  -3.579
  100    HA   CYS  16           HA       CYS  16  -0.105  -0.359  -1.499
  101   1HB   CYS  16          HB2       CYS  16  -0.358   0.810  -4.254
  102   2HB   CYS  16          HB1       CYS  16  -0.929   1.461  -2.722
  103    H    SER  17           HN       SER  17  -1.815  -1.612  -1.261
  104    HA   SER  17           HA       SER  17  -3.046  -2.805  -3.657
  105   1HB   SER  17          HB2       SER  17  -3.083  -4.166  -0.972
  106   2HB   SER  17          HB1       SER  17  -3.384  -4.861  -2.565
  107    HG   SER  17           HG       SER  17  -1.169  -5.001  -1.318
  108    H    LEU  18           HN       LEU  18  -5.262  -2.753  -3.767
  109    HA   LEU  18           HA       LEU  18  -6.564  -1.027  -1.808
  110   1HB   LEU  18          HB2       LEU  18  -6.989  -1.694  -4.638
  111   2HB   LEU  18          HB1       LEU  18  -8.461  -1.525  -3.701
  112    HG   LEU  18           HG       LEU  18  -6.307   0.567  -4.021
  113   1HD1  LEU  18          HD11      LEU  18  -7.864   1.765  -5.344
  114   2HD1  LEU  18          HD12      LEU  18  -9.162   0.633  -4.963
  115   3HD1  LEU  18          HD13      LEU  18  -7.816   0.120  -5.980
  116   1HD2  LEU  18          HD21      LEU  18  -7.090   1.089  -1.938
  117   2HD2  LEU  18          HD22      LEU  18  -8.671   0.364  -2.228
  118   3HD2  LEU  18          HD23      LEU  18  -8.280   1.935  -2.928
  119    H    SER  19           HN       SER  19  -8.050  -1.672  -0.404
  120    HA   SER  19           HA       SER  19  -8.658  -4.509  -0.220
  121   1HB   SER  19          HB2       SER  19  -8.225  -2.465   1.650
  122   2HB   SER  19          HB1       SER  19  -9.942  -2.846   1.782
  123    HG   SER  19           HG       SER  19  -8.496  -4.142   3.114
  124    HA   PRO  20           HA       PRO  20 -12.795  -4.527  -1.766
  125   1HB   PRO  20          HB2       PRO  20 -13.797  -5.405   0.897
  126   2HB   PRO  20          HB1       PRO  20 -14.008  -6.154  -0.691
  127   1HG   PRO  20          HG2       PRO  20 -12.321  -7.200   1.074
  128   2HG   PRO  20          HG1       PRO  20 -11.903  -7.140  -0.649
  129   1HD   PRO  20          HD2       PRO  20 -10.959  -5.399   1.595
  130   2HD   PRO  20          HD1       PRO  20 -10.050  -6.050   0.215
  131    H    TYR  21           HN       TYR  21 -11.957  -2.608   0.901
  132    HA   TYR  21           HA       TYR  21 -14.496  -1.124   0.725
  133   1HB   TYR  21          HB2       TYR  21 -12.879  -0.453   3.043
  134   2HB   TYR  21          HB1       TYR  21 -14.559  -0.972   2.963
  135    HD1  TYR  21           HD1      TYR  21 -11.302  -1.848   4.024
  136    HD2  TYR  21           HD2      TYR  21 -14.938  -3.534   2.595
  137    HE1  TYR  21           HE1      TYR  21 -10.669  -4.019   4.989
  138    HE2  TYR  21           HE2      TYR  21 -14.315  -5.709   3.555
  139    HH   TYR  21           HH       TYR  21 -11.452  -6.637   4.307
  140    H    GLY  22           HN       GLY  22 -12.050  -0.900  -0.955
  141   1HA   GLY  22          HA2       GLY  22 -10.803   0.760  -1.931
  142   2HA   GLY  22          HA1       GLY  22 -11.974   1.878  -1.247
  143    H    VAL  23           HN       VAL  23  -9.882  -0.266   0.604
  144    HA   VAL  23           HA       VAL  23  -8.635   2.115   1.795
  145    HB   VAL  23           HB       VAL  23  -8.806  -0.694   2.899
  146   1HG1  VAL  23          HG11      VAL  23  -7.923   0.246   4.956
  147   2HG1  VAL  23          HG12      VAL  23  -7.817   1.839   4.205
  148   3HG1  VAL  23          HG13      VAL  23  -6.797   0.522   3.627
  149   1HG2  VAL  23          HG21      VAL  23 -10.126   1.286   4.483
  150   2HG2  VAL  23          HG22      VAL  23 -10.795  -0.161   3.729
  151   3HG2  VAL  23          HG23      VAL  23 -10.737   1.355   2.830
  152    H    TRP  24           HN       TRP  24  -6.576   2.536   1.387
  153    HA   TRP  24           HA       TRP  24  -4.996   0.691  -0.171
  154   1HB   TRP  24          HB2       TRP  24  -4.590   3.506   0.805
  155   2HB   TRP  24          HB1       TRP  24  -3.268   2.599   0.077
  156    HD1  TRP  24           HD1      TRP  24  -6.096   4.800  -0.815
  157    HE1  TRP  24           HE1      TRP  24  -6.452   4.825  -3.364
  158    HE3  TRP  24           HE3      TRP  24  -3.165   0.807  -2.085
  159    HZ2  TRP  24           HZ2      TRP  24  -5.603   3.348  -5.615
  160    HZ3  TRP  24           HZ3      TRP  24  -2.992   0.179  -4.458
  161    HH2  TRP  24           HH2      TRP  24  -4.186   1.424  -6.185
  162    H    TYR  25           HN       TYR  25  -3.935  -0.913   0.786
  163    HA   TYR  25           HA       TYR  25  -2.536  -0.346   3.312
  164   1HB   TYR  25          HB2       TYR  25  -2.940  -2.665   4.015
  165   2HB   TYR  25          HB1       TYR  25  -4.454  -1.807   3.755
  166    HD1  TYR  25           HD1      TYR  25  -5.837  -2.317   1.767
  167    HD2  TYR  25           HD2      TYR  25  -2.342  -4.563   2.687
  168    HE1  TYR  25           HE1      TYR  25  -6.588  -4.097   0.248
  169    HE2  TYR  25           HE2      TYR  25  -3.084  -6.349   1.169
  170    HH   TYR  25           HH       TYR  25  -5.506  -7.117   0.274
  171    H    CYS  26           HN       CYS  26  -0.565  -1.506   3.652
  172    HA   CYS  26           HA       CYS  26   0.880  -1.947   1.177
  173   1HB   CYS  26          HB2       CYS  26   2.255  -2.409   3.752
  174   2HB   CYS  26          HB1       CYS  26   2.767  -1.475   2.351
  175    H    SER  27           HN       SER  27   1.392  -3.867   0.342
  176    HA   SER  27           HA       SER  27   1.179  -6.247   2.055
  177   1HB   SER  27          HB2       SER  27  -0.842  -6.246   0.769
  178   2HB   SER  27          HB1       SER  27   0.035  -5.874  -0.714
  179    HG   SER  27           HG       SER  27  -0.535  -8.109  -0.503
  180    HA   PRO  28           HA       PRO  28   5.287  -6.875   0.404
  181   1HB   PRO  28          HB2       PRO  28   5.101  -9.534   1.637
  182   2HB   PRO  28          HB1       PRO  28   6.209  -8.208   1.998
  183   1HG   PRO  28          HG2       PRO  28   4.250  -8.920   3.696
  184   2HG   PRO  28          HG1       PRO  28   4.763  -7.233   3.508
  185   1HD   PRO  28          HD2       PRO  28   2.376  -8.628   2.349
  186   2HD   PRO  28          HD1       PRO  28   2.493  -7.007   3.069
  187    H    PHE  29           HN       PHE  29   6.242  -8.027  -1.262
  188    HA   PHE  29           HA       PHE  29   4.428  -9.776  -2.770
  189   1HB   PHE  29          HB2       PHE  29   6.421  -9.237  -4.523
  190   2HB   PHE  29          HB1       PHE  29   4.967  -8.260  -4.363
  191    HD1  PHE  29           HD1      PHE  29   5.147  -5.999  -3.933
  192    HD2  PHE  29           HD2      PHE  29   8.438  -8.550  -3.055
  193    HE1  PHE  29           HE1      PHE  29   6.526  -4.032  -3.404
  194    HE2  PHE  29           HE2      PHE  29   9.823  -6.588  -2.524
  195    HZ   PHE  29           HZ       PHE  29   8.867  -4.324  -2.698
  196    H    SER  30           HN       SER  30   7.346  -9.721  -0.999
  197    HA   SER  30           HA       SER  30   8.912 -11.288  -0.498
  198   1HB   SER  30          HB2       SER  30   7.085 -12.698   0.164
  199   2HB   SER  30          HB1       SER  30   6.724 -13.112  -1.512
  200    HG   SER  30           HG       SER  30   8.187 -14.609  -1.424
  Start of MODEL    8
    1   1H    VAL   1          HT1       VAL   1  11.704   3.936   1.321
    2   2H    VAL   1          HT2       VAL   1  11.016   4.964   0.167
    3   3H    VAL   1          HT3       VAL   1  11.302   3.340  -0.211
    4    HA   VAL   1           HA       VAL   1   9.675   2.609   1.364
    5    HB   VAL   1           HB       VAL   1   8.188   4.417   2.392
    6   1HG1  VAL   1          HG11      VAL   1  10.427   3.105   3.326
    7   2HG1  VAL   1          HG12      VAL   1   9.251   3.982   4.305
    8   3HG1  VAL   1          HG13      VAL   1  10.724   4.787   3.765
    9   1HG2  VAL   1          HG21      VAL   1   8.918   6.330   1.142
   10   2HG2  VAL   1          HG22      VAL   1  10.586   6.094   1.663
   11   3HG2  VAL   1          HG23      VAL   1   9.357   6.574   2.833
   12    H    ILE   2           HN       ILE   2   7.406   2.505   0.875
   13    HA   ILE   2           HA       ILE   2   6.857   3.366  -1.853
   14    HB   ILE   2           HB       ILE   2   4.999   1.673  -0.221
   15   1HG1  ILE   2          HG12      ILE   2   7.213   0.679   0.108
   16   2HG1  ILE   2          HG11      ILE   2   6.230  -0.337  -0.940
   17   1HG2  ILE   2          HG21      ILE   2   5.634   1.994  -3.133
   18   2HG2  ILE   2          HG22      ILE   2   4.098   2.238  -2.303
   19   3HG2  ILE   2          HG23      ILE   2   4.733   0.607  -2.521
   20   1HD1  ILE   2          HD11      ILE   2   7.532   0.056  -2.768
   21   2HD1  ILE   2          HD12      ILE   2   8.741   0.187  -1.492
   22   3HD1  ILE   2          HD13      ILE   2   8.046   1.645  -2.201
   23    H    HIS   3           HN       HIS   3   5.480   4.956  -2.373
   24    HA   HIS   3           HA       HIS   3   3.701   5.998  -0.264
   25   1HB   HIS   3          HB2       HIS   3   5.380   7.469  -2.284
   26   2HB   HIS   3          HB1       HIS   3   3.980   8.226  -1.532
   27    HD1  HIS   3           HD1      HIS   3   4.616   9.617   0.395
   28    HD2  HIS   3           HD2      HIS   3   7.146   6.349  -0.035
   29    HE1  HIS   3           HE1      HIS   3   6.300   9.822   2.252
   30    HE2  HIS   3           HE2      HIS   3   7.856   7.865   1.937
   31    H    CYS   4           HN       CYS   4   4.173   5.638  -3.757
   32    HA   CYS   4           HA       CYS   4   2.731   5.444  -5.497
   33   1HB   CYS   4          HB2       CYS   4   0.443   4.706  -3.749
   34   2HB   CYS   4          HB1       CYS   4   1.015   3.954  -5.235
   35    H    ASP   5           HN       ASP   5   0.036   6.146  -3.363
   36    HA   ASP   5           HA       ASP   5  -0.715   8.389  -5.002
   37   1HB   ASP   5          HB2       ASP   5  -2.120   6.573  -3.501
   38   2HB   ASP   5          HB1       ASP   5  -2.187   8.012  -2.488
   39    H    ALA   6           HN       ALA   6   1.533   8.145  -2.691
   40    HA   ALA   6           HA       ALA   6   2.619   9.593  -1.317
   41   1HB   ALA   6          HB1       ALA   6   2.076  12.107  -1.873
   42   2HB   ALA   6          HB2       ALA   6   1.292  11.392  -3.282
   43   3HB   ALA   6          HB3       ALA   6   3.007  11.107  -2.987
   44    H    ALA   7           HN       ALA   7  -0.298   8.734  -0.790
   45    HA   ALA   7           HA       ALA   7  -1.049  10.826   1.126
   46   1HB   ALA   7          HB1       ALA   7  -2.699   9.872  -0.575
   47   2HB   ALA   7          HB2       ALA   7  -3.230   9.963   1.104
   48   3HB   ALA   7          HB3       ALA   7  -2.707   8.421   0.427
   49    H    THR   8           HN       THR   8  -0.192   7.427   0.882
   50    HA   THR   8           HA       THR   8   0.057   7.341   3.817
   51    HB   THR   8           HB       THR   8  -1.843   5.940   3.005
   52    HG1  THR   8           HG1      THR   8  -0.610   3.883   3.929
   53   1HG2  THR   8          HG21      THR   8   0.350   4.370   1.646
   54   2HG2  THR   8          HG22      THR   8  -0.934   5.275   0.843
   55   3HG2  THR   8          HG23      THR   8  -1.329   3.853   1.809
   56    H    ILE   9           HN       ILE   9   1.685   5.818   4.609
   57    HA   ILE   9           HA       ILE   9   3.928   5.576   2.716
   58    HB   ILE   9           HB       ILE   9   4.065   5.748   5.730
   59   1HG1  ILE   9          HG12      ILE   9   4.974   7.837   3.756
   60   2HG1  ILE   9          HG11      ILE   9   3.342   7.836   4.417
   61   1HG2  ILE   9          HG21      ILE   9   6.528   6.378   4.518
   62   2HG2  ILE   9          HG22      ILE   9   5.956   4.891   3.761
   63   3HG2  ILE   9          HG23      ILE   9   6.136   4.976   5.514
   64   1HD1  ILE   9          HD11      ILE   9   4.507   9.317   5.771
   65   2HD1  ILE   9          HD12      ILE   9   5.940   8.290   5.826
   66   3HD1  ILE   9          HD13      ILE   9   4.486   7.823   6.709
   67    H    CYS  10           HN       CYS  10   5.041   3.668   2.546
   68    HA   CYS  10           HA       CYS  10   4.089   1.387   4.133
   69   1HB   CYS  10          HB2       CYS  10   4.254   1.605   1.134
   70   2HB   CYS  10          HB1       CYS  10   4.293   0.044   1.947
   71    HA   PRO  11           HA       PRO  11   8.383   0.383   4.427
   72   1HB   PRO  11          HB2       PRO  11   8.338  -2.286   4.779
   73   2HB   PRO  11          HB1       PRO  11   7.734  -1.168   6.008
   74   1HG   PRO  11          HG2       PRO  11   6.213  -2.788   4.007
   75   2HG   PRO  11          HG1       PRO  11   5.841  -2.474   5.712
   76   1HD   PRO  11          HD2       PRO  11   4.674  -1.142   3.619
   77   2HD   PRO  11          HD1       PRO  11   4.849  -0.464   5.248
   78    H    ASP  12           HN       ASP  12  10.089  -0.081   3.133
   79    HA   ASP  12           HA       ASP  12   9.775  -0.475   0.405
   80   1HB   ASP  12          HB2       ASP  12  12.163  -0.915   2.197
   81   2HB   ASP  12          HB1       ASP  12  12.243  -1.050   0.444
   82    H    GLY  13           HN       GLY  13   8.641  -2.225  -0.294
   83   1HA   GLY  13          HA2       GLY  13   9.511  -4.552  -1.050
   84   2HA   GLY  13          HA1       GLY  13   9.437  -4.884   0.674
   85    H    THR  14           HN       THR  14   6.999  -2.813   0.241
   86    HA   THR  14           HA       THR  14   5.064  -4.970  -0.293
   87    HB   THR  14           HB       THR  14   3.454  -3.449   1.000
   88    HG1  THR  14           HG1      THR  14   4.745  -1.581   1.068
   89   1HG2  THR  14          HG21      THR  14   5.454  -4.261   2.977
   90   2HG2  THR  14          HG22      THR  14   5.067  -5.513   1.797
   91   3HG2  THR  14          HG23      THR  14   3.785  -4.791   2.771
   92    H    THR  15           HN       THR  15   3.182  -4.470  -1.500
   93    HA   THR  15           HA       THR  15   3.561  -2.194  -3.321
   94    HB   THR  15           HB       THR  15   3.500  -4.381  -4.418
   95    HG1  THR  15           HG1      THR  15   2.660  -2.820  -5.714
   96   1HG2  THR  15          HG21      THR  15   1.119  -4.713  -2.725
   97   2HG2  THR  15          HG22      THR  15   2.218  -5.923  -3.387
   98   3HG2  THR  15          HG23      THR  15   0.926  -5.263  -4.390
   99    H    CYS  16           HN       CYS  16   1.754  -0.921  -3.955
  100    HA   CYS  16           HA       CYS  16  -0.059  -0.380  -1.798
  101   1HB   CYS  16          HB2       CYS  16  -0.753   0.947  -4.281
  102   2HB   CYS  16          HB1       CYS  16  -0.221   1.642  -2.754
  103    H    SER  17           HN       SER  17  -1.808  -1.584  -1.450
  104    HA   SER  17           HA       SER  17  -3.327  -2.522  -3.798
  105   1HB   SER  17          HB2       SER  17  -2.224  -4.024  -1.618
  106   2HB   SER  17          HB1       SER  17  -3.983  -4.134  -1.561
  107    HG   SER  17           HG       SER  17  -3.885  -4.740  -3.806
  108    H    LEU  18           HN       LEU  18  -5.527  -2.285  -3.791
  109    HA   LEU  18           HA       LEU  18  -6.591  -0.510  -1.722
  110   1HB   LEU  18          HB2       LEU  18  -7.141  -0.962  -4.575
  111   2HB   LEU  18          HB1       LEU  18  -8.569  -0.717  -3.588
  112    HG   LEU  18           HG       LEU  18  -6.234   1.192  -3.759
  113   1HD1  LEU  18          HD11      LEU  18  -7.309   2.347  -5.365
  114   2HD1  LEU  18          HD12      LEU  18  -8.906   1.967  -4.718
  115   3HD1  LEU  18          HD13      LEU  18  -8.049   0.783  -5.706
  116   1HD2  LEU  18          HD21      LEU  18  -8.867   1.316  -2.303
  117   2HD2  LEU  18          HD22      LEU  18  -7.859   2.730  -2.612
  118   3HD2  LEU  18          HD23      LEU  18  -7.244   1.409  -1.618
  119    H    SER  19           HN       SER  19  -7.935  -1.210  -0.223
  120    HA   SER  19           HA       SER  19  -8.764  -3.957  -0.166
  121   1HB   SER  19          HB2       SER  19  -8.911  -3.602   2.052
  122   2HB   SER  19          HB1       SER  19  -8.261  -1.993   1.739
  123    HG   SER  19           HG       SER  19 -10.196  -1.846   2.896
  124    HA   PRO  20           HA       PRO  20 -12.872  -3.902  -1.763
  125   1HB   PRO  20          HB2       PRO  20 -14.395  -4.699   0.446
  126   2HB   PRO  20          HB1       PRO  20 -13.626  -5.773  -0.727
  127   1HG   PRO  20          HG2       PRO  20 -12.705  -4.945   1.980
  128   2HG   PRO  20          HG1       PRO  20 -12.520  -6.502   1.156
  129   1HD   PRO  20          HD2       PRO  20 -10.478  -4.783   1.389
  130   2HD   PRO  20          HD1       PRO  20 -10.695  -5.775  -0.065
  131    H    TYR  21           HN       TYR  21 -12.068  -1.999   0.954
  132    HA   TYR  21           HA       TYR  21 -14.503  -0.381   0.592
  133   1HB   TYR  21          HB2       TYR  21 -12.967   0.044   3.067
  134   2HB   TYR  21          HB1       TYR  21 -14.704  -0.105   2.830
  135    HD1  TYR  21           HD1      TYR  21 -15.413  -2.622   2.096
  136    HD2  TYR  21           HD2      TYR  21 -11.973  -1.572   4.366
  137    HE1  TYR  21           HE1      TYR  21 -15.348  -4.891   3.033
  138    HE2  TYR  21           HE2      TYR  21 -11.899  -3.839   5.314
  139    HH   TYR  21           HH       TYR  21 -13.388  -5.723   5.700
  140    H    GLY  22           HN       GLY  22 -12.012  -0.222  -0.938
  141   1HA   GLY  22          HA2       GLY  22 -10.582   1.375  -1.760
  142   2HA   GLY  22          HA1       GLY  22 -11.718   2.544  -1.103
  143    H    VAL  23           HN       VAL  23  -9.560   0.184   0.459
  144    HA   VAL  23           HA       VAL  23  -8.407   2.419   1.996
  145    HB   VAL  23           HB       VAL  23  -8.444  -0.475   2.846
  146   1HG1  VAL  23          HG11      VAL  23  -7.237   0.177   4.598
  147   2HG1  VAL  23          HG12      VAL  23  -8.329   1.523   4.927
  148   3HG1  VAL  23          HG13      VAL  23  -7.008   1.721   3.776
  149   1HG2  VAL  23          HG21      VAL  23 -10.325   0.011   4.253
  150   2HG2  VAL  23          HG22      VAL  23 -10.741   0.457   2.598
  151   3HG2  VAL  23          HG23      VAL  23 -10.310   1.706   3.766
  152    H    TRP  24           HN       TRP  24  -6.409   2.925   1.424
  153    HA   TRP  24           HA       TRP  24  -4.798   1.182  -0.180
  154   1HB   TRP  24          HB2       TRP  24  -4.267   3.880   1.068
  155   2HB   TRP  24          HB1       TRP  24  -3.089   3.029   0.074
  156    HD1  TRP  24           HD1      TRP  24  -5.994   5.343  -0.169
  157    HE1  TRP  24           HE1      TRP  24  -6.606   5.739  -2.639
  158    HE3  TRP  24           HE3      TRP  24  -3.188   1.640  -2.305
  159    HZ2  TRP  24           HZ2      TRP  24  -5.983   4.626  -5.158
  160    HZ3  TRP  24           HZ3      TRP  24  -3.253   1.371  -4.749
  161    HH2  TRP  24           HH2      TRP  24  -4.623   2.834  -6.145
  162    H    TYR  25           HN       TYR  25  -3.952  -0.571   0.769
  163    HA   TYR  25           HA       TYR  25  -2.416  -0.161   3.246
  164   1HB   TYR  25          HB2       TYR  25  -2.982  -2.426   3.948
  165   2HB   TYR  25          HB1       TYR  25  -4.445  -1.485   3.688
  166    HD1  TYR  25           HD1      TYR  25  -2.462  -4.332   2.575
  167    HD2  TYR  25           HD2      TYR  25  -5.897  -1.957   1.761
  168    HE1  TYR  25           HE1      TYR  25  -3.313  -6.087   1.077
  169    HE2  TYR  25           HE2      TYR  25  -6.757  -3.705   0.262
  170    HH   TYR  25           HH       TYR  25  -5.689  -5.619  -1.140
  171    H    CYS  26           HN       CYS  26  -0.565  -1.543   3.524
  172    HA   CYS  26           HA       CYS  26   0.809  -1.984   1.007
  173   1HB   CYS  26          HB2       CYS  26   2.096  -2.575   3.633
  174   2HB   CYS  26          HB1       CYS  26   2.777  -1.832   2.189
  175    H    SER  27           HN       SER  27   0.448  -3.858   0.024
  176    HA   SER  27           HA       SER  27   0.056  -6.286   1.596
  177   1HB   SER  27          HB2       SER  27  -1.536  -6.425  -0.031
  178   2HB   SER  27          HB1       SER  27  -0.624  -5.418  -1.154
  179    HG   SER  27           HG       SER  27  -0.227  -7.260  -2.092
  180    HA   PRO  28           HA       PRO  28   4.399  -7.195   0.875
  181   1HB   PRO  28          HB2       PRO  28   4.472  -9.510   2.277
  182   2HB   PRO  28          HB1       PRO  28   4.480  -7.921   3.051
  183   1HG   PRO  28          HG2       PRO  28   2.201  -9.819   2.644
  184   2HG   PRO  28          HG1       PRO  28   2.617  -8.863   4.078
  185   1HD   PRO  28          HD2       PRO  28   0.680  -8.122   2.328
  186   2HD   PRO  28          HD1       PRO  28   1.656  -6.949   3.235
  187    H    PHE  29           HN       PHE  29   5.202  -8.081  -0.908
  188    HA   PHE  29           HA       PHE  29   3.924 -10.512  -1.973
  189   1HB   PHE  29          HB2       PHE  29   4.598  -9.723  -4.228
  190   2HB   PHE  29          HB1       PHE  29   3.466  -8.636  -3.432
  191    HD1  PHE  29           HD1      PHE  29   4.123  -6.430  -2.757
  192    HD2  PHE  29           HD2      PHE  29   6.921  -9.075  -4.569
  193    HE1  PHE  29           HE1      PHE  29   5.656  -4.544  -3.131
  194    HE2  PHE  29           HE2      PHE  29   8.463  -7.194  -4.943
  195    HZ   PHE  29           HZ       PHE  29   7.832  -4.925  -4.223
  196    H    SER  30           HN       SER  30   6.829  -8.978  -0.983
  197    HA   SER  30           HA       SER  30   8.538 -10.977  -2.234
  198   1HB   SER  30          HB2       SER  30  10.254  -9.566  -0.721
  199   2HB   SER  30          HB1       SER  30   9.728  -9.028  -2.316
  200    HG   SER  30           HG       SER  30   8.713  -8.222   0.205
  Start of MODEL    9
    1   1H    VAL   1          HT1       VAL   1  10.592   5.170   1.535
    2   2H    VAL   1          HT2       VAL   1  10.338   4.936  -0.121
    3   3H    VAL   1          HT3       VAL   1  10.976   3.685   0.821
    4    HA   VAL   1           HA       VAL   1   8.986   2.931   1.312
    5    HB   VAL   1           HB       VAL   1   7.278   4.419   2.384
    6   1HG1  VAL   1          HG11      VAL   1   9.858   4.934   3.775
    7   2HG1  VAL   1          HG12      VAL   1   9.370   3.264   3.488
    8   3HG1  VAL   1          HG13      VAL   1   8.327   4.340   4.417
    9   1HG2  VAL   1          HG21      VAL   1   7.440   6.652   2.422
   10   2HG2  VAL   1          HG22      VAL   1   8.588   6.448   1.099
   11   3HG2  VAL   1          HG23      VAL   1   9.171   6.615   2.755
   12    H    ILE   2           HN       ILE   2   6.908   2.618   0.426
   13    HA   ILE   2           HA       ILE   2   6.608   3.745  -2.220
   14    HB   ILE   2           HB       ILE   2   4.710   1.819  -0.899
   15   1HG1  ILE   2          HG12      ILE   2   6.974   0.913  -0.633
   16   2HG1  ILE   2          HG11      ILE   2   6.066  -0.018  -1.819
   17   1HG2  ILE   2          HG21      ILE   2   4.487   3.070  -3.250
   18   2HG2  ILE   2          HG22      ILE   2   3.868   1.444  -2.961
   19   3HG2  ILE   2          HG23      ILE   2   5.425   1.666  -3.758
   20   1HD1  ILE   2          HD11      ILE   2   8.557   1.388  -2.104
   21   2HD1  ILE   2          HD12      ILE   2   7.381   1.940  -3.296
   22   3HD1  ILE   2          HD13      ILE   2   7.788   0.227  -3.187
   23    H    HIS   3           HN       HIS   3   5.526   5.562  -2.565
   24    HA   HIS   3           HA       HIS   3   3.548   6.470  -0.618
   25   1HB   HIS   3          HB2       HIS   3   5.357   7.755  -2.507
   26   2HB   HIS   3          HB1       HIS   3   3.723   8.406  -2.600
   27    HD1  HIS   3           HD1      HIS   3   2.775   9.514  -0.404
   28    HD2  HIS   3           HD2      HIS   3   6.798   8.484  -0.268
   29    HE1  HIS   3           HE1      HIS   3   3.716  10.739   1.580
   30    HE2  HIS   3           HE2      HIS   3   6.166  10.153   1.604
   31    H    CYS   4           HN       CYS   4   3.823   5.941  -4.120
   32    HA   CYS   4           HA       CYS   4   2.296   5.445  -5.723
   33   1HB   CYS   4          HB2       CYS   4   1.321   4.158  -3.339
   34   2HB   CYS   4          HB1       CYS   4  -0.035   4.711  -4.316
   35    H    ASP   5           HN       ASP   5  -0.163   6.351  -3.352
   36    HA   ASP   5           HA       ASP   5  -1.151   8.375  -5.177
   37   1HB   ASP   5          HB2       ASP   5  -3.074   8.508  -3.706
   38   2HB   ASP   5          HB1       ASP   5  -2.703   6.817  -4.026
   39    H    ALA   6           HN       ALA   6   1.325   8.480  -3.216
   40    HA   ALA   6           HA       ALA   6   2.443  10.066  -2.027
   41   1HB   ALA   6          HB1       ALA   6   1.003  11.447  -4.126
   42   2HB   ALA   6          HB2       ALA   6   2.645  11.694  -3.532
   43   3HB   ALA   6          HB3       ALA   6   1.289  12.486  -2.731
   44    H    ALA   7           HN       ALA   7   0.007   8.911  -0.859
   45    HA   ALA   7           HA       ALA   7  -0.458  10.983   1.166
   46   1HB   ALA   7          HB1       ALA   7  -2.592  11.219   0.611
   47   2HB   ALA   7          HB2       ALA   7  -2.857   9.505   0.933
   48   3HB   ALA   7          HB3       ALA   7  -2.405  10.039  -0.687
   49    H    THR   8           HN       THR   8  -0.355   7.604   0.271
   50    HA   THR   8           HA       THR   8  -0.412   6.866   3.124
   51    HB   THR   8           HB       THR   8  -0.811   4.934   0.848
   52    HG1  THR   8           HG1      THR   8  -3.087   5.237   1.281
   53   1HG2  THR   8          HG21      THR   8  -1.149   4.894   3.811
   54   2HG2  THR   8          HG22      THR   8  -0.469   3.670   2.739
   55   3HG2  THR   8          HG23      THR   8  -2.216   3.898   2.820
   56    H    ILE   9           HN       ILE   9   1.496   6.398   3.975
   57    HA   ILE   9           HA       ILE   9   3.753   5.759   2.256
   58    HB   ILE   9           HB       ILE   9   3.680   6.119   5.255
   59   1HG1  ILE   9          HG12      ILE   9   5.035   8.250   4.005
   60   2HG1  ILE   9          HG11      ILE   9   3.545   8.026   3.094
   61   1HG2  ILE   9          HG21      ILE   9   6.121   6.453   5.005
   62   2HG2  ILE   9          HG22      ILE   9   5.978   5.996   3.308
   63   3HG2  ILE   9          HG23      ILE   9   5.594   4.826   4.571
   64   1HD1  ILE   9          HD11      ILE   9   2.829   7.897   5.799
   65   2HD1  ILE   9          HD12      ILE   9   2.489   9.187   4.645
   66   3HD1  ILE   9          HD13      ILE   9   3.944   9.254   5.640
   67    H    CYS  10           HN       CYS  10   4.888   3.849   2.276
   68    HA   CYS  10           HA       CYS  10   3.529   1.600   3.584
   69   1HB   CYS  10          HB2       CYS  10   5.158   1.838   1.079
   70   2HB   CYS  10          HB1       CYS  10   4.999   0.277   1.880
   71    HA   PRO  11           HA       PRO  11   6.983   0.844   6.238
   72   1HB   PRO  11          HB2       PRO  11   6.513  -2.027   6.058
   73   2HB   PRO  11          HB1       PRO  11   6.257  -0.944   7.428
   74   1HG   PRO  11          HG2       PRO  11   4.208  -2.076   6.087
   75   2HG   PRO  11          HG1       PRO  11   4.091  -0.457   6.802
   76   1HD   PRO  11          HD2       PRO  11   4.598  -1.236   3.950
   77   2HD   PRO  11          HD1       PRO  11   3.529   0.027   4.600
   78    H    ASP  12           HN       ASP  12   7.284   0.447   3.148
   79    HA   ASP  12           HA       ASP  12   9.011   0.002   1.739
   80   1HB   ASP  12          HB2       ASP  12  10.401  -0.433   4.361
   81   2HB   ASP  12          HB1       ASP  12  11.211  -0.768   2.834
   82    H    GLY  13           HN       GLY  13   9.516  -1.710   0.472
   83   1HA   GLY  13          HA2       GLY  13   9.803  -3.915  -0.174
   84   2HA   GLY  13          HA1       GLY  13   9.718  -4.384   1.518
   85    H    THR  14           HN       THR  14   7.199  -2.415   0.234
   86    HA   THR  14           HA       THR  14   5.439  -4.764  -0.011
   87    HB   THR  14           HB       THR  14   3.613  -3.438   1.012
   88    HG1  THR  14           HG1      THR  14   5.577  -1.628   1.944
   89   1HG2  THR  14          HG21      THR  14   6.060  -3.730   2.761
   90   2HG2  THR  14          HG22      THR  14   4.886  -4.997   2.400
   91   3HG2  THR  14          HG23      THR  14   4.396  -3.581   3.331
   92    H    THR  15           HN       THR  15   3.241  -4.003  -0.997
   93    HA   THR  15           HA       THR  15   3.760  -2.069  -3.156
   94    HB   THR  15           HB       THR  15   3.939  -4.307  -4.114
   95    HG1  THR  15           HG1      THR  15   2.719  -3.781  -5.809
   96   1HG2  THR  15          HG21      THR  15   2.739  -5.811  -2.864
   97   2HG2  THR  15          HG22      THR  15   1.610  -5.553  -4.194
   98   3HG2  THR  15          HG23      THR  15   1.371  -4.716  -2.661
   99    H    CYS  16           HN       CYS  16   1.911  -1.001  -4.001
  100    HA   CYS  16           HA       CYS  16  -0.040  -0.377  -2.017
  101   1HB   CYS  16          HB2       CYS  16  -0.416   0.448  -4.860
  102   2HB   CYS  16          HB1       CYS  16  -0.661   1.372  -3.381
  103    H    SER  17           HN       SER  17  -1.691  -1.650  -1.550
  104    HA   SER  17           HA       SER  17  -3.170  -2.909  -3.761
  105   1HB   SER  17          HB2       SER  17  -3.416  -4.379  -1.270
  106   2HB   SER  17          HB1       SER  17  -2.953  -4.960  -2.869
  107    HG   SER  17           HG       SER  17  -0.888  -4.720  -2.380
  108    H    LEU  18           HN       LEU  18  -5.352  -2.717  -3.700
  109    HA   LEU  18           HA       LEU  18  -6.448  -0.980  -1.634
  110   1HB   LEU  18          HB2       LEU  18  -7.151  -1.679  -4.406
  111   2HB   LEU  18          HB1       LEU  18  -8.519  -1.454  -3.333
  112    HG   LEU  18           HG       LEU  18  -6.345   0.583  -3.833
  113   1HD1  LEU  18          HD11      LEU  18  -7.556   1.401  -5.510
  114   2HD1  LEU  18          HD12      LEU  18  -9.052   1.292  -4.581
  115   3HD1  LEU  18          HD13      LEU  18  -8.462  -0.112  -5.472
  116   1HD2  LEU  18          HD21      LEU  18  -8.548   1.831  -2.724
  117   2HD2  LEU  18          HD22      LEU  18  -7.034   1.455  -1.901
  118   3HD2  LEU  18          HD23      LEU  18  -8.397   0.340  -1.794
  119    H    SER  19           HN       SER  19  -8.316  -1.464  -0.450
  120    HA   SER  19           HA       SER  19  -8.627  -4.311   0.112
  121   1HB   SER  19          HB2       SER  19  -9.185  -3.709   2.244
  122   2HB   SER  19          HB1       SER  19  -8.342  -2.226   1.799
  123    HG   SER  19           HG       SER  19 -11.095  -2.718   2.018
  124    HA   PRO  20           HA       PRO  20 -12.595  -4.953  -1.707
  125   1HB   PRO  20          HB2       PRO  20 -13.674  -5.666   0.977
  126   2HB   PRO  20          HB1       PRO  20 -13.702  -6.589  -0.530
  127   1HG   PRO  20          HG2       PRO  20 -12.032  -7.258   1.424
  128   2HG   PRO  20          HG1       PRO  20 -11.514  -7.328  -0.272
  129   1HD   PRO  20          HD2       PRO  20 -10.892  -5.282   1.820
  130   2HD   PRO  20          HD1       PRO  20  -9.844  -5.956   0.555
  131    H    TYR  21           HN       TYR  21 -12.226  -2.794   0.932
  132    HA   TYR  21           HA       TYR  21 -14.899  -1.656   0.515
  133   1HB   TYR  21          HB2       TYR  21 -13.174  -0.520   2.629
  134   2HB   TYR  21          HB1       TYR  21 -14.881  -0.946   2.675
  135    HD1  TYR  21           HD1      TYR  21 -15.109  -3.714   2.293
  136    HD2  TYR  21           HD2      TYR  21 -11.942  -1.627   4.221
  137    HE1  TYR  21           HE1      TYR  21 -14.560  -5.740   3.570
  138    HE2  TYR  21           HE2      TYR  21 -11.386  -3.647   5.507
  139    HH   TYR  21           HH       TYR  21 -12.298  -5.698   6.200
  140    H    GLY  22           HN       GLY  22 -11.556  -1.105  -0.066
  141   1HA   GLY  22          HA2       GLY  22 -11.029   0.493  -1.841
  142   2HA   GLY  22          HA1       GLY  22 -12.213   1.574  -1.122
  143    H    VAL  23           HN       VAL  23  -9.971  -0.258   0.828
  144    HA   VAL  23           HA       VAL  23  -8.770   2.253   1.710
  145    HB   VAL  23           HB       VAL  23  -8.534  -0.496   2.938
  146   1HG1  VAL  23          HG11      VAL  23  -7.112   0.352   4.439
  147   2HG1  VAL  23          HG12      VAL  23  -8.061   1.825   4.633
  148   3HG1  VAL  23          HG13      VAL  23  -6.904   1.690   3.309
  149   1HG2  VAL  23          HG21      VAL  23  -9.966   1.168   4.643
  150   2HG2  VAL  23          HG22      VAL  23 -10.608  -0.158   3.674
  151   3HG2  VAL  23          HG23      VAL  23 -10.633   1.489   3.042
  152    H    TRP  24           HN       TRP  24  -6.616   2.695   1.563
  153    HA   TRP  24           HA       TRP  24  -5.094   1.019  -0.272
  154   1HB   TRP  24          HB2       TRP  24  -4.848   3.846   0.693
  155   2HB   TRP  24          HB1       TRP  24  -3.460   3.044  -0.035
  156    HD1  TRP  24           HD1      TRP  24  -6.450   5.008  -0.938
  157    HE1  TRP  24           HE1      TRP  24  -6.831   4.957  -3.484
  158    HE3  TRP  24           HE3      TRP  24  -3.248   1.215  -2.164
  159    HZ2  TRP  24           HZ2      TRP  24  -5.897   3.500  -5.717
  160    HZ3  TRP  24           HZ3      TRP  24  -3.050   0.554  -4.525
  161    HH2  TRP  24           HH2      TRP  24  -4.348   1.674  -6.264
  162    H    TYR  25           HN       TYR  25  -4.127  -0.638   0.745
  163    HA   TYR  25           HA       TYR  25  -2.470   0.003   3.095
  164   1HB   TYR  25          HB2       TYR  25  -2.802  -2.285   3.887
  165   2HB   TYR  25          HB1       TYR  25  -4.348  -1.467   3.697
  166    HD1  TYR  25           HD1      TYR  25  -5.903  -2.140   1.933
  167    HD2  TYR  25           HD2      TYR  25  -2.191  -4.149   2.475
  168    HE1  TYR  25           HE1      TYR  25  -6.709  -3.995   0.536
  169    HE2  TYR  25           HE2      TYR  25  -2.987  -6.008   1.077
  170    HH   TYR  25           HH       TYR  25  -5.370  -6.960   0.461
  171    H    CYS  26           HN       CYS  26  -0.608  -1.606   3.349
  172    HA   CYS  26           HA       CYS  26   0.595  -1.999   0.694
  173   1HB   CYS  26          HB2       CYS  26   2.072  -1.836   3.320
  174   2HB   CYS  26          HB1       CYS  26   2.740  -1.710   1.696
  175    H    SER  27           HN       SER  27   1.400  -3.930   0.071
  176    HA   SER  27           HA       SER  27   1.236  -6.155   1.996
  177   1HB   SER  27          HB2       SER  27   0.209  -5.983  -0.821
  178   2HB   SER  27          HB1       SER  27   0.699  -7.540  -0.155
  179    HG   SER  27           HG       SER  27  -0.790  -7.162   1.561
  180    HA   PRO  28           HA       PRO  28   5.558  -6.449   0.804
  181   1HB   PRO  28          HB2       PRO  28   5.506  -8.919   2.406
  182   2HB   PRO  28          HB1       PRO  28   6.480  -7.463   2.621
  183   1HG   PRO  28          HG2       PRO  28   4.466  -8.078   4.290
  184   2HG   PRO  28          HG1       PRO  28   4.856  -6.400   3.868
  185   1HD   PRO  28          HD2       PRO  28   2.664  -8.156   2.832
  186   2HD   PRO  28          HD1       PRO  28   2.620  -6.432   3.258
  187    H    PHE  29           HN       PHE  29   6.497  -7.427  -0.897
  188    HA   PHE  29           HA       PHE  29   5.319  -9.957  -1.844
  189   1HB   PHE  29          HB2       PHE  29   6.056  -9.203  -4.144
  190   2HB   PHE  29          HB1       PHE  29   4.729  -8.290  -3.435
  191    HD1  PHE  29           HD1      PHE  29   8.309  -8.219  -4.282
  192    HD2  PHE  29           HD2      PHE  29   4.956  -5.982  -2.916
  193    HE1  PHE  29           HE1      PHE  29   9.559  -6.130  -4.645
  194    HE2  PHE  29           HE2      PHE  29   6.199  -3.891  -3.276
  195    HZ   PHE  29           HZ       PHE  29   8.503  -3.962  -4.141
  196    H    SER  30           HN       SER  30   6.837 -11.203  -3.294
  197    HA   SER  30           HA       SER  30   8.719 -12.461  -3.476
  198   1HB   SER  30          HB2       SER  30   9.440  -9.879  -4.037
  199   2HB   SER  30          HB1       SER  30  10.598 -10.311  -2.780
  200    HG   SER  30           HG       SER  30  11.428 -11.851  -4.044
  Start of MODEL   10
    1   1H    VAL   1          HT1       VAL   1  11.120   3.628   0.483
    2   2H    VAL   1          HT2       VAL   1  11.247   4.615   1.851
    3   3H    VAL   1          HT3       VAL   1  10.620   5.243   0.411
    4    HA   VAL   1           HA       VAL   1   9.316   2.939   1.672
    5    HB   VAL   1           HB       VAL   1   7.800   4.567   2.853
    6   1HG1  VAL   1          HG11      VAL   1   9.108   4.621   4.806
    7   2HG1  VAL   1          HG12      VAL   1  10.615   4.710   3.894
    8   3HG1  VAL   1          HG13      VAL   1   9.677   3.216   3.906
    9   1HG2  VAL   1          HG21      VAL   1   8.248   6.792   3.023
   10   2HG2  VAL   1          HG22      VAL   1   8.955   6.495   1.435
   11   3HG2  VAL   1          HG23      VAL   1   9.990   6.567   2.861
   12    H    ILE   2           HN       ILE   2   7.276   2.590   0.844
   13    HA   ILE   2           HA       ILE   2   6.760   3.750  -1.734
   14    HB   ILE   2           HB       ILE   2   4.885   1.931  -0.244
   15   1HG1  ILE   2          HG12      ILE   2   7.098   0.909  -0.113
   16   2HG1  ILE   2          HG11      ILE   2   6.091   0.023  -1.251
   17   1HG2  ILE   2          HG21      ILE   2   5.073   3.000  -2.925
   18   2HG2  ILE   2          HG22      ILE   2   3.732   2.176  -2.129
   19   3HG2  ILE   2          HG23      ILE   2   4.996   1.238  -2.925
   20   1HD1  ILE   2          HD11      ILE   2   8.014   2.133  -2.160
   21   2HD1  ILE   2          HD12      ILE   2   7.271   0.836  -3.097
   22   3HD1  ILE   2          HD13      ILE   2   8.510   0.461  -1.899
   23    H    HIS   3           HN       HIS   3   5.226   5.200  -2.310
   24    HA   HIS   3           HA       HIS   3   3.521   6.281  -0.162
   25   1HB   HIS   3          HB2       HIS   3   5.300   7.629  -2.097
   26   2HB   HIS   3          HB1       HIS   3   3.716   8.369  -1.886
   27    HD1  HIS   3           HD1      HIS   3   3.104   8.908   0.726
   28    HD2  HIS   3           HD2      HIS   3   7.113   8.347  -0.212
   29    HE1  HIS   3           HE1      HIS   3   4.389   9.924   2.633
   30    HE2  HIS   3           HE2      HIS   3   6.815   9.599   2.032
   31    H    CYS   4           HN       CYS   4   3.837   5.882  -3.674
   32    HA   CYS   4           HA       CYS   4   2.321   5.542  -5.327
   33   1HB   CYS   4          HB2       CYS   4   1.424   4.019  -3.117
   34   2HB   CYS   4          HB1       CYS   4  -0.001   4.756  -3.840
   35    H    ASP   5           HN       ASP   5  -0.216   6.257  -2.990
   36    HA   ASP   5           HA       ASP   5  -1.270   8.319  -4.676
   37   1HB   ASP   5          HB2       ASP   5  -2.284   6.663  -2.669
   38   2HB   ASP   5          HB1       ASP   5  -2.378   8.286  -1.994
   39    H    ALA   6           HN       ALA   6   1.288   8.347  -2.658
   40    HA   ALA   6           HA       ALA   6   2.518   9.959  -1.630
   41   1HB   ALA   6          HB1       ALA   6   2.707  11.402  -3.347
   42   2HB   ALA   6          HB2       ALA   6   1.627  12.403  -2.376
   43   3HB   ALA   6          HB3       ALA   6   0.974  11.403  -3.674
   44    H    ALA   7           HN       ALA   7  -0.103   9.014  -0.506
   45    HA   ALA   7           HA       ALA   7  -0.544  11.238   1.379
   46   1HB   ALA   7          HB1       ALA   7  -2.428  10.183  -0.287
   47   2HB   ALA   7          HB2       ALA   7  -2.770  11.017   1.228
   48   3HB   ALA   7          HB3       ALA   7  -2.690   9.256   1.190
   49    H    THR   8           HN       THR   8  -0.533   7.712   0.993
   50    HA   THR   8           HA       THR   8  -0.145   7.429   3.892
   51    HB   THR   8           HB       THR   8  -2.005   6.139   2.710
   52    HG1  THR   8           HG1      THR   8  -0.059   5.116   4.438
   53   1HG2  THR   8          HG21      THR   8  -0.631   5.486   0.739
   54   2HG2  THR   8          HG22      THR   8  -1.413   4.119   1.533
   55   3HG2  THR   8          HG23      THR   8   0.305   4.425   1.792
   56    H    ILE   9           HN       ILE   9   1.513   6.044   4.695
   57    HA   ILE   9           HA       ILE   9   3.780   5.759   2.834
   58    HB   ILE   9           HB       ILE   9   3.997   5.894   5.837
   59   1HG1  ILE   9          HG12      ILE   9   4.289   8.149   3.836
   60   2HG1  ILE   9          HG11      ILE   9   2.974   7.975   4.993
   61   1HG2  ILE   9          HG21      ILE   9   6.122   5.387   5.448
   62   2HG2  ILE   9          HG22      ILE   9   6.284   6.862   4.495
   63   3HG2  ILE   9          HG23      ILE   9   5.820   5.353   3.711
   64   1HD1  ILE   9          HD11      ILE   9   5.660   7.959   6.166
   65   2HD1  ILE   9          HD12      ILE   9   4.194   8.791   6.684
   66   3HD1  ILE   9          HD13      ILE   9   5.184   9.471   5.392
   67    H    CYS  10           HN       CYS  10   4.750   3.818   2.589
   68    HA   CYS  10           HA       CYS  10   3.965   1.616   4.362
   69   1HB   CYS  10          HB2       CYS  10   3.611   1.788   1.389
   70   2HB   CYS  10          HB1       CYS  10   3.902   0.224   2.144
   71    HA   PRO  11           HA       PRO  11   8.197   0.383   4.204
   72   1HB   PRO  11          HB2       PRO  11   8.075  -2.334   3.951
   73   2HB   PRO  11          HB1       PRO  11   7.742  -1.478   5.459
   74   1HG   PRO  11          HG2       PRO  11   5.832  -2.580   3.443
   75   2HG   PRO  11          HG1       PRO  11   5.737  -2.613   5.213
   76   1HD   PRO  11          HD2       PRO  11   4.327  -0.860   3.710
   77   2HD   PRO  11          HD1       PRO  11   4.921  -0.463   5.334
   78    H    ASP  12           HN       ASP  12   9.858  -0.011   2.779
   79    HA   ASP  12           HA       ASP  12   9.308   0.201   0.030
   80   1HB   ASP  12          HB2       ASP  12  11.402   0.949   1.245
   81   2HB   ASP  12          HB1       ASP  12  11.922  -0.734   1.209
   82    H    GLY  13           HN       GLY  13   9.098  -2.484   2.004
   83   1HA   GLY  13          HA2       GLY  13   9.757  -4.345  -0.180
   84   2HA   GLY  13          HA1       GLY  13   9.623  -4.780   1.516
   85    H    THR  14           HN       THR  14   7.250  -2.727  -0.013
   86    HA   THR  14           HA       THR  14   5.410  -4.977  -0.351
   87    HB   THR  14           HB       THR  14   3.596  -3.692   0.818
   88    HG1  THR  14           HG1      THR  14   4.369  -2.087   2.330
   89   1HG2  THR  14          HG21      THR  14   4.626  -5.576   1.928
   90   2HG2  THR  14          HG22      THR  14   4.356  -4.290   3.104
   91   3HG2  THR  14          HG23      THR  14   5.973  -4.570   2.460
   92    H    THR  15           HN       THR  15   3.230  -4.088  -1.230
   93    HA   THR  15           HA       THR  15   3.780  -1.918  -3.148
   94    HB   THR  15           HB       THR  15   3.853  -4.090  -4.304
   95    HG1  THR  15           HG1      THR  15   2.378  -1.995  -4.948
   96   1HG2  THR  15          HG21      THR  15   0.991  -4.622  -4.130
   97   2HG2  THR  15          HG22      THR  15   1.822  -4.818  -2.586
   98   3HG2  THR  15          HG23      THR  15   2.357  -5.731  -3.998
   99    H    CYS  16           HN       CYS  16   1.837  -0.848  -3.986
  100    HA   CYS  16           HA       CYS  16   0.008  -0.258  -1.868
  101   1HB   CYS  16          HB2       CYS  16  -0.706   0.696  -4.558
  102   2HB   CYS  16          HB1       CYS  16  -0.497   1.597  -3.061
  103    H    SER  17           HN       SER  17  -1.605  -1.580  -1.349
  104    HA   SER  17           HA       SER  17  -3.060  -2.923  -3.534
  105   1HB   SER  17          HB2       SER  17  -1.720  -4.245  -1.655
  106   2HB   SER  17          HB1       SER  17  -3.205  -3.969  -0.744
  107    HG   SER  17           HG       SER  17  -4.135  -5.446  -1.899
  108    H    LEU  18           HN       LEU  18  -5.226  -2.691  -3.661
  109    HA   LEU  18           HA       LEU  18  -6.466  -0.830  -1.771
  110   1HB   LEU  18          HB2       LEU  18  -6.804  -1.443  -4.616
  111   2HB   LEU  18          HB1       LEU  18  -8.318  -1.270  -3.750
  112    HG   LEU  18           HG       LEU  18  -6.123   0.798  -3.888
  113   1HD1  LEU  18          HD11      LEU  18  -7.838   0.194  -5.863
  114   2HD1  LEU  18          HD12      LEU  18  -7.246   1.826  -5.550
  115   3HD1  LEU  18          HD13      LEU  18  -8.824   1.328  -4.940
  116   1HD2  LEU  18          HD21      LEU  18  -8.441   0.486  -2.142
  117   2HD2  LEU  18          HD22      LEU  18  -8.390   2.037  -2.979
  118   3HD2  LEU  18          HD23      LEU  18  -7.029   1.530  -1.978
  119    H    SER  19           HN       SER  19  -7.852  -1.497  -0.295
  120    HA   SER  19           HA       SER  19  -8.633  -4.268  -0.166
  121   1HB   SER  19          HB2       SER  19  -8.676  -3.835   2.036
  122   2HB   SER  19          HB1       SER  19  -8.259  -2.159   1.685
  123    HG   SER  19           HG       SER  19 -10.794  -3.309   2.109
  124    HA   PRO  20           HA       PRO  20 -12.725  -4.264  -1.814
  125   1HB   PRO  20          HB2       PRO  20 -14.270  -5.001   0.404
  126   2HB   PRO  20          HB1       PRO  20 -13.497  -6.105  -0.739
  127   1HG   PRO  20          HG2       PRO  20 -12.592  -5.219   1.955
  128   2HG   PRO  20          HG1       PRO  20 -12.401  -6.793   1.164
  129   1HD   PRO  20          HD2       PRO  20 -10.360  -5.070   1.376
  130   2HD   PRO  20          HD1       PRO  20 -10.568  -6.091  -0.059
  131    H    TYR  21           HN       TYR  21 -11.956  -2.295   0.867
  132    HA   TYR  21           HA       TYR  21 -14.388  -0.690   0.436
  133   1HB   TYR  21          HB2       TYR  21 -12.870  -0.185   2.906
  134   2HB   TYR  21          HB1       TYR  21 -14.605  -0.352   2.662
  135    HD1  TYR  21           HD1      TYR  21 -11.895  -1.744   4.285
  136    HD2  TYR  21           HD2      TYR  21 -15.277  -2.904   1.982
  137    HE1  TYR  21           HE1      TYR  21 -11.818  -3.977   5.309
  138    HE2  TYR  21           HE2      TYR  21 -15.210  -5.140   2.995
  139    HH   TYR  21           HH       TYR  21 -12.751  -6.451   4.402
  140    H    GLY  22           HN       GLY  22 -11.957  -0.550  -1.127
  141   1HA   GLY  22          HA2       GLY  22 -10.502   1.006  -1.983
  142   2HA   GLY  22          HA1       GLY  22 -11.639   2.197  -1.369
  143    H    VAL  23           HN       VAL  23  -9.322  -0.079   0.111
  144    HA   VAL  23           HA       VAL  23  -8.278   2.185   1.682
  145    HB   VAL  23           HB       VAL  23  -8.254  -0.732   2.465
  146   1HG1  VAL  23          HG11      VAL  23  -7.725   0.279   4.728
  147   2HG1  VAL  23          HG12      VAL  23  -7.396   1.784   3.868
  148   3HG1  VAL  23          HG13      VAL  23  -6.440   0.344   3.521
  149   1HG2  VAL  23          HG21      VAL  23 -10.485   0.737   2.373
  150   2HG2  VAL  23          HG22      VAL  23  -9.881   1.240   3.952
  151   3HG2  VAL  23          HG23      VAL  23 -10.183  -0.467   3.626
  152    H    TRP  24           HN       TRP  24  -6.248   2.748   1.301
  153    HA   TRP  24           HA       TRP  24  -4.573   1.082  -0.379
  154   1HB   TRP  24          HB2       TRP  24  -4.210   3.857   0.766
  155   2HB   TRP  24          HB1       TRP  24  -2.987   3.046  -0.207
  156    HD1  TRP  24           HD1      TRP  24  -5.948   5.241  -0.525
  157    HE1  TRP  24           HE1      TRP  24  -6.625   5.482  -2.997
  158    HE3  TRP  24           HE3      TRP  24  -3.121   1.473  -2.512
  159    HZ2  TRP  24           HZ2      TRP  24  -6.036   4.239  -5.464
  160    HZ3  TRP  24           HZ3      TRP  24  -3.234   1.064  -4.936
  161    HH2  TRP  24           HH2      TRP  24  -4.663   2.419  -6.380
  162    H    TYR  25           HN       TYR  25  -3.950  -0.652   0.871
  163    HA   TYR  25           HA       TYR  25  -2.329  -0.007   3.243
  164   1HB   TYR  25          HB2       TYR  25  -2.829  -2.234   4.094
  165   2HB   TYR  25          HB1       TYR  25  -4.319  -1.361   3.759
  166    HD1  TYR  25           HD1      TYR  25  -5.771  -2.041   1.906
  167    HD2  TYR  25           HD2      TYR  25  -2.209  -4.186   2.815
  168    HE1  TYR  25           HE1      TYR  25  -6.557  -3.920   0.530
  169    HE2  TYR  25           HE2      TYR  25  -2.985  -6.070   1.439
  170    HH   TYR  25           HH       TYR  25  -4.607  -6.869   0.155
  171    H    CYS  26           HN       CYS  26  -0.512  -1.490   3.671
  172    HA   CYS  26           HA       CYS  26   1.013  -1.881   1.241
  173   1HB   CYS  26          HB2       CYS  26   2.164  -2.695   3.849
  174   2HB   CYS  26          HB1       CYS  26   2.872  -1.741   2.550
  175    H    SER  27           HN       SER  27   1.058  -3.726   0.168
  176    HA   SER  27           HA       SER  27   0.438  -6.215   1.610
  177   1HB   SER  27          HB2       SER  27  -1.219  -6.006  -0.025
  178   2HB   SER  27          HB1       SER  27  -0.103  -5.322  -1.207
  179    HG   SER  27           HG       SER  27   0.363  -7.922  -0.293
  180    HA   PRO  28           HA       PRO  28   4.758  -7.116   0.735
  181   1HB   PRO  28          HB2       PRO  28   4.301  -9.602   2.186
  182   2HB   PRO  28          HB1       PRO  28   5.321  -8.231   2.625
  183   1HG   PRO  28          HG2       PRO  28   3.042  -8.857   3.957
  184   2HG   PRO  28          HG1       PRO  28   3.647  -7.197   3.807
  185   1HD   PRO  28          HD2       PRO  28   1.471  -8.570   2.271
  186   2HD   PRO  28          HD1       PRO  28   1.523  -6.914   2.918
  187    H    PHE  29           HN       PHE  29   5.514  -8.028  -1.061
  188    HA   PHE  29           HA       PHE  29   3.999 -10.218  -2.284
  189   1HB   PHE  29          HB2       PHE  29   5.589  -9.591  -4.268
  190   2HB   PHE  29          HB1       PHE  29   4.202  -8.574  -3.897
  191    HD1  PHE  29           HD1      PHE  29   7.828  -8.909  -3.109
  192    HD2  PHE  29           HD2      PHE  29   4.507  -6.305  -3.658
  193    HE1  PHE  29           HE1      PHE  29   9.319  -6.965  -2.881
  194    HE2  PHE  29           HE2      PHE  29   5.992  -4.356  -3.432
  195    HZ   PHE  29           HZ       PHE  29   8.402  -4.685  -3.044
  196    H    SER  30           HN       SER  30   6.550  -9.873  -0.284
  197    HA   SER  30           HA       SER  30   7.584 -12.486  -0.934
  198   1HB   SER  30          HB2       SER  30   9.119 -10.003  -1.499
  199   2HB   SER  30          HB1       SER  30  10.001 -11.335  -0.752
  200    HG   SER  30           HG       SER  30   8.434 -12.220  -2.765