*HEADER    TRANSFERASE                             24-OCT-01   1K8M              
*TITLE     SOLUTION STRUCTURE OF THE LIPOIC ACID-BEARING DOMAIN OF THE           
*TITLE    2 E2 COMPONENT OF HUMAN, MITOCHONDRIAL BRANCHED-CHAIN ALPHA-           
*TITLE    3 KETOACID DEHYDROGENASE                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: E2 COMPONENT OF BRANCHED-CHAIN AHPHA-KETOACID              
*COMPND   3 DEHYDROGENASE;                                                       
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: LIPOIC ACID-BEARING DOMAIN;                                
*COMPND   6 SYNONYM: DIHYDROLIPOAMIDE BRANCHED CHAIN TRANSACYLASE;               
*COMPND   7 EC: 2.3.1.-;                                                         
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID                               
*KEYWDS    LIPOYL ACID BEARING, HUMAN BCKD, EXPERIMENTAL NMR DATA,               
*KEYWDS   2 AVERAGE STRUCTURE                                                    
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    C.-F.CHANG, H.-T.CHOU, J.L.CHUANG, D.T.CHUANG, T.-H.HUANG             
*REVDAT   1   14-NOV-01 1K8M    0                                                

!NOE constraints from ARIA

 ASSI {11856}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.300     1.300     1.300 peak 11856 weight  0.10000E+01 volume  0.11491E-02 ppm1      8.676 ppm2      4.548 CV     1
 ASSI { 1618}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB  ))
      3.800     1.800     1.800 peak  1618 weight  0.10000E+01 volume  0.80616E-03 ppm1      8.676 ppm2      1.899 CV     1
 ASSI { 1920}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HG1%)
      3.900     1.900     1.900 peak  1920 weight  0.10000E+01 volume  0.53677E-03 ppm1      8.671 ppm2      0.845 CV     1
 OR { 1920}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
 ASSI { 1217}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.100     0.600     0.600 peak  1217 weight  0.10000E+01 volume  0.11620E-01 ppm1      9.136 ppm2      4.431 CV     1
 ASSI { 1917}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      3.800     1.800     1.800 peak  1917 weight  0.10000E+01 volume  0.96726E-03 ppm1      9.136 ppm2      0.845 CV     1
 OR { 1917}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HG1%)
 ASSI { 1273}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.000     1.100     1.100 peak  1273 weight  0.10000E+01 volume  0.17857E-02 ppm1      9.136 ppm2      4.243 CV     1
 ASSI { 1675}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      3.100     1.200     1.200 peak  1675 weight  0.10000E+01 volume  0.28672E-02 ppm1      9.136 ppm2      1.712 CV     1
 ASSI {  819}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      4.600     2.600     1.400 peak   819 weight  0.10000E+01 volume  0.50722E-03 ppm1      9.146 ppm2      5.884 CV     1
 ASSI { 1765}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      3.700     1.700     1.700 peak  1765 weight  0.10000E+01 volume  0.57121E-03 ppm1      9.136 ppm2      1.337 CV     1
 ASSI { 5077}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.800     1.000     1.000 peak  5077 weight  0.10000E+01 volume  0.22805E-02 ppm1      9.151 ppm2      9.212 CV     1
 ASSI {  950}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak   950 weight  0.10000E+01 volume  0.16009E-02 ppm1      9.141 ppm2      4.852 CV     1
 ASSI {  235}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      3.700     1.700     1.700 peak   235 weight  0.10000E+01 volume  0.96491E-03 ppm1      9.136 ppm2      8.860 CV     1
 ASSI { 1915}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      3.700     1.700     1.700 peak  1915 weight  0.10000E+01 volume  0.11434E-02 ppm1      8.383 ppm2      0.868 CV     1
 OR { 1915}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 4    and name HG1%)
 ASSI { 1270}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.100     0.600     0.600 peak  1270 weight  0.10000E+01 volume  0.14014E-01 ppm1      8.378 ppm2      4.243 CV     1
 ASSI { 1679}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      3.600     1.600     1.600 peak  1679 weight  0.10000E+01 volume  0.17180E-02 ppm1      8.378 ppm2      1.712 CV     1
 ASSI { 2039}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HG1%)
      4.100     2.100     1.900 peak  2039 weight  0.10000E+01 volume  0.14624E-02 ppm1      8.378 ppm2      0.517 CV     1
 ASSI { 2065}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      3.800     1.800     1.800 peak  2065 weight  0.10000E+01 volume  0.10969E-02 ppm1      8.378 ppm2      0.423 CV     1
 ASSI {  915}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.000     1.000 peak   915 weight  0.10000E+01 volume  0.22650E-02 ppm1      8.378 ppm2      4.946 CV     1
 ASSI { 1744}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.400     1.400     1.400 peak  1744 weight  0.10000E+01 volume  0.19792E-02 ppm1      8.383 ppm2      1.431 CV     1
 ASSI { 1737}
   (( segid "    " and resid 6    and name HE22))
   (( segid "    " and resid 6    and name HB1 ))
      4.300     2.400     1.700 peak  1737 weight  0.10000E+01 volume  0.12171E-02 ppm1      6.755 ppm2      1.477 CV     1
 ASSI { 1577}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.600     0.800     0.800 peak  1577 weight  0.10000E+01 volume  0.38189E-02 ppm1      8.383 ppm2      2.110 CV     1
 ASSI { 1541}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 6    and name HG1 ))
      3.100     1.200     1.200 peak  1541 weight  0.10000E+01 volume  0.18293E-02 ppm1      7.752 ppm2      2.415 CV     1
 OR { 1541}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI { 1538}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
      3.300     1.300     1.300 peak  1538 weight  0.10000E+01 volume  0.16611E-02 ppm1      8.383 ppm2      2.415 CV     1
 OR { 1538}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  918}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.000     0.500     0.500 peak   918 weight  0.10000E+01 volume  0.11725E-01 ppm1      9.043 ppm2      4.946 CV     1
 ASSI { 1749}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.200     1.300     1.300 peak  1749 weight  0.10000E+01 volume  0.11180E-02 ppm1      9.038 ppm2      1.431 CV     1
 ASSI { 1578}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      4.400     2.400     1.600 peak  1578 weight  0.10000E+01 volume  0.45362E-03 ppm1      9.048 ppm2      2.110 CV     1
 ASSI {  603}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HE21))
      4.700     2.700     1.300 peak   603 weight  0.10000E+01 volume  0.37973E-03 ppm1      9.038 ppm2      7.735 CV     1
 ASSI { 1548}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      4.300     2.300     1.700 peak  1548 weight  0.10000E+01 volume  0.63579E-03 ppm1      9.043 ppm2      2.392 CV     1
 OR { 1548}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
 ASSI {  895}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.000     1.100     1.100 peak   895 weight  0.10000E+01 volume  0.16702E-02 ppm1      9.043 ppm2      5.040 CV     1
 ASSI { 1400}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      2.400     0.700     0.700 peak  1400 weight  0.10000E+01 volume  0.47359E-02 ppm1      9.043 ppm2      3.493 CV     1
 OR { 1400}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  687}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HE% )
      4.900     3.000     1.100 peak   687 weight  0.10000E+01 volume  0.69025E-03 ppm1      9.043 ppm2      7.360 CV     1
 ASSI { 1847}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 76   and name HG1%)
      3.100     1.200     1.200 peak  1847 weight  0.10000E+01 volume  0.10471E-02 ppm1      9.043 ppm2      1.056 CV     1
 ASSI { 1782}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      5.200     3.300     0.800 peak  1782 weight  0.10000E+01 volume  0.38658E-03 ppm1      9.038 ppm2      1.290 CV     1
 ASSI {  641}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.000     1.100     1.100 peak   641 weight  0.10000E+01 volume  0.14235E-02 ppm1      9.043 ppm2      7.595 CV     1
 ASSI {  821}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.500     1.500     1.500 peak   821 weight  0.10000E+01 volume  0.20278E-02 ppm1      9.043 ppm2      5.884 CV     1
 ASSI { 2038}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.700     1.700     1.700 peak  2038 weight  0.10000E+01 volume  0.66402E-03 ppm1      9.043 ppm2      0.517 CV     1
 ASSI {  897}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.100     1.200     1.200 peak   897 weight  0.10000E+01 volume  0.12937E-02 ppm1      8.652 ppm2      5.017 CV     1
 ASSI { 1286}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.700     1.700     1.700 peak  1286 weight  0.10000E+01 volume  0.42862E-03 ppm1      8.657 ppm2      4.196 CV     1
 ASSI { 1736}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.500     1.500     1.500 peak  1736 weight  0.10000E+01 volume  0.66064E-03 ppm1      8.652 ppm2      1.477 CV     1
 OR { 1736}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI { 1284}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.100     0.600     0.600 peak  1284 weight  0.10000E+01 volume  0.91286E-02 ppm1      7.366 ppm2      4.196 CV     1
 ASSI { 1837}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.300     1.400     1.400 peak  1837 weight  0.10000E+01 volume  0.30519E-02 ppm1      7.366 ppm2      1.102 CV     1
 OR { 1837}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI { 1601}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.400     0.700     0.700 peak  1601 weight  0.10000E+01 volume  0.58003E-02 ppm1      7.366 ppm2      1.970 CV     1
 OR { 1601}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI { 1947}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 9    and name HD2%)
      4.100     2.100     1.900 peak  1947 weight  0.10000E+01 volume  0.12554E-02 ppm1      7.366 ppm2      0.798 CV     1
 ASSI { 1699}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG  ))
      4.400     2.400     1.600 peak  1699 weight  0.10000E+01 volume  0.11335E-02 ppm1      7.366 ppm2      1.618 CV     1
 ASSI { 1365}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.900     1.900     1.900 peak  1365 weight  0.10000E+01 volume  0.18249E-02 ppm1      7.366 ppm2      3.727 CV     1
 ASSI { 1304}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak  1304 weight  0.10000E+01 volume  0.31496E-02 ppm1      8.466 ppm2      4.126 CV     1
 ASSI { 1935}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 9    and name HD2%)
      3.200     1.300     1.300 peak  1935 weight  0.10000E+01 volume  0.20623E-02 ppm1      8.466 ppm2      0.798 CV     1
 ASSI { 1631}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB  ))
      3.000     1.100     1.100 peak  1631 weight  0.10000E+01 volume  0.24743E-02 ppm1      8.148 ppm2      1.852 CV     1
 ASSI { 1866}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG11))
      2.800     1.000     1.000 peak  1866 weight  0.10000E+01 volume  0.33773E-02 ppm1      8.143 ppm2      1.009 CV     1
 OR { 1866}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG12))
 ASSI { 1962}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      3.600     1.600     1.600 peak  1962 weight  0.10000E+01 volume  0.16736E-02 ppm1      8.148 ppm2      0.727 CV     1
 ASSI {  525}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.500     1.500 peak   525 weight  0.10000E+01 volume  0.17232E-02 ppm1      7.997 ppm2      8.134 CV     1
 ASSI { 1355}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA1 ))
      3.200     1.300     1.300 peak  1355 weight  0.10000E+01 volume  0.15537E-02 ppm1      7.997 ppm2      3.751 CV     1
 OR { 1355}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA2 ))
 ASSI { 1320}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      2.800     1.000     1.000 peak  1320 weight  0.10000E+01 volume  0.41048E-02 ppm1      7.410 ppm2      4.056 CV     1
 OR { 1320}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
 ASSI { 1660}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB  ))
      2.800     1.000     1.000 peak  1660 weight  0.10000E+01 volume  0.83329E-02 ppm1      7.410 ppm2      1.759 CV     1
 ASSI { 1964}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 16   and name HD1%)
      3.400     1.400     1.400 peak  1964 weight  0.10000E+01 volume  0.26066E-02 ppm1      7.405 ppm2      0.727 CV     1
 ASSI { 1773}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG11))
      2.900     1.000     1.000 peak  1773 weight  0.10000E+01 volume  0.35321E-02 ppm1      7.410 ppm2      1.313 CV     1
 OR { 1773}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG12))
 ASSI {  901}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   901 weight  0.10000E+01 volume  0.34201E-02 ppm1      7.737 ppm2      4.993 CV     1
 ASSI { 1641}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.900     1.100     1.100 peak  1641 weight  0.10000E+01 volume  0.23381E-02 ppm1      7.737 ppm2      1.829 CV     1
 OR { 1641}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI { 1585}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG1 ))
      3.200     1.200     1.200 peak  1585 weight  0.10000E+01 volume  0.18412E-02 ppm1      7.737 ppm2      2.040 CV     1
 OR { 1585}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG2 ))
 ASSI { 1684}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.200     1.300     1.300 peak  1684 weight  0.10000E+01 volume  0.11300E-02 ppm1      8.334 ppm2      1.688 CV     1
 OR { 1684}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI {  999}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.000     1.100     1.100 peak   999 weight  0.10000E+01 volume  0.19725E-02 ppm1      8.329 ppm2      4.688 CV     1
 ASSI { 1638}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      3.100     1.200     1.200 peak  1638 weight  0.10000E+01 volume  0.15749E-02 ppm1      8.329 ppm2      1.829 CV     1
 ASSI { 2071}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      2.400     0.700     0.700 peak  2071 weight  0.10000E+01 volume  0.66364E-02 ppm1      8.334 ppm2      0.306 CV     1
 ASSI { 2030}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      3.900     1.900     1.900 peak  2030 weight  0.10000E+01 volume  0.14456E-02 ppm1      8.329 ppm2      0.563 CV     1
 ASSI { 1001}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.300     0.600     0.600 peak  1001 weight  0.10000E+01 volume  0.10070E-01 ppm1      8.486 ppm2      4.688 CV     1
 ASSI { 2075}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      3.500     1.500     1.500 peak  2075 weight  0.10000E+01 volume  0.22540E-02 ppm1      8.486 ppm2      0.306 CV     1
 ASSI { 2029}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      2.900     1.000     1.000 peak  2029 weight  0.10000E+01 volume  0.25332E-02 ppm1      8.490 ppm2      0.563 CV     1
 ASSI {  960}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.700     0.900     0.900 peak   960 weight  0.10000E+01 volume  0.36587E-02 ppm1      8.490 ppm2      4.806 CV     1
 ASSI { 1360}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      2.500     0.800     0.800 peak  1360 weight  0.10000E+01 volume  0.61962E-02 ppm1      8.486 ppm2      3.727 CV     1
 ASSI { 1889}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      4.100     2.100     1.900 peak  1889 weight  0.10000E+01 volume  0.11342E-02 ppm1      8.490 ppm2      0.915 CV     1
 ASSI { 1674}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      3.300     1.400     1.400 peak  1674 weight  0.10000E+01 volume  0.24545E-02 ppm1      8.486 ppm2      1.712 CV     1
 ASSI {  954}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.100     0.500     0.500 peak   954 weight  0.10000E+01 volume  0.17468E-01 ppm1      8.495 ppm2      4.829 CV     1
 ASSI { 1372}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      3.200     1.300     1.300 peak  1372 weight  0.10000E+01 volume  0.14855E-02 ppm1      8.500 ppm2      3.704 CV     1
 ASSI { 1895}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      2.400     0.700     0.700 peak  1895 weight  0.10000E+01 volume  0.45433E-02 ppm1      8.495 ppm2      0.915 CV     1
 ASSI { 1407}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.900     0.900 peak  1407 weight  0.10000E+01 volume  0.24901E-02 ppm1      8.495 ppm2      3.470 CV     1
 ASSI { 2117}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.300     1.300     1.300 peak  2117 weight  0.10000E+01 volume  0.14415E-02 ppm1      8.495 ppm2     -0.093 CV     1
 ASSI { 2084}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HG1%)
      2.300     0.700     0.700 peak  2084 weight  0.10000E+01 volume  0.84126E-02 ppm1      8.495 ppm2      0.282 CV     1
 ASSI {  212}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      4.200     2.200     1.800 peak   212 weight  0.10000E+01 volume  0.88839E-03 ppm1      8.500 ppm2      9.001 CV     1
 ASSI {  625}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      4.200     2.300     1.800 peak   625 weight  0.10000E+01 volume  0.71037E-03 ppm1      8.495 ppm2      7.642 CV     1
 ASSI { 1259}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.900     1.900     1.900 peak  1259 weight  0.10000E+01 volume  0.13666E-02 ppm1      8.500 ppm2      4.290 CV     1
 ASSI { 1401}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.200     0.600     0.600 peak  1401 weight  0.10000E+01 volume  0.67323E-02 ppm1      8.437 ppm2      3.470 CV     1
 ASSI { 2110}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.600     1.600     1.600 peak  2110 weight  0.10000E+01 volume  0.13245E-02 ppm1      8.432 ppm2     -0.069 CV     1
 ASSI { 2081}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HG1%)
      4.200     2.200     1.800 peak  2081 weight  0.10000E+01 volume  0.61442E-03 ppm1      8.437 ppm2      0.282 CV     1
 ASSI {  373}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      3.700     1.700     1.700 peak   373 weight  0.10000E+01 volume  0.14535E-02 ppm1      8.432 ppm2      8.509 CV     1
 ASSI { 1243}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.100     1.200     1.200 peak  1243 weight  0.10000E+01 volume  0.15384E-02 ppm1      8.437 ppm2      4.360 CV     1
 ASSI { 1701}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.500     1.500     1.500 peak  1701 weight  0.10000E+01 volume  0.14001E-02 ppm1      8.437 ppm2      1.595 CV     1
 ASSI { 1764}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.500     0.800     0.800 peak  1764 weight  0.10000E+01 volume  0.29252E-02 ppm1      8.437 ppm2      1.360 CV     1
 ASSI { 1279}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      4.900     3.000     1.100 peak  1279 weight  0.10000E+01 volume  0.36730E-03 ppm1      8.427 ppm2      4.220 CV     1
 ASSI { 1799}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      4.200     2.200     1.800 peak  1799 weight  0.10000E+01 volume  0.99547E-03 ppm1      8.427 ppm2      1.267 CV     1
 OR { 1799}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  276}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.200     2.200     1.800 peak   276 weight  0.10000E+01 volume  0.41493E-03 ppm1      8.432 ppm2      8.720 CV     1
 ASSI {  842}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.500     0.800     0.800 peak   842 weight  0.10000E+01 volume  0.32821E-02 ppm1      8.437 ppm2      5.274 CV     1
 ASSI { 2016}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      4.500     2.500     1.500 peak  2016 weight  0.10000E+01 volume  0.98742E-03 ppm1      8.432 ppm2      0.563 CV     1
 ASSI { 1403}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.800     1.800     1.800 peak  1403 weight  0.10000E+01 volume  0.17685E-02 ppm1      7.204 ppm2      3.470 CV     1
 ASSI { 2113}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      2.900     1.100     1.100 peak  2113 weight  0.10000E+01 volume  0.37099E-02 ppm1      7.204 ppm2     -0.093 CV     1
 ASSI { 1244}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.100     1.200     1.200 peak  1244 weight  0.10000E+01 volume  0.23257E-02 ppm1      7.200 ppm2      4.360 CV     1
 ASSI { 1763}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.100     1.200     1.200 peak  1763 weight  0.10000E+01 volume  0.38646E-02 ppm1      7.204 ppm2      1.360 CV     1
 ASSI {  449}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.200     0.600     0.600 peak   449 weight  0.10000E+01 volume  0.89949E-02 ppm1      7.204 ppm2      8.415 CV     1
 ASSI { 1287}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.600     0.900     0.900 peak  1287 weight  0.10000E+01 volume  0.41145E-02 ppm1      7.204 ppm2      4.196 CV     1
 ASSI { 1704}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.700     0.900     0.900 peak  1704 weight  0.10000E+01 volume  0.38606E-02 ppm1      7.204 ppm2      1.595 CV     1
 OR { 1704}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  938}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.500     1.600     1.600 peak   938 weight  0.10000E+01 volume  0.10993E-02 ppm1      7.200 ppm2      4.876 CV     1
 ASSI { 1666}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      2.700     0.900     0.900 peak  1666 weight  0.10000E+01 volume  0.54593E-02 ppm1      7.204 ppm2      1.735 CV     1
 ASSI {  274}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.600     0.900     0.900 peak   274 weight  0.10000E+01 volume  0.45458E-02 ppm1      7.204 ppm2      8.720 CV     1
 ASSI {  838}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      4.400     2.400     1.600 peak   838 weight  0.10000E+01 volume  0.96124E-03 ppm1      7.200 ppm2      5.274 CV     1
 ASSI { 1927}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 65   and name HD2%)
      3.400     1.400     1.400 peak  1927 weight  0.10000E+01 volume  0.12935E-02 ppm1      7.200 ppm2      0.821 CV     1
 ASSI { 2119}
   (( segid "    " and resid 24   and name HE1 ))
   (  segid "    " and resid 21   and name HG2%)
      3.100     1.200     1.200 peak  2119 weight  0.10000E+01 volume  0.17105E-02 ppm1      9.136 ppm2     -0.093 CV     1
 ASSI { 1282}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.200     0.600     0.600 peak  1282 weight  0.10000E+01 volume  0.12754E-01 ppm1      8.593 ppm2      4.196 CV     1
 ASSI { 1702}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      3.700     1.700     1.700 peak  1702 weight  0.10000E+01 volume  0.11014E-02 ppm1      8.598 ppm2      1.595 CV     1
 OR { 1702}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  933}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.000     1.200     1.200 peak   933 weight  0.10000E+01 volume  0.18442E-02 ppm1      8.593 ppm2      4.876 CV     1
 ASSI { 1375}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.800     1.800     1.800 peak  1375 weight  0.10000E+01 volume  0.18567E-02 ppm1      8.593 ppm2      3.657 CV     1
 ASSI { 1442}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.600     0.800     0.800 peak  1442 weight  0.10000E+01 volume  0.40275E-02 ppm1      8.593 ppm2      3.095 CV     1
 ASSI {  629}
   (( segid "    " and resid 24   and name HE1 ))
   (( segid "    " and resid 24   and name HZ2 ))
      2.800     1.000     1.000 peak   629 weight  0.10000E+01 volume  0.28054E-02 ppm1      9.136 ppm2      7.618 CV     1
 ASSI {  885}
   (( segid "    " and resid 24   and name HE1 ))
   (( segid "    " and resid 64   and name HA  ))
      2.600     0.900     0.900 peak   885 weight  0.10000E+01 volume  0.23379E-02 ppm1      9.136 ppm2      5.110 CV     1
 ASSI { 1384}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.200     1.300     1.300 peak  1384 weight  0.10000E+01 volume  0.17181E-02 ppm1      8.530 ppm2      3.634 CV     1
 ASSI {  586}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HE3 ))
      3.000     1.100     1.100 peak   586 weight  0.10000E+01 volume  0.21724E-02 ppm1      8.520 ppm2      7.829 CV     1
 ASSI {  768}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HZ3 ))
      3.700     1.700     1.700 peak   768 weight  0.10000E+01 volume  0.22551E-02 ppm1      8.520 ppm2      6.821 CV     1
 ASSI {  976}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.100     1.100 peak   976 weight  0.10000E+01 volume  0.23733E-02 ppm1      8.515 ppm2      4.782 CV     1
 ASSI { 1547}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.600     0.900     0.900 peak  1547 weight  0.10000E+01 volume  0.38442E-02 ppm1      8.520 ppm2      2.392 CV     1
 OR { 1547}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI {  688}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.200     0.600     0.600 peak   688 weight  0.10000E+01 volume  0.78443E-02 ppm1      8.525 ppm2      7.360 CV     1
 ASSI { 1821}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      4.500     2.500     1.500 peak  1821 weight  0.10000E+01 volume  0.78018E-03 ppm1      8.530 ppm2      1.173 CV     1
 OR { 1821}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
 ASSI { 1383}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.800     1.000     1.000 peak  1383 weight  0.10000E+01 volume  0.29591E-02 ppm1      7.376 ppm2      3.634 CV     1
 ASSI { 1443}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      4.500     2.600     1.500 peak  1443 weight  0.10000E+01 volume  0.12128E-02 ppm1      7.376 ppm2      3.095 CV     1
 ASSI {  588}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HE3 ))
      3.200     1.300     1.300 peak   588 weight  0.10000E+01 volume  0.11325E-02 ppm1      7.381 ppm2      7.829 CV     1
 ASSI {  928}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak   928 weight  0.10000E+01 volume  0.30194E-02 ppm1      7.376 ppm2      4.923 CV     1
 ASSI { 1855}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      2.600     0.800     0.800 peak  1855 weight  0.10000E+01 volume  0.67724E-02 ppm1      7.390 ppm2      1.032 CV     1
 ASSI { 1818}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      2.900     1.000     1.000 peak  1818 weight  0.10000E+01 volume  0.15280E-02 ppm1      7.376 ppm2      1.173 CV     1
 ASSI {  914}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.000     0.500     0.500 peak   914 weight  0.10000E+01 volume  0.17417E-01 ppm1      8.578 ppm2      4.946 CV     1
 ASSI { 1557}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      2.100     0.500     0.500 peak  1557 weight  0.10000E+01 volume  0.87714E-02 ppm1      8.578 ppm2      2.298 CV     1
 ASSI { 1857}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      3.700     1.700     1.700 peak  1857 weight  0.10000E+01 volume  0.23189E-02 ppm1      8.574 ppm2      1.032 CV     1
 ASSI { 1826}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      3.100     1.200     1.200 peak  1826 weight  0.10000E+01 volume  0.31046E-02 ppm1      8.578 ppm2      1.149 CV     1
 ASSI { 1232}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.500     0.800     0.800 peak  1232 weight  0.10000E+01 volume  0.37502E-02 ppm1      8.578 ppm2      4.384 CV     1
 ASSI { 1682}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.600     0.900     0.900 peak  1682 weight  0.10000E+01 volume  0.35663E-02 ppm1      8.578 ppm2      1.688 CV     1
 OR { 1682}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 1476}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.600     0.900     0.900 peak  1476 weight  0.10000E+01 volume  0.32888E-02 ppm1      8.578 ppm2      2.860 CV     1
 OR { 1476}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI { 1540}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.700     1.700     1.700 peak  1540 weight  0.10000E+01 volume  0.11197E-02 ppm1      8.574 ppm2      2.415 CV     1
 ASSI { 1229}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      1.900     0.500     0.500 peak  1229 weight  0.10000E+01 volume  0.19876E-01 ppm1      8.740 ppm2      4.407 CV     1
 ASSI { 1686}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.100     0.600     0.600 peak  1686 weight  0.10000E+01 volume  0.13791E-01 ppm1      8.740 ppm2      1.688 CV     1
 OR { 1686}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 1415}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.300     0.700     0.700 peak  1415 weight  0.10000E+01 volume  0.63543E-02 ppm1      8.740 ppm2      3.399 CV     1
 ASSI { 1658}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.400     0.700     0.700 peak  1658 weight  0.10000E+01 volume  0.11309E-01 ppm1      8.745 ppm2      1.759 CV     1
 OR { 1658}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 1602}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG1 ))
      2.300     0.600     0.600 peak  1602 weight  0.10000E+01 volume  0.67772E-02 ppm1      8.740 ppm2      1.970 CV     1
 OR { 1602}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI { 2026}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.800     1.800     1.800 peak  2026 weight  0.10000E+01 volume  0.11164E-02 ppm1      8.740 ppm2      0.563 CV     1
 ASSI { 1200}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      4.200     2.200     1.800 peak  1200 weight  0.10000E+01 volume  0.14108E-02 ppm1      8.740 ppm2      4.501 CV     1
 ASSI { 2104}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
      2.800     1.000     1.000 peak  2104 weight  0.10000E+01 volume  0.29332E-02 ppm1      8.740 ppm2      0.024 CV     1
 ASSI {  247}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.500     1.500     1.500 peak   247 weight  0.10000E+01 volume  0.37523E-02 ppm1      8.745 ppm2      8.813 CV     1
 ASSI { 1414}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.100     0.600     0.600 peak  1414 weight  0.10000E+01 volume  0.94217E-02 ppm1      9.175 ppm2      3.399 CV     1
 ASSI { 1237}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA2 ))
      2.900     1.100     1.100 peak  1237 weight  0.10000E+01 volume  0.21551E-02 ppm1      9.175 ppm2      4.384 CV     1
 OR { 1237}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA1 ))
 ASSI {  549}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.900     1.000     1.000 peak   549 weight  0.10000E+01 volume  0.19861E-02 ppm1      9.175 ppm2      7.946 CV     1
 ASSI { 1539}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.400     1.400     1.400 peak  1539 weight  0.10000E+01 volume  0.11369E-02 ppm1      9.175 ppm2      2.415 CV     1
 ASSI { 2015}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.500     1.600     1.600 peak  2015 weight  0.10000E+01 volume  0.11369E-02 ppm1      9.180 ppm2      0.563 CV     1
 ASSI { 1561}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      4.100     2.100     1.900 peak  1561 weight  0.10000E+01 volume  0.11040E-02 ppm1      7.953 ppm2      2.274 CV     1
 ASSI {  334}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.900     1.900     1.900 peak   334 weight  0.10000E+01 volume  0.14213E-02 ppm1      7.953 ppm2      8.579 CV     1
 ASSI { 1238}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA2 ))
      3.000     1.100     1.100 peak  1238 weight  0.10000E+01 volume  0.29487E-02 ppm1      7.953 ppm2      4.384 CV     1
 OR { 1238}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA1 ))
 ASSI { 1004}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.600     0.800     0.800 peak  1004 weight  0.10000E+01 volume  0.60830E-02 ppm1      7.953 ppm2      4.688 CV     1
 ASSI { 1477}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.300     0.600     0.600 peak  1477 weight  0.10000E+01 volume  0.10433E-01 ppm1      7.953 ppm2      2.860 CV     1
 OR { 1477}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 1542}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.400     0.700     0.700 peak  1542 weight  0.10000E+01 volume  0.54953E-02 ppm1      7.953 ppm2      2.415 CV     1
 ASSI { 1970}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      3.700     1.700     1.700 peak  1970 weight  0.10000E+01 volume  0.14690E-02 ppm1      7.953 ppm2      0.704 CV     1
 ASSI { 2023}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.600     1.600     1.600 peak  2023 weight  0.10000E+01 volume  0.15783E-02 ppm1      7.953 ppm2      0.563 CV     1
 ASSI { 1006}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.200     0.600     0.600 peak  1006 weight  0.10000E+01 volume  0.12207E-01 ppm1      8.486 ppm2      4.688 CV     1
 ASSI { 1495}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.000     1.100     1.100 peak  1495 weight  0.10000E+01 volume  0.38611E-02 ppm1      8.486 ppm2      2.720 CV     1
 OR { 1495}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  942}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.800     1.000     1.000 peak   942 weight  0.10000E+01 volume  0.23428E-02 ppm1      8.486 ppm2      4.852 CV     1
 ASSI { 1322}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB  ))
      2.700     0.900     0.900 peak  1322 weight  0.10000E+01 volume  0.46120E-02 ppm1      8.486 ppm2      4.056 CV     1
 ASSI { 1822}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      3.900     1.900     1.900 peak  1822 weight  0.10000E+01 volume  0.17554E-02 ppm1      8.486 ppm2      1.173 CV     1
 ASSI { 1958}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.900     1.900     1.900 peak  1958 weight  0.10000E+01 volume  0.12779E-02 ppm1      8.481 ppm2      0.751 CV     1
 ASSI {  947}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.000     0.500     0.500 peak   947 weight  0.10000E+01 volume  0.12834E-01 ppm1      9.287 ppm2      4.852 CV     1
 ASSI { 1823}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      2.800     1.000     1.000 peak  1823 weight  0.10000E+01 volume  0.22909E-02 ppm1      9.287 ppm2      1.173 CV     1
 ASSI { 1932}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.300     1.300     1.300 peak  1932 weight  0.10000E+01 volume  0.37626E-02 ppm1      9.292 ppm2      0.821 CV     1
 ASSI { 1903}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HG1%)
      2.600     0.900     0.900 peak  1903 weight  0.10000E+01 volume  0.19143E-02 ppm1      9.292 ppm2      0.915 CV     1
 ASSI {  944}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.100     0.500     0.500 peak   944 weight  0.10000E+01 volume  0.12224E-01 ppm1      8.970 ppm2      4.852 CV     1
 ASSI { 1570}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      2.500     0.800     0.800 peak  1570 weight  0.10000E+01 volume  0.40132E-02 ppm1      8.970 ppm2      2.181 CV     1
 ASSI { 1938}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.200     1.300     1.300 peak  1938 weight  0.10000E+01 volume  0.12200E-02 ppm1      8.979 ppm2      0.798 CV     1
 ASSI {  839}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     1.000     1.000 peak   839 weight  0.10000E+01 volume  0.20180E-02 ppm1      8.970 ppm2      5.274 CV     1
 ASSI { 1343}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.300     1.400     1.400 peak  1343 weight  0.10000E+01 volume  0.13767E-02 ppm1      8.970 ppm2      3.845 CV     1
 ASSI { 1388}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.900     1.000     1.000 peak  1388 weight  0.10000E+01 volume  0.27405E-02 ppm1      8.970 ppm2      3.610 CV     1
 ASSI { 1465}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.900     1.000     1.000 peak  1465 weight  0.10000E+01 volume  0.22064E-02 ppm1      8.970 ppm2      2.931 CV     1
 OR { 1465}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI {  837}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.100     0.500     0.500 peak   837 weight  0.10000E+01 volume  0.14158E-01 ppm1      8.412 ppm2      5.298 CV     1
 ASSI { 1347}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.600     0.800     0.800 peak  1347 weight  0.10000E+01 volume  0.58244E-02 ppm1      8.412 ppm2      3.845 CV     1
 ASSI { 1449}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.500     0.800     0.800 peak  1449 weight  0.10000E+01 volume  0.56298E-02 ppm1      8.412 ppm2      3.071 CV     1
 ASSI { 1752}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak  1752 weight  0.10000E+01 volume  0.70663E-02 ppm1      8.412 ppm2      1.407 CV     1
 OR { 1752}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI { 1654}
   (( segid "    " and resid 34   and name HE22))
   (( segid "    " and resid 34   and name HG2 ))
      3.200     1.300     1.300 peak  1654 weight  0.10000E+01 volume  0.11295E-02 ppm1      7.165 ppm2      1.782 CV     1
 OR { 1654}
   (( segid "    " and resid 34   and name HE22))
   (( segid "    " and resid 34   and name HG1 ))
 ASSI {  875}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.300     1.400     1.400 peak   875 weight  0.10000E+01 volume  0.32053E-02 ppm1      8.412 ppm2      5.134 CV     1
 ASSI { 1326}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.500     0.800     0.800 peak  1326 weight  0.10000E+01 volume  0.77981E-02 ppm1      8.647 ppm2      4.032 CV     1
 ASSI { 1458}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.300     1.300     1.300 peak  1458 weight  0.10000E+01 volume  0.12087E-02 ppm1      8.647 ppm2      2.977 CV     1
 OR { 1458}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI {  268}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.200     2.200     1.800 peak   268 weight  0.10000E+01 volume  0.12665E-02 ppm1      8.642 ppm2      8.720 CV     1
 ASSI { 1446}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.100     1.200     1.200 peak  1446 weight  0.10000E+01 volume  0.23593E-02 ppm1      8.148 ppm2      3.071 CV     1
 ASSI { 1323}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.400     1.400     1.400 peak  1323 weight  0.10000E+01 volume  0.15231E-02 ppm1      8.148 ppm2      4.032 CV     1
 ASSI {  312}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     0.800     0.800 peak   312 weight  0.10000E+01 volume  0.45330E-02 ppm1      8.143 ppm2      8.626 CV     1
 ASSI { 1003}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.600     0.800     0.800 peak  1003 weight  0.10000E+01 volume  0.52688E-02 ppm1      8.143 ppm2      4.688 CV     1
 ASSI { 1468}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.300     0.700     0.700 peak  1468 weight  0.10000E+01 volume  0.93365E-02 ppm1      8.143 ppm2      2.931 CV     1
 OR { 1468}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 1394}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.300     1.400     1.400 peak  1394 weight  0.10000E+01 volume  0.14187E-02 ppm1      8.143 ppm2      3.517 CV     1
 OR { 1394}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 1499}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      4.000     2.000     2.000 peak  1499 weight  0.10000E+01 volume  0.13610E-02 ppm1      8.750 ppm2      2.696 CV     1
 OR { 1499}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 1424}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.000     1.100     1.100 peak  1424 weight  0.10000E+01 volume  0.26834E-02 ppm1      8.750 ppm2      3.352 CV     1
 OR { 1424}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI { 1302}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.400     0.700     0.700 peak  1302 weight  0.10000E+01 volume  0.54143E-02 ppm1      9.410 ppm2      4.149 CV     1
 ASSI { 1614}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      2.700     0.900     0.900 peak  1614 weight  0.10000E+01 volume  0.23364E-02 ppm1      9.415 ppm2      1.923 CV     1
 ASSI {  884}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.200     1.200 peak   884 weight  0.10000E+01 volume  0.20367E-02 ppm1      9.410 ppm2      5.110 CV     1
 ASSI { 1298}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      4.100     2.100     1.900 peak  1298 weight  0.10000E+01 volume  0.16942E-02 ppm1      7.913 ppm2      4.149 CV     1
 ASSI { 1000}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.100     1.200     1.200 peak  1000 weight  0.10000E+01 volume  0.18920E-02 ppm1      7.918 ppm2      4.688 CV     1
 ASSI { 1616}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      2.000     0.500     0.500 peak  1616 weight  0.10000E+01 volume  0.82125E-02 ppm1      7.913 ppm2      1.923 CV     1
 ASSI { 1805}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.000     1.200     1.200 peak  1805 weight  0.10000E+01 volume  0.24121E-02 ppm1      7.913 ppm2      1.220 CV     1
 ASSI {   29}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.300     0.700     0.700 peak    29 weight  0.10000E+01 volume  0.10307E-01 ppm1      7.918 ppm2      9.423 CV     1
 ASSI {  932}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.500     0.800     0.800 peak   932 weight  0.10000E+01 volume  0.43453E-02 ppm1      7.918 ppm2      4.876 CV     1
 ASSI { 1473}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.200     1.300     1.300 peak  1473 weight  0.10000E+01 volume  0.12023E-02 ppm1      7.913 ppm2      2.884 CV     1
 OR { 1473}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI { 1550}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 50   and name HB  ))
      2.300     0.700     0.700 peak  1550 weight  0.10000E+01 volume  0.49295E-02 ppm1      7.918 ppm2      2.368 CV     1
 ASSI { 1719}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 50   and name HG11))
      3.700     1.700     1.700 peak  1719 weight  0.10000E+01 volume  0.15895E-02 ppm1      7.918 ppm2      1.548 CV     1
 OR { 1719}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 50   and name HG12))
 ASSI { 1863}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 50   and name HG2%)
      3.700     1.700     1.700 peak  1863 weight  0.10000E+01 volume  0.19566E-02 ppm1      7.913 ppm2      1.009 CV     1
 ASSI {   86}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.300     1.300     1.300 peak    86 weight  0.10000E+01 volume  0.25580E-02 ppm1      7.918 ppm2      9.188 CV     1
 ASSI {  881}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      4.000     2.000     2.000 peak   881 weight  0.10000E+01 volume  0.96249E-03 ppm1      7.918 ppm2      5.110 CV     1
 ASSI { 1788}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      3.700     1.700     1.700 peak  1788 weight  0.10000E+01 volume  0.11745E-02 ppm1      8.735 ppm2      1.267 CV     1
 OR { 1788}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 1519}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.800     1.000     1.000 peak  1519 weight  0.10000E+01 volume  0.56335E-02 ppm1      8.730 ppm2      2.556 CV     1
 OR { 1519}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI {  852}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.000     1.100     1.100 peak   852 weight  0.10000E+01 volume  0.16652E-02 ppm1      8.725 ppm2      5.251 CV     1
 ASSI { 1592}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.200     1.300     1.300 peak  1592 weight  0.10000E+01 volume  0.23553E-02 ppm1      8.730 ppm2      1.993 CV     1
 ASSI { 1667}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      2.600     0.900     0.900 peak  1667 weight  0.10000E+01 volume  0.36645E-02 ppm1      8.725 ppm2      1.735 CV     1
 ASSI {  851}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.000     0.500     0.500 peak   851 weight  0.10000E+01 volume  0.14722E-01 ppm1      9.180 ppm2      5.251 CV     1
 ASSI { 1587}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.300     1.400     1.400 peak  1587 weight  0.10000E+01 volume  0.21470E-02 ppm1      9.180 ppm2      2.017 CV     1
 ASSI { 1982}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HG1%)
      2.700     0.900     0.900 peak  1982 weight  0.10000E+01 volume  0.68518E-02 ppm1      9.180 ppm2      0.681 CV     1
 ASSI { 2028}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      2.800     1.000     1.000 peak  2028 weight  0.10000E+01 volume  0.30963E-02 ppm1      9.175 ppm2      0.563 CV     1
 ASSI { 1670}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      3.200     1.300     1.300 peak  1670 weight  0.10000E+01 volume  0.13040E-02 ppm1      9.180 ppm2      1.735 CV     1
 ASSI { 1924}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 48   and name HG1%)
      4.100     2.100     1.900 peak  1924 weight  0.10000E+01 volume  0.54837E-03 ppm1      9.185 ppm2      0.821 CV     1
 ASSI {  957}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.500     1.500     1.500 peak   957 weight  0.10000E+01 volume  0.12371E-02 ppm1      9.175 ppm2      4.829 CV     1
 ASSI { 1396}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      4.600     2.700     1.400 peak  1396 weight  0.10000E+01 volume  0.64292E-03 ppm1      9.014 ppm2      3.493 CV     1
 ASSI {  427}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak   427 weight  0.10000E+01 volume  0.21560E-02 ppm1      9.014 ppm2      8.462 CV     1
 ASSI {  844}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.200     0.600     0.600 peak   844 weight  0.10000E+01 volume  0.85361E-02 ppm1      9.014 ppm2      5.274 CV     1
 ASSI { 1677}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      2.800     1.000     1.000 peak  1677 weight  0.10000E+01 volume  0.44716E-02 ppm1      9.014 ppm2      1.712 CV     1
 ASSI { 2034}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      3.800     1.800     1.800 peak  2034 weight  0.10000E+01 volume  0.16165E-02 ppm1      9.023 ppm2      0.563 CV     1
 ASSI {  887}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak   887 weight  0.10000E+01 volume  0.11478E-02 ppm1      9.009 ppm2      5.087 CV     1
 ASSI { 1650}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.700     0.900     0.900 peak  1650 weight  0.10000E+01 volume  0.38646E-02 ppm1      9.009 ppm2      1.806 CV     1
 OR { 1650}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI { 1623}
   (( segid "    " and resid 42   and name HE22))
   (( segid "    " and resid 42   and name HB1 ))
      4.000     2.000     2.000 peak  1623 weight  0.10000E+01 volume  0.11160E-02 ppm1      7.371 ppm2      1.876 CV     1
 OR { 1623}
   (( segid "    " and resid 42   and name HE22))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI { 1368}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.700     1.700     1.700 peak  1368 weight  0.10000E+01 volume  0.11375E-02 ppm1      9.019 ppm2      3.727 CV     1
 OR { 1368}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI {  891}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.300     0.700     0.700 peak   891 weight  0.10000E+01 volume  0.70236E-02 ppm1      8.813 ppm2      5.087 CV     1
 ASSI {  907}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.300     1.300     1.300 peak   907 weight  0.10000E+01 volume  0.12150E-02 ppm1      8.813 ppm2      4.970 CV     1
 ASSI { 1354}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.300     1.400     1.400 peak  1354 weight  0.10000E+01 volume  0.11234E-02 ppm1      8.813 ppm2      3.751 CV     1
 OR { 1354}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  858}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.600     1.600     1.600 peak   858 weight  0.10000E+01 volume  0.87198E-03 ppm1      8.818 ppm2      5.204 CV     1
 ASSI { 1251}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.800     1.800     1.800 peak  1251 weight  0.10000E+01 volume  0.77962E-03 ppm1      7.708 ppm2      4.337 CV     1
 ASSI { 1693}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      3.800     1.800     1.800 peak  1693 weight  0.10000E+01 volume  0.72013E-03 ppm1      7.708 ppm2      1.665 CV     1
 OR { 1693}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 1178}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.300     1.400     1.400 peak  1178 weight  0.10000E+01 volume  0.11919E-02 ppm1      8.285 ppm2      4.548 CV     1
 ASSI { 1377}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.900     1.900     1.900 peak  1377 weight  0.10000E+01 volume  0.64735E-03 ppm1      8.285 ppm2      3.657 CV     1
 OR { 1377}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
 ASSI { 1989}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 41   and name HG1%)
      2.700     0.900     0.900 peak  1989 weight  0.10000E+01 volume  0.16896E-02 ppm1      9.170 ppm2      0.681 CV     1
 ASSI { 2013}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      4.000     2.000     2.000 peak  2013 weight  0.10000E+01 volume  0.45670E-03 ppm1      9.165 ppm2      0.563 CV     1
 ASSI {  202}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.800     1.800     1.800 peak   202 weight  0.10000E+01 volume  0.53128E-03 ppm1      9.165 ppm2      9.024 CV     1
 ASSI {  892}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.600     1.600     1.600 peak   892 weight  0.10000E+01 volume  0.86455E-03 ppm1      9.170 ppm2      5.087 CV     1
 ASSI {  863}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.200     0.600     0.600 peak   863 weight  0.10000E+01 volume  0.10041E-01 ppm1      9.170 ppm2      5.181 CV     1
 ASSI { 1246}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.100     1.200     1.200 peak  1246 weight  0.10000E+01 volume  0.15472E-02 ppm1      9.170 ppm2      4.360 CV     1
 ASSI { 1655}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.900     1.100     1.100 peak  1655 weight  0.10000E+01 volume  0.29976E-02 ppm1      9.165 ppm2      1.782 CV     1
 ASSI { 1942}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.000     1.200     1.200 peak  1942 weight  0.10000E+01 volume  0.20656E-02 ppm1      9.170 ppm2      0.798 CV     1
 ASSI { 1248}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.400     0.700     0.700 peak  1248 weight  0.10000E+01 volume  0.77598E-02 ppm1      8.583 ppm2      4.337 CV     1
 ASSI { 1923}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HG1%)
      2.800     1.000     1.000 peak  1923 weight  0.10000E+01 volume  0.53800E-02 ppm1      8.588 ppm2      0.821 CV     1
 ASSI { 1338}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      3.200     1.300     1.300 peak  1338 weight  0.10000E+01 volume  0.29466E-02 ppm1      8.583 ppm2      3.938 CV     1
 ASSI {  853}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.400     1.400     1.400 peak   853 weight  0.10000E+01 volume  0.94115E-03 ppm1      9.190 ppm2      5.251 CV     1
 ASSI {  951}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.400     0.700     0.700 peak   951 weight  0.10000E+01 volume  0.54347E-02 ppm1      9.185 ppm2      4.829 CV     1
 ASSI {  345}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      4.500     2.500     1.500 peak   345 weight  0.10000E+01 volume  0.38263E-03 ppm1      9.195 ppm2      8.579 CV     1
 ASSI { 1220}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.300     1.300     1.300 peak  1220 weight  0.10000E+01 volume  0.95608E-03 ppm1      9.185 ppm2      4.431 CV     1
 ASSI { 1552}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB  ))
      2.700     0.900     0.900 peak  1552 weight  0.10000E+01 volume  0.27094E-02 ppm1      9.185 ppm2      2.345 CV     1
 ASSI { 2000}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HD1%)
      4.400     2.400     1.600 peak  2000 weight  0.10000E+01 volume  0.64470E-03 ppm1      9.185 ppm2      0.610 CV     1
 ASSI { 1723}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG12))
      3.100     1.200     1.200 peak  1723 weight  0.10000E+01 volume  0.13914E-02 ppm1      9.185 ppm2      1.548 CV     1
 OR { 1723}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG11))
 ASSI { 1864}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HG2%)
      4.100     2.100     1.900 peak  1864 weight  0.10000E+01 volume  0.16410E-02 ppm1      9.185 ppm2      1.009 CV     1
 ASSI { 1215}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.400     0.700     0.700 peak  1215 weight  0.10000E+01 volume  0.52370E-02 ppm1      8.539 ppm2      4.431 CV     1
 ASSI { 1860}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
      3.500     1.500     1.500 peak  1860 weight  0.10000E+01 volume  0.15535E-02 ppm1      8.549 ppm2      1.032 CV     1
 ASSI { 1775}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      4.100     2.100     1.900 peak  1775 weight  0.10000E+01 volume  0.14866E-02 ppm1      8.911 ppm2      1.313 CV     1
 OR { 1775}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI { 1843}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      4.000     2.000     2.000 peak  1843 weight  0.10000E+01 volume  0.18891E-02 ppm1      8.911 ppm2      1.079 CV     1
 OR { 1843}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
 ASSI { 1724}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.600     1.600     1.600 peak  1724 weight  0.10000E+01 volume  0.11045E-02 ppm1      8.906 ppm2      1.524 CV     1
 OR { 1724}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
 ASSI {  882}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.100     0.600     0.600 peak   882 weight  0.10000E+01 volume  0.12411E-01 ppm1      8.911 ppm2      5.110 CV     1
 ASSI { 1346}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB  ))
      2.500     0.800     0.800 peak  1346 weight  0.10000E+01 volume  0.54042E-02 ppm1      8.911 ppm2      3.845 CV     1
 ASSI { 1300}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.500     0.800     0.800 peak  1300 weight  0.10000E+01 volume  0.64941E-02 ppm1      8.911 ppm2      4.149 CV     1
 ASSI { 1393}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.400     0.700     0.700 peak  1393 weight  0.10000E+01 volume  0.70201E-02 ppm1      8.911 ppm2      3.517 CV     1
 OR { 1393}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 1374}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.700     0.900     0.900 peak  1374 weight  0.10000E+01 volume  0.39962E-02 ppm1      6.036 ppm2      3.704 CV     1
 OR { 1374}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 1810}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.500     1.600     1.600 peak  1810 weight  0.10000E+01 volume  0.14485E-02 ppm1      6.041 ppm2      1.196 CV     1
 OR { 1810}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  666}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      2.900     1.000     1.000 peak   666 weight  0.10000E+01 volume  0.23214E-02 ppm1      6.036 ppm2      7.501 CV     1
 ASSI { 1371}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.200     1.300     1.300 peak  1371 weight  0.10000E+01 volume  0.12933E-02 ppm1      7.513 ppm2      3.704 CV     1
 OR { 1371}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI { 1294}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.300     1.400     1.400 peak  1294 weight  0.10000E+01 volume  0.15228E-02 ppm1      7.517 ppm2      4.173 CV     1
 ASSI { 1448}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HD1 ))
      3.400     1.400     1.400 peak  1448 weight  0.10000E+01 volume  0.11633E-02 ppm1      7.513 ppm2      3.071 CV     1
 OR { 1448}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HD2 ))
 ASSI { 1011}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.600     0.900     0.900 peak  1011 weight  0.10000E+01 volume  0.39375E-02 ppm1      7.513 ppm2      4.642 CV     1
 ASSI { 1464}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.500     1.500     1.500 peak  1464 weight  0.10000E+01 volume  0.14385E-02 ppm1      7.517 ppm2      2.931 CV     1
 ASSI { 1597}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.800     1.000     1.000 peak  1597 weight  0.10000E+01 volume  0.27523E-02 ppm1      7.517 ppm2      1.970 CV     1
 ASSI { 1014}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.100     0.600     0.600 peak  1014 weight  0.10000E+01 volume  0.16220E-01 ppm1      8.500 ppm2      4.642 CV     1
 ASSI { 1462}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      2.700     0.900     0.900 peak  1462 weight  0.10000E+01 volume  0.37357E-02 ppm1      8.500 ppm2      2.931 CV     1
 ASSI { 1594}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.900     1.900     1.900 peak  1594 weight  0.10000E+01 volume  0.16296E-02 ppm1      8.505 ppm2      1.993 CV     1
 ASSI {  872}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.900     1.000     1.000 peak   872 weight  0.10000E+01 volume  0.25775E-02 ppm1      8.500 ppm2      5.134 CV     1
 ASSI { 1491}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.000     1.100     1.100 peak  1491 weight  0.10000E+01 volume  0.19100E-02 ppm1      8.505 ppm2      2.767 CV     1
 ASSI { 1512}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.000     1.100     1.100 peak  1512 weight  0.10000E+01 volume  0.53263E-02 ppm1      8.500 ppm2      2.579 CV     1
 ASSI { 1824}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      3.400     1.500     1.500 peak  1824 weight  0.10000E+01 volume  0.11776E-02 ppm1      8.828 ppm2      1.173 CV     1
 ASSI {  949}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.600     1.700     1.700 peak   949 weight  0.10000E+01 volume  0.12651E-02 ppm1      8.823 ppm2      4.852 CV     1
 ASSI { 1944}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.200     1.300     1.300 peak  1944 weight  0.10000E+01 volume  0.59008E-02 ppm1      8.823 ppm2      0.798 CV     1
 ASSI {   49}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.500     0.800     0.800 peak    49 weight  0.10000E+01 volume  0.36973E-02 ppm1      8.823 ppm2      9.282 CV     1
 ASSI {  847}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      4.000     2.000     2.000 peak   847 weight  0.10000E+01 volume  0.14884E-02 ppm1      8.823 ppm2      5.251 CV     1
 ASSI {  870}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.000     0.500     0.500 peak   870 weight  0.10000E+01 volume  0.14345E-01 ppm1      8.823 ppm2      5.134 CV     1
 ASSI { 1494}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.900     1.900     1.900 peak  1494 weight  0.10000E+01 volume  0.25121E-02 ppm1      8.828 ppm2      2.767 CV     1
 ASSI { 1513}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.800     1.800     1.800 peak  1513 weight  0.10000E+01 volume  0.12229E-02 ppm1      8.823 ppm2      2.579 CV     1
 ASSI { 1207}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA1 ))
      2.700     0.900     0.900 peak  1207 weight  0.10000E+01 volume  0.33686E-02 ppm1      8.823 ppm2      4.477 CV     1
 OR { 1207}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA2 ))
 ASSI { 2054}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.900     1.900     1.900 peak  2054 weight  0.10000E+01 volume  0.11801E-02 ppm1      8.828 ppm2      0.446 CV     1
 ASSI { 1206}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA2 ))
      2.500     0.800     0.800 peak  1206 weight  0.10000E+01 volume  0.51209E-02 ppm1      8.319 ppm2      4.477 CV     1
 OR { 1206}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA1 ))
 ASSI {  979}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.700     0.900     0.900 peak   979 weight  0.10000E+01 volume  0.25601E-02 ppm1      8.329 ppm2      4.782 CV     1
 ASSI { 1953}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HG2%)
      4.400     2.400     1.600 peak  1953 weight  0.10000E+01 volume  0.53424E-03 ppm1      8.319 ppm2      0.774 CV     1
 ASSI { 1902}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HG1%)
      2.900     1.100     1.100 peak  1902 weight  0.10000E+01 volume  0.33435E-02 ppm1      8.319 ppm2      0.915 CV     1
 ASSI { 1978}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      4.300     2.300     1.700 peak  1978 weight  0.10000E+01 volume  0.11946E-02 ppm1      8.319 ppm2      0.681 CV     1
 ASSI { 2056}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.100     1.200     1.200 peak  2056 weight  0.10000E+01 volume  0.22155E-02 ppm1      8.329 ppm2      0.446 CV     1
 ASSI { 1588}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.300     1.300     1.300 peak  1588 weight  0.10000E+01 volume  0.11704E-02 ppm1      8.329 ppm2      2.017 CV     1
 OR { 1588}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI {   24}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.700     0.900     0.900 peak    24 weight  0.10000E+01 volume  0.25760E-02 ppm1      8.324 ppm2      9.517 CV     1
 ASSI {  333}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.600     1.600     1.600 peak   333 weight  0.10000E+01 volume  0.13592E-02 ppm1      8.329 ppm2      4.923 CV     1
 ASSI {  544}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak   544 weight  0.10000E+01 volume  0.10374E-02 ppm1      9.190 ppm2      7.946 CV     1
 ASSI {  335}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.900     1.100     1.100 peak   335 weight  0.10000E+01 volume  0.17197E-02 ppm1      9.185 ppm2      4.876 CV     1
 ASSI {  972}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      1.900     0.500     0.500 peak   972 weight  0.10000E+01 volume  0.15048E-01 ppm1      9.190 ppm2      4.806 CV     1
 ASSI { 1899}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 57   and name HG1%)
      3.900     1.900     1.900 peak  1899 weight  0.10000E+01 volume  0.17365E-02 ppm1      9.190 ppm2      0.915 CV     1
 ASSI { 1318}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.700     0.900     0.900 peak  1318 weight  0.10000E+01 volume  0.23732E-02 ppm1      9.185 ppm2      4.079 CV     1
 ASSI { 1537}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.200     0.600     0.600 peak  1537 weight  0.10000E+01 volume  0.82180E-02 ppm1      9.190 ppm2      2.415 CV     1
 ASSI { 1971}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      3.100     1.200     1.200 peak  1971 weight  0.10000E+01 volume  0.58159E-02 ppm1      9.190 ppm2      0.704 CV     1
 ASSI { 1803}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG11))
      2.400     0.700     0.700 peak  1803 weight  0.10000E+01 volume  0.34062E-02 ppm1      9.190 ppm2      1.243 CV     1
 OR { 1803}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
 ASSI { 2009}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.700     1.700     1.700 peak  2009 weight  0.10000E+01 volume  0.23102E-02 ppm1      9.190 ppm2      0.587 CV     1
 ASSI { 1313}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      1.900     0.500     0.500 peak  1313 weight  0.10000E+01 volume  0.13595E-01 ppm1      8.882 ppm2      4.079 CV     1
 ASSI { 1174}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.800     1.000     1.000 peak  1174 weight  0.10000E+01 volume  0.25788E-02 ppm1      8.882 ppm2      4.571 CV     1
 ASSI { 1625}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.000     1.100     1.100 peak  1625 weight  0.10000E+01 volume  0.17387E-02 ppm1      8.887 ppm2      1.876 CV     1
 ASSI { 1747}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      2.500     0.800     0.800 peak  1747 weight  0.10000E+01 volume  0.34131E-02 ppm1      8.882 ppm2      1.431 CV     1
 ASSI { 1720}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HD2 ))
      3.800     1.900     1.900 peak  1720 weight  0.10000E+01 volume  0.24323E-02 ppm1      8.882 ppm2      1.548 CV     1
 OR { 1720}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI {  741}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      2.200     0.600     0.600 peak   741 weight  0.10000E+01 volume  0.85939E-02 ppm1      8.882 ppm2      7.102 CV     1
 ASSI { 1851}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 76   and name HG1%)
      5.000     3.100     1.000 peak  1851 weight  0.10000E+01 volume  0.37376E-03 ppm1      8.887 ppm2      1.056 CV     1
 ASSI { 1781}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      4.000     2.000     2.000 peak  1781 weight  0.10000E+01 volume  0.56420E-03 ppm1      8.887 ppm2      1.290 CV     1
 ASSI { 1566}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      4.400     2.500     1.600 peak  1566 weight  0.10000E+01 volume  0.46790E-03 ppm1      8.882 ppm2      2.251 CV     1
 ASSI { 1533}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      3.300     1.400     1.400 peak  1533 weight  0.10000E+01 volume  0.10795E-02 ppm1      8.882 ppm2      2.438 CV     1
 ASSI {  353}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.500     1.500     1.500 peak   353 weight  0.10000E+01 volume  0.10041E-02 ppm1      8.887 ppm2      8.392 CV     1
 ASSI {  968}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.000     1.100     1.100 peak   968 weight  0.10000E+01 volume  0.34777E-02 ppm1      8.882 ppm2      4.806 CV     1
 ASSI { 2032}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.600     1.700     1.700 peak  2032 weight  0.10000E+01 volume  0.29365E-02 ppm1      8.887 ppm2      0.563 CV     1
 ASSI { 1981}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      3.500     1.500     1.500 peak  1981 weight  0.10000E+01 volume  0.15247E-02 ppm1      8.882 ppm2      0.681 CV     1
 OR { 1981}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
 ASSI { 2052}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      4.600     2.700     1.400 peak  2052 weight  0.10000E+01 volume  0.87026E-03 ppm1      8.877 ppm2      0.446 CV     1
 ASSI { 1315}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.000     2.000     2.000 peak  1315 weight  0.10000E+01 volume  0.15222E-02 ppm1      7.112 ppm2      4.079 CV     1
 ASSI { 2021}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      2.700     0.900     0.900 peak  2021 weight  0.10000E+01 volume  0.38299E-02 ppm1      7.107 ppm2      0.563 CV     1
 ASSI { 1173}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.400     1.400     1.400 peak  1173 weight  0.10000E+01 volume  0.12396E-02 ppm1      7.112 ppm2      4.571 CV     1
 ASSI { 1621}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.000     1.100     1.100 peak  1621 weight  0.10000E+01 volume  0.11791E-02 ppm1      7.112 ppm2      1.876 CV     1
 ASSI { 1742}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      3.700     1.700     1.700 peak  1742 weight  0.10000E+01 volume  0.19702E-02 ppm1      7.112 ppm2      1.431 CV     1
 ASSI { 1255}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak  1255 weight  0.10000E+01 volume  0.33146E-02 ppm1      7.112 ppm2      4.313 CV     1
 ASSI { 1676}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.300     1.300     1.300 peak  1676 weight  0.10000E+01 volume  0.14911E-02 ppm1      7.112 ppm2      1.712 CV     1
 ASSI { 1792}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      3.500     1.500     1.500 peak  1792 weight  0.10000E+01 volume  0.21008E-02 ppm1      7.112 ppm2      1.267 CV     1
 ASSI { 1563}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      4.400     2.400     1.600 peak  1563 weight  0.10000E+01 volume  0.12387E-02 ppm1      7.107 ppm2      2.274 CV     1
 ASSI { 1531}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      3.000     1.100     1.100 peak  1531 weight  0.10000E+01 volume  0.29852E-02 ppm1      7.112 ppm2      2.462 CV     1
 ASSI { 1256}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      1.800     0.400     0.400 peak  1256 weight  0.10000E+01 volume  0.19216E-01 ppm1      8.808 ppm2      4.313 CV     1
 ASSI { 1665}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      4.300     2.300     1.700 peak  1665 weight  0.10000E+01 volume  0.11598E-02 ppm1      8.808 ppm2      1.735 CV     1
 ASSI { 1898}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      3.400     1.500     1.500 peak  1898 weight  0.10000E+01 volume  0.22343E-02 ppm1      8.808 ppm2      0.915 CV     1
 OR { 1898}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG1 ))
 ASSI { 1193}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.900     1.000     1.000 peak  1193 weight  0.10000E+01 volume  0.16723E-02 ppm1      8.813 ppm2      4.524 CV     1
 ASSI { 1933}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.400     1.500     1.500 peak  1933 weight  0.10000E+01 volume  0.21219E-02 ppm1      8.808 ppm2      0.798 CV     1
 ASSI { 1780}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.300     0.700     0.700 peak  1780 weight  0.10000E+01 volume  0.55938E-02 ppm1      8.808 ppm2      1.290 CV     1
 ASSI { 2105}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
      3.600     1.600     1.600 peak  2105 weight  0.10000E+01 volume  0.11016E-02 ppm1      8.808 ppm2      0.024 CV     1
 ASSI { 1993}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG  ))
      2.700     0.900     0.900 peak  1993 weight  0.10000E+01 volume  0.22074E-02 ppm1      8.808 ppm2      0.657 CV     1
 ASSI { 1190}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.200     0.600     0.600 peak  1190 weight  0.10000E+01 volume  0.88034E-02 ppm1      8.055 ppm2      4.524 CV     1
 ASSI { 1936}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.600     1.600     1.600 peak  1936 weight  0.10000E+01 volume  0.12641E-02 ppm1      8.055 ppm2      0.798 CV     1
 ASSI { 1791}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.800     1.800     1.800 peak  1791 weight  0.10000E+01 volume  0.15822E-02 ppm1      8.055 ppm2      1.267 CV     1
 ASSI { 1349}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.100     1.100 peak  1349 weight  0.10000E+01 volume  0.23463E-02 ppm1      8.055 ppm2      3.821 CV     1
 ASSI { 1544}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.400     1.400     1.400 peak  1544 weight  0.10000E+01 volume  0.20564E-02 ppm1      8.055 ppm2      2.392 CV     1
 ASSI { 1508}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.400     0.700     0.700 peak  1508 weight  0.10000E+01 volume  0.49606E-02 ppm1      8.055 ppm2      2.649 CV     1
 ASSI {  825}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.500     1.500     1.500 peak   825 weight  0.10000E+01 volume  0.15605E-02 ppm1      8.055 ppm2      5.602 CV     1
 ASSI { 1941}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.100     1.200     1.200 peak  1941 weight  0.10000E+01 volume  0.17565E-02 ppm1      7.028 ppm2      0.798 CV     1
 ASSI {  530}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.000     1.100     1.100 peak   530 weight  0.10000E+01 volume  0.20167E-02 ppm1      7.028 ppm2      8.040 CV     1
 ASSI {  876}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.000     1.200     1.200 peak   876 weight  0.10000E+01 volume  0.17689E-02 ppm1      7.038 ppm2      5.110 CV     1
 ASSI { 1509}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.900     1.000     1.000 peak  1509 weight  0.10000E+01 volume  0.23030E-02 ppm1      7.028 ppm2      2.649 CV     1
 ASSI {  874}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.300     0.600     0.600 peak   874 weight  0.10000E+01 volume  0.72583E-02 ppm1      9.654 ppm2      5.134 CV     1
 ASSI { 1382}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.300     1.300     1.300 peak  1382 weight  0.10000E+01 volume  0.15594E-02 ppm1      9.649 ppm2      3.657 CV     1
 ASSI { 1490}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.600     0.900     0.900 peak  1490 weight  0.10000E+01 volume  0.27799E-02 ppm1      9.654 ppm2      2.790 CV     1
 ASSI {  873}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.300     0.700     0.700 peak   873 weight  0.10000E+01 volume  0.10294E-01 ppm1      8.388 ppm2      5.134 CV     1
 ASSI { 1466}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.200     0.600     0.600 peak  1466 weight  0.10000E+01 volume  0.58550E-02 ppm1      8.388 ppm2      2.931 CV     1
 ASSI { 1489}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.900     1.000     1.000 peak  1489 weight  0.10000E+01 volume  0.21970E-02 ppm1      8.383 ppm2      2.790 CV     1
 ASSI { 1356}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.600     0.900     0.900 peak  1356 weight  0.10000E+01 volume  0.32040E-02 ppm1      8.383 ppm2      3.751 CV     1
 ASSI { 1743}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.200     1.300     1.300 peak  1743 weight  0.10000E+01 volume  0.29286E-02 ppm1      8.383 ppm2      1.431 CV     1
 ASSI { 1680}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      2.200     0.600     0.600 peak  1680 weight  0.10000E+01 volume  0.82453E-02 ppm1      8.383 ppm2      1.688 CV     1
 ASSI { 1868}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
      3.200     1.300     1.300 peak  1868 weight  0.10000E+01 volume  0.11655E-02 ppm1      8.388 ppm2      0.985 CV     1
 ASSI { 1919}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HD2%)
      4.000     2.000     2.000 peak  1919 weight  0.10000E+01 volume  0.21876E-02 ppm1      8.383 ppm2      0.845 CV     1
 ASSI { 1640}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HG  ))
      2.200     0.600     0.600 peak  1640 weight  0.10000E+01 volume  0.67195E-02 ppm1      8.383 ppm2      1.829 CV     1
 ASSI { 1751}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.600     1.700     1.700 peak  1751 weight  0.10000E+01 volume  0.13856E-02 ppm1      9.028 ppm2      1.407 CV     1
 ASSI { 1303}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.300     0.700     0.700 peak  1303 weight  0.10000E+01 volume  0.11032E-01 ppm1      9.033 ppm2      4.126 CV     1
 ASSI {  633}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.800     0.900     0.900 peak   633 weight  0.10000E+01 volume  0.24562E-02 ppm1      9.033 ppm2      7.618 CV     1
 ASSI { 1363}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      4.100     2.100     1.900 peak  1363 weight  0.10000E+01 volume  0.12436E-02 ppm1      7.640 ppm2      3.727 CV     1
 ASSI { 1311}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.300     1.400     1.400 peak  1311 weight  0.10000E+01 volume  0.18441E-02 ppm1      7.645 ppm2      4.102 CV     1
 ASSI {  997}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.800     1.000     1.000 peak   997 weight  0.10000E+01 volume  0.28957E-02 ppm1      7.645 ppm2      4.688 CV     1
 ASSI { 1482}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.600     1.600     1.600 peak  1482 weight  0.10000E+01 volume  0.24399E-02 ppm1      7.640 ppm2      2.837 CV     1
 ASSI { 1432}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.300     0.700     0.700 peak  1432 weight  0.10000E+01 volume  0.49434E-02 ppm1      7.645 ppm2      3.165 CV     1
 ASSI {  991}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.100     0.500     0.500 peak   991 weight  0.10000E+01 volume  0.17928E-01 ppm1      7.874 ppm2      4.712 CV     1
 ASSI { 1479}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.400     0.700     0.700 peak  1479 weight  0.10000E+01 volume  0.60675E-02 ppm1      7.874 ppm2      2.837 CV     1
 ASSI { 1434}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.800     1.800     1.800 peak  1434 weight  0.10000E+01 volume  0.19314E-02 ppm1      7.874 ppm2      3.142 CV     1
 ASSI { 1261}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.700     0.900     0.900 peak  1261 weight  0.10000E+01 volume  0.31797E-02 ppm1      7.879 ppm2      4.290 CV     1
 ASSI { 1717}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      2.300     0.600     0.600 peak  1717 weight  0.10000E+01 volume  0.10314E-01 ppm1      7.874 ppm2      1.571 CV     1
 ASSI { 1979}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HD1%)
      3.700     1.700     1.700 peak  1979 weight  0.10000E+01 volume  0.15341E-02 ppm1      7.874 ppm2      0.681 CV     1
 ASSI { 1741}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG12))
      2.600     0.900     0.900 peak  1741 weight  0.10000E+01 volume  0.46828E-02 ppm1      7.874 ppm2      1.454 CV     1
 OR { 1741}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG11))
 ASSI { 2069}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      3.900     1.900     1.900 peak  2069 weight  0.10000E+01 volume  0.17819E-02 ppm1      7.879 ppm2      0.329 CV     1
 ASSI {  955}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.200     1.300     1.300 peak   955 weight  0.10000E+01 volume  0.24073E-02 ppm1      8.662 ppm2      4.829 CV     1
 ASSI { 1262}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      1.900     0.500     0.500 peak  1262 weight  0.10000E+01 volume  0.21645E-01 ppm1      8.652 ppm2      4.290 CV     1
 ASSI { 1715}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      4.100     2.100     1.900 peak  1715 weight  0.10000E+01 volume  0.81765E-03 ppm1      8.652 ppm2      1.571 CV     1
 ASSI { 1988}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 68   and name HD1%)
      3.000     1.100     1.100 peak  1988 weight  0.10000E+01 volume  0.10080E-02 ppm1      8.652 ppm2      0.681 CV     1
 ASSI { 1324}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.900     1.100     1.100 peak  1324 weight  0.10000E+01 volume  0.23762E-02 ppm1      8.657 ppm2      4.032 CV     1
 ASSI { 1325}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.600     0.800     0.800 peak  1325 weight  0.10000E+01 volume  0.39174E-02 ppm1      6.476 ppm2      4.032 CV     1
 ASSI { 1535}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      2.800     1.000     1.000 peak  1535 weight  0.10000E+01 volume  0.21034E-02 ppm1      6.476 ppm2      2.438 CV     1
 ASSI {  917}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.300     0.600     0.600 peak   917 weight  0.10000E+01 volume  0.94404E-02 ppm1      8.354 ppm2      4.946 CV     1
 ASSI { 1439}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      3.500     1.600     1.600 peak  1439 weight  0.10000E+01 volume  0.11760E-02 ppm1      8.354 ppm2      3.118 CV     1
 ASSI { 1421}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.000     1.100     1.100 peak  1421 weight  0.10000E+01 volume  0.19489E-02 ppm1      8.349 ppm2      3.376 CV     1
 ASSI { 1617}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB  ))
      2.500     0.800     0.800 peak  1617 weight  0.10000E+01 volume  0.60845E-02 ppm1      8.349 ppm2      1.923 CV     1
 ASSI { 1931}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 71   and name HG1%)
      2.900     1.000     1.000 peak  1931 weight  0.10000E+01 volume  0.44108E-02 ppm1      8.349 ppm2      0.821 CV     1
 ASSI { 1418}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.300     0.700     0.700 peak  1418 weight  0.10000E+01 volume  0.65972E-02 ppm1      9.239 ppm2      3.376 CV     1
 ASSI { 1874}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 71   and name HG2%)
      3.300     1.300     1.300 peak  1874 weight  0.10000E+01 volume  0.21745E-02 ppm1      9.239 ppm2      0.938 CV     1
 ASSI { 1239}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA2 ))
      3.000     1.100     1.100 peak  1239 weight  0.10000E+01 volume  0.20908E-02 ppm1      9.243 ppm2      4.384 CV     1
 OR { 1239}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA1 ))
 ASSI { 1762}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 8    and name HG1 ))
      3.100     1.200     1.200 peak  1762 weight  0.10000E+01 volume  0.19394E-02 ppm1      7.508 ppm2      1.360 CV     1
 OR { 1762}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 8    and name HG2 ))
 ASSI { 1419}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.500     1.600     1.600 peak  1419 weight  0.10000E+01 volume  0.17654E-02 ppm1      7.508 ppm2      3.376 CV     1
 ASSI { 1240}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA2 ))
      3.400     1.400     1.400 peak  1240 weight  0.10000E+01 volume  0.17133E-02 ppm1      7.513 ppm2      4.384 CV     1
 OR { 1240}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA1 ))
 ASSI {   71}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.700     0.900     0.900 peak    71 weight  0.10000E+01 volume  0.40937E-02 ppm1      7.513 ppm2      9.235 CV     1
 ASSI {  936}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.700     0.900     0.900 peak   936 weight  0.10000E+01 volume  0.32201E-02 ppm1      7.508 ppm2      4.876 CV     1
 ASSI { 1595}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.600     0.900     0.900 peak  1595 weight  0.10000E+01 volume  0.55084E-02 ppm1      7.517 ppm2      1.993 CV     1
 OR { 1595}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI { 1288}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.600     0.900     0.900 peak  1288 weight  0.10000E+01 volume  0.29234E-02 ppm1      9.180 ppm2      4.196 CV     1
 ASSI { 1369}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.000     0.500     0.500 peak  1369 weight  0.10000E+01 volume  0.10380E-01 ppm1      9.185 ppm2      3.727 CV     1
 ASSI {  935}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   935 weight  0.10000E+01 volume  0.16820E-02 ppm1      9.180 ppm2      4.876 CV     1
 ASSI { 1608}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.800     1.000     1.000 peak  1608 weight  0.10000E+01 volume  0.27223E-02 ppm1      9.180 ppm2      1.946 CV     1
 OR { 1608}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  639}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.100     0.600     0.600 peak   639 weight  0.10000E+01 volume  0.82195E-02 ppm1      9.180 ppm2      7.595 CV     1
 ASSI { 1395}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.400     1.400     1.400 peak  1395 weight  0.10000E+01 volume  0.18283E-02 ppm1      7.605 ppm2      3.493 CV     1
 OR { 1395}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI { 1292}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      4.800     2.800     1.200 peak  1292 weight  0.10000E+01 volume  0.64236E-03 ppm1      7.605 ppm2      4.173 CV     1
 ASSI { 1362}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      4.000     2.000     2.000 peak  1362 weight  0.10000E+01 volume  0.17752E-02 ppm1      7.601 ppm2      3.727 CV     1
 ASSI {  930}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.500     1.500     1.500 peak   930 weight  0.10000E+01 volume  0.13223E-02 ppm1      7.605 ppm2      4.899 CV     1
 ASSI { 1607}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      3.000     1.200     1.200 peak  1607 weight  0.10000E+01 volume  0.36539E-02 ppm1      7.605 ppm2      1.946 CV     1
 OR { 1607}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 1888}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      3.800     1.800     1.800 peak  1888 weight  0.10000E+01 volume  0.11683E-02 ppm1      7.601 ppm2      0.938 CV     1
 ASSI {  827}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.800     1.000     1.000 peak   827 weight  0.10000E+01 volume  0.24697E-02 ppm1      7.601 ppm2      5.602 CV     1
 ASSI { 1850}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HG1%)
      2.600     0.800     0.800 peak  1850 weight  0.10000E+01 volume  0.34427E-02 ppm1      7.605 ppm2      1.056 CV     1
 ASSI { 1795}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      3.800     1.800     1.800 peak  1795 weight  0.10000E+01 volume  0.15548E-02 ppm1      7.605 ppm2      1.267 CV     1
 ASSI { 1317}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.400     2.400     1.600 peak  1317 weight  0.10000E+01 volume  0.47369E-03 ppm1      8.412 ppm2      4.079 CV     1
 ASSI {  463}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      2.700     0.900     0.900 peak   463 weight  0.10000E+01 volume  0.39801E-02 ppm1      8.407 ppm2      7.102 CV     1
 ASSI {  828}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.200     0.600     0.600 peak   828 weight  0.10000E+01 volume  0.70241E-02 ppm1      8.398 ppm2      5.602 CV     1
 ASSI { 1800}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      2.600     0.800     0.800 peak  1800 weight  0.10000E+01 volume  0.20405E-02 ppm1      8.407 ppm2      1.267 CV     1
 ASSI {  818}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.000     1.100     1.100 peak   818 weight  0.10000E+01 volume  0.12314E-02 ppm1      8.398 ppm2      5.884 CV     1
 ASSI {  467}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.400     1.500     1.500 peak   467 weight  0.10000E+01 volume  0.23882E-02 ppm1      8.393 ppm2      2.274 CV     1
 ASSI { 1529}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.200     0.600     0.600 peak  1529 weight  0.10000E+01 volume  0.62448E-02 ppm1      8.398 ppm2      2.462 CV     1
 ASSI { 2040}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 5    and name HG1%)
      4.200     2.200     1.800 peak  2040 weight  0.10000E+01 volume  0.64912E-03 ppm1      9.278 ppm2      0.517 CV     1
 ASSI { 2063}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      3.500     1.500     1.500 peak  2063 weight  0.10000E+01 volume  0.12930E-02 ppm1      9.278 ppm2      0.423 CV     1
 ASSI {  472}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.100     1.200     1.200 peak   472 weight  0.10000E+01 volume  0.15679E-02 ppm1      9.292 ppm2      4.946 CV     1
 ASSI {  822}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.100     0.600     0.600 peak   822 weight  0.10000E+01 volume  0.89214E-02 ppm1      9.278 ppm2      5.884 CV     1
 ASSI { 1564}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.700     1.700     1.700 peak  1564 weight  0.10000E+01 volume  0.10351E-02 ppm1      9.278 ppm2      2.274 CV     1
 ASSI {  475}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      4.300     2.300     1.700 peak   475 weight  0.10000E+01 volume  0.92028E-03 ppm1      9.292 ppm2      2.462 CV     1
 ASSI {  476}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.700     0.900     0.900 peak   476 weight  0.10000E+01 volume  0.27877E-02 ppm1      9.287 ppm2      4.806 CV     1
 ASSI { 1770}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.900     1.100     1.100 peak  1770 weight  0.10000E+01 volume  0.20553E-02 ppm1      9.283 ppm2      1.337 CV     1
 ASSI { 1992}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      3.200     1.200     1.200 peak  1992 weight  0.10000E+01 volume  0.14569E-02 ppm1      9.283 ppm2      0.657 CV     1
 OR { 1992}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
 ASSI {  233}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.200     2.200     1.800 peak   233 weight  0.10000E+01 volume  0.11520E-02 ppm1      9.542 ppm2      8.860 CV     1
 ASSI { 1647}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 57   and name HB  ))
      3.200     1.300     1.300 peak  1647 weight  0.10000E+01 volume  0.19278E-02 ppm1      9.537 ppm2      1.806 CV     1
 ASSI { 1316}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.000     2.000     2.000 peak  1316 weight  0.10000E+01 volume  0.91489E-03 ppm1      9.537 ppm2      4.079 CV     1
 ASSI {  970}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.000     0.500     0.500 peak   970 weight  0.10000E+01 volume  0.15304E-01 ppm1      9.537 ppm2      4.806 CV     1
 ASSI { 1768}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      3.700     1.700     1.700 peak  1768 weight  0.10000E+01 volume  0.78373E-03 ppm1      9.537 ppm2      1.337 CV     1
 ASSI { 1986}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      3.800     1.800     1.800 peak  1986 weight  0.10000E+01 volume  0.11949E-02 ppm1      9.542 ppm2      0.681 CV     1
 ASSI { 2050}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      2.700     0.900     0.900 peak  2050 weight  0.10000E+01 volume  0.31166E-02 ppm1      9.537 ppm2      0.446 CV     1
 ASSI {  940}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak   940 weight  0.10000E+01 volume  0.12224E-02 ppm1      9.532 ppm2      4.876 CV     1
 ASSI { 1586}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.700     0.900     0.900 peak  1586 weight  0.10000E+01 volume  0.40082E-02 ppm1      9.542 ppm2      2.017 CV     1
 OR { 1586}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 1222}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.900     1.900     1.900 peak  1222 weight  0.10000E+01 volume  0.13839E-02 ppm1      8.887 ppm2      4.407 CV     1
 ASSI {  948}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.200     0.600     0.600 peak   948 weight  0.10000E+01 volume  0.83102E-02 ppm1      8.877 ppm2      4.852 CV     1
 ASSI { 1645}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
      4.100     2.100     1.900 peak  1645 weight  0.10000E+01 volume  0.11330E-02 ppm1      8.891 ppm2      1.806 CV     1
 ASSI { 2122}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      4.100     2.100     1.900 peak  2122 weight  0.10000E+01 volume  0.82313E-03 ppm1      8.887 ppm2      9.517 CV     1
 ASSI {  495}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.000     1.100     1.100 peak   495 weight  0.10000E+01 volume  0.20165E-02 ppm1      8.891 ppm2      4.946 CV     1
 ASSI { 1299}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB  ))
      3.700     1.700     1.700 peak  1299 weight  0.10000E+01 volume  0.82586E-03 ppm1      8.887 ppm2      4.149 CV     1
 ASSI { 1867}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 80   and name HG2%)
      2.900     1.000     1.000 peak  1867 weight  0.10000E+01 volume  0.37992E-02 ppm1      8.882 ppm2      0.985 CV     1
 ASSI {  926}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.900     1.900     1.900 peak   926 weight  0.10000E+01 volume  0.41520E-03 ppm1      8.613 ppm2      4.923 CV     1
 ASSI {    2}
   (  segid "    " and resid 5    and name HG2%)
   (  segid "    " and resid 4    and name HG1%)
      3.400     1.400     1.400 peak     2 weight  0.10000E+01 volume  0.40205E-02 ppm1      0.435 ppm2      0.858 CV     1
 ASSI {    3}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 4    and name HB  ))
      3.800     1.800     1.800 peak     3 weight  0.10000E+01 volume  0.15733E-02 ppm1      0.435 ppm2      1.889 CV     1
 ASSI {    4}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HB  ))
      2.400     0.700     0.700 peak     4 weight  0.10000E+01 volume  0.81672E-02 ppm1      0.423 ppm2      1.725 CV     1
 ASSI {    5}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 5    and name HB  ))
      2.400     0.700     0.700 peak     5 weight  0.10000E+01 volume  0.73334E-02 ppm1      0.529 ppm2      1.725 CV     1
 ASSI {    6}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 5    and name HA  ))
      2.600     0.900     0.900 peak     6 weight  0.10000E+01 volume  0.60185E-02 ppm1      0.529 ppm2      4.256 CV     1
 ASSI {    7}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      2.800     1.000     1.000 peak     7 weight  0.10000E+01 volume  0.57538E-02 ppm1      0.423 ppm2      4.256 CV     1
 ASSI {   10}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 9    and name HD2%)
      2.900     1.100     1.100 peak    10 weight  0.10000E+01 volume  0.34411E-02 ppm1      1.976 ppm2      0.460 CV     1
 OR {   10}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 9    and name HD2%)
 ASSI {   14}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 9    and name HB1 ))
      2.400     0.700     0.700 peak    14 weight  0.10000E+01 volume  0.95100E-02 ppm1      0.811 ppm2      1.233 CV     1
 OR {   14}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {   15}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HG  ))
      2.900     1.000     1.000 peak    15 weight  0.10000E+01 volume  0.20286E-02 ppm1      1.964 ppm2      1.585 CV     1
 OR {   15}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HG  ))
 ASSI {   18}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.900     1.000     1.000 peak    18 weight  0.10000E+01 volume  0.21942E-02 ppm1      1.247 ppm2      4.116 CV     1
 OR {   18}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {   20}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 9    and name HA  ))
      2.300     0.600     0.600 peak    20 weight  0.10000E+01 volume  0.15801E-01 ppm1      0.811 ppm2      4.116 CV     1
 ASSI {   23}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak    23 weight  0.10000E+01 volume  0.72785E-02 ppm1      3.776 ppm2      4.397 CV     1
 OR {   23}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {   25}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HG12))
      2.600     0.800     0.800 peak    25 weight  0.10000E+01 volume  0.37833E-02 ppm1      0.588 ppm2      1.022 CV     1
 OR {   25}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HG11))
 ASSI {   27}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HG12))
      2.800     1.000     1.000 peak    27 weight  0.10000E+01 volume  0.34944E-02 ppm1      0.753 ppm2      1.210 CV     1
 OR {   27}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HG11))
 ASSI {   28}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HB  ))
      2.300     0.600     0.600 peak    28 weight  0.10000E+01 volume  0.93380E-02 ppm1      0.753 ppm2      1.866 CV     1
 ASSI {   29}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HB  ))
      2.900     1.100     1.100 peak    29 weight  0.10000E+01 volume  0.22879E-02 ppm1      0.588 ppm2      1.866 CV     1
 ASSI {   30}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      2.400     0.700     0.700 peak    30 weight  0.10000E+01 volume  0.81945E-02 ppm1      0.753 ppm2      4.256 CV     1
 ASSI {   31}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
      3.500     1.500     1.500 peak    31 weight  0.10000E+01 volume  0.23100E-02 ppm1      0.588 ppm2      4.256 CV     1
 ASSI {   32}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 16   and name HD1%)
      3.600     1.600     1.600 peak    32 weight  0.10000E+01 volume  0.25650E-02 ppm1      4.034 ppm2      0.717 CV     1
 ASSI {   33}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HG2 ))
      2.500     0.800     0.800 peak    33 weight  0.10000E+01 volume  0.52447E-02 ppm1      3.199 ppm2      1.608 CV     1
 OR {   33}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HG1 ))
 OR {   33}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {   33}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {   34}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HB1 ))
      2.800     1.000     1.000 peak    34 weight  0.10000E+01 volume  0.37610E-02 ppm1      3.199 ppm2      1.796 CV     1
 OR {   34}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {   34}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HB1 ))
 OR {   34}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {   38}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.600     1.600     1.600 peak    38 weight  0.10000E+01 volume  0.25580E-02 ppm1      3.199 ppm2      4.491 CV     1
 OR {   38}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {   39}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.100     1.200     1.200 peak    39 weight  0.10000E+01 volume  0.20033E-02 ppm1      1.611 ppm2      4.491 CV     1
 OR {   39}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {   40}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HA  ))
      3.300     1.300     1.300 peak    40 weight  0.10000E+01 volume  0.14430E-02 ppm1      2.070 ppm2      4.983 CV     1
 OR {   40}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {   41}
   (( segid "    " and resid 19   and name HB  ))
   (  segid "    " and resid 19   and name HG1%)
      2.500     0.800     0.800 peak    41 weight  0.10000E+01 volume  0.53249E-02 ppm1      1.823 ppm2      0.296 CV     1
 ASSI {   42}
   (( segid "    " and resid 19   and name HB  ))
   (  segid "    " and resid 19   and name HG2%)
      2.300     0.600     0.600 peak    42 weight  0.10000E+01 volume  0.92200E-02 ppm1      1.811 ppm2      0.577 CV     1
 ASSI {   43}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 19   and name HA  ))
      2.400     0.700     0.700 peak    43 weight  0.10000E+01 volume  0.69225E-02 ppm1      1.811 ppm2      4.678 CV     1
 ASSI {   44}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 43   and name HA  ))
      3.500     1.600     1.600 peak    44 weight  0.10000E+01 volume  0.12933E-02 ppm1      1.823 ppm2      4.983 CV     1
 ASSI {   46}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 20   and name HB  ))
      2.100     0.500     0.500 peak    46 weight  0.10000E+01 volume  0.15713E-01 ppm1      0.929 ppm2      3.717 CV     1
 ASSI {   47}
   (( segid "    " and resid 20   and name HB  ))
   (( segid "    " and resid 20   and name HA  ))
      3.100     1.200     1.200 peak    47 weight  0.10000E+01 volume  0.19539E-02 ppm1      3.717 ppm2      4.842 CV     1
 ASSI {   49}
   (  segid "    " and resid 21   and name HG2%)
   (  segid "    " and resid 20   and name HG2%)
      3.700     1.700     1.700 peak    49 weight  0.10000E+01 volume  0.22402E-02 ppm1     -0.071 ppm2      0.952 CV     1
 ASSI {   50}
   (  segid "    " and resid 21   and name HG1%)
   (( segid "    " and resid 20   and name HA  ))
      3.700     1.700     1.700 peak    50 weight  0.10000E+01 volume  0.16263E-02 ppm1      0.294 ppm2      4.819 CV     1
 ASSI {   51}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      2.600     0.800     0.800 peak    51 weight  0.10000E+01 volume  0.40540E-02 ppm1      3.482 ppm2     -0.079 CV     1
 ASSI {   53}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 21   and name HG1%)
      2.400     0.700     0.700 peak    53 weight  0.10000E+01 volume  0.58104E-02 ppm1      1.964 ppm2      0.296 CV     1
 ASSI {   55}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HB  ))
      2.200     0.600     0.600 peak    55 weight  0.10000E+01 volume  0.12034E-01 ppm1     -0.071 ppm2      1.960 CV     1
 ASSI {   56}
   (  segid "    " and resid 21   and name HG1%)
   (( segid "    " and resid 21   and name HA  ))
      2.300     0.700     0.700 peak    56 weight  0.10000E+01 volume  0.96038E-02 ppm1      0.294 ppm2      3.483 CV     1
 ASSI {   60}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 41   and name HA  ))
      2.400     0.700     0.700 peak    60 weight  0.10000E+01 volume  0.34305E-02 ppm1      3.470 ppm2      5.288 CV     1
 ASSI {   62}
   (  segid "    " and resid 21   and name HG2%)
   (  segid "    " and resid 65   and name HD1%)
      3.000     1.100     1.100 peak    62 weight  0.10000E+01 volume  0.52509E-02 ppm1     -0.071 ppm2      0.811 CV     1
 ASSI {   64}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 26   and name HG2%)
      2.200     0.600     0.600 peak    64 weight  0.10000E+01 volume  0.68332E-02 ppm1      2.305 ppm2      1.163 CV     1
 ASSI {   66}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 26   and name HA  ))
      2.300     0.700     0.700 peak    66 weight  0.10000E+01 volume  0.57277E-02 ppm1      2.305 ppm2      4.936 CV     1
 ASSI {   67}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.800     0.800 peak    67 weight  0.10000E+01 volume  0.40575E-02 ppm1      1.058 ppm2      4.936 CV     1
 ASSI {   69}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HD2 ))
      2.500     0.800     0.800 peak    69 weight  0.10000E+01 volume  0.62416E-02 ppm1      1.682 ppm2      1.186 CV     1
 OR {   69}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HD1 ))
 OR {   69}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HD1 ))
 OR {   69}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HD2 ))
 ASSI {   70}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 27   and name HG1 ))
      2.800     1.000     1.000 peak    70 weight  0.10000E+01 volume  0.37262E-02 ppm1      2.952 ppm2      1.374 CV     1
 OR {   70}
   (( segid "    " and resid 27   and name HE1 ))
   (( segid "    " and resid 27   and name HG1 ))
 OR {   70}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 27   and name HG2 ))
 OR {   70}
   (( segid "    " and resid 27   and name HE1 ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI {   71}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HG2 ))
      1.800     0.400     0.400 peak    71 weight  0.10000E+01 volume  0.35597E-01 ppm1      1.635 ppm2      1.374 CV     1
 OR {   71}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HG1 ))
 OR {   71}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HG2 ))
 OR {   71}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI {   73}
   (( segid "    " and resid 27   and name HE1 ))
   (( segid "    " and resid 27   and name HD2 ))
      2.200     0.600     0.600 peak    73 weight  0.10000E+01 volume  0.13978E-01 ppm1      3.023 ppm2      1.631 CV     1
 OR {   73}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 27   and name HD2 ))
 OR {   73}
   (( segid "    " and resid 27   and name HE1 ))
   (( segid "    " and resid 27   and name HD1 ))
 OR {   73}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 27   and name HD1 ))
 ASSI {   75}
   (( segid "    " and resid 27   and name HE1 ))
   (( segid "    " and resid 27   and name HA  ))
      3.300     1.400     1.400 peak    75 weight  0.10000E+01 volume  0.19146E-02 ppm1      2.964 ppm2      4.374 CV     1
 OR {   75}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {   76}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HA  ))
      2.200     0.600     0.600 peak    76 weight  0.10000E+01 volume  0.11139E-01 ppm1      1.694 ppm2      4.397 CV     1
 OR {   76}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {   77}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.500     0.800     0.800 peak    77 weight  0.10000E+01 volume  0.40751E-02 ppm1      3.411 ppm2      1.749 CV     1
 OR {   77}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI {   78}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HB1 ))
      2.000     0.500     0.500 peak    78 weight  0.10000E+01 volume  0.18861E-01 ppm1      1.988 ppm2      1.749 CV     1
 OR {   78}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {   78}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {   78}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {   80}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 28   and name HA  ))
      2.600     0.800     0.800 peak    80 weight  0.10000E+01 volume  0.64470E-02 ppm1      1.988 ppm2      3.413 CV     1
 OR {   80}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {   81}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      2.400     0.700     0.700 peak    81 weight  0.10000E+01 volume  0.55050E-02 ppm1      3.411 ppm2      0.577 CV     1
 ASSI {   83}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      3.600     1.600     1.600 peak    83 weight  0.10000E+01 volume  0.14855E-02 ppm1      3.411 ppm2      0.694 CV     1
 ASSI {   86}
   (( segid "    " and resid 28   and name HG1 ))
   (  segid "    " and resid 61   and name HD1%)
      3.200     1.300     1.300 peak    86 weight  0.10000E+01 volume  0.23415E-02 ppm1      1.988 ppm2      0.014 CV     1
 OR {   86}
   (( segid "    " and resid 28   and name HG2 ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {   90}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.800     1.800     1.800 peak    90 weight  0.10000E+01 volume  0.14226E-02 ppm1      2.199 ppm2      2.592 CV     1
 ASSI {   92}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.100     1.200     1.200 peak    92 weight  0.10000E+01 volume  0.16726E-02 ppm1      5.281 ppm2      3.835 CV     1
 ASSI {   93}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     1.000     1.000 peak    93 weight  0.10000E+01 volume  0.20973E-02 ppm1      3.599 ppm2      5.288 CV     1
 ASSI {   95}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     0.800     0.800 peak    95 weight  0.10000E+01 volume  0.31637E-02 ppm1      5.293 ppm2      5.147 CV     1
 ASSI {   96}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG1 ))
      2.800     1.000     1.000 peak    96 weight  0.10000E+01 volume  0.25350E-02 ppm1      3.082 ppm2      1.069 CV     1
 OR {   96}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG2 ))
 ASSI {   97}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.600     0.900     0.900 peak    97 weight  0.10000E+01 volume  0.42517E-02 ppm1      3.082 ppm2      1.327 CV     1
 OR {   97}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI {   99}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.700     1.700     1.700 peak    99 weight  0.10000E+01 volume  0.17612E-02 ppm1      3.082 ppm2      2.944 CV     1
 OR {   99}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI {  100}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.100     1.200     1.200 peak   100 weight  0.10000E+01 volume  0.15430E-02 ppm1      3.082 ppm2      3.506 CV     1
 OR {  100}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  101}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 52   and name HA  ))
      3.700     1.800     1.800 peak   101 weight  0.10000E+01 volume  0.25525E-02 ppm1      3.082 ppm2      4.139 CV     1
 ASSI {  102}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.400     1.500     1.500 peak   102 weight  0.10000E+01 volume  0.40922E-02 ppm1      3.082 ppm2      1.397 CV     1
 OR {  102}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  103}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      2.500     0.800     0.800 peak   103 weight  0.10000E+01 volume  0.47489E-02 ppm1      3.352 ppm2      4.163 CV     1
 OR {  103}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI {  104}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HG11))
      3.300     1.300     1.300 peak   104 weight  0.10000E+01 volume  0.45702E-02 ppm1      3.352 ppm2      1.163 CV     1
 OR {  104}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HG11))
 OR {  104}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HG12))
 ASSI {  107}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 22   and name HB1 ))
      3.200     1.200     1.200 peak   107 weight  0.10000E+01 volume  0.67341E-02 ppm1      1.741 ppm2      1.374 CV     1
 ASSI {  108}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.200     0.600     0.600 peak   108 weight  0.10000E+01 volume  0.10249E-01 ppm1      1.741 ppm2      1.256 CV     1
 OR {  108}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  110}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.100     1.200     1.200 peak   110 weight  0.10000E+01 volume  0.16785E-02 ppm1      5.258 ppm2      2.006 CV     1
 ASSI {  111}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
      2.900     1.000     1.000 peak   111 weight  0.10000E+01 volume  0.20019E-02 ppm1      5.258 ppm2      4.819 CV     1
 ASSI {  112}
   (  segid "    " and resid 41   and name HG2%)
   (  segid "    " and resid 21   and name HG2%)
      2.500     0.800     0.800 peak   112 weight  0.10000E+01 volume  0.24244E-02 ppm1      0.564 ppm2     -0.079 CV     1
 ASSI {  113}
   (  segid "    " and resid 41   and name HG2%)
   (  segid "    " and resid 21   and name HG1%)
      1.900     0.500     0.500 peak   113 weight  0.10000E+01 volume  0.12871E-01 ppm1      0.564 ppm2      0.296 CV     1
 ASSI {  115}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.900     0.900 peak   115 weight  0.10000E+01 volume  0.11162E-01 ppm1      0.564 ppm2      3.483 CV     1
 ASSI {  116}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
      3.900     1.900     1.900 peak   116 weight  0.10000E+01 volume  0.22737E-02 ppm1      0.564 ppm2      1.585 CV     1
 ASSI {  118}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 41   and name HG1%)
      3.200     1.300     1.300 peak   118 weight  0.10000E+01 volume  0.12808E-02 ppm1      5.293 ppm2      0.694 CV     1
 ASSI {  119}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB  ))
      2.700     0.900     0.900 peak   119 weight  0.10000E+01 volume  0.27252E-02 ppm1      5.281 ppm2      1.702 CV     1
 ASSI {  120}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HB  ))
      2.300     0.600     0.600 peak   120 weight  0.10000E+01 volume  0.98093E-02 ppm1      0.564 ppm2      1.702 CV     1
 ASSI {  121}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      2.300     0.700     0.700 peak   121 weight  0.10000E+01 volume  0.14113E-01 ppm1      0.564 ppm2      5.288 CV     1
 ASSI {  124}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 42   and name HB2 ))
      2.600     0.800     0.800 peak   124 weight  0.10000E+01 volume  0.50306E-02 ppm1      2.305 ppm2      1.913 CV     1
 OR {  124}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HB1 ))
 OR {  124}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HB2 ))
 OR {  124}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI {  125}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HA  ))
      2.900     1.100     1.100 peak   125 weight  0.10000E+01 volume  0.21590E-02 ppm1      2.294 ppm2      5.100 CV     1
 OR {  125}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  129}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 19   and name HG2%)
      3.200     1.300     1.300 peak   129 weight  0.10000E+01 volume  0.17486E-02 ppm1      3.740 ppm2      0.577 CV     1
 OR {  129}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 19   and name HG2%)
 ASSI {  131}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.900     1.000     1.000 peak   131 weight  0.10000E+01 volume  0.25539E-02 ppm1      3.740 ppm2      5.006 CV     1
 OR {  131}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  132}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   132 weight  0.10000E+01 volume  0.32604E-02 ppm1      5.187 ppm2      5.100 CV     1
 ASSI {  133}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HA  ))
      2.900     1.000     1.000 peak   133 weight  0.10000E+01 volume  0.26354E-02 ppm1      3.658 ppm2      5.194 CV     1
 OR {  133}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  137}
   (( segid "    " and resid 49   and name HB  ))
   (  segid "    " and resid 49   and name HG2%)
      2.800     1.000     1.000 peak   137 weight  0.10000E+01 volume  0.33819E-02 ppm1      3.940 ppm2      1.163 CV     1
 ASSI {  138}
   (( segid "    " and resid 50   and name HG11))
   (( segid "    " and resid 38   and name HB  ))
      3.300     1.400     1.400 peak   138 weight  0.10000E+01 volume  0.37989E-02 ppm1      1.564 ppm2      1.936 CV     1
 OR {  138}
   (( segid "    " and resid 50   and name HG12))
   (( segid "    " and resid 38   and name HB  ))
 ASSI {  141}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 50   and name HD1%)
      2.500     0.800     0.800 peak   141 weight  0.10000E+01 volume  0.65439E-02 ppm1      1.023 ppm2      0.624 CV     1
 ASSI {  142}
   (( segid "    " and resid 50   and name HB  ))
   (  segid "    " and resid 50   and name HG2%)
      2.300     0.600     0.600 peak   142 weight  0.10000E+01 volume  0.76818E-02 ppm1      2.364 ppm2      1.022 CV     1
 ASSI {  143}
   (( segid "    " and resid 50   and name HG11))
   (  segid "    " and resid 50   and name HG2%)
      2.500     0.800     0.800 peak   143 weight  0.10000E+01 volume  0.74674E-02 ppm1      1.564 ppm2      1.022 CV     1
 OR {  143}
   (( segid "    " and resid 50   and name HG12))
   (  segid "    " and resid 50   and name HG2%)
 ASSI {  145}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 50   and name HG11))
      2.700     0.900     0.900 peak   145 weight  0.10000E+01 volume  0.26207E-02 ppm1      2.364 ppm2      1.561 CV     1
 OR {  145}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 50   and name HG12))
 ASSI {  148}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 50   and name HA  ))
      2.500     0.800     0.800 peak   148 weight  0.10000E+01 volume  0.57217E-02 ppm1      1.023 ppm2      4.421 CV     1
 ASSI {  149}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 50   and name HA  ))
      3.100     1.200     1.200 peak   149 weight  0.10000E+01 volume  0.16533E-02 ppm1      2.364 ppm2      4.421 CV     1
 ASSI {  151}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 37   and name HA  ))
      2.900     1.000     1.000 peak   151 weight  0.10000E+01 volume  0.20260E-02 ppm1      5.117 ppm2      4.163 CV     1
 ASSI {  152}
   (( segid "    " and resid 51   and name HB  ))
   (  segid "    " and resid 51   and name HG2%)
      2.700     0.900     0.900 peak   152 weight  0.10000E+01 volume  0.40725E-02 ppm1      3.846 ppm2      1.069 CV     1
 ASSI {  153}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HG2%)
      2.900     1.100     1.100 peak   153 weight  0.10000E+01 volume  0.21251E-02 ppm1      5.117 ppm2      1.069 CV     1
 ASSI {  155}
   (( segid "    " and resid 51   and name HB  ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     1.000     1.000 peak   155 weight  0.10000E+01 volume  0.29655E-02 ppm1      3.858 ppm2      5.124 CV     1
 ASSI {  156}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
      3.200     1.300     1.300 peak   156 weight  0.10000E+01 volume  0.22953E-02 ppm1      3.529 ppm2      0.811 CV     1
 OR {  156}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI {  157}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.500     0.800     0.800 peak   157 weight  0.10000E+01 volume  0.66999E-02 ppm1      3.529 ppm2      4.139 CV     1
 OR {  157}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI {  159}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HB2 ))
      2.500     0.800     0.800 peak   159 weight  0.10000E+01 volume  0.74481E-02 ppm1      3.082 ppm2      1.350 CV     1
 OR {  159}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  159}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI {  160}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.600     0.800     0.800 peak   160 weight  0.10000E+01 volume  0.44874E-02 ppm1      3.082 ppm2      1.444 CV     1
 OR {  160}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HG1 ))
 OR {  160}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HG2 ))
 OR {  160}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  161}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HA  ))
      3.100     1.200     1.200 peak   161 weight  0.10000E+01 volume  0.37402E-02 ppm1      3.082 ppm2      4.210 CV     1
 OR {  161}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  164}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
      2.700     0.900     0.900 peak   164 weight  0.10000E+01 volume  0.35851E-02 ppm1      2.929 ppm2      4.655 CV     1
 ASSI {  165}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
      3.000     1.100     1.100 peak   165 weight  0.10000E+01 volume  0.23510E-02 ppm1      1.988 ppm2      4.655 CV     1
 ASSI {  167}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      3.200     1.300     1.300 peak   167 weight  0.10000E+01 volume  0.16451E-02 ppm1      2.788 ppm2      5.288 CV     1
 ASSI {  169}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     0.900     0.900 peak   169 weight  0.10000E+01 volume  0.42419E-02 ppm1      2.776 ppm2      5.147 CV     1
 ASSI {  170}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   170 weight  0.10000E+01 volume  0.39599E-02 ppm1      2.588 ppm2      5.147 CV     1
 ASSI {  171}
   (  segid "    " and resid 57   and name HG1%)
   (( segid "    " and resid 29   and name HA2 ))
      2.800     1.000     1.000 peak   171 weight  0.10000E+01 volume  0.39078E-02 ppm1      0.729 ppm2      3.460 CV     1
 OR {  171}
   (  segid "    " and resid 57   and name HG1%)
   (( segid "    " and resid 29   and name HA1 ))
 ASSI {  173}
   (  segid "    " and resid 57   and name HG1%)
   (  segid "    " and resid 31   and name HG2%)
      3.600     1.600     1.600 peak   173 weight  0.10000E+01 volume  0.27351E-02 ppm1      0.729 ppm2      1.163 CV     1
 ASSI {  174}
   (  segid "    " and resid 57   and name HG1%)
   (( segid "    " and resid 57   and name HB  ))
      2.100     0.600     0.600 peak   174 weight  0.10000E+01 volume  0.14920E-01 ppm1      0.729 ppm2      1.796 CV     1
 ASSI {  175}
   (  segid "    " and resid 57   and name HG1%)
   (( segid "    " and resid 58   and name HG11))
      3.900     1.900     1.900 peak   175 weight  0.10000E+01 volume  0.15114E-02 ppm1      0.729 ppm2      1.256 CV     1
 OR {  175}
   (  segid "    " and resid 57   and name HG1%)
   (( segid "    " and resid 58   and name HG12))
 ASSI {  176}
   (  segid "    " and resid 57   and name HG1%)
   (( segid "    " and resid 59   and name HB2 ))
      3.100     1.200     1.200 peak   176 weight  0.10000E+01 volume  0.13857E-02 ppm1      0.729 ppm2      1.421 CV     1
 ASSI {  177}
   (  segid "    " and resid 57   and name HG1%)
   (( segid "    " and resid 79   and name HB2 ))
      3.500     1.500     1.500 peak   177 weight  0.10000E+01 volume  0.19974E-02 ppm1      0.729 ppm2      1.983 CV     1
 OR {  177}
   (  segid "    " and resid 57   and name HG1%)
   (( segid "    " and resid 79   and name HB1 ))
 ASSI {  181}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 58   and name HD1%)
      1.800     0.400     0.400 peak   181 weight  0.10000E+01 volume  0.29000E-01 ppm1      0.576 ppm2      0.694 CV     1
 ASSI {  182}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HG12))
      2.300     0.600     0.600 peak   182 weight  0.10000E+01 volume  0.67326E-02 ppm1      0.576 ppm2      1.256 CV     1
 OR {  182}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HG11))
 ASSI {  183}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      2.100     0.500     0.500 peak   183 weight  0.10000E+01 volume  0.10554E-01 ppm1      0.588 ppm2      2.428 CV     1
 ASSI {  184}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      2.300     0.600     0.600 peak   184 weight  0.10000E+01 volume  0.64627E-02 ppm1      0.576 ppm2      4.069 CV     1
 ASSI {  185}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 77   and name HB2 ))
      3.600     1.600     1.600 peak   185 weight  0.10000E+01 volume  0.23167E-02 ppm1      0.576 ppm2      2.288 CV     1
 ASSI {  186}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 78   and name HG2%)
      2.500     0.800     0.800 peak   186 weight  0.10000E+01 volume  0.18109E-01 ppm1      0.576 ppm2      0.460 CV     1
 ASSI {  188}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 59   and name HB1 ))
      3.200     1.300     1.300 peak   188 weight  0.10000E+01 volume  0.18249E-02 ppm1      1.988 ppm2      1.842 CV     1
 OR {  188}
   (( segid "    " and resid 60   and name HE1 ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI {  190}
   (( segid "    " and resid 60   and name HD1 ))
   (( segid "    " and resid 60   and name HG2 ))
      2.800     1.000     1.000 peak   190 weight  0.10000E+01 volume  0.21432E-02 ppm1      1.153 ppm2      0.225 CV     1
 OR {  190}
   (( segid "    " and resid 60   and name HD2 ))
   (( segid "    " and resid 60   and name HG1 ))
 OR {  190}
   (( segid "    " and resid 60   and name HD2 ))
   (( segid "    " and resid 60   and name HG2 ))
 OR {  190}
   (( segid "    " and resid 60   and name HD1 ))
   (( segid "    " and resid 60   and name HG1 ))
 ASSI {  192}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 60   and name HG1 ))
      2.700     0.900     0.900 peak   192 weight  0.10000E+01 volume  0.52616E-02 ppm1      1.976 ppm2      0.952 CV     1
 OR {  192}
   (( segid "    " and resid 60   and name HE1 ))
   (( segid "    " and resid 60   and name HG1 ))
 OR {  192}
   (( segid "    " and resid 60   and name HE1 ))
   (( segid "    " and resid 60   and name HG2 ))
 OR {  192}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI {  194}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 60   and name HD2 ))
      2.500     0.800     0.800 peak   194 weight  0.10000E+01 volume  0.39459E-02 ppm1      2.117 ppm2      1.163 CV     1
 OR {  194}
   (( segid "    " and resid 60   and name HE1 ))
   (( segid "    " and resid 60   and name HD1 ))
 OR {  194}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 60   and name HD1 ))
 OR {  194}
   (( segid "    " and resid 60   and name HE1 ))
   (( segid "    " and resid 60   and name HD2 ))
 ASSI {  195}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak   195 weight  0.10000E+01 volume  0.32561E-02 ppm1      1.729 ppm2      4.327 CV     1
 ASSI {  196}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HA  ))
      2.700     0.900     0.900 peak   196 weight  0.10000E+01 volume  0.19398E-02 ppm1      1.282 ppm2      4.327 CV     1
 ASSI {  199}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 27   and name HA  ))
      3.400     1.400     1.400 peak   199 weight  0.10000E+01 volume  0.28803E-02 ppm1     -0.306 ppm2      4.397 CV     1
 ASSI {  200}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 28   and name HA  ))
      3.100     1.200     1.200 peak   200 weight  0.10000E+01 volume  0.13987E-02 ppm1      0.035 ppm2      3.413 CV     1
 ASSI {  204}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 61   and name HD1%)
      2.800     1.000     1.000 peak   204 weight  0.10000E+01 volume  0.20254E-02 ppm1      1.305 ppm2      0.014 CV     1
 ASSI {  207}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HG  ))
      2.500     0.800     0.800 peak   207 weight  0.10000E+01 volume  0.51129E-02 ppm1      1.305 ppm2      0.671 CV     1
 ASSI {  208}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HG  ))
      2.800     1.000     1.000 peak   208 weight  0.10000E+01 volume  0.31459E-02 ppm1      0.811 ppm2      0.671 CV     1
 ASSI {  209}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HG  ))
      2.200     0.600     0.600 peak   209 weight  0.10000E+01 volume  0.82258E-02 ppm1      0.035 ppm2      0.671 CV     1
 ASSI {  210}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 61   and name HG  ))
      2.200     0.600     0.600 peak   210 weight  0.10000E+01 volume  0.66944E-02 ppm1     -0.306 ppm2      0.671 CV     1
 ASSI {  211}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HB1 ))
      3.100     1.200     1.200 peak   211 weight  0.10000E+01 volume  0.34820E-02 ppm1      0.023 ppm2      0.788 CV     1
 ASSI {  212}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 61   and name HB1 ))
      2.400     0.700     0.700 peak   212 weight  0.10000E+01 volume  0.34384E-02 ppm1     -0.306 ppm2      0.788 CV     1
 ASSI {  213}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 61   and name HB2 ))
      2.900     1.100     1.100 peak   213 weight  0.10000E+01 volume  0.64078E-02 ppm1     -0.306 ppm2      1.280 CV     1
 ASSI {  214}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HA  ))
      2.500     0.800     0.800 peak   214 weight  0.10000E+01 volume  0.28989E-02 ppm1      0.811 ppm2      4.538 CV     1
 ASSI {  215}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
      3.100     1.200     1.200 peak   215 weight  0.10000E+01 volume  0.28341E-02 ppm1      1.305 ppm2      4.538 CV     1
 ASSI {  216}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   216 weight  0.10000E+01 volume  0.49002E-02 ppm1     -0.306 ppm2      4.538 CV     1
 ASSI {  217}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HA  ))
      3.700     1.700     1.700 peak   217 weight  0.10000E+01 volume  0.22811E-02 ppm1      0.023 ppm2      4.538 CV     1
 ASSI {  218}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
      3.600     1.600     1.600 peak   218 weight  0.10000E+01 volume  0.14007E-02 ppm1     -0.306 ppm2      0.952 CV     1
 ASSI {  219}
   (  segid "    " and resid 61   and name HD2%)
   (  segid "    " and resid 76   and name HG1%)
      2.700     0.900     0.900 peak   219 weight  0.10000E+01 volume  0.48644E-02 ppm1     -0.306 ppm2      1.069 CV     1
 ASSI {  223}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      3.300     1.300     1.300 peak   223 weight  0.10000E+01 volume  0.21942E-02 ppm1      2.658 ppm2      5.124 CV     1
 ASSI {  224}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HA  ))
      2.900     1.000     1.000 peak   224 weight  0.10000E+01 volume  0.15574E-02 ppm1      3.670 ppm2      5.124 CV     1
 ASSI {  225}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 67   and name HB1 ))
      4.300     2.300     1.700 peak   225 weight  0.10000E+01 volume  0.15451E-02 ppm1      2.658 ppm2      3.155 CV     1
 ASSI {  226}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      3.400     1.500     1.500 peak   226 weight  0.10000E+01 volume  0.15309E-02 ppm1      5.117 ppm2      2.803 CV     1
 ASSI {  227}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.700     0.900     0.900 peak   227 weight  0.10000E+01 volume  0.20356E-02 ppm1      5.128 ppm2      2.921 CV     1
 ASSI {  229}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 21   and name HB  ))
      4.000     2.000     2.000 peak   229 weight  0.10000E+01 volume  0.13277E-02 ppm1      1.694 ppm2      1.960 CV     1
 ASSI {  230}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 21   and name HB  ))
      2.800     1.000     1.000 peak   230 weight  0.10000E+01 volume  0.33350E-02 ppm1      1.847 ppm2      1.960 CV     1
 ASSI {  231}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 23   and name HA  ))
      3.000     1.100     1.100 peak   231 weight  0.10000E+01 volume  0.51971E-02 ppm1      1.000 ppm2      4.210 CV     1
 ASSI {  232}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 65   and name HD1%)
      3.300     1.300     1.300 peak   232 weight  0.10000E+01 volume  0.35592E-02 ppm1      3.752 ppm2      0.835 CV     1
 ASSI {  233}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 65   and name HD1%)
      3.400     1.400     1.400 peak   233 weight  0.10000E+01 volume  0.29873E-02 ppm1      1.694 ppm2      0.835 CV     1
 ASSI {  234}
   (( segid "    " and resid 65   and name HB1 ))
   (  segid "    " and resid 65   and name HD1%)
      2.700     0.900     0.900 peak   234 weight  0.10000E+01 volume  0.26631E-02 ppm1      1.435 ppm2      0.835 CV     1
 ASSI {  235}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 65   and name HD2%)
      2.400     0.700     0.700 peak   235 weight  0.10000E+01 volume  0.52818E-02 ppm1      1.694 ppm2      0.999 CV     1
 ASSI {  236}
   (( segid "    " and resid 65   and name HB1 ))
   (  segid "    " and resid 65   and name HD2%)
      3.400     1.400     1.400 peak   236 weight  0.10000E+01 volume  0.40674E-02 ppm1      1.423 ppm2      0.999 CV     1
 ASSI {  241}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.500     0.800     0.800 peak   241 weight  0.10000E+01 volume  0.61374E-02 ppm1      1.835 ppm2      1.702 CV     1
 ASSI {  243}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HG  ))
      2.500     0.800     0.800 peak   243 weight  0.10000E+01 volume  0.46733E-02 ppm1      1.423 ppm2      1.842 CV     1
 ASSI {  244}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 65   and name HG  ))
      2.100     0.600     0.600 peak   244 weight  0.10000E+01 volume  0.12191E-01 ppm1      1.000 ppm2      1.842 CV     1
 ASSI {  245}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HA  ))
      2.400     0.700     0.700 peak   245 weight  0.10000E+01 volume  0.49600E-02 ppm1      1.423 ppm2      3.741 CV     1
 ASSI {  246}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      2.800     1.000     1.000 peak   246 weight  0.10000E+01 volume  0.46373E-02 ppm1      1.694 ppm2      3.741 CV     1
 ASSI {  249}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 63   and name HB1 ))
      2.800     1.000     1.000 peak   249 weight  0.10000E+01 volume  0.19025E-02 ppm1      3.164 ppm2      3.671 CV     1
 ASSI {  250}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 63   and name HB1 ))
      2.900     1.000     1.000 peak   250 weight  0.10000E+01 volume  0.18889E-02 ppm1      2.835 ppm2      3.671 CV     1
 ASSI {  251}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak   251 weight  0.10000E+01 volume  0.30377E-02 ppm1      2.835 ppm2      4.702 CV     1
 ASSI {  252}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HA  ))
      3.000     1.100     1.100 peak   252 weight  0.10000E+01 volume  0.25384E-02 ppm1      3.176 ppm2      4.702 CV     1
 ASSI {  256}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 20   and name HG2%)
      3.800     1.900     1.900 peak   256 weight  0.10000E+01 volume  0.14654E-02 ppm1      0.341 ppm2      0.928 CV     1
 ASSI {  259}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 68   and name HD1%)
      2.400     0.700     0.700 peak   259 weight  0.10000E+01 volume  0.84056E-02 ppm1      0.341 ppm2      0.671 CV     1
 ASSI {  260}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HD1%)
      3.300     1.300     1.300 peak   260 weight  0.10000E+01 volume  0.30443E-02 ppm1      1.576 ppm2      0.694 CV     1
 ASSI {  263}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HG11))
      2.700     0.900     0.900 peak   263 weight  0.10000E+01 volume  0.54173E-02 ppm1      0.329 ppm2      1.421 CV     1
 OR {  263}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HG12))
 ASSI {  264}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HG11))
      2.500     0.800     0.800 peak   264 weight  0.10000E+01 volume  0.56734E-02 ppm1      1.576 ppm2      1.444 CV     1
 OR {  264}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HG12))
 ASSI {  265}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HB  ))
      2.100     0.500     0.500 peak   265 weight  0.10000E+01 volume  0.13841E-01 ppm1      0.329 ppm2      1.561 CV     1
 ASSI {  266}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      2.300     0.700     0.700 peak   266 weight  0.10000E+01 volume  0.82328E-02 ppm1      0.341 ppm2      4.303 CV     1
 ASSI {  270}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 9    and name HD2%)
      2.900     1.100     1.100 peak   270 weight  0.10000E+01 volume  0.29744E-02 ppm1      3.387 ppm2      0.460 CV     1
 ASSI {  271}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 9    and name HG  ))
      3.400     1.400     1.400 peak   271 weight  0.10000E+01 volume  0.14387E-02 ppm1      3.387 ppm2      1.585 CV     1
 ASSI {  272}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.800     1.000     1.000 peak   272 weight  0.10000E+01 volume  0.28573E-02 ppm1      3.387 ppm2      1.960 CV     1
 OR {  272}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  273}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 71   and name HG2%)
      2.600     0.800     0.800 peak   273 weight  0.10000E+01 volume  0.52451E-02 ppm1      3.387 ppm2      0.835 CV     1
 ASSI {  274}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 71   and name HG1%)
      2.900     1.100     1.100 peak   274 weight  0.10000E+01 volume  0.32649E-02 ppm1      3.387 ppm2      0.952 CV     1
 ASSI {  279}
   (( segid "    " and resid 73   and name HE2 ))
   (( segid "    " and resid 73   and name HB2 ))
      2.800     1.000     1.000 peak   279 weight  0.10000E+01 volume  0.75011E-02 ppm1      2.905 ppm2      1.725 CV     1
 OR {  279}
   (( segid "    " and resid 73   and name HE1 ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  279}
   (( segid "    " and resid 73   and name HE2 ))
   (( segid "    " and resid 73   and name HB1 ))
 OR {  279}
   (( segid "    " and resid 73   and name HE1 ))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI {  280}
   (( segid "    " and resid 73   and name HE1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.300     1.300     1.300 peak   280 weight  0.10000E+01 volume  0.23472E-02 ppm1      2.905 ppm2      4.889 CV     1
 ASSI {  281}
   (( segid "    " and resid 73   and name HE1 ))
   (( segid "    " and resid 74   and name HD2 ))
      3.200     1.300     1.300 peak   281 weight  0.10000E+01 volume  0.24512E-02 ppm1      2.905 ppm2      3.460 CV     1
 OR {  281}
   (( segid "    " and resid 73   and name HE1 ))
   (( segid "    " and resid 74   and name HD1 ))
 ASSI {  282}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 8    and name HA  ))
      2.300     0.700     0.700 peak   282 weight  0.10000E+01 volume  0.38223E-02 ppm1      3.740 ppm2      4.210 CV     1
 ASSI {  283}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 73   and name HB1 ))
      3.500     1.500     1.500 peak   283 weight  0.10000E+01 volume  0.20006E-02 ppm1      3.458 ppm2      1.749 CV     1
 OR {  283}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 73   and name HB1 ))
 OR {  283}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  283}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI {  285}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 73   and name HA  ))
      2.600     0.800     0.800 peak   285 weight  0.10000E+01 volume  0.26880E-02 ppm1      3.458 ppm2      4.889 CV     1
 OR {  285}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  289}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HB1 ))
      2.800     0.900     0.900 peak   289 weight  0.10000E+01 volume  0.26032E-02 ppm1      1.741 ppm2      1.163 CV     1
 OR {  289}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HB2 ))
 OR {  289}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HB1 ))
 OR {  289}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  291}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HD1 ))
      2.800     1.000     1.000 peak   291 weight  0.10000E+01 volume  0.20408E-02 ppm1      1.423 ppm2      3.460 CV     1
 OR {  291}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HD2 ))
 OR {  291}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HD1 ))
 OR {  291}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HD2 ))
 ASSI {  292}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
      2.600     0.800     0.800 peak   292 weight  0.10000E+01 volume  0.53565E-02 ppm1      1.647 ppm2      0.952 CV     1
 OR {  292}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  294}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      2.900     1.100     1.100 peak   294 weight  0.10000E+01 volume  0.22425E-02 ppm1      1.647 ppm2      4.889 CV     1
 OR {  294}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  296}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 76   and name HG1%)
      3.700     1.700     1.700 peak   296 weight  0.10000E+01 volume  0.15488E-02 ppm1      1.635 ppm2      1.069 CV     1
 OR {  296}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 76   and name HG1%)
 ASSI {  297}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
      3.900     1.900     1.900 peak   297 weight  0.10000E+01 volume  0.16152E-02 ppm1      1.635 ppm2      1.256 CV     1
 OR {  297}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  299}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 7    and name HB1 ))
      4.400     2.500     1.600 peak   299 weight  0.10000E+01 volume  0.13542E-02 ppm1      1.270 ppm2      2.850 CV     1
 OR {  299}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  301}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 58   and name HD1%)
      2.900     1.100     1.100 peak   301 weight  0.10000E+01 volume  0.59897E-02 ppm1      1.270 ppm2      0.694 CV     1
 ASSI {  302}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 60   and name HD1 ))
      2.400     0.700     0.700 peak   302 weight  0.10000E+01 volume  0.15411E-01 ppm1      1.270 ppm2      1.163 CV     1
 OR {  302}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 60   and name HD2 ))
 ASSI {  303}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 61   and name HD2%)
      2.400     0.700     0.700 peak   303 weight  0.10000E+01 volume  0.36419E-02 ppm1      1.270 ppm2     -0.314 CV     1
 ASSI {  305}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 61   and name HA  ))
      3.000     1.100     1.100 peak   305 weight  0.10000E+01 volume  0.21098E-02 ppm1      5.611 ppm2      4.538 CV     1
 ASSI {  306}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 61   and name HA  ))
      2.600     0.800     0.800 peak   306 weight  0.10000E+01 volume  0.45404E-02 ppm1      1.270 ppm2      4.538 CV     1
 ASSI {  307}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 76   and name HG1%)
      2.400     0.700     0.700 peak   307 weight  0.10000E+01 volume  0.42054E-02 ppm1      2.470 ppm2      1.092 CV     1
 ASSI {  309}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 76   and name HG2%)
      2.400     0.700     0.700 peak   309 weight  0.10000E+01 volume  0.47414E-02 ppm1      2.470 ppm2      1.256 CV     1
 ASSI {  311}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HA  ))
      2.400     0.700     0.700 peak   311 weight  0.10000E+01 volume  0.45164E-02 ppm1      2.470 ppm2      5.616 CV     1
 ASSI {  312}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      2.600     0.800     0.800 peak   312 weight  0.10000E+01 volume  0.43439E-02 ppm1      1.270 ppm2      5.616 CV     1
 ASSI {  313}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 6    and name HA  ))
      2.500     0.800     0.800 peak   313 weight  0.10000E+01 volume  0.44835E-02 ppm1      5.893 ppm2      4.960 CV     1
 ASSI {  314}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.600     0.800     0.800 peak   314 weight  0.10000E+01 volume  0.25677E-02 ppm1      5.881 ppm2      2.288 CV     1
 ASSI {  315}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.100     1.200     1.200 peak   315 weight  0.10000E+01 volume  0.24305E-02 ppm1      5.893 ppm2      2.452 CV     1
 ASSI {  319}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HG11))
      3.400     1.400     1.400 peak   319 weight  0.10000E+01 volume  0.23825E-02 ppm1      2.294 ppm2      0.647 CV     1
 OR {  319}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HG12))
 ASSI {  322}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HG11))
      3.500     1.500     1.500 peak   322 weight  0.10000E+01 volume  0.15023E-02 ppm1      5.881 ppm2      0.671 CV     1
 OR {  322}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HG12))
 ASSI {  323}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 5    and name HG2%)
      3.800     1.800     1.800 peak   323 weight  0.10000E+01 volume  0.15673E-02 ppm1      1.494 ppm2      0.436 CV     1
 OR {  323}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 5    and name HG2%)
 ASSI {  328}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 78   and name HD1%)
      2.400     0.700     0.700 peak   328 weight  0.10000E+01 volume  0.46988E-02 ppm1      1.341 ppm2      0.553 CV     1
 ASSI {  329}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG12))
      1.800     0.400     0.400 peak   329 weight  0.10000E+01 volume  0.24757E-01 ppm1      0.553 ppm2      0.671 CV     1
 OR {  329}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG11))
 ASSI {  330}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG12))
      2.100     0.500     0.500 peak   330 weight  0.10000E+01 volume  0.10670E-01 ppm1      0.459 ppm2      0.671 CV     1
 OR {  330}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG11))
 ASSI {  332}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HB  ))
      2.200     0.600     0.600 peak   332 weight  0.10000E+01 volume  0.66272E-02 ppm1      0.459 ppm2      1.327 CV     1
 ASSI {  335}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HA  ))
      2.900     1.100     1.100 peak   335 weight  0.10000E+01 volume  0.20514E-02 ppm1      1.341 ppm2      4.819 CV     1
 ASSI {  336}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      2.300     0.600     0.600 peak   336 weight  0.10000E+01 volume  0.62769E-02 ppm1      0.459 ppm2      4.819 CV     1
 ASSI {  337}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      3.800     1.800     1.800 peak   337 weight  0.10000E+01 volume  0.15104E-02 ppm1      0.553 ppm2      4.819 CV     1
 ASSI {  338}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
      3.800     1.800     1.800 peak   338 weight  0.10000E+01 volume  0.17856E-02 ppm1      0.459 ppm2      1.983 CV     1
 OR {  338}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HB1 ))
 ASSI {  339}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 80   and name HG2%)
      2.700     0.900     0.900 peak   339 weight  0.10000E+01 volume  0.42213E-02 ppm1      0.459 ppm2      0.999 CV     1
 ASSI {  345}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 80   and name HB  ))
      2.300     0.700     0.700 peak   345 weight  0.10000E+01 volume  0.92810E-02 ppm1      1.000 ppm2      4.139 CV     1
 ASSI {  346}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 80   and name HA  ))
      2.600     0.900     0.900 peak   346 weight  0.10000E+01 volume  0.48764E-02 ppm1      1.000 ppm2      4.936 CV     1
 ASSI {  347}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 83   and name HA  ))
      2.600     0.800     0.800 peak   347 weight  0.10000E+01 volume  0.53217E-02 ppm1      1.564 ppm2      4.303 CV     1
 OR {  347}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  348}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 86   and name HD1%)
      2.500     0.800     0.800 peak   348 weight  0.10000E+01 volume  0.87862E-02 ppm1      1.564 ppm2      0.835 CV     1
 OR {  348}
   (( segid "    " and resid 86   and name HB1 ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI {  349}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HA  ))
      2.800     1.000     1.000 peak   349 weight  0.10000E+01 volume  0.34037E-02 ppm1      1.576 ppm2      4.233 CV     1
 OR {  349}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  360}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 59   and name HD2 ))
      3.100     1.200     1.200 peak   360 weight  0.10000E+01 volume  0.29763E-02 ppm1      0.653 ppm2      1.665 CV     1
 OR {  360}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 59   and name HD1 ))
 OR {  360}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 59   and name HD1 ))
 OR {  360}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 59   and name HD2 ))
 ASSI {  361}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 59   and name HB2 ))
      3.100     1.200     1.200 peak   361 weight  0.10000E+01 volume  0.31449E-02 ppm1      0.653 ppm2      1.428 CV     1
 OR {  361}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  364}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   364 weight  0.10000E+01 volume  0.46577E-02 ppm1      0.653 ppm2      5.884 CV     1
 ASSI {  365}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.900     1.100     1.100 peak   365 weight  0.10000E+01 volume  0.27379E-02 ppm1      1.913 ppm2      2.268 CV     1
 ASSI {  366}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 77   and name HB2 ))
      2.300     0.700     0.700 peak   366 weight  0.10000E+01 volume  0.63805E-02 ppm1      0.653 ppm2      2.246 CV     1
 OR {  366}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  368}
   (( segid "    " and resid 4    and name HB  ))
   (  segid "    " and resid 78   and name HD1%)
      3.800     1.800     1.800 peak   368 weight  0.10000E+01 volume  0.16525E-02 ppm1      1.891 ppm2      0.524 CV     1
 ASSI {  369}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak   369 weight  0.10000E+01 volume  0.42626E-02 ppm1      0.653 ppm2      4.851 CV     1
 OR {  369}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 79   and name HA  ))
 ASSI {  370}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 79   and name HG2 ))
      2.500     0.800     0.800 peak   370 weight  0.10000E+01 volume  0.75854E-02 ppm1      1.913 ppm2      1.794 CV     1
 OR {  370}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 79   and name HG1 ))
 ASSI {  373}
   (  segid "    " and resid 5    and name HG2%)
   (  segid "    " and resid 78   and name HD1%)
      2.100     0.500     0.500 peak   373 weight  0.10000E+01 volume  0.19154E-01 ppm1      0.417 ppm2      0.503 CV     1
 ASSI {  374}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 80   and name HB  ))
      3.400     1.400     1.400 peak   374 weight  0.10000E+01 volume  0.15655E-02 ppm1      0.417 ppm2      4.119 CV     1
 ASSI {  375}
   (  segid "    " and resid 5    and name HG2%)
   (  segid "    " and resid 80   and name HG2%)
      2.500     0.800     0.800 peak   375 weight  0.10000E+01 volume  0.83704E-02 ppm1      0.417 ppm2      0.976 CV     1
 ASSI {  376}
   (( segid "    " and resid 7    and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
      3.400     1.500     1.500 peak   376 weight  0.10000E+01 volume  0.19663E-02 ppm1      2.817 ppm2      0.912 CV     1
 OR {  376}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  378}
   (( segid "    " and resid 8    and name HE2 ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.100     1.100 peak   378 weight  0.10000E+01 volume  0.34274E-02 ppm1      2.892 ppm2      4.894 CV     1
 OR {  378}
   (( segid "    " and resid 8    and name HE1 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  379}
   (( segid "    " and resid 8    and name HE1 ))
   (( segid "    " and resid 74   and name HA  ))
      3.100     1.200     1.200 peak   379 weight  0.10000E+01 volume  0.39592E-02 ppm1      2.903 ppm2      3.731 CV     1
 OR {  379}
   (( segid "    " and resid 8    and name HE2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  382}
   (  segid "    " and resid 12   and name HG2%)
   (  segid "    " and resid 19   and name HG1%)
      3.800     1.800     1.800 peak   382 weight  0.10000E+01 volume  0.18430E-02 ppm1      0.750 ppm2      0.287 CV     1
 ASSI {  383}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 43   and name HB2 ))
      3.400     1.400     1.400 peak   383 weight  0.10000E+01 volume  0.19518E-02 ppm1      0.589 ppm2      3.731 CV     1
 OR {  383}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 43   and name HB1 ))
 ASSI {  387}
   (( segid "    " and resid 18   and name HG2 ))
   (  segid "    " and resid 68   and name HG2%)
      3.500     1.500     1.500 peak   387 weight  0.10000E+01 volume  0.37427E-02 ppm1      1.956 ppm2      0.309 CV     1
 OR {  387}
   (( segid "    " and resid 18   and name HG1 ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  389}
   (  segid "    " and resid 19   and name HG1%)
   (  segid "    " and resid 9    and name HD2%)
      2.600     0.900     0.900 peak   389 weight  0.10000E+01 volume  0.78608E-02 ppm1      0.309 ppm2      0.438 CV     1
 OR {  389}
   (  segid "    " and resid 19   and name HG1%)
   (  segid "    " and resid 9    and name HD1%)
 ASSI {  390}
   (  segid "    " and resid 19   and name HG1%)
   (  segid "    " and resid 12   and name HD1%)
      2.000     0.500     0.500 peak   390 weight  0.10000E+01 volume  0.23089E-01 ppm1      0.298 ppm2      0.546 CV     1
 ASSI {  392}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 41   and name HA  ))
      3.300     1.300     1.300 peak   392 weight  0.10000E+01 volume  0.28843E-02 ppm1      0.298 ppm2      5.260 CV     1
 ASSI {  393}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 41   and name HB  ))
      2.500     0.800     0.800 peak   393 weight  0.10000E+01 volume  0.59452E-02 ppm1      0.298 ppm2      1.708 CV     1
 ASSI {  394}
   (  segid "    " and resid 19   and name HG1%)
   (  segid "    " and resid 41   and name HG1%)
      2.400     0.700     0.700 peak   394 weight  0.10000E+01 volume  0.81797E-02 ppm1      0.298 ppm2      0.675 CV     1
 ASSI {  396}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      4.200     2.200     1.800 peak   396 weight  0.10000E+01 volume  0.19138E-02 ppm1      0.901 ppm2      5.281 CV     1
 ASSI {  399}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 39   and name HB2 ))
      2.900     1.100     1.100 peak   399 weight  0.10000E+01 volume  0.27103E-02 ppm1     -0.079 ppm2      2.526 CV     1
 OR {  399}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 39   and name HB1 ))
 ASSI {  400}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      3.600     1.600     1.600 peak   400 weight  0.10000E+01 volume  0.22569E-02 ppm1     -0.079 ppm2      5.260 CV     1
 ASSI {  402}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      2.600     0.900     0.900 peak   402 weight  0.10000E+01 volume  0.70937E-02 ppm1     -0.079 ppm2      3.731 CV     1
 ASSI {  407}
   (( segid "    " and resid 22   and name HE2 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.200     1.300     1.300 peak   407 weight  0.10000E+01 volume  0.21184E-02 ppm1      2.784 ppm2      1.816 CV     1
 OR {  407}
   (( segid "    " and resid 22   and name HE1 ))
   (( segid "    " and resid 42   and name HB2 ))
 OR {  407}
   (( segid "    " and resid 22   and name HE2 ))
   (( segid "    " and resid 42   and name HB1 ))
 OR {  407}
   (( segid "    " and resid 22   and name HE1 ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI {  409}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      2.600     0.800     0.800 peak   409 weight  0.10000E+01 volume  0.45829E-02 ppm1      1.041 ppm2      4.657 CV     1
 ASSI {  410}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      3.700     1.800     1.800 peak   410 weight  0.10000E+01 volume  0.32815E-02 ppm1      1.041 ppm2      2.397 CV     1
 ASSI {  411}
   (  segid "    " and resid 26   and name HG2%)
   (  segid "    " and resid 58   and name HG2%)
      3.400     1.400     1.400 peak   411 weight  0.10000E+01 volume  0.78443E-02 ppm1      1.041 ppm2      0.567 CV     1
 ASSI {  413}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 61   and name HG  ))
      3.100     1.200     1.200 peak   413 weight  0.10000E+01 volume  0.10353E-01 ppm1      1.041 ppm2      0.675 CV     1
 ASSI {  414}
   (  segid "    " and resid 26   and name HG2%)
   (  segid "    " and resid 61   and name HD2%)
      3.300     1.400     1.400 peak   414 weight  0.10000E+01 volume  0.54151E-02 ppm1      1.041 ppm2     -0.337 CV     1
 ASSI {  417}
   (( segid "    " and resid 28   and name HG2 ))
   (  segid "    " and resid 58   and name HG2%)
      3.200     1.300     1.300 peak   417 weight  0.10000E+01 volume  0.42354E-02 ppm1      1.977 ppm2      0.567 CV     1
 OR {  417}
   (( segid "    " and resid 28   and name HG1 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  418}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak   418 weight  0.10000E+01 volume  0.61520E-02 ppm1      1.977 ppm2      4.313 CV     1
 OR {  418}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  419}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 61   and name HA  ))
      3.700     1.700     1.700 peak   419 weight  0.10000E+01 volume  0.22890E-02 ppm1      1.977 ppm2      4.549 CV     1
 OR {  419}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  420}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 61   and name HG  ))
      3.000     1.100     1.100 peak   420 weight  0.10000E+01 volume  0.39727E-02 ppm1      1.977 ppm2      0.653 CV     1
 OR {  420}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 61   and name HG  ))
 ASSI {  421}
   (( segid "    " and resid 28   and name HG1 ))
   (  segid "    " and resid 61   and name HD2%)
      4.000     2.000     2.000 peak   421 weight  0.10000E+01 volume  0.15650E-02 ppm1      1.977 ppm2     -0.315 CV     1
 OR {  421}
   (( segid "    " and resid 28   and name HG2 ))
   (  segid "    " and resid 61   and name HD2%)
 ASSI {  425}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 36   and name HB1 ))
      2.900     1.100     1.100 peak   425 weight  0.10000E+01 volume  0.26326E-02 ppm1      0.804 ppm2      2.677 CV     1
 OR {  425}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {  426}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.600     1.600     1.600 peak   426 weight  0.10000E+01 volume  0.28204E-02 ppm1      2.182 ppm2      2.655 CV     1
 OR {  426}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI {  427}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 37   and name HA  ))
      2.800     1.000     1.000 peak   427 weight  0.10000E+01 volume  0.24598E-02 ppm1      0.815 ppm2      4.140 CV     1
 ASSI {  428}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 52   and name HB2 ))
      3.200     1.300     1.300 peak   428 weight  0.10000E+01 volume  0.20799E-02 ppm1      0.815 ppm2      3.495 CV     1
 OR {  428}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  429}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 55   and name HA  ))
      3.600     1.700     1.700 peak   429 weight  0.10000E+01 volume  0.25322E-02 ppm1      0.815 ppm2      5.131 CV     1
 ASSI {  430}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 58   and name HA  ))
      4.500     2.500     1.500 peak   430 weight  0.10000E+01 volume  0.15263E-02 ppm1      0.815 ppm2      4.076 CV     1
 ASSI {  431}
   (  segid "    " and resid 32   and name HG1%)
   (  segid "    " and resid 58   and name HD1%)
      1.900     0.400     0.400 peak   431 weight  0.10000E+01 volume  0.16352E-01 ppm1      0.815 ppm2      0.675 CV     1
 ASSI {  432}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 58   and name HD1%)
      3.900     1.900     1.900 peak   432 weight  0.10000E+01 volume  0.19384E-02 ppm1      2.182 ppm2      0.675 CV     1
 ASSI {  433}
   (  segid "    " and resid 32   and name HG1%)
   (  segid "    " and resid 58   and name HG2%)
      3.400     1.500     1.500 peak   433 weight  0.10000E+01 volume  0.63529E-02 ppm1      0.804 ppm2      0.546 CV     1
 ASSI {  434}
   (  segid "    " and resid 32   and name HG1%)
   (  segid "    " and resid 78   and name HG2%)
      3.600     1.600     1.600 peak   434 weight  0.10000E+01 volume  0.28913E-02 ppm1      0.815 ppm2      0.438 CV     1
 ASSI {  435}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 25   and name HB1 ))
      3.100     1.200     1.200 peak   435 weight  0.10000E+01 volume  0.19802E-02 ppm1      2.666 ppm2      2.375 CV     1
 OR {  435}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 25   and name HB1 ))
 OR {  435}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  436}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      3.400     1.400     1.400 peak   436 weight  0.10000E+01 volume  0.16818E-02 ppm1      2.687 ppm2      4.808 CV     1
 OR {  436}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  438}
   (( segid "    " and resid 36   and name HB1 ))
   (  segid "    " and resid 32   and name HG2%)
      3.900     1.900     1.900 peak   438 weight  0.10000E+01 volume  0.22699E-02 ppm1      2.677 ppm2      0.782 CV     1
 OR {  438}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 32   and name HG2%)
 ASSI {  439}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 7    and name HD% )
      3.400     1.400     1.400 peak   439 weight  0.10000E+01 volume  0.15977E-02 ppm1      1.224 ppm2      7.455 CV     1
 ASSI {  440}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 7    and name HB2 ))
      2.800     1.000     1.000 peak   440 weight  0.10000E+01 volume  0.44075E-02 ppm1      0.793 ppm2      3.495 CV     1
 OR {  440}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 7    and name HB1 ))
 ASSI {  441}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 7    and name HB1 ))
      2.900     1.100     1.100 peak   441 weight  0.10000E+01 volume  0.36036E-02 ppm1      1.224 ppm2      2.870 CV     1
 OR {  441}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  442}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 50   and name HG2%)
      2.600     0.800     0.800 peak   442 weight  0.10000E+01 volume  0.62164E-02 ppm1      0.793 ppm2      1.041 CV     1
 ASSI {  444}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 50   and name HG2%)
      2.700     0.900     0.900 peak   444 weight  0.10000E+01 volume  0.24845E-02 ppm1      1.934 ppm2      0.998 CV     1
 ASSI {  446}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 61   and name HD2%)
      2.900     1.100     1.100 peak   446 weight  0.10000E+01 volume  0.19636E-02 ppm1      1.213 ppm2     -0.337 CV     1
 ASSI {  450}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 78   and name HB  ))
      4.000     2.100     2.000 peak   450 weight  0.10000E+01 volume  0.23183E-02 ppm1      1.224 ppm2      1.342 CV     1
 ASSI {  453}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 78   and name HD1%)
      3.000     1.200     1.200 peak   453 weight  0.10000E+01 volume  0.33318E-02 ppm1      1.224 ppm2      0.546 CV     1
 ASSI {  457}
   (  segid "    " and resid 41   and name HG1%)
   (( segid "    " and resid 19   and name HA  ))
      3.800     1.800     1.800 peak   457 weight  0.10000E+01 volume  0.16305E-02 ppm1      0.686 ppm2      4.679 CV     1
 ASSI {  461}
   (  segid "    " and resid 41   and name HG1%)
   (  segid "    " and resid 48   and name HG2%)
      2.700     0.900     0.900 peak   461 weight  0.10000E+01 volume  0.88347E-02 ppm1      0.686 ppm2      0.782 CV     1
 ASSI {  467}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 47   and name HA  ))
      3.800     1.800     1.800 peak   467 weight  0.10000E+01 volume  0.15267E-02 ppm1      1.783 ppm2      5.195 CV     1
 OR {  467}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  474}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 40   and name HA  ))
      3.200     1.300     1.300 peak   474 weight  0.10000E+01 volume  0.33672E-02 ppm1      1.159 ppm2      5.238 CV     1
 ASSI {  475}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 7    and name HE% )
      3.800     1.800     1.800 peak   475 weight  0.10000E+01 volume  0.17887E-02 ppm1      1.008 ppm2      7.326 CV     1
 ASSI {  478}
   (( segid "    " and resid 50   and name HB  ))
   (  segid "    " and resid 38   and name HD1%)
      3.800     1.800     1.800 peak   478 weight  0.10000E+01 volume  0.18423E-02 ppm1      2.354 ppm2      0.782 CV     1
 ASSI {  482}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 37   and name HB1 ))
      3.000     1.100     1.100 peak   482 weight  0.10000E+01 volume  0.40232E-02 ppm1      1.062 ppm2      3.344 CV     1
 OR {  482}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  484}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
      3.300     1.300     1.300 peak   484 weight  0.10000E+01 volume  0.25480E-02 ppm1      2.580 ppm2      5.260 CV     1
 ASSI {  486}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 26   and name HB  ))
      2.500     0.800     0.800 peak   486 weight  0.10000E+01 volume  0.16087E-02 ppm1      0.686 ppm2      2.268 CV     1
 ASSI {  487}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 26   and name HB  ))
      3.500     1.600     1.600 peak   487 weight  0.10000E+01 volume  0.20775E-02 ppm1      0.567 ppm2      2.268 CV     1
 ASSI {  489}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 26   and name HG1%)
      2.000     0.500     0.500 peak   489 weight  0.10000E+01 volume  0.10321E-01 ppm1      0.686 ppm2      1.041 CV     1
 ASSI {  490}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
      3.500     1.500     1.500 peak   490 weight  0.10000E+01 volume  0.18749E-02 ppm1      0.567 ppm2      4.377 CV     1
 ASSI {  492}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 28   and name HA  ))
      2.900     1.100     1.100 peak   492 weight  0.10000E+01 volume  0.22769E-02 ppm1      2.418 ppm2      3.387 CV     1
 ASSI {  495}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 32   and name HG2%)
      4.100     2.100     1.900 peak   495 weight  0.10000E+01 volume  0.18674E-02 ppm1      0.578 ppm2      0.804 CV     1
 ASSI {  496}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 32   and name HG2%)
      2.000     0.500     0.500 peak   496 weight  0.10000E+01 volume  0.10338E-01 ppm1      0.686 ppm2      0.782 CV     1
 ASSI {  498}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 38   and name HG2%)
      2.400     0.700     0.700 peak   498 weight  0.10000E+01 volume  0.85822E-02 ppm1      0.578 ppm2      1.235 CV     1
 ASSI {  499}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
      2.300     0.700     0.700 peak   499 weight  0.10000E+01 volume  0.93677E-02 ppm1      0.686 ppm2      1.235 CV     1
 ASSI {  500}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 38   and name HG2%)
      3.800     1.800     1.800 peak   500 weight  0.10000E+01 volume  0.24413E-02 ppm1      2.408 ppm2      1.235 CV     1
 ASSI {  501}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 61   and name HA  ))
      3.700     1.700     1.700 peak   501 weight  0.10000E+01 volume  0.20566E-02 ppm1      0.567 ppm2      4.528 CV     1
 ASSI {  502}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 61   and name HG  ))
      2.000     0.500     0.500 peak   502 weight  0.10000E+01 volume  0.15385E-01 ppm1      0.567 ppm2      0.653 CV     1
 ASSI {  503}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 61   and name HD2%)
      2.200     0.600     0.600 peak   503 weight  0.10000E+01 volume  0.78138E-02 ppm1      0.567 ppm2     -0.337 CV     1
 ASSI {  504}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      3.500     1.500     1.500 peak   504 weight  0.10000E+01 volume  0.25047E-02 ppm1      0.578 ppm2      4.786 CV     1
 ASSI {  505}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 78   and name HG2%)
      3.100     1.200     1.200 peak   505 weight  0.10000E+01 volume  0.57564E-02 ppm1      0.686 ppm2      0.481 CV     1
 ASSI {  507}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 78   and name HG2%)
      4.000     2.000     2.000 peak   507 weight  0.10000E+01 volume  0.15917E-02 ppm1      2.418 ppm2      0.438 CV     1
 ASSI {  512}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HG1 ))
      2.700     0.900     0.900 peak   512 weight  0.10000E+01 volume  0.29753E-02 ppm1      1.278 ppm2      0.912 CV     1
 OR {  512}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI {  514}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 77   and name HB2 ))
      4.700     2.800     1.300 peak   514 weight  0.10000E+01 volume  0.16147E-02 ppm1      1.278 ppm2      2.246 CV     1
 ASSI {  516}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 38   and name HG2%)
      3.200     1.300     1.300 peak   516 weight  0.10000E+01 volume  0.38506E-02 ppm1      0.664 ppm2      1.256 CV     1
 ASSI {  523}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      3.400     1.400     1.400 peak   523 weight  0.10000E+01 volume  0.41364E-02 ppm1      0.330 ppm2      4.958 CV     1
 ASSI {  525}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 18   and name HB2 ))
      2.400     0.700     0.700 peak   525 weight  0.10000E+01 volume  0.57726E-02 ppm1      0.330 ppm2      1.816 CV     1
 OR {  525}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 18   and name HB1 ))
 ASSI {  526}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
      3.100     1.200     1.200 peak   526 weight  0.10000E+01 volume  0.18073E-02 ppm1      0.686 ppm2      4.679 CV     1
 ASSI {  527}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 20   and name HA  ))
      2.900     1.100     1.100 peak   527 weight  0.10000E+01 volume  0.31495E-02 ppm1      0.330 ppm2      4.829 CV     1
 ASSI {  528}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 20   and name HA  ))
      2.600     0.900     0.900 peak   528 weight  0.10000E+01 volume  0.57709E-02 ppm1      0.675 ppm2      4.808 CV     1
 ASSI {  531}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 6    and name HG1 ))
      3.300     1.300     1.300 peak   531 weight  0.10000E+01 volume  0.22723E-02 ppm1      1.730 ppm2      2.418 CV     1
 OR {  531}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 6    and name HG1 ))
 OR {  531}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  532}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 6    and name HB1 ))
      2.600     0.900     0.900 peak   532 weight  0.10000E+01 volume  0.30751E-02 ppm1      0.309 ppm2      1.407 CV     1
 OR {  532}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 6    and name HB1 ))
 ASSI {  533}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 8    and name HE2 ))
      2.600     0.800     0.800 peak   533 weight  0.10000E+01 volume  0.50612E-02 ppm1      1.730 ppm2      2.892 CV     1
 OR {  533}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 8    and name HE1 ))
 OR {  533}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 8    and name HE2 ))
 ASSI {  539}
   (  segid "    " and resid 76   and name HG1%)
   (  segid "    " and resid 7    and name HD% )
      3.000     1.100     1.100 peak   539 weight  0.10000E+01 volume  0.17124E-02 ppm1      1.073 ppm2      7.455 CV     1
 ASSI {  540}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 7    and name HB1 ))
      2.300     0.700     0.700 peak   540 weight  0.10000E+01 volume  0.49243E-02 ppm1      1.073 ppm2      3.473 CV     1
 OR {  540}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  544}
   (  segid "    " and resid 76   and name HG1%)
   (  segid "    " and resid 38   and name HG2%)
      2.100     0.600     0.600 peak   544 weight  0.10000E+01 volume  0.10269E-01 ppm1      1.073 ppm2      1.213 CV     1
 ASSI {  545}
   (  segid "    " and resid 76   and name HG1%)
   (  segid "    " and resid 38   and name HD1%)
      2.500     0.800     0.800 peak   545 weight  0.10000E+01 volume  0.93474E-02 ppm1      1.073 ppm2      0.782 CV     1
 ASSI {  546}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 61   and name HG  ))
      3.400     1.400     1.400 peak   546 weight  0.10000E+01 volume  0.19225E-02 ppm1      2.461 ppm2      0.675 CV     1
 ASSI {  553}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 5    and name HG2%)
      2.500     0.800     0.800 peak   553 weight  0.10000E+01 volume  0.61544E-02 ppm1      1.331 ppm2      0.417 CV     1
 ASSI {  554}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 7    and name HB1 ))
      3.100     1.200     1.200 peak   554 weight  0.10000E+01 volume  0.20178E-02 ppm1      0.546 ppm2      3.473 CV     1
 OR {  554}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  557}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 38   and name HD1%)
      2.700     0.900     0.900 peak   557 weight  0.10000E+01 volume  0.23705E-02 ppm1      0.460 ppm2      0.804 CV     1
 ASSI {  558}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 38   and name HD1%)
      2.500     0.800     0.800 peak   558 weight  0.10000E+01 volume  0.58680E-02 ppm1      0.535 ppm2      0.782 CV     1
 ASSI {  559}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 56   and name HA1 ))
      2.500     0.800     0.800 peak   559 weight  0.10000E+01 volume  0.47952E-02 ppm1      0.449 ppm2      3.990 CV     1
 OR {  559}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 56   and name HA2 ))
 ASSI {  561}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 5    and name HG2%)
      3.900     1.900     1.900 peak   561 weight  0.10000E+01 volume  0.18060E-02 ppm1      1.794 ppm2      0.417 CV     1
 OR {  561}
   (( segid "    " and resid 79   and name HG1 ))
   (  segid "    " and resid 5    and name HG2%)
 ASSI {  563}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 56   and name HA1 ))
      3.000     1.100     1.100 peak   563 weight  0.10000E+01 volume  0.19214E-02 ppm1      0.987 ppm2      4.011 CV     1
 OR {  563}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 56   and name HA2 ))
 ASSI {   22}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak    22 weight  0.10000E+01 volume  0.21174E-02 ppm1      3.458 ppm2      3.764 CV     1
 OR {   22}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {   37}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 55   and name HB2 ))
      4.100     2.100     1.900 peak    37 weight  0.10000E+01 volume  0.55996E-03 ppm1      2.905 ppm2      2.616 CV     1
 ASSI {   51}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 64   and name HD21))
      3.300     1.400     1.400 peak    51 weight  0.10000E+01 volume  0.75591E-03 ppm1      2.941 ppm2      6.952 CV     1
 OR {   51}
   (( segid "    " and resid 27   and name HE1 ))
   (( segid "    " and resid 64   and name HD21))
 ASSI {   66}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 87   and name HG2 ))
      3.400     1.400     1.400 peak    66 weight  0.10000E+01 volume  0.70006E-03 ppm1      1.564 ppm2      2.171 CV     1
 OR {   66}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 87   and name HG2 ))
 OR {   66}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 87   and name HG1 ))
 OR {   66}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 87   and name HG1 ))
 ASSI {   81}
   (( segid "    " and resid 8    and name HE2 ))
   (( segid "    " and resid 74   and name HD1 ))
      2.900     1.000     1.000 peak    81 weight  0.10000E+01 volume  0.10120E-02 ppm1      2.941 ppm2      3.483 CV     1
 OR {   81}
   (( segid "    " and resid 8    and name HE2 ))
   (( segid "    " and resid 74   and name HD2 ))
 OR {   81}
   (( segid "    " and resid 8    and name HE1 ))
   (( segid "    " and resid 74   and name HD2 ))
 ASSI {  106}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HB2 ))
      1.700     0.300     0.500 peak   106 weight  0.10000E+01 volume  0.78529E-02 ppm1      1.423 ppm2      1.702 CV     1
 ASSI {  110}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 45   and name HE2 ))
      3.200     1.300     1.300 peak   110 weight  0.10000E+01 volume  0.68646E-03 ppm1      2.541 ppm2      2.967 CV     1
 OR {  110}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 45   and name HE1 ))
 OR {  110}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 45   and name HE2 ))
 OR {  110}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 45   and name HE1 ))
 ASSI {  124}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HB1 ))
      1.400     0.200     0.800 peak   124 weight  0.10000E+01 volume  0.24270E-01 ppm1      2.929 ppm2      2.780 CV     1
 ASSI {  125}
   (( segid "    " and resid 64   and name HB2 ))
   (  segid "    " and resid 65   and name HD1%)
      4.300     2.300     1.700 peak   125 weight  0.10000E+01 volume  0.65622E-03 ppm1      2.952 ppm2      0.835 CV     1
 ASSI {  143}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 26   and name HB  ))
      3.100     1.200     1.200 peak   143 weight  0.10000E+01 volume  0.62088E-03 ppm1      2.693 ppm2      2.311 CV     1
 OR {  143}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  145}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.500     0.800     0.800 peak   145 weight  0.10000E+01 volume  0.29124E-02 ppm1      2.693 ppm2      4.678 CV     1
 OR {  145}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  150}
   (( segid "    " and resid 64   and name HB1 ))
   (  segid "    " and resid 65   and name HD1%)
      4.700     2.800     1.300 peak   150 weight  0.10000E+01 volume  0.62047E-03 ppm1      2.776 ppm2      0.858 CV     1
 ASSI {  153}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 24   and name HB1 ))
      3.800     1.800     1.800 peak   153 weight  0.10000E+01 volume  0.82031E-03 ppm1      2.776 ppm2      3.085 CV     1
 ASSI {  154}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 65   and name HB2 ))
      3.400     1.500     1.500 peak   154 weight  0.10000E+01 volume  0.10621E-02 ppm1      2.788 ppm2      1.678 CV     1
 ASSI {  156}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 21   and name HB  ))
      3.800     1.800     1.800 peak   156 weight  0.10000E+01 volume  0.67190E-03 ppm1      2.941 ppm2      1.983 CV     1
 ASSI {  163}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      2.700     0.900     0.900 peak   163 weight  0.10000E+01 volume  0.24326E-02 ppm1      2.529 ppm2      4.303 CV     1
 OR {  163}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  175}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 70   and name HA  ))
      2.900     1.100     1.100 peak   175 weight  0.10000E+01 volume  0.11762E-02 ppm1      2.435 ppm2      4.936 CV     1
 ASSI {  177}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 70   and name HB2 ))
      1.900     0.400     0.400 peak   177 weight  0.10000E+01 volume  0.49027E-02 ppm1      2.446 ppm2      3.108 CV     1
 ASSI {  181}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
      2.500     0.800     0.800 peak   181 weight  0.10000E+01 volume  0.38833E-02 ppm1      2.658 ppm2      4.303 CV     1
 OR {  181}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  187}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HA  ))
      2.700     0.900     0.900 peak   187 weight  0.10000E+01 volume  0.16673E-02 ppm1      3.129 ppm2      4.936 CV     1
 ASSI {  199}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HA  ))
      3.000     1.100     1.100 peak   199 weight  0.10000E+01 volume  0.60629E-03 ppm1      1.929 ppm2      4.678 CV     1
 ASSI {  200}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 38   and name HD1%)
      2.900     1.000     1.000 peak   200 weight  0.10000E+01 volume  0.10032E-02 ppm1      1.941 ppm2      0.788 CV     1
 ASSI {  205}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak   205 weight  0.10000E+01 volume  0.22664E-02 ppm1      2.811 ppm2      4.116 CV     1
 OR {  205}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI {  207}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 67   and name HB2 ))
      3.600     1.600     1.600 peak   207 weight  0.10000E+01 volume  0.74988E-03 ppm1      2.823 ppm2      3.131 CV     1
 OR {  207}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  221}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      2.800     0.900     0.900 peak   221 weight  0.10000E+01 volume  0.10775E-02 ppm1      2.846 ppm2      5.030 CV     1
 OR {  221}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  249}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
      3.000     1.100     1.100 peak   249 weight  0.10000E+01 volume  0.11668E-02 ppm1      2.399 ppm2      4.819 CV     1
 OR {  249}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  269}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.800     1.800     1.800 peak   269 weight  0.10000E+01 volume  0.75214E-03 ppm1      1.588 ppm2      1.842 CV     1
 OR {  269}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI {  273}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
      3.100     1.200     1.200 peak   273 weight  0.10000E+01 volume  0.95366E-03 ppm1      2.399 ppm2      3.811 CV     1
 ASSI {  275}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HB1 ))
      2.100     0.500     0.500 peak   275 weight  0.10000E+01 volume  0.28262E-02 ppm1      2.670 ppm2      2.381 CV     1
 ASSI {  277}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.100     1.100 peak   277 weight  0.10000E+01 volume  0.94264E-03 ppm1      2.670 ppm2      3.811 CV     1
 ASSI {  319}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 62   and name HB2 ))
      3.900     1.900     1.900 peak   319 weight  0.10000E+01 volume  0.58472E-03 ppm1      1.670 ppm2      2.616 CV     1
 ASSI {  324}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HB2 ))
      2.100     0.500     0.500 peak   324 weight  0.10000E+01 volume  0.21748E-02 ppm1      1.294 ppm2      1.702 CV     1
 ASSI {  350}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 26   and name HB  ))
      4.300     2.300     1.700 peak   350 weight  0.10000E+01 volume  0.10485E-02 ppm1      2.141 ppm2      2.288 CV     1
 ASSI {  354}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 80   and name HG2%)
      3.200     1.300     1.300 peak   354 weight  0.10000E+01 volume  0.94990E-03 ppm1      2.199 ppm2      1.022 CV     1
 ASSI {  355}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 32   and name HA  ))
      2.500     0.800     0.800 peak   355 weight  0.10000E+01 volume  0.30797E-02 ppm1      2.199 ppm2      4.842 CV     1
 ASSI {  364}
   (( segid "    " and resid 57   and name HB  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.300     0.600     0.600 peak   364 weight  0.10000E+01 volume  0.46052E-02 ppm1      1.811 ppm2      1.678 CV     1
 OR {  364}
   (( segid "    " and resid 57   and name HB  ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI {  368}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HB1 ))
      2.300     0.600     0.600 peak   368 weight  0.10000E+01 volume  0.44196E-02 ppm1      1.941 ppm2      1.819 CV     1
 OR {  368}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  368}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  368}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI {  371}
   (( segid "    " and resid 18   and name HG2 ))
   (  segid "    " and resid 9    and name HD2%)
      3.600     1.600     1.600 peak   371 weight  0.10000E+01 volume  0.57595E-03 ppm1      1.976 ppm2      0.483 CV     1
 OR {  371}
   (( segid "    " and resid 18   and name HG1 ))
   (  segid "    " and resid 9    and name HD2%)
 ASSI {  374}
   (( segid "    " and resid 87   and name HG2 ))
   (  segid "    " and resid 86   and name HD1%)
      2.500     0.800     0.800 peak   374 weight  0.10000E+01 volume  0.25557E-02 ppm1      2.188 ppm2      0.811 CV     1
 OR {  374}
   (( segid "    " and resid 87   and name HG1 ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI {  378}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HA  ))
      2.800     1.000     1.000 peak   378 weight  0.10000E+01 volume  0.28689E-02 ppm1      2.199 ppm2      4.069 CV     1
 OR {  378}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  381}
   (( segid "    " and resid 81   and name HG2 ))
   (( segid "    " and resid 81   and name HB1 ))
      2.600     0.900     0.900 peak   381 weight  0.10000E+01 volume  0.21010E-02 ppm1      2.247 ppm2      1.866 CV     1
 OR {  381}
   (( segid "    " and resid 81   and name HG1 ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  381}
   (( segid "    " and resid 81   and name HG2 ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  381}
   (( segid "    " and resid 81   and name HG1 ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI {  383}
   (( segid "    " and resid 81   and name HG2 ))
   (( segid "    " and resid 81   and name HA  ))
      3.100     1.200     1.200 peak   383 weight  0.10000E+01 volume  0.83626E-03 ppm1      2.247 ppm2      4.444 CV     1
 OR {  383}
   (( segid "    " and resid 81   and name HG1 ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  393}
   (( segid "    " and resid 57   and name HB  ))
   (( segid "    " and resid 57   and name HA  ))
      2.900     1.000     1.000 peak   393 weight  0.10000E+01 volume  0.98984E-03 ppm1      1.788 ppm2      4.796 CV     1
 ASSI {  415}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 50   and name HG12))
      3.200     1.300     1.300 peak   415 weight  0.10000E+01 volume  0.70025E-03 ppm1      1.800 ppm2      1.561 CV     1
 OR {  415}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 50   and name HG11))
 ASSI {  418}
   (( segid "    " and resid 6    and name HG2 ))
   (  segid "    " and resid 78   and name HD1%)
      3.000     1.100     1.100 peak   418 weight  0.10000E+01 volume  0.29333E-02 ppm1      2.423 ppm2      0.577 CV     1
 OR {  418}
   (( segid "    " and resid 6    and name HG1 ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  419}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 78   and name HG11))
      3.500     1.500     1.500 peak   419 weight  0.10000E+01 volume  0.11863E-02 ppm1      2.423 ppm2      0.694 CV     1
 OR {  419}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 78   and name HG11))
 OR {  419}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 78   and name HG12))
 OR {  419}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 78   and name HG12))
 ASSI {  440}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.600     0.800     0.800 peak   440 weight  0.10000E+01 volume  0.17776E-02 ppm1      2.411 ppm2      1.444 CV     1
 OR {  440}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  442}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HD2 ))
      3.400     1.500     1.500 peak   442 weight  0.10000E+01 volume  0.56556E-03 ppm1      1.129 ppm2      0.764 CV     1
 OR {  442}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HD1 ))
 OR {  442}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HD1 ))
 OR {  442}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HD2 ))
 ASSI {  444}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      2.800     1.000     1.000 peak   444 weight  0.10000E+01 volume  0.12925E-02 ppm1      1.658 ppm2      4.350 CV     1
 OR {  444}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  455}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
      4.000     2.000     2.000 peak   455 weight  0.10000E+01 volume  0.59064E-03 ppm1      1.070 ppm2      0.928 CV     1
 OR {  455}
   (( segid "    " and resid 8    and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
 OR {  455}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  456}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 53   and name HB2 ))
      3.800     1.800     1.800 peak   456 weight  0.10000E+01 volume  0.62374E-03 ppm1      1.070 ppm2      1.210 CV     1
 OR {  456}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 53   and name HB1 ))
 OR {  456}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  456}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI {  458}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 74   and name HG1 ))
      2.500     0.800     0.800 peak   458 weight  0.10000E+01 volume  0.31347E-02 ppm1      1.070 ppm2      1.772 CV     1
 OR {  458}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 74   and name HG1 ))
 OR {  458}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI {  460}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 75   and name HB1 ))
      4.000     2.000     2.000 peak   460 weight  0.10000E+01 volume  0.57999E-03 ppm1      1.082 ppm2      1.655 CV     1
 OR {  460}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 75   and name HB1 ))
 OR {  460}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  469}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HB1 ))
      1.800     0.400     0.400 peak   469 weight  0.10000E+01 volume  0.55107E-02 ppm1      1.364 ppm2      1.585 CV     1
 ASSI {  470}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak   470 weight  0.10000E+01 volume  0.14915E-02 ppm1      1.364 ppm2      4.374 CV     1
 ASSI {  472}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HB1 ))
      1.800     0.400     0.400 peak   472 weight  0.10000E+01 volume  0.30009E-02 ppm1      1.458 ppm2      1.889 CV     1
 ASSI {  473}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HD2 ))
      3.400     1.500     1.500 peak   473 weight  0.10000E+01 volume  0.23438E-02 ppm1      1.470 ppm2      1.116 CV     1
 OR {  473}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HD1 ))
 ASSI {  476}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
      3.000     1.100     1.100 peak   476 weight  0.10000E+01 volume  0.10997E-02 ppm1      1.600 ppm2      4.374 CV     1
 ASSI {  482}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HD1 ))
      2.000     0.500     0.500 peak   482 weight  0.10000E+01 volume  0.85337E-02 ppm1      1.870 ppm2      1.655 CV     1
 OR {  482}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI {  502}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
      3.200     1.300     1.300 peak   502 weight  0.10000E+01 volume  0.17080E-02 ppm1      1.764 ppm2      4.233 CV     1
 ASSI {  513}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HA  ))
      3.000     1.100     1.100 peak   513 weight  0.10000E+01 volume  0.82985E-03 ppm1      1.741 ppm2      5.241 CV     1
 ASSI {  514}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HG1 ))
      2.400     0.700     0.700 peak   514 weight  0.10000E+01 volume  0.30289E-02 ppm1      1.776 ppm2      1.631 CV     1
 OR {  514}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  514}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  514}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {  515}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   515 weight  0.10000E+01 volume  0.12121E-02 ppm1      1.847 ppm2      5.006 CV     1
 OR {  515}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  520}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      2.900     1.000     1.000 peak   520 weight  0.10000E+01 volume  0.11990E-02 ppm1      1.800 ppm2      4.491 CV     1
 OR {  520}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  524}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.800     1.000     1.000 peak   524 weight  0.10000E+01 volume  0.13804E-02 ppm1      1.917 ppm2      2.288 CV     1
 ASSI {  536}
   (( segid "    " and resid 71   and name HB  ))
   (( segid "    " and resid 72   and name HA1 ))
      3.700     1.700     1.700 peak   536 weight  0.10000E+01 volume  0.69133E-03 ppm1      1.917 ppm2      3.717 CV     1
 OR {  536}
   (( segid "    " and resid 71   and name HB  ))
   (( segid "    " and resid 72   and name HA2 ))
 ASSI {  542}
   (( segid "    " and resid 81   and name HB1 ))
   (  segid "    " and resid 83   and name HD2%)
      2.500     0.800     0.800 peak   542 weight  0.10000E+01 volume  0.32836E-02 ppm1      1.905 ppm2      0.671 CV     1
 OR {  542}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI {  555}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HB1 ))
      2.300     0.700     0.700 peak   555 weight  0.10000E+01 volume  0.14132E-02 ppm1      3.670 ppm2      3.108 CV     1
 ASSI {  558}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HA  ))
      2.700     0.900     0.900 peak   558 weight  0.10000E+01 volume  0.88409E-03 ppm1      1.976 ppm2      3.460 CV     1
 ASSI {  565}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.800     1.000     1.000 peak   565 weight  0.10000E+01 volume  0.84227E-03 ppm1      0.306 ppm2      1.421 CV     1
 OR {  565}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  568}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak   568 weight  0.10000E+01 volume  0.90965E-03 ppm1      0.317 ppm2      3.741 CV     1
 OR {  568}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  570}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 83   and name HD1%)
      2.800     1.000     1.000 peak   570 weight  0.10000E+01 volume  0.21449E-02 ppm1      1.176 ppm2      0.296 CV     1
 OR {  570}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 83   and name HD1%)
 ASSI {  582}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HD1 ))
      3.300     1.300     1.300 peak   582 weight  0.10000E+01 volume  0.64748E-03 ppm1      1.200 ppm2      3.085 CV     1
 OR {  582}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HD1 ))
 OR {  582}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HD2 ))
 OR {  582}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HD2 ))
 ASSI {  583}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      2.800     1.000     1.000 peak   583 weight  0.10000E+01 volume  0.11946E-02 ppm1      1.200 ppm2      4.210 CV     1
 OR {  583}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  588}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   588 weight  0.10000E+01 volume  0.71620E-03 ppm1      1.964 ppm2      3.741 CV     1
 ASSI {  600}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
      3.700     1.700     1.700 peak   600 weight  0.10000E+01 volume  0.54500E-03 ppm1      1.882 ppm2      4.256 CV     1
 OR {  600}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  621}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
      2.500     0.800     0.800 peak   621 weight  0.10000E+01 volume  0.23478E-02 ppm1      2.541 ppm2      4.889 CV     1
 OR {  621}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  663}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 78   and name HA  ))
      3.000     1.200     1.200 peak   663 weight  0.10000E+01 volume  0.63971E-03 ppm1      0.670 ppm2      4.819 CV     1
 OR {  663}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  697}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 6    and name HB1 ))
      3.400     1.400     1.400 peak   697 weight  0.10000E+01 volume  0.63280E-03 ppm1      1.729 ppm2      2.100 CV     1
 OR {  697}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 6    and name HB1 ))
 ASSI {  698}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 8    and name HE2 ))
      2.700     0.900     0.900 peak   698 weight  0.10000E+01 volume  0.16974E-02 ppm1      1.729 ppm2      2.897 CV     1
 OR {  698}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 8    and name HE1 ))
 OR {  698}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 8    and name HE2 ))
 OR {  698}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 8    and name HE1 ))
 ASSI {  700}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 73   and name HA  ))
      4.000     2.000     2.000 peak   700 weight  0.10000E+01 volume  0.11671E-02 ppm1      1.741 ppm2      4.889 CV     1
 OR {  700}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  707}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 83   and name HD2%)
      2.800     1.000     1.000 peak   707 weight  0.10000E+01 volume  0.15518E-02 ppm1      1.435 ppm2      0.694 CV     1
 OR {  707}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI {  711}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.800     1.000     1.000 peak   711 weight  0.10000E+01 volume  0.36241E-02 ppm1      1.741 ppm2      1.421 CV     1
 OR {  711}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  712}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak   712 weight  0.10000E+01 volume  0.18024E-02 ppm1      1.741 ppm2      3.764 CV     1
 OR {  712}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  715}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 60   and name HD1 ))
      3.700     1.700     1.700 peak   715 weight  0.10000E+01 volume  0.69863E-03 ppm1      0.670 ppm2      1.116 CV     1
 OR {  715}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 60   and name HD2 ))
 ASSI {  721}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 38   and name HD1%)
      2.700     0.900     0.900 peak   721 weight  0.10000E+01 volume  0.77391E-03 ppm1      1.129 ppm2      0.811 CV     1
 OR {  721}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 38   and name HD1%)
 ASSI {  722}
   (( segid "    " and resid 83   and name HG  ))
   (( segid "    " and resid 83   and name HB1 ))
      2.200     0.600     0.600 peak   722 weight  0.10000E+01 volume  0.59507E-02 ppm1      1.129 ppm2      1.421 CV     1
 OR {  722}
   (( segid "    " and resid 83   and name HG  ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI {  725}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 83   and name HD1%)
      2.800     1.000     1.000 peak   725 weight  0.10000E+01 volume  0.16344E-02 ppm1      1.423 ppm2      0.319 CV     1
 OR {  725}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 83   and name HD1%)
 ASSI {  730}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 80   and name HG2%)
      3.200     1.300     1.300 peak   730 weight  0.10000E+01 volume  0.67335E-03 ppm1      1.447 ppm2      1.022 CV     1
 OR {  730}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 80   and name HG2%)
 ASSI {  744}
   (( segid "    " and resid 16   and name HG11))
   (( segid "    " and resid 16   and name HA  ))
      3.300     1.400     1.400 peak   744 weight  0.10000E+01 volume  0.99977E-03 ppm1      1.329 ppm2      4.046 CV     1
 OR {  744}
   (( segid "    " and resid 16   and name HG12))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  751}
   (( segid "    " and resid 16   and name HG11))
   (( segid "    " and resid 16   and name HB  ))
      2.700     0.900     0.900 peak   751 weight  0.10000E+01 volume  0.15347E-02 ppm1      1.341 ppm2      1.772 CV     1
 OR {  751}
   (( segid "    " and resid 16   and name HG12))
   (( segid "    " and resid 16   and name HB  ))
 ASSI {  752}
   (( segid "    " and resid 16   and name HG11))
   (( segid "    " and resid 18   and name HG1 ))
      3.300     1.300     1.300 peak   752 weight  0.10000E+01 volume  0.96999E-03 ppm1      1.341 ppm2      1.960 CV     1
 OR {  752}
   (( segid "    " and resid 16   and name HG12))
   (( segid "    " and resid 18   and name HG1 ))
 OR {  752}
   (( segid "    " and resid 16   and name HG11))
   (( segid "    " and resid 18   and name HG2 ))
 OR {  752}
   (( segid "    " and resid 16   and name HG12))
   (( segid "    " and resid 18   and name HG2 ))
 ASSI {  754}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HA  ))
      3.600     1.600     1.600 peak   754 weight  0.10000E+01 volume  0.62001E-03 ppm1      1.447 ppm2      4.233 CV     1
 OR {  754}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  758}
   (( segid "    " and resid 9    and name HG  ))
   (( segid "    " and resid 9    and name HA  ))
      3.600     1.600     1.600 peak   758 weight  0.10000E+01 volume  0.56512E-03 ppm1      1.576 ppm2      4.116 CV     1
 ASSI {  759}
   (( segid "    " and resid 9    and name HG  ))
   (  segid "    " and resid 12   and name HD1%)
      3.400     1.500     1.500 peak   759 weight  0.10000E+01 volume  0.80265E-03 ppm1      1.588 ppm2      0.577 CV     1
 ASSI {  762}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 60   and name HE2 ))
      2.700     0.900     0.900 peak   762 weight  0.10000E+01 volume  0.21070E-02 ppm1      1.694 ppm2      2.030 CV     1
 OR {  762}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 60   and name HE1 ))
 OR {  762}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 60   and name HE2 ))
 ASSI {  771}
   (( segid "    " and resid 12   and name HG12))
   (  segid "    " and resid 16   and name HD1%)
      2.200     0.600     0.600 peak   771 weight  0.10000E+01 volume  0.49663E-02 ppm1      1.035 ppm2      0.717 CV     1
 OR {  771}
   (( segid "    " and resid 12   and name HG11))
   (  segid "    " and resid 16   and name HD1%)
 ASSI {  772}
   (( segid "    " and resid 12   and name HG11))
   (  segid "    " and resid 9    and name HD1%)
      3.100     1.200     1.200 peak   772 weight  0.10000E+01 volume  0.22261E-02 ppm1      1.035 ppm2      0.835 CV     1
 OR {  772}
   (( segid "    " and resid 12   and name HG12))
   (  segid "    " and resid 9    and name HD1%)
 ASSI {  774}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 16   and name HG11))
      2.600     0.800     0.800 peak   774 weight  0.10000E+01 volume  0.47156E-02 ppm1      1.035 ppm2      1.327 CV     1
 OR {  774}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 16   and name HG12))
 OR {  774}
   (( segid "    " and resid 12   and name HG11))
   (( segid "    " and resid 16   and name HG12))
 OR {  774}
   (( segid "    " and resid 12   and name HG11))
   (( segid "    " and resid 16   and name HG11))
 ASSI {  786}
   (( segid "    " and resid 9    and name HG  ))
   (  segid "    " and resid 9    and name HD1%)
      2.300     0.700     0.700 peak   786 weight  0.10000E+01 volume  0.32667E-02 ppm1      1.564 ppm2      0.811 CV     1
 ASSI {  787}
   (( segid "    " and resid 9    and name HG  ))
   (  segid "    " and resid 75   and name HD2%)
      3.300     1.400     1.400 peak   787 weight  0.10000E+01 volume  0.11921E-02 ppm1      1.564 ppm2      0.928 CV     1
 OR {  787}
   (( segid "    " and resid 9    and name HG  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  790}
   (( segid "    " and resid 9    and name HG  ))
   (  segid "    " and resid 9    and name HD2%)
      2.600     0.800     0.800 peak   790 weight  0.10000E+01 volume  0.19706E-02 ppm1      1.611 ppm2      0.460 CV     1
 ASSI {  793}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HB2 ))
      2.600     0.800     0.800 peak   793 weight  0.10000E+01 volume  0.16303E-02 ppm1      1.670 ppm2      1.421 CV     1
 OR {  793}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  794}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HE1 ))
      3.100     1.200     1.200 peak   794 weight  0.10000E+01 volume  0.66425E-03 ppm1      1.670 ppm2      2.780 CV     1
 OR {  794}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HE2 ))
 OR {  794}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HE2 ))
 OR {  794}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HE1 ))
 ASSI {  795}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HA  ))
      3.600     1.600     1.600 peak   795 weight  0.10000E+01 volume  0.12434E-02 ppm1      1.670 ppm2      4.585 CV     1
 OR {  795}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI {  820}
   (( segid "    " and resid 65   and name HG  ))
   (  segid "    " and resid 65   and name HD1%)
      2.600     0.800     0.800 peak   820 weight  0.10000E+01 volume  0.15357E-02 ppm1      1.835 ppm2      0.835 CV     1
 ASSI {  857}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 9    and name HA  ))
      3.100     1.200     1.200 peak   857 weight  0.10000E+01 volume  0.84853E-03 ppm1      0.941 ppm2      4.116 CV     1
 OR {  857}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  860}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 63   and name HB2 ))
      3.000     1.100     1.100 peak   860 weight  0.10000E+01 volume  0.60710E-03 ppm1      0.976 ppm2      2.639 CV     1
 OR {  860}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  895}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
      2.600     0.800     0.800 peak   895 weight  0.10000E+01 volume  0.20639E-02 ppm1      0.941 ppm2      1.631 CV     1
 OR {  895}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB1 ))
 OR {  895}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
 OR {  895}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  896}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 9    and name HB2 ))
      2.200     0.600     0.600 peak   896 weight  0.10000E+01 volume  0.40390E-02 ppm1      0.941 ppm2      1.960 CV     1
 OR {  896}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  897}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.400     1.400     1.400 peak   897 weight  0.10000E+01 volume  0.15873E-02 ppm1      0.941 ppm2      4.889 CV     1
 OR {  897}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  900}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 7    and name HE% )
      2.900     1.100     1.100 peak   900 weight  0.10000E+01 volume  0.10696E-02 ppm1      0.941 ppm2      7.397 CV     1
 OR {  900}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 7    and name HD% )
 OR {  900}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 7    and name HD% )
 ASSI {  901}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 24   and name HH2 ))
      3.000     1.200     1.200 peak   901 weight  0.10000E+01 volume  0.85885E-03 ppm1      0.941 ppm2      7.491 CV     1
 OR {  901}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 24   and name HH2 ))
 ASSI {  905}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 65   and name HA  ))
      3.600     1.600     1.600 peak   905 weight  0.10000E+01 volume  0.12244E-02 ppm1      1.000 ppm2      3.741 CV     1
 ASSI {  908}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 26   and name HB  ))
      3.900     1.900     1.900 peak   908 weight  0.10000E+01 volume  0.62407E-03 ppm1      1.258 ppm2      2.311 CV     1
 OR {  908}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  941}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 69   and name HB% )
      3.000     1.100     1.100 peak   941 weight  0.10000E+01 volume  0.10169E-02 ppm1      0.953 ppm2      0.155 CV     1
 OR {  941}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 69   and name HB% )
 ASSI {  942}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 7    and name HZ  ))
      3.500     1.500     1.500 peak   942 weight  0.10000E+01 volume  0.67016E-03 ppm1      0.964 ppm2      7.631 CV     1
 OR {  942}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 7    and name HZ  ))
 ASSI {  966}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HB2 ))
      3.200     1.300     1.300 peak   966 weight  0.10000E+01 volume  0.56754E-03 ppm1      0.235 ppm2      1.702 CV     1
 OR {  966}
   (( segid "    " and resid 60   and name HG1 ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI {  969}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
      3.700     1.700     1.700 peak   969 weight  0.10000E+01 volume  0.58882E-03 ppm1      0.247 ppm2      4.303 CV     1
 OR {  969}
   (( segid "    " and resid 60   and name HG1 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  971}
   (  segid "    " and resid 9    and name HD1%)
   (  segid "    " and resid 7    and name HE% )
      3.500     1.500     1.500 peak   971 weight  0.10000E+01 volume  0.69530E-03 ppm1      0.800 ppm2      7.327 CV     1
 ASSI {  974}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
      3.600     1.600     1.600 peak   974 weight  0.10000E+01 volume  0.90762E-03 ppm1      0.835 ppm2      5.006 CV     1
 ASSI { 1005}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HD2 ))
      2.900     1.100     1.100 peak  1005 weight  0.10000E+01 volume  0.85806E-03 ppm1      1.270 ppm2      1.702 CV     1
 OR { 1005}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HD1 ))
 OR { 1005}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HD2 ))
 OR { 1005}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 1006}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HB1 ))
      1.900     0.400     0.400 peak  1006 weight  0.10000E+01 volume  0.14123E-01 ppm1      1.376 ppm2      1.631 CV     1
 OR { 1006}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 1006}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 1006}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 1011}
   (  segid "    " and resid 9    and name HD1%)
   (  segid "    " and resid 12   and name HD1%)
      2.100     0.600     0.600 peak  1011 weight  0.10000E+01 volume  0.61791E-02 ppm1      0.811 ppm2      0.577 CV     1
 ASSI { 1044}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
      3.400     1.400     1.400 peak  1044 weight  0.10000E+01 volume  0.74998E-03 ppm1      1.282 ppm2      4.350 CV     1
 OR { 1044}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 1116}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 6    and name HB1 ))
      3.100     1.200     1.200 peak  1116 weight  0.10000E+01 volume  0.57460E-03 ppm1      0.835 ppm2      2.077 CV     1
 OR { 1116}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 6    and name HB1 ))
 ASSI { 1168}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 86   and name HB1 ))
      2.300     0.600     0.600 peak  1168 weight  0.10000E+01 volume  0.64320E-02 ppm1      0.800 ppm2      1.561 CV     1
 OR { 1168}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 86   and name HB2 ))
 ASSI { 1180}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 86   and name HA  ))
      2.400     0.700     0.700 peak  1180 weight  0.10000E+01 volume  0.55955E-02 ppm1      0.823 ppm2      4.210 CV     1
 OR { 1180}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HA  ))
 ASSI { 1183}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 8    and name HE1 ))
      2.700     0.900     0.900 peak  1183 weight  0.10000E+01 volume  0.83360E-03 ppm1      0.835 ppm2      2.897 CV     1
 OR { 1183}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 8    and name HE1 ))
 ASSI { 1190}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HB2 ))
      2.900     1.000     1.000 peak  1190 weight  0.10000E+01 volume  0.15441E-02 ppm1      0.847 ppm2      1.561 CV     1
 OR { 1190}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 86   and name HB1 ))
 OR { 1190}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 86   and name HB2 ))
 OR { 1190}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HB1 ))
 ASSI { 1191}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 85   and name HB1 ))
      3.000     1.100     1.100 peak  1191 weight  0.10000E+01 volume  0.96327E-03 ppm1      0.847 ppm2      2.569 CV     1
 OR { 1191}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 85   and name HB2 ))
 OR { 1191}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 85   and name HB2 ))
 ASSI { 1193}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 6    and name HE21))
      2.900     1.100     1.100 peak  1193 weight  0.10000E+01 volume  0.96429E-03 ppm1      0.847 ppm2      6.764 CV     1
 OR { 1193}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 6    and name HE21))
 ASSI { 1210}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.400     1.400 peak  1210 weight  0.10000E+01 volume  0.81257E-03 ppm1      1.164 ppm2      4.374 CV     1
 ASSI { 1211}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 42   and name HE21))
      2.700     0.900     0.900 peak  1211 weight  0.10000E+01 volume  0.66570E-03 ppm1      1.164 ppm2      6.647 CV     1
 ASSI { 1316}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 42   and name HG2 ))
      2.800     1.000     1.000 peak  1316 weight  0.10000E+01 volume  0.55584E-03 ppm1      1.164 ppm2      2.171 CV     1
 OR { 1316}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 42   and name HG1 ))
 ASSI { 1319}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 47   and name HB2 ))
      3.000     1.100     1.100 peak  1319 weight  0.10000E+01 volume  0.56623E-03 ppm1      1.164 ppm2      3.647 CV     1
 OR { 1319}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 47   and name HB1 ))
 ASSI { 1377}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
      3.500     1.600     1.600 peak  1377 weight  0.10000E+01 volume  0.73238E-03 ppm1      0.929 ppm2      4.374 CV     1
 ASSI { 1390}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 55   and name HA  ))
      3.300     1.400     1.400 peak  1390 weight  0.10000E+01 volume  0.91887E-03 ppm1      1.153 ppm2      5.124 CV     1
 ASSI { 1392}
   (  segid "    " and resid 31   and name HG2%)
   (  segid "    " and resid 38   and name HD1%)
      4.100     2.100     1.900 peak  1392 weight  0.10000E+01 volume  0.13200E-02 ppm1      1.164 ppm2      0.811 CV     1
 ASSI { 1393}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 57   and name HB  ))
      3.400     1.400     1.400 peak  1393 weight  0.10000E+01 volume  0.13778E-02 ppm1      1.164 ppm2      1.796 CV     1
 ASSI { 1434}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 64   and name HB2 ))
      3.700     1.700     1.700 peak  1434 weight  0.10000E+01 volume  0.10797E-02 ppm1      0.894 ppm2      2.944 CV     1
 ASSI { 1438}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 24   and name HE1 ))
      3.800     1.800     1.800 peak  1438 weight  0.10000E+01 volume  0.69899E-03 ppm1      0.906 ppm2      9.155 CV     1
 ASSI { 1450}
   (  segid "    " and resid 31   and name HG2%)
   (  segid "    " and resid 58   and name HD1%)
      3.600     1.600     1.600 peak  1450 weight  0.10000E+01 volume  0.17955E-02 ppm1      1.164 ppm2      0.694 CV     1
 ASSI { 1455}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      4.000     2.000     2.000 peak  1455 weight  0.10000E+01 volume  0.10290E-02 ppm1      1.164 ppm2      2.428 CV     1
 ASSI { 1458}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
      2.200     0.600     0.600 peak  1458 weight  0.10000E+01 volume  0.60576E-02 ppm1      1.164 ppm2      4.842 CV     1
 ASSI { 1459}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
      3.600     1.600     1.600 peak  1459 weight  0.10000E+01 volume  0.59647E-03 ppm1      1.164 ppm2      5.264 CV     1
 ASSI { 1474}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 3    and name HA  ))
      3.400     1.400     1.400 peak  1474 weight  0.10000E+01 volume  0.77740E-03 ppm1      0.647 ppm2      4.538 CV     1
 ASSI { 1481}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 60   and name HE2 ))
      3.700     1.700     1.700 peak  1481 weight  0.10000E+01 volume  0.11690E-02 ppm1      0.659 ppm2      2.006 CV     1
 OR { 1481}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 60   and name HE1 ))
 OR { 1481}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 60   and name HE2 ))
 ASSI { 1482}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      3.400     1.500     1.500 peak  1482 weight  0.10000E+01 volume  0.58342E-03 ppm1      0.659 ppm2      4.256 CV     1
 OR { 1482}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 1484}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 6    and name HB1 ))
      3.500     1.600     1.600 peak  1484 weight  0.10000E+01 volume  0.70228E-03 ppm1      0.670 ppm2      2.077 CV     1
 ASSI { 1485}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 3    and name HB2 ))
      2.800     1.000     1.000 peak  1485 weight  0.10000E+01 volume  0.64098E-03 ppm1      0.670 ppm2      2.171 CV     1
 OR { 1485}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 3    and name HB1 ))
 OR { 1485}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 3    and name HB2 ))
 OR { 1485}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 3    and name HB1 ))
 ASSI { 1525}
   (  segid "    " and resid 20   and name HG2%)
   (  segid "    " and resid 68   and name HD1%)
      2.300     0.600     0.600 peak  1525 weight  0.10000E+01 volume  0.45082E-02 ppm1      0.906 ppm2      0.694 CV     1
 ASSI { 1536}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 66   and name HA  ))
      2.200     0.600     0.600 peak  1536 weight  0.10000E+01 volume  0.55662E-02 ppm1      0.929 ppm2      4.116 CV     1
 ASSI { 1537}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      2.800     1.000     1.000 peak  1537 weight  0.10000E+01 volume  0.11964E-02 ppm1      0.929 ppm2      4.303 CV     1
 ASSI { 1545}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
      3.700     1.700     1.700 peak  1545 weight  0.10000E+01 volume  0.11403E-02 ppm1      0.941 ppm2      3.506 CV     1
 ASSI { 1552}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 31   and name HB  ))
      2.200     0.600     0.600 peak  1552 weight  0.10000E+01 volume  0.54876E-02 ppm1      1.176 ppm2      4.069 CV     1
 ASSI { 1756}
   (  segid "    " and resid 69   and name HB% )
   (  segid "    " and resid 7    and name HE% )
      3.400     1.400     1.400 peak  1756 weight  0.10000E+01 volume  0.92544E-03 ppm1      0.141 ppm2      7.397 CV     1
 OR { 1756}
   (  segid "    " and resid 69   and name HB% )
   (  segid "    " and resid 7    and name HD% )
 ASSI { 1759}
   (  segid "    " and resid 69   and name HB% )
   (  segid "    " and resid 9    and name HD2%)
      2.700     0.900     0.900 peak  1759 weight  0.10000E+01 volume  0.24756E-02 ppm1      0.153 ppm2      0.436 CV     1
 ASSI { 1992}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      3.600     1.600     1.600 peak  1992 weight  0.10000E+01 volume  0.11402E-02 ppm1      0.576 ppm2      4.678 CV     1
 ASSI { 2013}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 13   and name HA2 ))
      3.400     1.400     1.400 peak  2013 weight  0.10000E+01 volume  0.11083E-02 ppm1      0.729 ppm2      3.741 CV     1
 OR { 2013}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 13   and name HA1 ))
 ASSI { 2017}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 37   and name HB1 ))
      3.400     1.400     1.400 peak  2017 weight  0.10000E+01 volume  0.10628E-02 ppm1      1.011 ppm2      3.389 CV     1
 OR { 2017}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 37   and name HB2 ))
 ASSI { 2027}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 24   and name HZ3 ))
      2.900     1.100     1.100 peak  2027 weight  0.10000E+01 volume  0.72275E-03 ppm1      1.223 ppm2      6.764 CV     1
 ASSI { 2028}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 61   and name HD1%)
      3.100     1.200     1.200 peak  2028 weight  0.10000E+01 volume  0.57429E-03 ppm1      1.235 ppm2     -0.290 CV     1
 ASSI { 2030}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 38   and name HD1%)
      2.100     0.600     0.600 peak  2030 weight  0.10000E+01 volume  0.42115E-02 ppm1      1.235 ppm2      0.811 CV     1
 ASSI { 2035}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      2.100     0.600     0.600 peak  2035 weight  0.10000E+01 volume  0.38135E-02 ppm1      1.235 ppm2      1.936 CV     1
 ASSI { 2036}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HB1 ))
      3.100     1.200     1.200 peak  2036 weight  0.10000E+01 volume  0.63235E-03 ppm1      1.235 ppm2      2.546 CV     1
 OR { 2036}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HB2 ))
 ASSI { 2038}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      2.500     0.800     0.800 peak  2038 weight  0.10000E+01 volume  0.22100E-02 ppm1      1.235 ppm2      4.678 CV     1
 ASSI { 2042}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 24   and name HZ2 ))
      3.900     1.900     1.900 peak  2042 weight  0.10000E+01 volume  0.56019E-03 ppm1      1.235 ppm2      7.678 CV     1
 ASSI { 2061}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 16   and name HG11))
      2.900     1.000     1.000 peak  2061 weight  0.10000E+01 volume  0.11036E-02 ppm1      0.764 ppm2      1.327 CV     1
 OR { 2061}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 16   and name HG12))
 ASSI { 2062}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
      4.000     2.000     2.000 peak  2062 weight  0.10000E+01 volume  0.61235E-03 ppm1      0.776 ppm2      4.069 CV     1
 ASSI { 2075}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 9    and name HD1%)
      2.900     1.000     1.000 peak  2075 weight  0.10000E+01 volume  0.17725E-02 ppm1      0.329 ppm2      0.811 CV     1
 ASSI { 2142}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 18   and name HG2 ))
      3.400     1.400     1.400 peak  2142 weight  0.10000E+01 volume  0.78912E-03 ppm1      0.564 ppm2      1.983 CV     1
 OR { 2142}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 18   and name HG1 ))
 ASSI { 2143}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
      3.700     1.700     1.700 peak  2143 weight  0.10000E+01 volume  0.78600E-03 ppm1      0.576 ppm2      4.655 CV     1
 ASSI { 2148}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 9    and name HD2%)
      2.100     0.600     0.600 peak  2148 weight  0.10000E+01 volume  0.76509E-02 ppm1      0.553 ppm2      0.436 CV     1
 ASSI { 2168}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
      2.600     0.900     0.900 peak  2168 weight  0.10000E+01 volume  0.19981E-02 ppm1      0.717 ppm2      4.280 CV     1
 ASSI { 2178}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 17   and name HA  ))
      3.400     1.500     1.500 peak  2178 weight  0.10000E+01 volume  0.61543E-03 ppm1      0.682 ppm2      4.491 CV     1
 ASSI { 2186}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 18   and name HB2 ))
      3.300     1.400     1.400 peak  2186 weight  0.10000E+01 volume  0.82774E-03 ppm1      0.717 ppm2      1.866 CV     1


! Hydrogen bond 
assign (resid    19 and  name O   )(resid   69 and  name N    ) 2.80 0.30 0.50
assign (resid    19 and  name O   )(resid   69 and  name HN   ) 1.80 0.30 0.50
assign (resid    69 and  name O   )(resid   19 and  name N    ) 2.80 0.30 0.50
assign (resid    69 and  name O   )(resid   19 and  name HN   ) 1.80 0.30 0.50


assign (resid    67 and  name O   )(resid   21 and  name N    ) 2.80 0.30 0.50
assign (resid    67 and  name O   )(resid   21 and  name HN   ) 1.80 0.30 0.50


! modify by Chi-Fon 02/05/2001 N-O distance from 2.5-3.3 A; NH-O 1.5-2.3A
assign (resid    57 and  name O   )(resid   79 and  name N    ) 2.80 0.30 0.50
assign (resid    57 and  name O   )(resid   79 and  name HN   ) 1.80 0.30 0.50
assign (resid    79 and  name O   )(resid   57 and  name N    ) 2.80 0.30 0.50
assign (resid    79 and  name O   )(resid   57 and  name HN   ) 1.80 0.30 0.50

assign (resid    77 and  name O   )(resid   59 and  name N    ) 2.80 0.30 0.50
assign (resid    77 and  name O   )(resid   59 and  name HN   ) 1.80 0.30 0.50

assign (resid    5 and  name O   )(resid   78 and  name N    ) 2.80 0.30 0.50
assign (resid    5 and  name O   )(resid   78 and  name HN   ) 1.80 0.30 0.50

assign (resid    32 and  name O   )(resid   56 and  name N    ) 2.80 0.30 0.50
assign (resid    32 and  name O   )(resid   56 and  name HN   ) 1.80 0.30 0.50
assign (resid    56 and  name O   )(resid   32 and  name N    ) 2.80 0.30 0.50
assign (resid    56 and  name O   )(resid   32 and  name HN   ) 1.80 0.30 0.50

assign (resid    41 and  name O   )(resid   48 and  name N    ) 2.80 0.30 0.50
assign (resid    41 and  name O   )(resid   48 and  name HN   ) 1.80 0.30 0.50
assign (resid    48 and  name O   )(resid   41 and  name N    ) 2.80 0.30 0.50
assign (resid    48 and  name O   )(resid   41 and  name HN   ) 1.80 0.30 0.50

assign (resid    39 and  name O   )(resid   50 and  name N    ) 2.80 0.30 0.50
assign (resid    39 and  name O   )(resid   50 and  name HN   ) 1.80 0.30 0.50

assign (resid    40 and  name O   )(resid   23 and  name N    ) 2.80 0.30 0.50
assign (resid    40 and  name O   )(resid   23 and  name HN   ) 1.80 0.30 0.50
assign (resid    23 and  name O   )(resid   40 and  name N    ) 2.80 0.30 0.50
assign (resid    23 and  name O   )(resid   40 and  name HN   ) 1.80 0.30 0.50

assign (resid    30 and  name O   )(resid   58 and  name N    ) 2.80 0.30 0.50
assign (resid    30 and  name O   )(resid   58 and  name HN   ) 1.80 0.30 0.50
assign (resid    58 and  name O   )(resid   30 and  name N    ) 2.80 0.30 0.50
assign (resid    58 and  name O   )(resid   30 and  name HN   ) 1.80 0.30 0.50

! adding two more for beta region 02/02/2001
assign (resid    7 and  name O   )(resid   76 and  name N    ) 2.80 0.30 0.50
assign (resid    7 and  name O   )(resid   76 and  name HN   ) 1.80 0.30 0.50


!assign (resid    50 and  name O   )(resid   39 and  name N    ) 2.80 0.30 0.50
!assign (resid    50 and  name O   )(resid   39 and  name HN   ) 1.80 0.30 0.50

! adding one more 05/01/2001; remove for 06/18/2001
!assign (resid    19 and  name O   )(resid   69 and  name N    ) 2.80 0.30 0.50
!assign (resid    19 and  name O   )(resid   69 and  name HN   ) 1.80 0.30 0.50

!adding four more from insighII structure and H/D exchange 06/18/2001
assign (resid    40 and  name O   )(resid   22 and  name N    ) 2.80 0.30 0.50
assign (resid    40 and  name O   )(resid   22 and  name HN   ) 1.80 0.30 0.50

assign (resid    38 and  name O   )(resid   25 and  name N    ) 2.80 0.30 0.50
assign (resid    38 and  name O   )(resid   25 and  name HN   ) 1.80 0.30 0.50

assign (resid    50 and  name O   )(resid   38 and  name N    ) 2.80 0.30 0.50
assign (resid    50 and  name O   )(resid   38 and  name HN   ) 1.80 0.30 0.50

assign (resid    7 and  name O   )(resid   75 and  name N    ) 2.80 0.30 0.50
assign (resid    7 and  name O   )(resid   75 and  name HN   ) 1.80 0.30 0.50


! Dihedral constraints from experimental data and TALOS

 assign (resid  1  and name C) (resid  2  and name N)
        (resid  2  and name CA) (resid  2  and name C)  1  80.000 40  2
 
 assign (resid  2  and name C) (resid  3  and name N)
        (resid  3  and name CA) (resid  3  and name C)  1  -121.000 40  2
 
 assign (resid  3  and name C) (resid  4  and name N)
        (resid  4  and name CA) (resid  4  and name C)  1  -120.000 20  2
 
 assign (resid  4  and name C) (resid  5  and name N)
        (resid  5  and name CA) (resid  5  and name C)  1  -120.000 20  2
 
 assign (resid  5  and name C) (resid  6  and name N)
        (resid  6  and name CA) (resid  6  and name C)  1  -120.000 20  2
 
 assign (resid  6  and name C) (resid  7  and name N)
        (resid  7  and name CA) (resid  7  and name C)  1  -120.000 20  2
 
 assign (resid  7  and name C) (resid  8  and name N)
        (resid  8  and name CA) (resid  8  and name C)  1  -87.460 40  2
 
 assign (resid  8  and name C) (resid  9  and name N)
        (resid  9  and name CA) (resid  9  and name C)  1  -81.950 40  2
 
 assign (resid  9  and name C) (resid  10  and name N)
        (resid  10  and name CA) (resid  10  and name C)  1  -101.790 40  2
 
 assign (resid  11  and name C) (resid  12  and name N)
        (resid  12  and name CA) (resid  12  and name C)  1  -106.580 40  2
 
 assign (resid  12  and name C) (resid  13  and name N)
        (resid  13  and name CA) (resid  13  and name C)  1  -112.910 40  2
 
 assign (resid  13  and name C) (resid  14  and name N)
        (resid  14  and name CA) (resid  14  and name C)  1  -71.400 40  2
 
 assign (resid  14  and name C) (resid  15  and name N)
        (resid  15  and name CA) (resid  15  and name C)  1  -166.200 40  2
 
 assign (resid  15  and name C) (resid  16  and name N)
        (resid  16  and name CA) (resid  16  and name C)  1  -93.450 40  2
 
 assign (resid  17  and name C) (resid  18  and name N)
        (resid  18  and name CA) (resid  18  and name C)  1  -120 20  2
 
 assign (resid  18  and name C) (resid  19  and name N)
        (resid  19  and name CA) (resid  19  and name C)  1  -120 20  2
 
 assign (resid  19  and name C) (resid  20  and name N)
        (resid  20  and name CA) (resid  20  and name C)  1  -120 20  2
 
 assign (resid  20  and name C) (resid  21  and name N)
        (resid  21  and name CA) (resid  21  and name C)  1  -120 40  2
 
 assign (resid  21  and name C) (resid  22  and name N)
        (resid  22  and name CA) (resid  22  and name C)  1  -120 40  2
 
 assign (resid  22  and name C) (resid  23  and name N)
        (resid  23  and name CA) (resid  23  and name C)  1  -120 20  2
 
 assign (resid  23  and name C) (resid  24  and name N)
        (resid  24  and name CA) (resid  24  and name C)  1  -120 20  2
 
 assign (resid  24  and name C) (resid  25  and name N)
        (resid  25  and name CA) (resid  25  and name C)  1  -120 20  2
 
 assign (resid  25  and name C) (resid  26  and name N)
        (resid  26  and name CA) (resid  26  and name C)  1  -134.260 40  2
 
 assign (resid  26  and name C) (resid  27  and name N)
        (resid  27  and name CA) (resid  27  and name C)  1  -108.480 40  2
 
 assign (resid  27  and name C) (resid  28  and name N)
        (resid  28  and name CA) (resid  28  and name C)  1  -57.740 40  2
 
 assign (resid  28  and name C) (resid  29  and name N)
        (resid  29  and name CA) (resid  29  and name C)  1  89.010 40  2
 
 assign (resid  29  and name C) (resid  30  and name N)
        (resid  30  and name CA) (resid  30  and name C)  1  -84.860 40  2
 
 assign (resid  30  and name C) (resid  31  and name N)
        (resid  31  and name CA) (resid  31  and name C)  1  -120 20  2
 
 assign (resid  31  and name C) (resid  32  and name N)
        (resid  32  and name CA) (resid  32  and name C)  1  -120 20  2
 
 assign (resid  32  and name C) (resid  33  and name N)
        (resid  33  and name CA) (resid  33  and name C)  1  -120 20  2
 
 assign (resid  33  and name C) (resid  34  and name N)
        (resid  34  and name CA) (resid  34  and name C)  1  -65.440 40  2
 
 assign (resid  34  and name C) (resid  35  and name N)
        (resid  35  and name CA) (resid  35  and name C)  1  -63.900 40  2
 
 assign (resid  35  and name C) (resid  36  and name N)
        (resid  36  and name CA) (resid  36  and name C)  1  -80.680 40  2
 
 assign (resid  36  and name C) (resid  37  and name N)
        (resid  37  and name CA) (resid  37  and name C)  1  -73.920 40  2
 
 assign (resid  37  and name C) (resid  38  and name N)
        (resid  38  and name CA) (resid  38  and name C)  1  -106.710 40  2
 
 assign (resid  38  and name C) (resid  39  and name N)
        (resid  39  and name CA) (resid  39  and name C)  1  -120 20  2
 
 assign (resid  39  and name C) (resid  40  and name N)
        (resid  40  and name CA) (resid  40  and name C)  1  -120 20  2
 
 assign (resid  40  and name C) (resid  41  and name N)
        (resid  41  and name CA) (resid  41  and name C)  1  -120 20  2

 assign (resid  41  and name C) (resid  42  and name N)
        (resid  42  and name CA) (resid  42  and name C)  1  -120 20  2
 
 assign (resid  42  and name C) (resid  43  and name N)
        (resid  43  and name CA) (resid  43  and name C)  1  -120 20  2
 
 assign (resid  43  and name C) (resid  44  and name N)
        (resid  44  and name CA) (resid  44  and name C)  1  -69.260 40  2
 
 assign (resid  44  and name C) (resid  45  and name N)
        (resid  45  and name CA) (resid  45  and name C)  1  -92.970 40  2
 
 assign (resid  45  and name C) (resid  46  and name N)
        (resid  46  and name CA) (resid  46  and name C)  1  -108.680 40  2
 
 assign (resid  46  and name C) (resid  47  and name N)
        (resid  47  and name CA) (resid  47  and name C)  1  -120 20  2
 
 assign (resid  47  and name C) (resid  48  and name N)
        (resid  48  and name CA) (resid  48  and name C)  1  -120 20  2

 assign (resid  48  and name C) (resid  49  and name N)
        (resid  49  and name CA) (resid  49  and name C)  1  -120 20  2
 
 assign (resid  49  and name C) (resid  50  and name N)
        (resid  50  and name CA) (resid  50  and name C)  1  -120 20  2
 
 assign (resid  50  and name C) (resid  51  and name N)
        (resid  51  and name CA) (resid  51  and name C)  1  -92.080 40  2
 
 assign (resid  51  and name C) (resid  52  and name N)
        (resid  52  and name CA) (resid  52  and name C)  1  -80.870 40  2
 
 assign (resid  52  and name C) (resid  53  and name N)
        (resid  53  and name CA) (resid  53  and name C)  1  85.380 40  2
 
 assign (resid  53  and name C) (resid  54  and name N)
        (resid  54  and name CA) (resid  54  and name C)  1  -134.770 40  2
 
 assign (resid  54  and name C) (resid  55  and name N)
        (resid  55  and name CA) (resid  55  and name C)  1  -120 20  2
 
 assign (resid  55  and name C) (resid  56  and name N)
        (resid  56  and name CA) (resid  56  and name C)  1  -120 20  2
 
 assign (resid  56  and name C) (resid  57  and name N)
        (resid  57  and name CA) (resid  57  and name C)  1  -120 20  2
 
 assign (resid  57  and name C) (resid  58  and name N)
        (resid  58  and name CA) (resid  58  and name C)  1  -120 20  2
 
 assign (resid  58  and name C) (resid  59  and name N)
        (resid  59  and name CA) (resid  59  and name C)  1  -120 20  2
 
 assign (resid  59  and name C) (resid  60  and name N)
        (resid  60  and name CA) (resid  60  and name C)  1  -122.870 40  2
 
 assign (resid  60  and name C) (resid  61  and name N)
        (resid  61  and name CA) (resid  61  and name C)  1  -97.010 40  2
 
 assign (resid  61  and name C) (resid  62  and name N)
        (resid  62  and name CA) (resid  62  and name C)  1  -79.460 40  2
 
 assign (resid  62  and name C) (resid  63  and name N)
        (resid  63  and name CA) (resid  63  and name C)  1  -122.620 40  2
 
 assign (resid  64  and name C) (resid  65  and name N)
        (resid  65  and name CA) (resid  65  and name C)  1  -63.370 40  2
 
 assign (resid  65  and name C) (resid  66  and name N)
        (resid  66  and name CA) (resid  66  and name C)  1  -66.910 40  2
 
 assign (resid  66  and name C) (resid  67  and name N)
        (resid  67  and name CA) (resid  67  and name C)  1  -109.530 40  2
 
 assign (resid  67  and name C) (resid  68  and name N)
        (resid  68  and name CA) (resid  68  and name C)  1  -120 20  2
 
 assign (resid  68  and name C) (resid  69  and name N)
        (resid  69  and name CA) (resid  69  and name C)  1  -120 20  2
 
 assign (resid  69  and name C) (resid  70  and name N)
        (resid  70  and name CA) (resid  70  and name C)  1  -92.930 40  2
 
 assign (resid  70  and name C) (resid  71  and name N)
        (resid  71  and name CA) (resid  71  and name C)  1  -65.470 40  2
 
 assign (resid  71  and name C) (resid  72  and name N)
        (resid  72  and name CA) (resid  72  and name C)  1  81.090 40  2
 
 assign (resid  72  and name C) (resid  73  and name N)
        (resid  73  and name CA) (resid  73  and name C)  1  -116.570 40  2
 
 assign (resid  73  and name C) (resid  74  and name N)
        (resid  74  and name CA) (resid  74  and name C)  1  -82.270 40  2
 
 assign (resid  74  and name C) (resid  75  and name N)
        (resid  75  and name CA) (resid  75  and name C)  1  -102.210 40  2
 
 assign (resid  75  and name C) (resid  76  and name N)
        (resid  76  and name CA) (resid  76  and name C)  1  -120 20  2
 
 assign (resid  76  and name C) (resid  77  and name N)
        (resid  77  and name CA) (resid  77  and name C)  1  -120 20  2
 
 assign (resid  77  and name C) (resid  78  and name N)
        (resid  78  and name CA) (resid  78  and name C)  1  -120 20  2
 
 assign (resid  78  and name C) (resid  79  and name N)
        (resid  79  and name CA) (resid  79  and name C)  1  -120 20  2
 
 assign (resid  79  and name C) (resid  80  and name N)
        (resid  80  and name CA) (resid  80  and name C)  1  -120 20  2
 
 assign (resid  80  and name C) (resid  81  and name N)
        (resid  81  and name CA) (resid  81  and name C)  1  -98.590 40  2
 
 assign (resid  81  and name C) (resid  82  and name N)
        (resid  82  and name CA) (resid  82  and name C)  1  -78.120 40  2
 
 assign (resid  82  and name C) (resid  83  and name N)
        (resid  83  and name CA) (resid  83  and name C)  1  -83.260 40  2
 
 assign (resid  83  and name C) (resid  84  and name N)
        (resid  84  and name CA) (resid  84  and name C)  1  -58.250 40  2
 
 assign (resid  84  and name C) (resid  85  and name N)
        (resid  85  and name CA) (resid  85  and name C)  1  -65.240 40  2
 
 assign (resid  85  and name C) (resid  86  and name N)
        (resid  86  and name CA) (resid  86  and name C)  1  -95.590 40  2
 
!psi angles from TALOS 

 assign (resid  2  and name N) (resid  2  and name CA)
        (resid  2  and name C) (resid  3  and name N)  1  6.000 13.000  2
 
 assign (resid  3  and name N) (resid  3  and name CA)
        (resid  3  and name C) (resid  4  and name N)  1  137.000 16.000  2
 
 assign (resid  4  and name N) (resid  4  and name CA)
        (resid  4  and name C) (resid  5  and name N)  1  131.000 14.000  2
 
 assign (resid  5  and name N) (resid  5  and name CA)
        (resid  5  and name C) (resid  6  and name N)  1  132.000 10.000  2
 
 assign (resid  6  and name N) (resid  6  and name CA)
        (resid  6  and name C) (resid  7  and name N)  1  129.000 16.000  2
 
 assign (resid  7  and name N) (resid  7  and name CA)
        (resid  7  and name C) (resid  8  and name N)  1  130.000 28.000  2
 
 assign (resid  8  and name N) (resid  8  and name CA)
        (resid  8  and name C) (resid  9  and name N)  1  122.980 21.270  2
 
 assign (resid  9  and name N) (resid  9  and name CA)
        (resid  9  and name C) (resid  10  and name N)  1  125.430 9.860  2
 
 assign (resid  11  and name N) (resid  11  and name CA)
        (resid  11  and name C) (resid  12  and name N)  1  -29.850 12.220  2
 
 assign (resid  13  and name N) (resid  13  and name CA)
        (resid  13  and name C) (resid  14  and name N)  1  148.590 22.240  2
 
 assign (resid  15  and name N) (resid  15  and name CA)
        (resid  15  and name C) (resid  16  and name N)  1  -2.760 100.180  2
 
 assign (resid  17  and name N) (resid  17  and name CA)
        (resid  17  and name C) (resid  18  and name N)  1  130.380 21.190  2
 
 assign (resid  18  and name N) (resid  18  and name CA)
        (resid  18  and name C) (resid  19  and name N)  1  153.920 18.830  2
 
 assign (resid  19  and name N) (resid  19  and name CA)
        (resid  19  and name C) (resid  20  and name N)  1  152.800 14.590  2
 
 assign (resid  21  and name N) (resid  21  and name CA)
        (resid  21  and name C) (resid  22  and name N)  1  123.730 13.120  2
 
 assign (resid  22  and name N) (resid  22  and name CA)
        (resid  22  and name C) (resid  23  and name N)  1  -33.060 9.370  2
 
 assign (resid  23  and name N) (resid  23  and name CA)
        (resid  23  and name C) (resid  24  and name N)  1  134.130 24.900  2
 
 assign (resid  24  and name N) (resid  24  and name CA)
        (resid  24  and name C) (resid  25  and name N)  1  133.390 17.700  2
 

 assign (resid  26  and name N) (resid  26  and name CA)
        (resid  26  and name C) (resid  27  and name N)  1  161.880 10.030  2
 
 assign (resid  28  and name N) (resid  28  and name CA)
        (resid  28  and name C) (resid  29  and name N)  1  132.950 9.700  2
 
 assign (resid  29  and name N) (resid  29  and name CA)
        (resid  29  and name C) (resid  30  and name N)  1  -10.380 10.560  2
 
 assign (resid  30  and name N) (resid  30  and name CA)
        (resid  30  and name C) (resid  31  and name N)  1  134.010 19.600  2
 
 assign (resid  31  and name N) (resid  31  and name CA)
        (resid  31  and name C) (resid  32  and name N)  1  145.220 21.120  2
 
 assign (resid  32  and name N) (resid  32  and name CA)
        (resid  32  and name C) (resid  33  and name N)  1  155.600 13.170  2
 
 assign (resid  34  and name N) (resid  34  and name CA)
        (resid  34  and name C) (resid  35  and name N)  1  -31.030 14.190  2
 
 assign (resid  35  and name N) (resid  35  and name CA)
        (resid  35  and name C) (resid  36  and name N)  1  -34.000 16.610  2
 
 assign (resid  37  and name N) (resid  37  and name CA)
        (resid  37  and name C) (resid  38  and name N)  1  134.130 25.080  2
 
 assign (resid  39  and name N) (resid  39  and name CA)
        (resid  39  and name C) (resid  40  and name N)  1  139.020 24.110  2
 
 assign (resid  40  and name N) (resid  40  and name CA)
        (resid  40  and name C) (resid  41  and name N)  1  142.840 17.070  2
 
 assign (resid  41  and name N) (resid  41  and name CA)
        (resid  41  and name C) (resid  42  and name N)  1  155.680 13.960  2
 
 assign (resid  42  and name N) (resid  42  and name CA)
        (resid  42  and name C) (resid  43  and name N)  1  133.630 14.610  2
 
 assign (resid  43  and name N) (resid  43  and name CA)
        (resid  43  and name C) (resid  44  and name N)  1  132.600 21.460  2
 
 assign (resid  46  and name N) (resid  46  and name CA)
        (resid  46  and name C) (resid  47  and name N)  1  142.150 20.510  2
 
 assign (resid  47  and name N) (resid  47  and name CA)
        (resid  47  and name C) (resid  48  and name N)  1  125.440 18.480  2
 
 assign (resid  48  and name N) (resid  48  and name CA)
        (resid  48  and name C) (resid  49  and name N)  1  132.930 20.850  2
 
 assign (resid  49  and name N) (resid  49  and name CA)
        (resid  49  and name C) (resid  50  and name N)  1  117.860 13.500  2
 
 assign (resid  50  and name N) (resid  50  and name CA)
        (resid  50  and name C) (resid  51  and name N)  1  124.830 17.670  2
 
 assign (resid  51  and name N) (resid  51  and name CA)
        (resid  51  and name C) (resid  52  and name N)  1  159.550 20.920  2
 
 assign (resid  53  and name N) (resid  53  and name CA)
        (resid  53  and name C) (resid  54  and name N)  1  -0.990 11.720  2
 
 assign (resid  54  and name N) (resid  54  and name CA)
        (resid  54  and name C) (resid  55  and name N)  1  156.110 13.790  2
 
 assign (resid  55  and name N) (resid  55  and name CA)
        (resid  55  and name C) (resid  56  and name N)  1  132.680 13.970  2
 
 assign (resid  56  and name N) (resid  56  and name CA)
        (resid  56  and name C) (resid  57  and name N)  1  143.840 19.820  2
 
 assign (resid  57  and name N) (resid  57  and name CA)
        (resid  57  and name C) (resid  58  and name N)  1  126.630 14.250  2
 
 assign (resid  58  and name N) (resid  58  and name CA)
        (resid  58  and name C) (resid  59  and name N)  1  120.680 15.340  2
 
 assign (resid  59  and name N) (resid  59  and name CA)
        (resid  59  and name C) (resid  60  and name N)  1  -12.790 31.000  2
 
 assign (resid  61  and name N) (resid  61  and name CA)
        (resid  61  and name C) (resid  62  and name N)  1  124.780 26.520  2
 
 assign (resid  62  and name N) (resid  62  and name CA)
        (resid  62  and name C) (resid  63  and name N)  1  -34.780 10.160  2
 
 assign (resid  63  and name N) (resid  63  and name CA)
        (resid  63  and name C) (resid  64  and name N)  1  142.380 8.080  2
 
 !assign (resid  64  and name N) (resid  64  and name CA)
 !       (resid  64  and name C) (resid  65  and name N)  1  149.900 24.900  2
 
 assign (resid  65  and name N) (resid  65  and name CA)
        (resid  65  and name C) (resid  66  and name N)  1  -22.260 6.220  2
 
 assign (resid  66  and name N) (resid  66  and name CA)
        (resid  66  and name C) (resid  67  and name N)  1  -31.090 4.810  2
 
 assign (resid  67  and name N) (resid  67  and name CA)
        (resid  67  and name C) (resid  68  and name N)  1  141.350 24.040  2
 
 assign (resid  68  and name N) (resid  68  and name CA)
        (resid  68  and name C) (resid  69  and name N)  1  131.270 10.860  2
 
 assign (resid  69  and name N) (resid  69  and name CA)
        (resid  69  and name C) (resid  70  and name N)  1  137.070 20.300  2
 
 assign (resid  70  and name N) (resid  70  and name CA)
        (resid  70  and name C) (resid  71  and name N)  1  134.650 13.450  2
 
 assign (resid  71  and name N) (resid  71  and name CA)
        (resid  71  and name C) (resid  72  and name N)  1  129.390 9.710  2
 
 assign (resid  72  and name N) (resid  72  and name CA)
        (resid  72  and name C) (resid  73  and name N)  1  -4.070 14.730  2
 
 assign (resid  73  and name N) (resid  73  and name CA)
        (resid  73  and name C) (resid  74  and name N)  1  149.600 19.940  2
 
 assign (resid  74  and name N) (resid  74  and name CA)
        (resid  74  and name C) (resid  75  and name N)  1  143.560 20.900  2
 
 assign (resid  75  and name N) (resid  75  and name CA)
        (resid  75  and name C) (resid  76  and name N)  1  -23.330 23.360  2
 
 assign (resid  76  and name N) (resid  76  and name CA)
        (resid  76  and name C) (resid  77  and name N)  1  149.300 8.820  2
 
 assign (resid  77  and name N) (resid  77  and name CA)
        (resid  77  and name C) (resid  78  and name N)  1  139.610 19.880  2
 
 assign (resid  78  and name N) (resid  78  and name CA)
        (resid  78  and name C) (resid  79  and name N)  1  133.830 15.000  2
 
 assign (resid  79  and name N) (resid  79  and name CA)
        (resid  79  and name C) (resid  80  and name N)  1  127.980 10.630  2
 
 assign (resid  80  and name N) (resid  80  and name CA)
        (resid  80  and name C) (resid  81  and name N)  1  131.100 23.940  2
 
 assign (resid  81  and name N) (resid  81  and name CA)
        (resid  81  and name C) (resid  82  and name N)  1  137.760 15.810  2
 
 assign (resid  82  and name N) (resid  82  and name CA)
        (resid  82  and name C) (resid  83  and name N)  1  135.080 24.180  2
 
 assign (resid  83  and name N) (resid  83  and name CA)
        (resid  83  and name C) (resid  84  and name N)  1  123.930 21.190  2
 
 assign (resid  84  and name N) (resid  84  and name CA)
        (resid  84  and name C) (resid  85  and name N)  1  -33.170 9.890  2
 
 assign (resid  85  and name N) (resid  85  and name CA)
        (resid  85  and name C) (resid  86  and name N)  1  -29.610 19.330  2
 
 assign (resid  86  and name N) (resid  86  and name CA)
        (resid  86  and name C) (resid  87  and name N)  1  -6.280 21.510  2
 
 assign (resid  54  and name N) (resid  54  and name CA)
        (resid  54  and name CB) (resid  54  and name CG)  1.0  -60.0 60  2.0

 assign (resid  61  and name N) (resid  61  and name CA)
        (resid  61  and name CB) (resid  61  and name CG)  1.0  -60.0 60  2.0

 assign (resid  63  and name N) (resid  63  and name CA)
        (resid  63  and name CB) (resid  63  and name CG)  1.0  -60.0 60  2.0

 assign (resid  67  and name N) (resid  67  and name CA)
        (resid  67  and name CB) (resid  67  and name CG)  1.0  -60.0 60  2.0

 assign (resid  70  and name N) (resid  70  and name CA)
        (resid  70  and name CB) (resid  70  and name CG)  1.0  -60.0 60  2.0

 assign (resid  77  and name N) (resid  77  and name CA)
        (resid  77  and name CB) (resid  77  and name CG)  1.0  -60.0 60  2.0

! Adding 10 KI 1 for VAL 5,19,21,26,32,41,48,57,71,76 

assign (resid  19  and name N) (resid  19  and name CA)
        (resid  19  and name CB) (resid  19  and name CG1)  1.0  60.0 60  2.0

assign (resid  21  and name N) (resid  21  and name CA)
        (resid  21  and name CB) (resid  21  and name CG1)  1.0  180.0 60  2.0

assign (resid  48  and name N) (resid  48  and name CA)
        (resid  48  and name CB) (resid  48  and name CG1)  1.0  180.0 60  2.0

assign (resid  57  and name N) (resid  57 and name CA)
        (resid  57  and name CB) (resid  57  and name CG1)  1.0  180.0 60  2.0

assign (resid  71  and name N) (resid  71  and name CA)
        (resid  71  and name CB) (resid  71  and name CG1)  1.0  180.0 60  2.0

assign (resid  76  and name N) (resid  76  and name CA)
        (resid  76  and name CB) (resid  76  and name CG1)  1.0  60.0 60  2.0

  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1          HT1       MET   1 -18.195   8.533  -2.812
    2   2H    MET   1          HT2       MET   1 -18.118   8.566  -2.702
    3   3H    MET   1          HT3       MET   1 -18.202   8.422  -2.688
    4    HA   MET   1           HA       MET   1 -18.701   8.351  -3.676
    5   1HB   MET   1          HB2       MET   1 -19.050   9.004  -3.005
    6   2HB   MET   1          HB1       MET   1 -18.843   9.329  -3.555
    7   1HG   MET   1          HG2       MET   1 -19.788   9.300  -3.270
    8   2HG   MET   1          HG1       MET   1 -19.920   9.468  -3.179
    9   1HE   MET   1          HE1       MET   1 -20.921  10.235  -3.175
   10   2HE   MET   1          HE2       MET   1 -20.777   9.902  -3.314
   11   3HE   MET   1          HE3       MET   1 -20.853  10.351  -3.607
   12    H    GLY   2           HN       GLY   2 -16.780   7.451  -4.607
   13   1HA   GLY   2          HA2       GLY   2 -16.192   7.477  -6.583
   14   2HA   GLY   2          HA1       GLY   2 -16.703   9.003  -6.698
   15    H    GLN   3           HN       GLN   3 -15.001   8.380  -4.186
   16    HA   GLN   3           HA       GLN   3 -12.671   9.258  -5.180
   17   1HB   GLN   3          HB2       GLN   3 -13.449   9.874  -2.877
   18   2HB   GLN   3          HB1       GLN   3 -12.644  10.272  -3.235
   19   1HG   GLN   3          HG2       GLN   3 -13.634  11.303  -3.693
   20   2HG   GLN   3          HG1       GLN   3 -13.987  10.830  -3.576
   21   1HE2  GLN   3          HE21      GLN   3 -14.096  12.231  -3.086
   22   2HE2  GLN   3          HE22      GLN   3 -14.162  12.955  -2.482
   23    H    VAL   4           HN       VAL   4 -10.725   8.395  -4.480
   24    HA   VAL   4           HA       VAL   4 -10.921   6.003  -2.823
   25    HB   VAL   4           HB       VAL   4  -9.203   4.915  -4.191
   26   1HG1  VAL   4          HG11      VAL   4 -10.947   4.586  -5.672
   27   2HG1  VAL   4          HG12      VAL   4 -11.284   5.288  -5.731
   28   3HG1  VAL   4          HG13      VAL   4 -11.451   4.831  -5.122
   29   1HG2  VAL   4          HG21      VAL   4  -8.745   6.741  -5.754
   30   2HG2  VAL   4          HG22      VAL   4  -8.802   6.608  -5.859
   31   3HG2  VAL   4          HG23      VAL   4  -8.638   6.605  -5.789
   32    H    VAL   5           HN       VAL   5  -9.203   5.540  -1.488
   33    HA   VAL   5           HA       VAL   5  -7.395   7.777  -0.964
   34    HB   VAL   5           HB       VAL   5  -6.925   6.659   1.167
   35   1HG1  VAL   5          HG11      VAL   5  -9.251   7.340   1.352
   36   2HG1  VAL   5          HG12      VAL   5  -9.289   7.395   1.234
   37   3HG1  VAL   5          HG13      VAL   5  -9.185   7.448   1.306
   38   1HG2  VAL   5          HG21      VAL   5  -8.061   4.551   0.906
   39   2HG2  VAL   5          HG22      VAL   5  -8.107   4.537   0.785
   40   3HG2  VAL   5          HG23      VAL   5  -8.185   4.589   0.877
   41    H    GLN   6           HN       GLN   6  -5.289   7.632  -1.450
   42    HA   GLN   6           HA       GLN   6  -4.342   5.087  -2.505
   43   1HB   GLN   6          HB2       GLN   6  -3.453   7.737  -3.061
   44   2HB   GLN   6          HB1       GLN   6  -2.689   6.681  -3.448
   45   1HG   GLN   6          HG2       GLN   6  -3.501   6.476  -4.927
   46   2HG   GLN   6          HG1       GLN   6  -4.771   6.361  -4.304
   47   1HE2  GLN   6          HE21      GLN   6  -4.675   8.773  -3.514
   48   2HE2  GLN   6          HE22      GLN   6  -4.957   9.861  -4.341
   49    H    PHE   7           HN       PHE   7  -2.479   4.117  -1.880
   50    HA   PHE   7           HA       PHE   7  -1.353   5.031   0.657
   51   1HB   PHE   7          HB2       PHE   7  -2.110   2.819   0.917
   52   2HB   PHE   7          HB1       PHE   7  -1.539   2.343  -0.666
   53    HD1  PHE   7           HD1      PHE   7  -0.330   3.396   2.614
   54    HD2  PHE   7           HD2      PHE   7   0.482   1.304  -0.846
   55    HE1  PHE   7           HE1      PHE   7   1.724   2.531   3.625
   56    HE2  PHE   7           HE2      PHE   7   2.537   0.433   0.157
   57    HZ   PHE   7           HZ       PHE   7   3.185   1.068   2.374
   58    H    LYS   8           HN       LYS   8   0.722   5.605   0.805
   59    HA   LYS   8           HA       LYS   8   2.405   5.340  -1.584
   60   1HB   LYS   8          HB2       LYS   8   2.762   7.505  -1.212
   61   2HB   LYS   8          HB1       LYS   8   1.792   7.635  -0.670
   62   1HG   LYS   8          HG2       LYS   8   3.052   7.339   0.719
   63   2HG   LYS   8          HG1       LYS   8   3.484   8.190  -0.143
   64   1HD   LYS   8          HD2       LYS   8   2.043   8.858   0.824
   65   2HD   LYS   8          HD1       LYS   8   2.805   9.414   0.563
   66   1HE   LYS   8          HE2       LYS   8   1.824  10.109  -0.931
   67   2HE   LYS   8          HE1       LYS   8   1.022   9.835  -0.329
   68   1HZ   LYS   8          HZ1       LYS   8   1.773  11.487   0.053
   69   2HZ   LYS   8          HZ2       LYS   8   1.640  11.011   0.568
   70   3HZ   LYS   8          HZ3       LYS   8   1.234  11.250   0.044
   71    H    LEU   9           HN       LEU   9   4.528   4.791  -1.296
   72    HA   LEU   9           HA       LEU   9   5.329   3.214   0.791
   73   1HB   LEU   9          HB2       LEU   9   6.430   3.387  -1.394
   74   2HB   LEU   9          HB1       LEU   9   7.086   4.918  -0.926
   75    HG   LEU   9           HG       LEU   9   8.742   3.110  -0.805
   76   1HD1  LEU   9          HD11      LEU   9   9.099   4.397   1.105
   77   2HD1  LEU   9          HD12      LEU   9   8.913   4.048   1.478
   78   3HD1  LEU   9          HD13      LEU   9   8.601   4.465   1.320
   79   1HD2  LEU   9          HD21      LEU   9   7.767   1.501   0.610
   80   2HD2  LEU   9          HD22      LEU   9   7.478   1.565   0.574
   81   3HD2  LEU   9          HD23      LEU   9   7.610   1.612   0.836
   82    H    SER  10           HN       SER  10   5.668   3.672   2.844
   83    HA   SER  10           HA       SER  10   6.750   6.167   3.592
   84   1HB   SER  10          HB2       SER  10   4.803   5.630   4.793
   85   2HB   SER  10          HB1       SER  10   4.938   5.817   4.978
   86    HG   SER  10           HG       SER  10   4.705   6.048   4.696
   87    H    ASP  11           HN       ASP  11   8.194   5.355   4.808
   88    HA   ASP  11           HA       ASP  11   8.684   4.512   6.906
   89   1HB   ASP  11          HB2       ASP  11   8.725   2.596   5.641
   90   2HB   ASP  11          HB1       ASP  11   9.545   2.587   5.596
   91    H    ILE  12           HN       ILE  12  10.170   5.127   4.045
   92    HA   ILE  12           HA       ILE  12  12.615   5.617   5.319
   93    HB   ILE  12           HB       ILE  12  12.983   5.562   2.983
   94   1HG1  ILE  12          HG12      ILE  12  11.951   4.609   2.233
   95   2HG1  ILE  12          HG11      ILE  12  12.876   4.071   2.278
   96   1HG2  ILE  12          HG21      ILE  12  14.032   4.524   3.727
   97   2HG2  ILE  12          HG22      ILE  12  13.771   4.200   3.414
   98   3HG2  ILE  12          HG23      ILE  12  13.611   4.275   3.905
   99   1HD1  ILE  12          HD11      ILE  12  11.255   2.765   2.671
  100   2HD1  ILE  12          HD12      ILE  12  11.269   2.815   2.908
  101   3HD1  ILE  12          HD13      ILE  12  11.462   2.746   2.878
  102    H    GLY  13           HN       GLY  13  13.814   7.411   4.161
  103   1HA   GLY  13          HA2       GLY  13  12.271   9.629   4.076
  104   2HA   GLY  13          HA1       GLY  13  13.889   9.657   4.170
  105    H    GLU  14           HN       GLU  14  12.682  11.270   2.483
  106    HA   GLU  14           HA       GLU  14  12.623  10.404   0.021
  107   1HB   GLU  14          HB2       GLU  14  12.109  12.669   0.598
  108   2HB   GLU  14          HB1       GLU  14  12.501  12.733   0.232
  109   1HG   GLU  14          HG2       GLU  14  11.937  12.651  -0.355
  110   2HG   GLU  14          HG1       GLU  14  11.723  12.350  -0.006
  111    H    GLY  15           HN       GLY  15  15.023   9.788   0.242
  112   1HA   GLY  15          HA2       GLY  15  16.502  10.683  -1.374
  113   2HA   GLY  15          HA1       GLY  15  16.905  11.427  -0.021
  114    H    ILE  16           HN       ILE  16  16.195   8.724   1.091
  115    HA   ILE  16           HA       ILE  16  18.822   7.698   1.008
  116    HB   ILE  16           HB       ILE  16  18.334   6.498   2.982
  117   1HG1  ILE  16          HG12      ILE  16  15.736   7.237   3.408
  118   2HG1  ILE  16          HG11      ILE  16  15.760   6.454   2.300
  119   1HG2  ILE  16          HG21      ILE  16  18.061   8.683   3.746
  120   2HG2  ILE  16          HG22      ILE  16  17.772   8.825   3.696
  121   3HG2  ILE  16          HG23      ILE  16  18.012   8.805   3.458
  122   1HD1  ILE  16          HD11      ILE  16  16.068   5.488   4.079
  123   2HD1  ILE  16          HD12      ILE  16  16.194   5.385   3.727
  124   3HD1  ILE  16          HD13      ILE  16  16.066   5.467   3.753
  125    H    ARG  17           HN       ARG  17  18.134   5.178   1.453
  126    HA   ARG  17           HA       ARG  17  17.702   3.949  -0.904
  127   1HB   ARG  17          HB2       ARG  17  18.513   2.845   1.335
  128   2HB   ARG  17          HB1       ARG  17  17.718   2.246   1.101
  129   1HG   ARG  17          HG2       ARG  17  18.618   2.186   0.060
  130   2HG   ARG  17          HG1       ARG  17  18.993   2.076   0.314
  131   1HD   ARG  17          HD2       ARG  17  19.319   1.259   0.463
  132   2HD   ARG  17          HD1       ARG  17  19.266   1.128   0.691
  133    HE   ARG  17           HE       ARG  17  19.100   0.769   0.415
  134   1HH1  ARG  17          HH11      ARG  17  19.813  -0.199   0.284
  135   2HH1  ARG  17          HH12      ARG  17  20.125  -1.295   0.118
  136   1HH2  ARG  17          HH21      ARG  17  19.509  -0.670   0.197
  137   2HH2  ARG  17          HH22      ARG  17  19.952  -1.562   0.068
  138    H    GLU  18           HN       GLU  18  15.974   2.642  -1.571
  139    HA   GLU  18           HA       GLU  18  13.435   3.373  -0.333
  140   1HB   GLU  18          HB2       GLU  18  14.132   2.307  -3.055
  141   2HB   GLU  18          HB1       GLU  18  12.488   2.480  -2.491
  142   1HG   GLU  18          HG2       GLU  18  12.731   4.547  -3.128
  143   2HG   GLU  18          HG1       GLU  18  13.681   4.860  -2.208
  144    H    VAL  19           HN       VAL  19  11.686   1.528  -0.608
  145    HA   VAL  19           HA       VAL  19  12.990  -0.972   0.270
  146    HB   VAL  19           HB       VAL  19  11.964   0.260   2.157
  147   1HG1  VAL  19          HG11      VAL  19   9.740   0.570   1.512
  148   2HG1  VAL  19          HG12      VAL  19   9.568   0.207   1.429
  149   3HG1  VAL  19          HG13      VAL  19   9.699   0.448   1.122
  150   1HG2  VAL  19          HG21      VAL  19  11.224  -2.172   2.044
  151   2HG2  VAL  19          HG22      VAL  19  11.050  -1.998   2.419
  152   3HG2  VAL  19          HG23      VAL  19  11.494  -2.046   2.378
  153    H    THR  20           HN       THR  20  12.021  -2.925  -0.180
  154    HA   THR  20           HA       THR  20  10.218  -2.883  -2.483
  155    HB   THR  20           HB       THR  20  11.504  -5.323  -1.566
  156    HG1  THR  20           HG1      THR  20  13.178  -4.720  -2.082
  157   1HG2  THR  20          HG21      THR  20  11.048  -5.445  -3.699
  158   2HG2  THR  20          HG22      THR  20  11.051  -5.128  -3.776
  159   3HG2  THR  20          HG23      THR  20  10.777  -5.262  -3.663
  160    H    VAL  21           HN       VAL  21   8.499  -4.454  -2.611
  161    HA   VAL  21           HA       VAL  21   7.050  -4.623  -0.123
  162    HB   VAL  21           HB       VAL  21   6.278  -5.756  -2.811
  163   1HG1  VAL  21          HG11      VAL  21   4.643  -5.884  -0.989
  164   2HG1  VAL  21          HG12      VAL  21   4.534  -5.922  -1.175
  165   3HG1  VAL  21          HG13      VAL  21   4.516  -5.728  -1.074
  166   1HG2  VAL  21          HG21      VAL  21   5.657  -3.371  -2.424
  167   2HG2  VAL  21          HG22      VAL  21   5.667  -3.455  -2.664
  168   3HG2  VAL  21          HG23      VAL  21   5.875  -3.348  -2.558
  169    H    LYS  22           HN       LYS  22   6.919  -6.340   1.185
  170    HA   LYS  22           HA       LYS  22   8.361  -8.755   0.419
  171   1HB   LYS  22          HB2       LYS  22   8.513  -7.397   2.695
  172   2HB   LYS  22          HB1       LYS  22   7.306  -8.442   3.126
  173   1HG   LYS  22          HG2       LYS  22   9.146  -9.497   2.951
  174   2HG   LYS  22          HG1       LYS  22   9.227  -9.541   2.734
  175   1HD   LYS  22          HD2       LYS  22   9.784  -9.581   2.968
  176   2HD   LYS  22          HD1       LYS  22   9.693  -9.648   3.089
  177   1HE   LYS  22          HE2       LYS  22  10.415 -10.771   3.212
  178   2HE   LYS  22          HE1       LYS  22  10.600 -10.564   3.100
  179   1HZ   LYS  22          HZ1       LYS  22  11.275 -11.038   3.698
  180   2HZ   LYS  22          HZ2       LYS  22  11.137 -10.936   3.630
  181   3HZ   LYS  22          HZ3       LYS  22  11.180 -10.899   3.539
  182    H    GLU  23           HN       GLU  23   5.153  -7.648   1.234
  183    HA   GLU  23           HA       GLU  23   4.133 -10.290   0.512
  184   1HB   GLU  23          HB2       GLU  23   3.901  -9.220   3.082
  185   2HB   GLU  23          HB1       GLU  23   2.539  -9.362   2.506
  186   1HG   GLU  23          HG2       GLU  23   3.268 -11.102   2.589
  187   2HG   GLU  23          HG1       GLU  23   3.648 -11.127   2.838
  188    H    TRP  24           HN       TRP  24   2.498 -10.229  -0.862
  189    HA   TRP  24           HA       TRP  24   0.952  -7.750  -1.160
  190   1HB   TRP  24          HB2       TRP  24   2.503  -9.251  -3.176
  191   2HB   TRP  24          HB1       TRP  24   0.897  -8.757  -3.683
  192    HD1  TRP  24           HD1      TRP  24   4.270  -7.572  -3.827
  193    HE1  TRP  24           HE1      TRP  24   4.393  -5.025  -4.145
  194    HE3  TRP  24           HE3      TRP  24  -0.520  -6.378  -2.605
  195    HZ2  TRP  24           HZ2      TRP  24   2.685  -2.804  -3.907
  196    HZ3  TRP  24           HZ3      TRP  24  -1.195  -4.018  -2.673
  197    HH2  TRP  24           HH2      TRP  24   0.375  -2.269  -3.310
  198    H    TYR  25           HN       TYR  25  -1.125  -8.152  -0.703
  199    HA   TYR  25           HA       TYR  25  -2.188 -10.815  -1.380
  200   1HB   TYR  25          HB2       TYR  25  -2.231  -9.370   1.127
  201   2HB   TYR  25          HB1       TYR  25  -3.794  -9.868   0.635
  202    HD1  TYR  25           HD1      TYR  25  -4.011 -12.135   0.356
  203    HD2  TYR  25           HD2      TYR  25  -0.911 -10.975   1.844
  204    HE1  TYR  25           HE1      TYR  25  -3.572 -14.332   1.199
  205    HE2  TYR  25           HE2      TYR  25  -0.463 -13.170   2.690
  206    HH   TYR  25           HH       TYR  25  -1.783 -15.437   2.578
  207    H    VAL  26           HN       VAL  26  -2.304  -8.261  -2.899
  208    HA   VAL  26           HA       VAL  26  -5.117  -8.351  -3.496
  209    HB   VAL  26           HB       VAL  26  -5.493  -5.976  -3.358
  210   1HG1  VAL  26          HG11      VAL  26  -5.249  -6.649  -1.106
  211   2HG1  VAL  26          HG12      VAL  26  -5.112  -6.538  -1.060
  212   3HG1  VAL  26          HG13      VAL  26  -5.105  -6.734  -1.030
  213   1HG2  VAL  26          HG21      VAL  26  -3.398  -5.039  -2.898
  214   2HG2  VAL  26          HG22      VAL  26  -3.215  -5.166  -3.100
  215   3HG2  VAL  26          HG23      VAL  26  -3.174  -5.235  -2.814
  216    H    LYS  27           HN       LYS  27  -5.649  -7.158  -5.508
  217    HA   LYS  27           HA       LYS  27  -3.370  -6.644  -7.244
  218   1HB   LYS  27          HB2       LYS  27  -5.278  -8.802  -7.592
  219   2HB   LYS  27          HB1       LYS  27  -4.866  -8.012  -8.945
  220   1HG   LYS  27          HG2       LYS  27  -3.038  -8.884  -7.853
  221   2HG   LYS  27          HG1       LYS  27  -3.449  -9.472  -7.988
  222   1HD   LYS  27          HD2       LYS  27  -2.874  -9.733  -8.772
  223   2HD   LYS  27          HD1       LYS  27  -2.967  -9.152  -9.039
  224   1HE   LYS  27          HE2       LYS  27  -1.207  -9.246  -9.240
  225   2HE   LYS  27          HE1       LYS  27  -1.152  -9.721  -8.658
  226   1HZ   LYS  27          HZ1       LYS  27  -1.099 -10.172  -9.567
  227   2HZ   LYS  27          HZ2       LYS  27  -0.801 -10.266  -9.559
  228   3HZ   LYS  27          HZ3       LYS  27  -0.627 -10.445  -9.824
  229    H    GLU  28           HN       GLU  28  -4.030  -5.668  -9.331
  230    HA   GLU  28           HA       GLU  28  -5.564  -3.385  -8.972
  231   1HB   GLU  28          HB2       GLU  28  -5.287  -4.622 -11.689
  232   2HB   GLU  28          HB1       GLU  28  -5.224  -2.931 -11.241
  233   1HG   GLU  28          HG2       GLU  28  -3.045  -3.428 -10.582
  234   2HG   GLU  28          HG1       GLU  28  -3.132  -4.582 -10.592
  235    H    GLY  29           HN       GLY  29  -7.690  -2.877  -9.211
  236   1HA   GLY  29          HA2       GLY  29  -9.933  -3.139  -9.680
  237   2HA   GLY  29          HA1       GLY  29  -9.509  -4.506 -10.697
  238    H    ASP  30           HN       ASP  30  -8.147  -4.996  -7.704
  239    HA   ASP  30           HA       ASP  30 -10.274  -6.870  -7.002
  240   1HB   ASP  30          HB2       ASP  30  -7.610  -7.209  -6.982
  241   2HB   ASP  30          HB1       ASP  30  -7.861  -7.005  -5.506
  242    H    THR  31           HN       THR  31 -11.003  -7.093  -4.834
  243    HA   THR  31           HA       THR  31 -11.035  -4.535  -3.410
  244    HB   THR  31           HB       THR  31 -12.808  -6.880  -2.793
  245    HG1  THR  31           HG1      THR  31 -13.696  -5.935  -4.610
  246   1HG2  THR  31          HG21      THR  31 -13.285  -4.628  -1.881
  247   2HG2  THR  31          HG22      THR  31 -13.367  -4.801  -1.743
  248   3HG2  THR  31          HG23      THR  31 -13.503  -4.713  -1.914
  249    H    VAL  32           HN       VAL  32 -10.650  -4.406  -1.203
  250    HA   VAL  32           HA       VAL  32  -9.011  -6.574  -0.114
  251    HB   VAL  32           HB       VAL  32  -8.681  -4.378   1.565
  252   1HG1  VAL  32          HG11      VAL  32  -6.749  -5.109   0.381
  253   2HG1  VAL  32          HG12      VAL  32  -6.794  -5.192   0.168
  254   3HG1  VAL  32          HG13      VAL  32  -6.814  -5.332   0.354
  255   1HG2  VAL  32          HG21      VAL  32  -8.714  -2.968  -0.456
  256   2HG2  VAL  32          HG22      VAL  32  -8.750  -2.935  -0.365
  257   3HG2  VAL  32          HG23      VAL  32  -8.814  -2.983  -0.430
  258    H    SER  33           HN       SER  33  -9.106  -6.868   2.250
  259    HA   SER  33           HA       SER  33 -11.728  -6.240   3.401
  260   1HB   SER  33          HB2       SER  33 -10.827  -8.831   3.125
  261   2HB   SER  33          HB1       SER  33 -11.436  -8.662   4.081
  262    HG   SER  33           HG       SER  33 -12.447  -8.770   2.922
  263    H    GLN  34           HN       GLN  34 -11.741  -6.734   5.794
  264    HA   GLN  34           HA       GLN  34  -9.758  -5.290   7.082
  265   1HB   GLN  34          HB2       GLN  34 -11.800  -6.519   8.150
  266   2HB   GLN  34          HB1       GLN  34 -11.160  -6.691   8.721
  267   1HG   GLN  34          HG2       GLN  34 -11.017  -5.489   8.961
  268   2HG   GLN  34          HG1       GLN  34 -11.682  -5.266   8.502
  269   1HE2  GLN  34          HE21      GLN  34 -12.647  -6.233   9.285
  270   2HE2  GLN  34          HE22      GLN  34 -13.567  -6.264  10.178
  271    H    PHE  35           HN       PHE  35  -9.947  -8.663   6.338
  272    HA   PHE  35           HA       PHE  35  -7.614  -9.236   7.980
  273   1HB   PHE  35          HB2       PHE  35  -9.312 -10.977   7.356
  274   2HB   PHE  35          HB1       PHE  35  -8.853 -11.266   7.038
  275    HD1  PHE  35           HD1      PHE  35  -9.897 -10.818   8.667
  276    HD2  PHE  35           HD2      PHE  35  -7.834 -12.214   7.060
  277    HE1  PHE  35           HE1      PHE  35  -9.937 -11.811   9.492
  278    HE2  PHE  35           HE2      PHE  35  -7.871 -13.210   7.881
  279    HZ   PHE  35           HZ       PHE  35  -8.929 -13.014   9.097
  280    H    ASP  36           HN       ASP  36  -8.484  -8.633   4.735
  281    HA   ASP  36           HA       ASP  36  -6.060  -9.883   3.702
  282   1HB   ASP  36          HB2       ASP  36  -8.603  -9.261   2.584
  283   2HB   ASP  36          HB1       ASP  36  -7.413  -8.601   1.652
  284    H    SER  37           HN       SER  37  -4.390  -8.588   4.329
  285    HA   SER  37           HA       SER  37  -4.411  -5.771   4.264
  286   1HB   SER  37          HB2       SER  37  -1.911  -6.709   4.223
  287   2HB   SER  37          HB1       SER  37  -2.471  -6.395   5.240
  288    HG   SER  37           HG       SER  37  -1.989  -8.090   5.098
  289    H    ILE  38           HN       ILE  38  -3.114  -4.388   2.850
  290    HA   ILE  38           HA       ILE  38  -3.481  -5.163   0.079
  291    HB   ILE  38           HB       ILE  38  -2.513  -2.549   1.214
  292   1HG1  ILE  38          HG12      ILE  38  -5.207  -3.602   0.503
  293   2HG1  ILE  38          HG11      ILE  38  -4.710  -2.796   1.947
  294   1HG2  ILE  38          HG21      ILE  38  -2.674  -2.468  -1.154
  295   2HG2  ILE  38          HG22      ILE  38  -2.892  -2.590  -1.254
  296   3HG2  ILE  38          HG23      ILE  38  -2.660  -2.725  -1.238
  297   1HD1  ILE  38          HD11      ILE  38  -5.414  -1.194   0.424
  298   2HD1  ILE  38          HD12      ILE  38  -5.391  -1.324   0.029
  299   3HD1  ILE  38          HD13      ILE  38  -5.052  -1.146   0.213
  300    H    CYS  39           HN       CYS  39  -0.798  -3.382   1.561
  301    HA   CYS  39           HA       CYS  39   1.055  -5.239   0.270
  302   1HB   CYS  39          HB2       CYS  39   1.904  -3.180  -0.472
  303   2HB   CYS  39          HB1       CYS  39   1.211  -3.048  -0.568
  304    HG   CYS  39           HG       CYS  39   1.828  -1.901  -0.103
  305    H    GLU  40           HN       GLU  40   3.072  -5.504   1.254
  306    HA   GLU  40           HA       GLU  40   3.414  -4.284   3.878
  307   1HB   GLU  40          HB2       GLU  40   3.340  -7.084   3.487
  308   2HB   GLU  40          HB1       GLU  40   4.035  -6.605   4.461
  309   1HG   GLU  40          HG2       GLU  40   2.530  -6.103   5.200
  310   2HG   GLU  40          HG1       GLU  40   1.901  -6.363   4.451
  311    H    VAL  41           HN       VAL  41   5.400  -3.490   4.108
  312    HA   VAL  41           HA       VAL  41   7.542  -4.591   2.416
  313    HB   VAL  41           HB       VAL  41   8.546  -2.393   2.289
  314   1HG1  VAL  41          HG11      VAL  41   6.354  -2.500   1.016
  315   2HG1  VAL  41          HG12      VAL  41   6.767  -2.159   0.851
  316   3HG1  VAL  41          HG13      VAL  41   6.338  -1.955   1.145
  317   1HG2  VAL  41          HG21      VAL  41   6.958  -1.104   3.694
  318   2HG2  VAL  41          HG22      VAL  41   7.313  -1.004   3.772
  319   3HG2  VAL  41          HG23      VAL  41   7.141  -1.259   3.986
  320    H    GLN  42           HN       GLN  42   9.599  -4.768   3.302
  321    HA   GLN  42           HA       GLN  42   9.839  -4.231   6.172
  322   1HB   GLN  42          HB2       GLN  42  10.461  -6.802   4.771
  323   2HB   GLN  42          HB1       GLN  42  11.107  -6.416   6.320
  324   1HG   GLN  42          HG2       GLN  42   8.815  -6.315   6.941
  325   2HG   GLN  42          HG1       GLN  42   8.441  -6.776   5.774
  326   1HE2  GLN  42          HE21      GLN  42   7.278  -7.833   7.405
  327   2HE2  GLN  42          HE22      GLN  42   7.861  -9.050   7.687
  328    H    SER  43           HN       SER  43  11.599  -3.121   6.640
  329    HA   SER  43           HA       SER  43  13.849  -3.180   4.773
  330   1HB   SER  43          HB2       SER  43  12.806  -1.004   5.301
  331   2HB   SER  43          HB1       SER  43  13.356  -0.936   6.111
  332    HG   SER  43           HG       SER  43  14.119  -0.425   4.843
  333    H    ASP  44           HN       ASP  44  15.965  -2.980   5.642
  334    HA   ASP  44           HA       ASP  44  16.553  -4.572   7.759
  335   1HB   ASP  44          HB2       ASP  44  18.292  -3.202   6.632
  336   2HB   ASP  44          HB1       ASP  44  18.411  -3.019   7.024
  337    H    LYS  45           HN       LYS  45  15.726  -1.229   7.781
  338    HA   LYS  45           HA       LYS  45  16.525  -0.777  10.449
  339   1HB   LYS  45          HB2       LYS  45  15.775   1.078   9.340
  340   2HB   LYS  45          HB1       LYS  45  15.512   0.869   9.049
  341   1HG   LYS  45          HG2       LYS  45  15.173   1.242   9.437
  342   2HG   LYS  45          HG1       LYS  45  15.228   1.547   9.449
  343   1HD   LYS  45          HD2       LYS  45  15.000   2.968   9.402
  344   2HD   LYS  45          HD1       LYS  45  15.274   2.813   8.698
  345   1HE   LYS  45          HE2       LYS  45  13.858   3.202   8.064
  346   2HE   LYS  45          HE1       LYS  45  13.638   3.200   8.877
  347   1HZ   LYS  45          HZ1       LYS  45  14.434   4.156   9.093
  348   2HZ   LYS  45          HZ2       LYS  45  14.378   4.372   8.723
  349   3HZ   LYS  45          HZ3       LYS  45  14.639   4.081   8.864
  350    H    ALA  46           HN       ALA  46  13.319  -0.812   8.947
  351    HA   ALA  46           HA       ALA  46  12.260  -2.151  11.273
  352   1HB   ALA  46          HB1       ALA  46  10.978  -0.086  11.215
  353   2HB   ALA  46          HB2       ALA  46  11.300   0.167  11.007
  354   3HB   ALA  46          HB3       ALA  46  11.365   0.027  11.439
  355    H    SER  47           HN       SER  47  10.110  -2.998  10.942
  356    HA   SER  47           HA       SER  47   9.574  -3.534   8.116
  357   1HB   SER  47          HB2       SER  47   8.581  -5.299   9.867
  358   2HB   SER  47          HB1       SER  47   9.140  -5.539   9.046
  359    HG   SER  47           HG       SER  47   9.679  -5.793  10.449
  360    H    VAL  48           HN       VAL  48   7.692  -2.912   7.254
  361    HA   VAL  48           HA       VAL  48   5.605  -1.932   9.049
  362    HB   VAL  48           HB       VAL  48   5.944  -0.778   6.381
  363   1HG1  VAL  48          HG11      VAL  48   4.457   0.150   7.815
  364   2HG1  VAL  48          HG12      VAL  48   4.716   0.525   7.668
  365   3HG1  VAL  48          HG13      VAL  48   4.731   0.367   8.180
  366   1HG2  VAL  48          HG21      VAL  48   7.477   0.258   7.919
  367   2HG2  VAL  48          HG22      VAL  48   7.556   0.305   7.565
  368   3HG2  VAL  48          HG23      VAL  48   7.586  -0.057   7.775
  369    H    THR  49           HN       THR  49   3.591  -2.591   8.693
  370    HA   THR  49           HA       THR  49   3.011  -4.123   6.263
  371    HB   THR  49           HB       THR  49   1.574  -5.599   7.553
  372    HG1  THR  49           HG1      THR  49   1.653  -4.672   9.673
  373   1HG2  THR  49          HG21      THR  49   3.779  -6.272   8.114
  374   2HG2  THR  49          HG22      THR  49   3.734  -6.189   8.520
  375   3HG2  THR  49          HG23      THR  49   3.957  -5.932   8.280
  376    H    ILE  50           HN       ILE  50   1.258  -3.468   5.156
  377    HA   ILE  50           HA       ILE  50  -0.369  -1.362   6.362
  378    HB   ILE  50           HB       ILE  50  -0.254  -2.177   3.473
  379   1HG1  ILE  50          HG12      ILE  50   1.801  -1.135   4.157
  380   2HG1  ILE  50          HG11      ILE  50   1.198  -0.270   3.438
  381   1HG2  ILE  50          HG21      ILE  50  -1.761  -0.401   4.030
  382   2HG2  ILE  50          HG22      ILE  50  -1.594  -0.251   3.806
  383   3HG2  ILE  50          HG23      ILE  50  -1.603  -0.133   4.106
  384   1HD1  ILE  50          HD11      ILE  50   1.466   0.247   5.132
  385   2HD1  ILE  50          HD12      ILE  50   1.435   0.419   5.129
  386   3HD1  ILE  50          HD13      ILE  50   1.462   0.297   5.043
  387    H    THR  51           HN       THR  51  -2.081  -2.117   7.382
  388    HA   THR  51           HA       THR  51  -3.530  -4.418   6.380
  389    HB   THR  51           HB       THR  51  -4.819  -3.744   8.493
  390    HG1  THR  51           HG1      THR  51  -3.700  -2.563   9.410
  391   1HG2  THR  51          HG21      THR  51  -3.269  -4.916   9.110
  392   2HG2  THR  51          HG22      THR  51  -3.337  -5.059   8.876
  393   3HG2  THR  51          HG23      THR  51  -3.572  -4.935   8.968
  394    H    SER  52           HN       SER  52  -6.061  -4.068   6.694
  395    HA   SER  52           HA       SER  52  -6.713  -1.755   5.046
  396   1HB   SER  52          HB2       SER  52  -7.769  -4.197   4.897
  397   2HB   SER  52          HB1       SER  52  -8.591  -3.518   4.707
  398    HG   SER  52           HG       SER  52  -7.759  -3.409   3.508
  399    H    ARG  53           HN       ARG  53  -8.035  -3.673   7.693
  400    HA   ARG  53           HA       ARG  53  -9.329  -3.134   9.458
  401   1HB   ARG  53          HB2       ARG  53  -9.014  -0.919  10.032
  402   2HB   ARG  53          HB1       ARG  53  -8.112  -1.076   9.576
  403   1HG   ARG  53          HG2       ARG  53  -8.377   0.399   8.637
  404   2HG   ARG  53          HG1       ARG  53  -9.124   0.259   8.915
  405   1HD   ARG  53          HD2       ARG  53  -8.959  -0.028   9.860
  406   2HD   ARG  53          HD1       ARG  53  -8.778  -0.111   9.538
  407    HE   ARG  53           HE       ARG  53  -8.477   0.335  10.527
  408   1HH1  ARG  53          HH11      ARG  53  -8.773   0.117  11.008
  409   2HH1  ARG  53          HH12      ARG  53  -8.586   0.391  12.166
  410   1HH2  ARG  53          HH21      ARG  53  -8.227   0.697  12.050
  411   2HH2  ARG  53          HH22      ARG  53  -8.275   0.721  12.758
  412    H    TYR  54           HN       TYR  54 -10.172  -2.850   6.400
  413    HA   TYR  54           HA       TYR  54 -12.923  -2.852   6.820
  414   1HB   TYR  54          HB2       TYR  54 -11.749  -0.249   6.417
  415   2HB   TYR  54          HB1       TYR  54 -12.881  -0.609   5.206
  416    HD1  TYR  54           HD1      TYR  54 -12.555   0.923   7.955
  417    HD2  TYR  54           HD2      TYR  54 -15.007  -1.742   6.420
  418    HE1  TYR  54           HE1      TYR  54 -14.314   1.558   9.429
  419    HE2  TYR  54           HE2      TYR  54 -16.773  -1.114   7.890
  420    HH   TYR  54           HH       TYR  54 -16.814   0.693   9.807
  421    H    ASP  55           HN       ASP  55 -14.063  -2.687   4.562
  422    HA   ASP  55           HA       ASP  55 -12.323  -4.130   2.713
  423   1HB   ASP  55          HB2       ASP  55 -14.851  -4.353   2.139
  424   2HB   ASP  55          HB1       ASP  55 -14.397  -5.042   2.449
  425    H    GLY  56           HN       GLY  56 -11.495  -3.139   1.021
  426   1HA   GLY  56          HA2       GLY  56 -12.935  -0.815  -0.075
  427   2HA   GLY  56          HA1       GLY  56 -11.211  -0.739   0.239
  428    H    VAL  57           HN       VAL  57 -12.198  -0.163  -2.247
  429    HA   VAL  57           HA       VAL  57 -11.683  -2.571  -3.846
  430    HB   VAL  57           HB       VAL  57 -12.777   0.067  -4.798
  431   1HG1  VAL  57          HG11      VAL  57 -12.691  -1.509  -6.547
  432   2HG1  VAL  57          HG12      VAL  57 -12.772  -1.835  -6.411
  433   3HG1  VAL  57          HG13      VAL  57 -12.422  -1.724  -6.426
  434   1HG2  VAL  57          HG21      VAL  57 -14.469  -1.670  -4.110
  435   2HG2  VAL  57          HG22      VAL  57 -14.587  -1.308  -4.158
  436   3HG2  VAL  57          HG23      VAL  57 -14.429  -1.418  -3.823
  437    H    ILE  58           HN       ILE  58  -9.756  -2.848  -4.718
  438    HA   ILE  58           HA       ILE  58  -7.959  -0.550  -5.041
  439    HB   ILE  58           HB       ILE  58  -7.228  -3.462  -5.311
  440   1HG1  ILE  58          HG12      ILE  58  -6.963  -1.742  -2.865
  441   2HG1  ILE  58          HG11      ILE  58  -8.215  -2.917  -3.084
  442   1HG2  ILE  58          HG21      ILE  58  -5.346  -2.008  -5.284
  443   2HG2  ILE  58          HG22      ILE  58  -5.399  -1.751  -5.168
  444   3HG2  ILE  58          HG23      ILE  58  -5.447  -1.793  -5.449
  445   1HD1  ILE  58          HD11      ILE  58  -6.269  -4.094  -2.553
  446   2HD1  ILE  58          HD12      ILE  58  -6.043  -3.805  -2.485
  447   3HD1  ILE  58          HD13      ILE  58  -6.014  -3.999  -2.815
  448    H    LYS  59           HN       LYS  59  -7.578   0.257  -6.995
  449    HA   LYS  59           HA       LYS  59  -8.673  -1.165  -9.294
  450   1HB   LYS  59          HB2       LYS  59  -9.277   1.157  -8.915
  451   2HB   LYS  59          HB1       LYS  59  -7.891   1.622  -9.152
  452   1HG   LYS  59          HG2       LYS  59  -8.091   0.928 -11.094
  453   2HG   LYS  59          HG1       LYS  59  -9.367   0.599 -10.844
  454   1HD   LYS  59          HD2       LYS  59  -9.558   2.799 -10.577
  455   2HD   LYS  59          HD1       LYS  59  -8.724   2.867 -11.177
  456   1HE   LYS  59          HE2       LYS  59  -9.753   2.520 -12.152
  457   2HE   LYS  59          HE1       LYS  59  -9.988   2.597 -12.042
  458   1HZ   LYS  59          HZ1       LYS  59 -10.171   3.181 -11.938
  459   2HZ   LYS  59          HZ2       LYS  59 -10.160   3.151 -12.272
  460   3HZ   LYS  59          HZ3       LYS  59 -10.074   3.411 -12.274
  461    H    LYS  60           HN       LYS  60  -5.573   0.242  -8.264
  462    HA   LYS  60           HA       LYS  60  -4.321  -1.369 -10.325
  463   1HB   LYS  60          HB2       LYS  60  -3.247   0.467 -11.245
  464   2HB   LYS  60          HB1       LYS  60  -4.637   0.848 -11.310
  465   1HG   LYS  60          HG2       LYS  60  -2.928   1.780 -10.044
  466   2HG   LYS  60          HG1       LYS  60  -3.661   2.336 -10.925
  467   1HD   LYS  60          HD2       LYS  60  -4.876   2.011  -8.733
  468   2HD   LYS  60          HD1       LYS  60  -3.895   3.049  -8.737
  469   1HE   LYS  60          HE2       LYS  60  -5.772   2.999 -10.259
  470   2HE   LYS  60          HE1       LYS  60  -5.700   3.849  -9.098
  471   1HZ   LYS  60          HZ1       LYS  60  -4.869   4.304 -10.764
  472   2HZ   LYS  60          HZ2       LYS  60  -4.481   4.552 -10.696
  473   3HZ   LYS  60          HZ3       LYS  60  -4.777   4.691 -10.785
  474    H    LEU  61           HN       LEU  61  -2.253  -1.950  -9.991
  475    HA   LEU  61           HA       LEU  61  -0.866  -0.946  -7.624
  476   1HB   LEU  61          HB2       LEU  61  -1.361  -3.820  -8.310
  477   2HB   LEU  61          HB1       LEU  61  -0.148  -3.310  -7.192
  478    HG   LEU  61           HG       LEU  61  -2.808  -2.424  -6.602
  479   1HD1  LEU  61          HD11      LEU  61  -2.681  -4.673  -6.179
  480   2HD1  LEU  61          HD12      LEU  61  -2.859  -4.678  -6.772
  481   3HD1  LEU  61          HD13      LEU  61  -3.236  -4.386  -6.320
  482   1HD2  LEU  61          HD21      LEU  61  -1.629  -2.963  -4.844
  483   2HD2  LEU  61          HD22      LEU  61  -1.551  -2.586  -5.057
  484   3HD2  LEU  61          HD23      LEU  61  -1.169  -2.828  -4.999
  485    H    TYR  62           HN       TYR  62   1.107  -0.350  -8.216
  486    HA   TYR  62           HA       TYR  62   2.191  -1.251 -10.744
  487   1HB   TYR  62          HB2       TYR  62   1.926   1.206 -10.035
  488   2HB   TYR  62          HB1       TYR  62   3.370   0.954  -9.155
  489    HD1  TYR  62           HD1      TYR  62   5.218   0.837 -10.327
  490    HD2  TYR  62           HD2      TYR  62   2.148   1.026 -12.320
  491    HE1  TYR  62           HE1      TYR  62   6.510   1.278 -12.293
  492    HE2  TYR  62           HE2      TYR  62   3.430   1.466 -14.291
  493    HH   TYR  62           HH       TYR  62   5.842   1.848 -14.722
  494    H    TYR  63           HN       TYR  63   3.171  -0.946  -7.364
  495    HA   TYR  63           HA       TYR  63   5.688  -2.267  -7.953
  496   1HB   TYR  63          HB2       TYR  63   4.637  -1.194  -5.346
  497   2HB   TYR  63          HB1       TYR  63   6.252  -1.797  -5.621
  498    HD1  TYR  63           HD1      TYR  63   4.596   0.938  -5.606
  499    HD2  TYR  63           HD2      TYR  63   7.212  -0.482  -7.480
  500    HE1  TYR  63           HE1      TYR  63   5.305   3.176  -6.288
  501    HE2  TYR  63           HE2      TYR  63   7.929   1.751  -8.168
  502    HH   TYR  63           HH       TYR  63   7.128   4.088  -7.968
  503    H    ASN  64           HN       ASN  64   6.247  -4.278  -7.346
  504    HA   ASN  64           HA       ASN  64   4.190  -5.933  -6.064
  505   1HB   ASN  64          HB2       ASN  64   6.269  -6.758  -8.087
  506   2HB   ASN  64          HB1       ASN  64   5.121  -7.842  -7.318
  507   1HD2  ASN  64          HD21      ASN  64   3.504  -7.916  -8.484
  508   2HD2  ASN  64          HD22      ASN  64   2.766  -7.065  -9.692
  509    H    LEU  65           HN       LEU  65   5.492  -8.154  -5.511
  510    HA   LEU  65           HA       LEU  65   6.792  -7.717  -3.133
  511   1HB   LEU  65          HB2       LEU  65   6.683 -10.029  -5.022
  512   2HB   LEU  65          HB1       LEU  65   7.600 -10.125  -3.552
  513    HG   LEU  65           HG       LEU  65   4.981  -9.201  -2.935
  514   1HD1  LEU  65          HD11      LEU  65   4.475 -11.068  -4.452
  515   2HD1  LEU  65          HD12      LEU  65   4.315 -10.880  -4.393
  516   3HD1  LEU  65          HD13      LEU  65   4.372 -11.039  -4.192
  517   1HD2  LEU  65          HD21      LEU  65   5.804 -10.911  -1.781
  518   2HD2  LEU  65          HD22      LEU  65   6.083 -10.988  -1.789
  519   3HD2  LEU  65          HD23      LEU  65   5.898 -11.203  -1.795
  520    H    ASP  66           HN       ASP  66   8.097  -7.607  -6.335
  521    HA   ASP  66           HA       ASP  66  10.829  -7.784  -5.286
  522   1HB   ASP  66          HB2       ASP  66   9.798  -8.733  -7.612
  523   2HB   ASP  66          HB1       ASP  66  10.680  -7.694  -8.052
  524    H    ASP  67           HN       ASP  67   8.589  -5.550  -6.731
  525    HA   ASP  67           HA       ASP  67  10.580  -3.650  -7.508
  526   1HB   ASP  67          HB2       ASP  67   7.722  -3.382  -7.365
  527   2HB   ASP  67          HB1       ASP  67   8.518  -2.287  -7.793
  528    H    ILE  68           HN       ILE  68  10.970  -1.619  -6.650
  529    HA   ILE  68           HA       ILE  68  10.598  -1.421  -3.737
  530    HB   ILE  68           HB       ILE  68  12.512   0.287  -5.240
  531   1HG1  ILE  68          HG12      ILE  68  12.862  -2.094  -5.804
  532   2HG1  ILE  68          HG11      ILE  68  14.214  -1.337  -5.223
  533   1HG2  ILE  68          HG21      ILE  68  12.936   0.244  -3.004
  534   2HG2  ILE  68          HG22      ILE  68  12.871  -0.184  -2.812
  535   3HG2  ILE  68          HG23      ILE  68  12.503   0.133  -2.798
  536   1HD1  ILE  68          HD11      ILE  68  12.992  -2.937  -3.751
  537   2HD1  ILE  68          HD12      ILE  68  13.724  -2.606  -3.499
  538   3HD1  ILE  68          HD13      ILE  68  13.739  -3.225  -4.101
  539    H    ALA  69           HN       ALA  69   9.726   0.355  -2.833
  540    HA   ALA  69           HA       ALA  69   8.558   2.298  -4.687
  541   1HB   ALA  69          HB1       ALA  69   7.227   1.879  -2.634
  542   2HB   ALA  69          HB2       ALA  69   7.200   1.580  -2.775
  543   3HB   ALA  69          HB3       ALA  69   7.044   1.844  -2.908
  544    H    TYR  70           HN       TYR  70   8.599   4.492  -4.167
  545    HA   TYR  70           HA       TYR  70  10.694   5.255  -2.271
  546   1HB   TYR  70          HB2       TYR  70  10.417   6.860  -4.258
  547   2HB   TYR  70          HB1       TYR  70  11.187   6.516  -4.054
  548    HD1  TYR  70           HD1      TYR  70  11.726   5.191  -4.811
  549    HD2  TYR  70           HD2      TYR  70   9.953   7.122  -5.502
  550    HE1  TYR  70           HE1      TYR  70  12.046   4.930  -6.366
  551    HE2  TYR  70           HE2      TYR  70  10.267   6.866  -7.057
  552    HH   TYR  70           HH       TYR  70  11.349   5.505  -7.905
  553    H    VAL  71           HN       VAL  71  10.350   7.008  -0.948
  554    HA   VAL  71           HA       VAL  71   7.657   7.547  -0.287
  555    HB   VAL  71           HB       VAL  71   9.874   8.675   0.897
  556   1HG1  VAL  71          HG11      VAL  71   8.568   9.042   1.904
  557   2HG1  VAL  71          HG12      VAL  71   8.448   9.084   1.546
  558   3HG1  VAL  71          HG13      VAL  71   8.761   9.368   1.983
  559   1HG2  VAL  71          HG21      VAL  71   9.386   7.225   1.658
  560   2HG2  VAL  71          HG22      VAL  71   9.488   7.424   1.824
  561   3HG2  VAL  71          HG23      VAL  71   9.603   7.323   1.787
  562    H    GLY  72           HN       GLY  72   6.448   9.306  -0.694
  563   1HA   GLY  72          HA2       GLY  72   6.416  11.706  -1.073
  564   2HA   GLY  72          HA1       GLY  72   7.714  11.466  -2.176
  565    H    LYS  73           HN       LYS  73   5.786   8.951  -2.744
  566    HA   LYS  73           HA       LYS  73   3.845  10.330  -4.355
  567   1HB   LYS  73          HB2       LYS  73   5.873   9.396  -5.618
  568   2HB   LYS  73          HB1       LYS  73   5.172   8.746  -5.969
  569   1HG   LYS  73          HG2       LYS  73   5.005  10.044  -6.442
  570   2HG   LYS  73          HG1       LYS  73   5.240  10.020  -6.539
  571   1HD   LYS  73          HD2       LYS  73   5.118  10.347  -7.525
  572   2HD   LYS  73          HD1       LYS  73   5.342   9.798  -7.431
  573   1HE   LYS  73          HE2       LYS  73   4.123   9.897  -8.391
  574   2HE   LYS  73          HE1       LYS  73   4.041  10.256  -8.341
  575   1HZ   LYS  73          HZ1       LYS  73   4.124  10.342  -9.440
  576   2HZ   LYS  73          HZ2       LYS  73   4.285  10.193  -9.155
  577   3HZ   LYS  73          HZ3       LYS  73   4.229  10.448  -9.250
  578    HA   PRO  74           HA       PRO  74   1.429   6.876  -3.011
  579   1HB   PRO  74          HB2       PRO  74  -0.220   7.472  -5.329
  580   2HB   PRO  74          HB1       PRO  74  -0.661   7.377  -3.654
  581   1HG   PRO  74          HG2       PRO  74  -0.496   9.718  -4.874
  582   2HG   PRO  74          HG1       PRO  74   0.014   9.532  -3.201
  583   1HD   PRO  74          HD2       PRO  74   1.663   9.705  -5.657
  584   2HD   PRO  74          HD1       PRO  74   1.954  10.399  -4.060
  585    H    LEU  75           HN       LEU  75   0.898   4.773  -3.692
  586    HA   LEU  75           HA       LEU  75   2.104   4.010  -6.187
  587   1HB   LEU  75          HB2       LEU  75   2.927   2.407  -4.968
  588   2HB   LEU  75          HB1       LEU  75   2.903   3.122  -4.185
  589    HG   LEU  75           HG       LEU  75   1.942   1.907  -3.779
  590   1HD1  LEU  75          HD11      LEU  75   2.710   0.886  -3.902
  591   2HD1  LEU  75          HD12      LEU  75   2.352   0.889  -3.885
  592   3HD1  LEU  75          HD13      LEU  75   2.517   0.913  -3.795
  593   1HD2  LEU  75          HD21      LEU  75   2.644   1.390  -2.796
  594   2HD2  LEU  75          HD22      LEU  75   2.712   1.538  -2.974
  595   3HD2  LEU  75          HD23      LEU  75   2.647   1.436  -2.850
  596    H    VAL  76           HN       VAL  76  -0.566   3.449  -3.995
  597    HA   VAL  76           HA       VAL  76  -1.979   2.159  -6.215
  598    HB   VAL  76           HB       VAL  76  -1.166   0.338  -4.824
  599   1HG1  VAL  76          HG11      VAL  76  -2.162   0.914  -2.577
  600   2HG1  VAL  76          HG12      VAL  76  -1.865   1.434  -2.647
  601   3HG1  VAL  76          HG13      VAL  76  -1.568   0.912  -2.645
  602   1HG2  VAL  76          HG21      VAL  76  -3.661  -0.014  -4.635
  603   2HG2  VAL  76          HG22      VAL  76  -3.403  -0.193  -5.097
  604   3HG2  VAL  76          HG23      VAL  76  -3.672   0.296  -5.102
  605    H    ASP  77           HN       ASP  77  -4.212   2.408  -6.232
  606    HA   ASP  77           HA       ASP  77  -5.264   4.387  -4.336
  607   1HB   ASP  77          HB2       ASP  77  -6.507   3.810  -6.996
  608   2HB   ASP  77          HB1       ASP  77  -6.665   5.236  -6.010
  609    H    ILE  78           HN       ILE  78  -6.814   3.731  -3.000
  610    HA   ILE  78           HA       ILE  78  -8.469   1.428  -3.755
  611    HB   ILE  78           HB       ILE  78  -7.588   1.672  -0.920
  612   1HG1  ILE  78          HG12      ILE  78  -5.806  -0.121  -1.727
  613   2HG1  ILE  78          HG11      ILE  78  -5.888   0.816  -3.207
  614   1HG2  ILE  78          HG21      ILE  78  -8.658  -0.388  -1.994
  615   2HG2  ILE  78          HG22      ILE  78  -8.643  -0.303  -1.448
  616   3HG2  ILE  78          HG23      ILE  78  -8.249  -0.602  -1.693
  617   1HD1  ILE  78          HD11      ILE  78  -4.823   2.056  -1.403
  618   2HD1  ILE  78          HD12      ILE  78  -4.948   2.073  -1.391
  619   3HD1  ILE  78          HD13      ILE  78  -4.865   2.142  -1.466
  620    H    GLU  79           HN       GLU  79 -10.558   1.387  -2.826
  621    HA   GLU  79           HA       GLU  79 -11.389   3.993  -1.771
  622   1HB   GLU  79          HB2       GLU  79 -12.699   1.997  -3.373
  623   2HB   GLU  79          HB1       GLU  79 -13.640   2.568  -2.235
  624   1HG   GLU  79          HG2       GLU  79 -12.820   4.561  -3.215
  625   2HG   GLU  79          HG1       GLU  79 -12.783   3.769  -4.293
  626    H    THR  80           HN       THR  80 -11.467   4.150   0.347
  627    HA   THR  80           HA       THR  80 -12.658   1.994   1.915
  628    HB   THR  80           HB       THR  80 -10.759   2.736   3.634
  629    HG1  THR  80           HG1      THR  80  -9.265   2.982   1.967
  630   1HG2  THR  80          HG21      THR  80 -10.438   0.655   2.637
  631   2HG2  THR  80          HG22      THR  80 -10.320   0.698   2.568
  632   3HG2  THR  80          HG23      THR  80 -10.436   0.588   2.506
  633    H    GLU  81           HN       GLU  81 -13.409   2.702   4.027
  634    HA   GLU  81           HA       GLU  81 -14.758   5.132   3.961
  635   1HB   GLU  81          HB2       GLU  81 -14.649   3.089   5.765
  636   2HB   GLU  81          HB1       GLU  81 -14.341   4.255   6.560
  637   1HG   GLU  81          HG2       GLU  81 -16.078   4.631   5.882
  638   2HG   GLU  81          HG1       GLU  81 -16.284   4.061   5.686
  639    H    ALA  82           HN       ALA  82 -14.401   7.083   4.991
  640    HA   ALA  82           HA       ALA  82 -12.032   8.326   4.808
  641   1HB   ALA  82          HB1       ALA  82 -13.672   9.485   6.063
  642   2HB   ALA  82          HB2       ALA  82 -13.543   9.454   6.240
  643   3HB   ALA  82          HB3       ALA  82 -13.744   9.386   6.230
  644    H    LEU  83           HN       LEU  83 -10.123   7.812   5.556
  645    HA   LEU  83           HA       LEU  83  -9.909   6.997   8.337
  646   1HB   LEU  83          HB2       LEU  83  -8.875   5.782   5.992
  647   2HB   LEU  83          HB1       LEU  83  -7.664   6.111   7.054
  648    HG   LEU  83           HG       LEU  83  -9.199   5.014   8.337
  649   1HD1  LEU  83          HD11      LEU  83 -10.008   3.698   7.289
  650   2HD1  LEU  83          HD12      LEU  83 -10.095   3.895   7.241
  651   3HD1  LEU  83          HD13      LEU  83  -9.957   3.893   7.389
  652   1HD2  LEU  83          HD21      LEU  83  -8.092   3.748   7.968
  653   2HD2  LEU  83          HD22      LEU  83  -8.053   3.700   7.971
  654   3HD2  LEU  83          HD23      LEU  83  -8.035   3.823   7.898
  655    H    LYS  84           HN       LYS  84  -8.458   8.024   9.568
  656    HA   LYS  84           HA       LYS  84  -7.582  10.543   8.933
  657   1HB   LYS  84          HB2       LYS  84  -6.927   9.583  11.035
  658   2HB   LYS  84          HB1       LYS  84  -6.763   9.718  10.986
  659   1HG   LYS  84          HG2       LYS  84  -6.862   9.964  11.203
  660   2HG   LYS  84          HG1       LYS  84  -7.124   9.831  11.298
  661   1HD   LYS  84          HD2       LYS  84  -6.934   9.731  12.374
  662   2HD   LYS  84          HD1       LYS  84  -6.589   9.733  12.447
  663   1HE   LYS  84          HE2       LYS  84  -6.325  10.214  13.454
  664   2HE   LYS  84          HE1       LYS  84  -6.396  10.309  13.133
  665   1HZ   LYS  84          HZ1       LYS  84  -6.734  10.491  14.370
  666   2HZ   LYS  84          HZ2       LYS  84  -6.651  10.376  13.829
  667   3HZ   LYS  84          HZ3       LYS  84  -6.668  10.255  13.997
  668    H    ASP  85           HN       ASP  85  -6.119   7.588   8.366
  669    HA   ASP  85           HA       ASP  85  -3.650   8.145   8.214
  670   1HB   ASP  85          HB2       ASP  85  -4.979   6.320   7.197
  671   2HB   ASP  85          HB1       ASP  85  -4.103   6.779   6.202
  672    H    LEU  86           HN       LEU  86  -5.576   8.663   5.792
  673    HA   LEU  86           HA       LEU  86  -3.691  10.057   4.467
  674   1HB   LEU  86          HB2       LEU  86  -5.061   8.750   3.454
  675   2HB   LEU  86          HB1       LEU  86  -5.251   9.660   3.035
  676    HG   LEU  86           HG       LEU  86  -3.960   9.092   2.333
  677   1HD1  LEU  86          HD11      LEU  86  -4.002   8.955   2.009
  678   2HD1  LEU  86          HD12      LEU  86  -4.007   8.956   1.718
  679   3HD1  LEU  86          HD13      LEU  86  -3.922   9.126   1.640
  680   1HD2  LEU  86          HD21      LEU  86  -3.669   9.183   1.438
  681   2HD2  LEU  86          HD22      LEU  86  -3.665   9.079   1.342
  682   3HD2  LEU  86          HD23      LEU  86  -3.362   9.068   1.378
  683    H    GLU  87           HN       GLU  87  -6.246  10.095   5.992
  684    HA   GLU  87           HA       GLU  87  -6.472  12.325   6.021
  685   1HB   GLU  87          HB2       GLU  87  -7.908  11.720   4.912
  686   2HB   GLU  87          HB1       GLU  87  -7.419  12.621   4.705
  687   1HG   GLU  87          HG2       GLU  87  -6.388  11.570   3.491
  688   2HG   GLU  87          HG1       GLU  87  -6.799  11.030   3.913