*HEADER    PROTEIN TRANSPORT                       09-JAN-09   2W84
*TITLE     STRUCTURE OF PEX14 IN COMPEX WITH PEX5
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: PEROXISOMAL MEMBRANE PROTEIN PEX14;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN, RESIDUES 16-81;
*COMPND   5 SYNONYM: PEROXISOMAL MEMBRANE ANCHOR PROTEIN PEX14,
*COMPND   6  PEROXIN-14, PTS1 RECEPTOR-DOCKING PROTEIN, PEX14;
*COMPND   7 ENGINEERED: YES;
*COMPND   8 MOL_ID: 2;
*COMPND   9 MOLECULE: PEROXISOMAL TARGETING SIGNAL 1 RECEPTOR;
*COMPND  10 CHAIN: B;
*COMPND  11 FRAGMENT: FIRST WXXXF/Y MOTIF, RESIDUES 108-127;
*COMPND  12 SYNONYM: PEROXISOME RECEPTOR 1, PEROXISOMAL C-TERMINAL
*COMPND  13  TARGETING SIGNAL IMPORT RECEPTOR, PTS1-BP, PEROXIN-5,
*COMPND  14  PTS1 RECEPTOR, PTS1R, PEX5
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE   3 ORGANISM_COMMON: HUMAN;
*SOURCE   4 ORGANISM_TAXID: 9606;
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PETM11_MOD;
*SOURCE  10 MOL_ID: 2;
*SOURCE  11 SYNTHETIC: YES;
*SOURCE  12 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE  13 ORGANISM_COMMON: HUMAN;
*SOURCE  14 ORGANISM_TAXID: 9606
*KEYWDS    ZELLWEGER SYNDROME, ALTERNATIVE SPLICING, PHOSPHOPROTEIN,
*KEYWDS   2 PROTEIN COMPLEX, DISEASE MUTATION, PEROXISOME, TPR REPEAT,
*KEYWDS   3 POLYMORPHISM, TRANSLOCATION, PEROXISOME BIOGENESIS
*KEYWDS   4 DISORDER, PROTEIN TRANSPORT, PEROXISOME IMPORT,
*KEYWDS   5 RECEPTOR-CARGO COMPLEX, PEROXISOME TARGETING SIGNAL, PTS,
*KEYWDS   6 PEX5, PEX14, MEMBRANE, CYTOPLASM, TRANSPORT
*EXPDTA    SOLUTION NMR
*AUTHOR    C.NEUFELD,F.V.FILIPP,B.SIMON,A.NEUHAUS,N.SCHUELLER,C.DAVID,
*AUTHOR   2 H.KOOSHAPUR,T.MADL,R.ERDMANN,W.SCHLIEBS,M.WILMANNS,
*AUTHOR   3 M.SATTLER
*REVDAT   1   09-JAN-09 2W84    0




 ASSI {   11}
   (( segid "PX14" and resid 44   and name HN  ))
   (( segid "PX14" and resid 45   and name HD1 ))
      3.300     1.400     1.400 peak    11 spectrum    1 weight  0.10000E+01 volume  0.26894E-02 ppm1      7.712 ppm2      4.183 CV     1
 ASSI {   16}
   (( segid "PX14" and resid 48   and name HN  ))
   (( segid "PX14" and resid 45   and name HB2 ))
      2.300     0.700     0.700 peak    16 spectrum    1 weight  0.10000E+01 volume  0.35816E-02 ppm1      7.330 ppm2      2.112 CV     1
 ASSI {   19}
   (( segid "PX14" and resid 50   and name HN  ))
   (( segid "PX14" and resid 49   and name HN  ))
      2.900     1.000     1.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.13833E-02 ppm1      8.538 ppm2      7.797 CV     1
 ASSI {   20}
   (( segid "PX14" and resid 50   and name HN  ))
   (( segid "PX14" and resid 50   and name HB1 ))
      2.500     0.800     0.800 peak    20 spectrum    1 weight  0.10000E+01 volume  0.72038E-02 ppm1      8.538 ppm2      1.971 CV     1
 ASSI {   21}
   (( segid "PX14" and resid 50   and name HN  ))
   (( segid "PX14" and resid 50   and name HA  ))
      2.500     0.800     0.800 peak    21 spectrum    1 weight  0.10000E+01 volume  0.35176E-02 ppm1      8.538 ppm2      3.962 CV     1
 ASSI {   22}
   (( segid "PX14" and resid 53   and name HN  ))
   (( segid "PX14" and resid 54   and name HN  ))
      2.400     0.700     0.700 peak    22 spectrum    1 weight  0.10000E+01 volume  0.38637E-02 ppm1      7.479 ppm2      8.072 CV     1
 ASSI {   27}
   (( segid "PX14" and resid 53   and name HN  ))
   (  segid "PX14" and resid 53   and name HD1%)
      3.200     1.300     1.300 peak    27 spectrum    1 weight  0.10000E+01 volume  0.19707E-02 ppm1      7.488 ppm2      0.889 CV     1
 ASSI {   29}
   (( segid "PX14" and resid 59   and name HN  ))
   (( segid "PX14" and resid 62   and name HB1 ))
      4.000     2.000     2.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.12668E-02 ppm1      9.156 ppm2      2.554 CV     1
 ASSI {   31}
   (( segid "PX14" and resid 59   and name HN  ))
   (( segid "PX14" and resid 58   and name HB1 ))
      2.800     1.000     1.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.10503E-02 ppm1      9.156 ppm2      1.976 CV     1
 ASSI {   35}
   (( segid "PX14" and resid 65   and name HN  ))
   (( segid "PX14" and resid 63   and name HN  ))
      2.800     1.000     1.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.25499E-02 ppm1      8.063 ppm2      8.611 CV     1
 ASSI {   40}
   (( segid "PX14" and resid 68   and name HN  ))
   (( segid "PX14" and resid 67   and name HN  ))
      2.600     0.800     0.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.26345E-02 ppm1      8.288 ppm2      9.060 CV     1
 ASSI {   41}
   (( segid "PX14" and resid 68   and name HN  ))
   (( segid "PX14" and resid 69   and name HN  ))
      2.300     0.700     0.700 peak    41 spectrum    1 weight  0.10000E+01 volume  0.50820E-02 ppm1      8.281 ppm2      8.605 CV     1
 ASSI {   51}
   (( segid "PX14" and resid 72   and name HN  ))
   (( segid "PX14" and resid 73   and name HN  ))
      4.100     2.100     1.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.25889E-03 ppm1      7.917 ppm2      8.274 CV     1
 ASSI {   62}
   (( segid "PX14" and resid 76   and name HN  ))
   (( segid "PX14" and resid 75   and name HA  ))
      2.000     0.500     0.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.14075E-01 ppm1      8.114 ppm2      4.585 CV     1
 ASSI {   64}
   (( segid "PX14" and resid 71   and name HN  ))
   (( segid "PX14" and resid 69   and name HN  ))
      3.600     1.600     1.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.98439E-03 ppm1      7.610 ppm2      7.806 CV     1
 ASSI {   65}
   (( segid "PX14" and resid 50   and name HN  ))
   (( segid "PX14" and resid 49   and name HB2 ))
      2.100     0.500     0.500 peak    65 spectrum    1 weight  0.10000E+01 volume  0.67173E-02 ppm1      8.544 ppm2      1.734 CV     1
 ASSI {   70}
   (( segid "PX14" and resid 60   and name HN  ))
   (( segid "PX14" and resid 61   and name HN  ))
      2.900     1.100     1.100 peak    70 spectrum    1 weight  0.10000E+01 volume  0.13315E-02 ppm1      8.861 ppm2      8.395 CV     1
 ASSI {   74}
   (( segid "PX14" and resid 51   and name HN  ))
   (( segid "PX14" and resid 50   and name HN  ))
      2.700     0.900     0.900 peak    74 spectrum    1 weight  0.10000E+01 volume  0.22366E-02 ppm1      8.043 ppm2      8.502 CV     1
 ASSI {   76}
   (( segid "PX14" and resid 67   and name HN  ))
   (( segid "PX14" and resid 66   and name HN  ))
      2.600     0.900     0.900 peak    76 spectrum    1 weight  0.10000E+01 volume  0.23721E-02 ppm1      9.044 ppm2      8.611 CV     1
 ASSI {   77}
   (( segid "PX14" and resid 33   and name HN  ))
   (( segid "PX14" and resid 34   and name HN  ))
      2.600     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.20899E-02 ppm1      8.887 ppm2      7.112 CV     1
 ASSI {   78}
   (( segid "PX14" and resid 33   and name HN  ))
   (( segid "PX14" and resid 32   and name HN  ))
      2.700     0.900     0.900 peak    78 spectrum    1 weight  0.10000E+01 volume  0.17137E-02 ppm1      8.883 ppm2      8.240 CV     1
 ASSI {   92}
   (( segid "PX14" and resid 42   and name HN  ))
   (( segid "PX14" and resid 43   and name HN  ))
      2.900     1.000     1.000 peak    92 spectrum    1 weight  0.10000E+01 volume  0.11888E-02 ppm1      7.959 ppm2      7.028 CV     1
 ASSI {   94}
   (( segid "PX14" and resid 31   and name HN  ))
   (( segid "PX14" and resid 30   and name HN  ))
      6.000     4.700     0.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.14351E-04 ppm1      7.522 ppm2      8.240 CV     1
 ASSI {   99}
   (( segid "PX14" and resid 35   and name HN  ))
   (( segid "PX14" and resid 34   and name HN  ))
      2.700     0.900     0.900 peak    99 spectrum    1 weight  0.10000E+01 volume  0.18007E-02 ppm1      8.005 ppm2      7.096 CV     1
 ASSI {  105}
   (( segid "PX14" and resid 63   and name HN  ))
   (( segid "PX14" and resid 64   and name HN  ))
      2.700     0.900     0.900 peak   105 spectrum    1 weight  0.10000E+01 volume  0.18825E-02 ppm1      8.564 ppm2      8.338 CV     1
 ASSI {  108}
   (( segid "PX14" and resid 61   and name HN  ))
   (( segid "PX14" and resid 59   and name HB  ))
      3.900     1.900     1.900 peak   108 spectrum    1 weight  0.10000E+01 volume  0.24518E-03 ppm1      8.370 ppm2      4.745 CV     1
 ASSI {  109}
   (( segid "PX14" and resid 61   and name HN  ))
   (( segid "PX14" and resid 61   and name HA  ))
      3.000     1.100     1.100 peak   109 spectrum    1 weight  0.10000E+01 volume  0.13033E-02 ppm1      8.374 ppm2      4.157 CV     1
 ASSI {  110}
   (( segid "PX14" and resid 61   and name HN  ))
   (( segid "PX14" and resid 60   and name HB2 ))
      3.400     1.500     1.500 peak   110 spectrum    1 weight  0.10000E+01 volume  0.10838E-02 ppm1      8.372 ppm2      2.547 CV     1
 ASSI {  116}
   (( segid "PX14" and resid 58   and name HN  ))
   (( segid "PX14" and resid 58   and name HB1 ))
      4.700     2.700     1.300 peak   116 spectrum    1 weight  0.10000E+01 volume  0.27540E-03 ppm1      7.400 ppm2      1.981 CV     1
 ASSI {  140}
   (( segid "PX14" and resid 36   and name HN  ))
   (( segid "PX14" and resid 36   and name HG  ))
      2.700     2.700     3.300 peak   140 spectrum    1 weight  0.10000E+01 volume  0.18087E-02 ppm1      8.342 ppm2      2.106 CV     1
 ASSI {  143}
   (( segid "PX14" and resid 42   and name HN  ))
   (( segid "PX14" and resid 42   and name HA  ))
      3.000     1.100     1.100 peak   143 spectrum    1 weight  0.10000E+01 volume  0.11339E-02 ppm1      7.960 ppm2      3.895 CV     1
 ASSI {  145}
   (( segid "PX14" and resid 42   and name HN  ))
   (  segid "PX14" and resid 41   and name HG2%)
      6.000     5.000     0.000 peak   145 spectrum    1 weight  0.10000E+01 volume  0.43335E-04 ppm1      7.957 ppm2     -0.327 CV     1
 ASSI {  162}
   (( segid "PX14" and resid 72   and name HN  ))
   (( segid "PX14" and resid 71   and name HN  ))
      3.000     1.200     1.200 peak   162 spectrum    1 weight  0.10000E+01 volume  0.89026E-03 ppm1      7.910 ppm2      7.600 CV     1
 ASSI {  189}
   (( segid "PX14" and resid 25   and name HN  ))
   (( segid "PX14" and resid 26   and name HN  ))
      4.500     2.500     1.500 peak   189 spectrum    1 weight  0.10000E+01 volume  0.20148E-03 ppm1      9.498 ppm2      8.799 CV     1
 ASSI {  202}
   (( segid "PX14" and resid 80   and name HN  ))
   (( segid "PX14" and resid 81   and name HN  ))
      2.800     1.000     1.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.21299E-02 ppm1      7.960 ppm2      7.410 CV     1
 ASSI {  204}
   (( segid "PX14" and resid 80   and name HN  ))
   (( segid "PX14" and resid 78   and name HA  ))
      2.700     0.900     0.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.41667E-02 ppm1      7.960 ppm2      4.324 CV     1
 ASSI {  205}
   (( segid "PX14" and resid 80   and name HN  ))
   (( segid "PX14" and resid 78   and name HB2 ))
      4.100     2.100     1.900 peak   205 spectrum    1 weight  0.10000E+01 volume  0.36037E-03 ppm1      7.955 ppm2      3.733 CV     1
 ASSI {  211}
   (( segid "PX14" and resid 49   and name HN  ))
   (( segid "PX14" and resid 48   and name HN  ))
      2.600     0.900     0.900 peak   211 spectrum    1 weight  0.10000E+01 volume  0.21502E-02 ppm1      7.791 ppm2      7.328 CV     1
 ASSI {  216}
   (( segid "PX14" and resid 55   and name HN  ))
   (( segid "PX14" and resid 56   and name HN  ))
      2.600     0.800     0.800 peak   216 spectrum    1 weight  0.10000E+01 volume  0.23495E-02 ppm1      7.708 ppm2      6.969 CV     1
 ASSI {  240}
   (( segid "PX14" and resid 73   and name HN  ))
   (( segid "PX14" and resid 74   and name HN  ))
      3.500     1.500     1.500 peak   240 spectrum    1 weight  0.10000E+01 volume  0.61611E-03 ppm1      8.277 ppm2      7.990 CV     1
 ASSI {  247}
   (( segid "PX14" and resid 23   and name HN  ))
   (( segid "PX14" and resid 23   and name HA  ))
      2.700     0.900     0.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.21040E-02 ppm1      8.224 ppm2      4.602 CV     1
 ASSI {  252}
   (( segid "PX14" and resid 57   and name HN  ))
   (( segid "PX14" and resid 56   and name HN  ))
      2.600     0.900     0.900 peak   252 spectrum    1 weight  0.10000E+01 volume  0.22188E-02 ppm1      7.497 ppm2      6.970 CV     1
 ASSI {  262}
   (( segid "PX14" and resid 21   and name HN  ))
   (( segid "PX14" and resid 22   and name HN  ))
      5.300     3.500     0.700 peak   262 spectrum    1 weight  0.10000E+01 volume  0.61656E-04 ppm1      8.336 ppm2      8.066 CV     1
 ASSI {  263}
   (( segid "PX14" and resid 31   and name HN  ))
   (( segid "PX14" and resid 32   and name HN  ))
      2.400     0.700     0.700 peak   263 spectrum    1 weight  0.10000E+01 volume  0.39744E-02 ppm1      7.700 ppm2      8.222 CV     1
 ASSI {  264}
   (( segid "PX14" and resid 44   and name HN  ))
   (( segid "PX14" and resid 43   and name HN  ))
      2.600     0.800     0.800 peak   264 spectrum    1 weight  0.10000E+01 volume  0.27956E-02 ppm1      7.708 ppm2      6.985 CV     1
 ASSI {  266}
   (( segid "PX14" and resid 16   and name HN  ))
   (( segid "PX14" and resid 16   and name HA  ))
      2.700     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.23599E-02 ppm1      8.192 ppm2      4.718 CV     1
 ASSI {  267}
   (( segid "PX14" and resid 16   and name HN  ))
   (( segid "PX14" and resid 15   and name HA  ))
      3.200     1.300     1.300 peak   267 spectrum    1 weight  0.10000E+01 volume  0.85295E-03 ppm1      8.196 ppm2      4.321 CV     1
 ASSI {  278}
   (( segid "PX14" and resid 29   and name HN  ))
   (( segid "PX14" and resid 28   and name HN  ))
      2.400     0.700     0.700 peak   278 spectrum    1 weight  0.10000E+01 volume  0.32231E-02 ppm1      7.853 ppm2      6.834 CV     1
 ASSI {  282}
   (( segid "PX14" and resid 30   and name HN  ))
   (( segid "PX14" and resid 29   and name HN  ))
      2.300     0.700     0.700 peak   282 spectrum    1 weight  0.10000E+01 volume  0.43799E-02 ppm1      8.235 ppm2      7.811 CV     1
 ASSI {  302}
   (( segid "PX14" and resid 35   and name HN  ))
   (( segid "PX14" and resid 36   and name HN  ))
      2.900     1.000     1.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.13823E-02 ppm1      8.001 ppm2      8.354 CV     1
 ASSI {  304}
   (( segid "PX14" and resid 36   and name HN  ))
   (( segid "PX14" and resid 37   and name HN  ))
      2.700     0.900     0.900 peak   304 spectrum    1 weight  0.10000E+01 volume  0.20372E-02 ppm1      8.365 ppm2      7.328 CV     1
 ASSI {  314}
   (( segid "PX14" and resid 46   and name HN  ))
   (( segid "PX14" and resid 46   and name HG  ))
      3.900     1.900     1.900 peak   314 spectrum    1 weight  0.10000E+01 volume  0.36197E-03 ppm1      9.118 ppm2      1.603 CV     1
 ASSI {  317}
   (( segid "PX14" and resid 47   and name HN  ))
   (( segid "PX14" and resid 48   and name HN  ))
      3.200     1.300     1.300 peak   317 spectrum    1 weight  0.10000E+01 volume  0.80706E-03 ppm1      9.140 ppm2      7.338 CV     1
 ASSI {  327}
   (( segid "PX14" and resid 52   and name HN  ))
   (( segid "PX14" and resid 53   and name HN  ))
      2.600     0.800     0.800 peak   327 spectrum    1 weight  0.10000E+01 volume  0.27275E-02 ppm1      7.972 ppm2      7.493 CV     1
 ASSI {  328}
   (( segid "PX14" and resid 54   and name HN  ))
   (( segid "PX14" and resid 55   and name HN  ))
      2.400     0.700     0.700 peak   328 spectrum    1 weight  0.10000E+01 volume  0.44514E-02 ppm1      8.108 ppm2      7.709 CV     1
 ASSI {  350}
   (( segid "PX14" and resid 58   and name HN  ))
   (( segid "PX14" and resid 56   and name HN  ))
      3.700     1.700     1.700 peak   350 spectrum    1 weight  0.10000E+01 volume  0.67435E-03 ppm1      7.414 ppm2      6.966 CV     1
 ASSI {  352}
   (( segid "PX14" and resid 59   and name HN  ))
   (( segid "PX14" and resid 58   and name HN  ))
      4.900     2.900     1.100 peak   352 spectrum    1 weight  0.10000E+01 volume  0.19284E-03 ppm1      9.184 ppm2      7.415 CV     1
 ASSI {  353}
   (( segid "PX14" and resid 59   and name HN  ))
   (( segid "PX14" and resid 62   and name HN  ))
      3.800     1.800     1.800 peak   353 spectrum    1 weight  0.10000E+01 volume  0.47802E-03 ppm1      9.184 ppm2      7.758 CV     1
 ASSI {  354}
   (( segid "PX14" and resid 59   and name HN  ))
   (( segid "PX14" and resid 60   and name HN  ))
      4.800     2.900     1.200 peak   354 spectrum    1 weight  0.10000E+01 volume  0.14071E-03 ppm1      9.189 ppm2      8.880 CV     1
 ASSI {  363}
   (( segid "PX14" and resid 60   and name HN  ))
   (( segid "PX14" and resid 62   and name HN  ))
      5.400     3.700     0.600 peak   363 spectrum    1 weight  0.10000E+01 volume  0.59273E-04 ppm1      8.855 ppm2      7.755 CV     1
 ASSI {  383}
   (( segid "PX14" and resid 62   and name HN  ))
   (( segid "PX14" and resid 61   and name HN  ))
      2.400     0.700     0.700 peak   383 spectrum    1 weight  0.10000E+01 volume  0.38546E-02 ppm1      7.763 ppm2      8.401 CV     1
 ASSI {  384}
   (( segid "PX14" and resid 62   and name HN  ))
   (( segid "PX14" and resid 63   and name HN  ))
      2.700     0.900     0.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.18165E-02 ppm1      7.763 ppm2      8.554 CV     1
 ASSI {  392}
   (( segid "PX14" and resid 64   and name HN  ))
   (( segid "PX14" and resid 65   and name HN  ))
      2.100     0.500     0.500 peak   392 spectrum    1 weight  0.10000E+01 volume  0.94017E-02 ppm1      8.336 ppm2      8.108 CV     1
 ASSI {  394}
   (( segid "PX14" and resid 66   and name HN  ))
   (( segid "PX14" and resid 65   and name HN  ))
      2.600     0.800     0.800 peak   394 spectrum    1 weight  0.10000E+01 volume  0.24200E-02 ppm1      8.583 ppm2      8.062 CV     1
 ASSI {  402}
   (( segid "PX14" and resid 66   and name HN  ))
   (( segid "PX14" and resid 65   and name HA  ))
      2.700     0.900     0.900 peak   402 spectrum    1 weight  0.10000E+01 volume  0.26834E-02 ppm1      8.584 ppm2      4.039 CV     1
 ASSI {  403}
   (( segid "PX14" and resid 70   and name HN  ))
   (( segid "PX14" and resid 69   and name HN  ))
      2.200     0.600     0.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.67120E-02 ppm1      8.035 ppm2      8.617 CV     1
 ASSI {  406}
   (( segid "PX14" and resid 71   and name HN  ))
   (( segid "PX14" and resid 70   and name HN  ))
      2.500     0.800     0.800 peak   406 spectrum    1 weight  0.10000E+01 volume  0.29691E-02 ppm1      7.648 ppm2      7.994 CV     1
 ASSI {  412}
   (( segid "PX14" and resid 78   and name HN  ))
   (( segid "PX14" and resid 78   and name HA  ))
      2.500     0.800     0.800 peak   412 spectrum    1 weight  0.10000E+01 volume  0.33739E-02 ppm1      8.255 ppm2      4.343 CV     1
 ASSI {  416}
   (( segid "PX14" and resid 79   and name HN  ))
   (( segid "PX14" and resid 78   and name HB2 ))
      4.300     2.300     1.700 peak   416 spectrum    1 weight  0.10000E+01 volume  0.43745E-03 ppm1      8.164 ppm2      3.737 CV     1
 ASSI {    1}
   (( segid "PX14" and resid 15   and name HA  ))
   (  segid "PX14" and resid 15   and name HB% )
      1.900     1.900     4.100 peak     1 spectrum    2 weight  0.11000E+01 volume  0.29802E-01 ppm1      4.212 ppm2      1.297 CV     1
 ASSI {    5}
   (  segid "PX14" and resid 30   and name HB% )
   (( segid "PX14" and resid 30   and name HA  ))
      2.100     2.100     3.900 peak     5 spectrum    2 weight  0.11000E+01 volume  0.18434E-01 ppm1      1.333 ppm2      3.962 CV     1
 ASSI {    9}
   (( segid "PX14" and resid 32   and name HA  ))
   (  segid "PX14" and resid 32   and name HB% )
      2.200     2.200     3.800 peak     9 spectrum    2 weight  0.11000E+01 volume  0.85550E-02 ppm1      4.185 ppm2      1.599 CV     1
 ASSI {   12}
   (( segid "PX14" and resid 47   and name HA  ))
   (  segid "PX14" and resid 47   and name HB% )
      2.500     2.500     3.500 peak    12 spectrum    2 weight  0.11000E+01 volume  0.64007E-02 ppm1      4.049 ppm2      1.467 CV     1
 ASSI {   18}
   (( segid "PX14" and resid 51   and name HA  ))
   (  segid "PX14" and resid 51   and name HB% )
      2.000     2.000     4.000 peak    18 spectrum    2 weight  0.11000E+01 volume  0.20080E-01 ppm1      4.027 ppm2      1.544 CV     1
 ASSI {   19}
   (( segid "PX14" and resid 66   and name HA  ))
   (  segid "PX14" and resid 66   and name HB% )
      2.100     2.100     3.900 peak    19 spectrum    2 weight  0.11000E+01 volume  0.13415E-01 ppm1      3.851 ppm2      1.320 CV     1
 ASSI {   23}
   (( segid "PX14" and resid 73   and name HA  ))
   (  segid "PX14" and resid 73   and name HB% )
      2.600     2.600     3.400 peak    23 spectrum    2 weight  0.11000E+01 volume  0.52775E-02 ppm1      4.171 ppm2      1.323 CV     1
 ASSI {   26}
   (( segid "PX14" and resid 74   and name HA  ))
   (  segid "PX14" and resid 74   and name HB% )
      2.200     2.200     3.800 peak    26 spectrum    2 weight  0.11000E+01 volume  0.13485E-01 ppm1      4.216 ppm2      1.318 CV     1
 ASSI {   35}
   (( segid "PX14" and resid 31   and name HA  ))
   (  segid "PX14" and resid 31   and name HG2%)
      2.700     2.700     3.300 peak    35 spectrum    2 weight  0.11000E+01 volume  0.37354E-02 ppm1      3.522 ppm2     -0.097 CV     1
 ASSI {   36}
   (( segid "PX14" and resid 31   and name HB  ))
   (  segid "PX14" and resid 31   and name HG2%)
      2.600     0.900     0.900 peak    36 spectrum    2 weight  0.11000E+01 volume  0.36813E-02 ppm1      3.850 ppm2     -0.092 CV     1
 ASSI {   38}
   (( segid "PX14" and resid 31   and name HB  ))
   (( segid "PX14" and resid 31   and name HA  ))
      3.200     3.200     2.800 peak    38 spectrum    2 weight  0.11000E+01 volume  0.15713E-02 ppm1      3.823 ppm2      3.523 CV     1
 ASSI {   42}
   (( segid "PX14" and resid 72   and name HB  ))
   (  segid "PX14" and resid 72   and name HG2%)
      2.100     2.100     3.900 peak    42 spectrum    2 weight  0.11000E+01 volume  0.12234E-01 ppm1      4.165 ppm2      0.905 CV     1
 ASSI {   46}
   (( segid "PX14" and resid 48   and name HA  ))
   (  segid "PX14" and resid 48   and name HG2%)
      2.500     2.500     3.500 peak    46 spectrum    2 weight  0.11000E+01 volume  0.69817E-02 ppm1      4.232 ppm2      1.402 CV     1
 ASSI {   50}
   (( segid "PX14" and resid 17   and name HA  ))
   (( segid "PX14" and resid 17   and name HB2 ))
      3.500     3.500     2.500 peak    50 spectrum    2 weight  0.11000E+01 volume  0.11223E-02 ppm1      4.317 ppm2      1.909 CV     1
 ASSI {   51}
   (( segid "PX14" and resid 17   and name HA  ))
   (( segid "PX14" and resid 17   and name HG1 ))
      3.400     3.400     2.600 peak    51 spectrum    2 weight  0.11000E+01 volume  0.31450E-02 ppm1      4.323 ppm2      2.245 CV     1
 ASSI {   54}
   (( segid "PX14" and resid 17   and name HG1 ))
   (( segid "PX14" and resid 17   and name HD1 ))
      2.000     0.500     0.500 peak    54 spectrum    2 weight  0.11000E+01 volume  0.12699E-01 ppm1      1.940 ppm2      2.273 CV     1
 ASSI {   56}
   (( segid "PX14" and resid 17   and name HA  ))
   (( segid "PX14" and resid 17   and name HB1 ))
      4.800     4.800     1.200 peak    56 spectrum    2 weight  0.11000E+01 volume  0.84698E-04 ppm1      4.322 ppm2      2.079 CV     1
 ASSI {   57}
   (( segid "PX14" and resid 17   and name HB2 ))
   (( segid "PX14" and resid 17   and name HG1 ))
      1.500     1.500     4.500 peak    57 spectrum    2 weight  0.11000E+01 volume  0.16151E+00 ppm1      1.981 ppm2      2.022 CV     1
 ASSI {   60}
   (( segid "PX14" and resid 17   and name HD1 ))
   (( segid "PX14" and resid 17   and name HB2 ))
      3.000     3.000     3.000 peak    60 spectrum    2 weight  0.11000E+01 volume  0.76587E-02 ppm1      3.769 ppm2      1.962 CV     1
 ASSI {   61}
   (( segid "PX14" and resid 17   and name HD1 ))
   (( segid "PX14" and resid 17   and name HB1 ))
      2.300     2.300     3.700 peak    61 spectrum    2 weight  0.11000E+01 volume  0.94232E-02 ppm1      3.760 ppm2      2.052 CV     1
 ASSI {   65}
   (( segid "PX14" and resid 27   and name HB1 ))
   (( segid "PX14" and resid 27   and name HG2 ))
      2.400     2.400     3.600 peak    65 spectrum    2 weight  0.11000E+01 volume  0.10785E-01 ppm1      2.257 ppm2      1.971 CV     1
 ASSI {   66}
   (( segid "PX14" and resid 27   and name HB1 ))
   (( segid "PX14" and resid 27   and name HB2 ))
      2.100     2.100     3.900 peak    66 spectrum    2 weight  0.11000E+01 volume  0.65254E-02 ppm1      2.328 ppm2      1.781 CV     1
 ASSI {   68}
   (( segid "PX14" and resid 27   and name HB2 ))
   (( segid "PX14" and resid 27   and name HG2 ))
      2.400     2.400     3.600 peak    68 spectrum    2 weight  0.11000E+01 volume  0.42100E-02 ppm1      1.768 ppm2      1.974 CV     1
 ASSI {   69}
   (( segid "PX14" and resid 27   and name HB1 ))
   (( segid "PX14" and resid 27   and name HA  ))
      2.300     2.300     3.700 peak    69 spectrum    2 weight  0.11000E+01 volume  0.72957E-02 ppm1      2.293 ppm2      4.323 CV     1
 ASSI {   70}
   (( segid "PX14" and resid 27   and name HB2 ))
   (( segid "PX14" and resid 27   and name HA  ))
      3.300     3.300     2.700 peak    70 spectrum    2 weight  0.11000E+01 volume  0.22447E-02 ppm1      1.764 ppm2      4.319 CV     1
 ASSI {   74}
   (( segid "PX14" and resid 48   and name HA  ))
   (( segid "PX14" and resid 48   and name HB  ))
      2.700     2.700     3.300 peak    74 spectrum    2 weight  0.11000E+01 volume  0.31873E-02 ppm1      4.226 ppm2      4.452 CV     1
 ASSI {   75}
   (( segid "PX14" and resid 59   and name HA  ))
   (  segid "PX14" and resid 59   and name HG2%)
      2.800     2.800     3.200 peak    75 spectrum    2 weight  0.11000E+01 volume  0.35895E-02 ppm1      4.253 ppm2      1.214 CV     1
 ASSI {   77}
   (( segid "PX14" and resid 59   and name HB  ))
   (( segid "PX14" and resid 59   and name HA  ))
      2.700     2.700     3.300 peak    77 spectrum    2 weight  0.11000E+01 volume  0.36046E-02 ppm1      4.660 ppm2      4.277 CV     1
 ASSI {   81}
   (( segid "PX14" and resid 72   and name HB  ))
   (( segid "PX14" and resid 72   and name HA  ))
      3.200     3.200     2.800 peak    81 spectrum    2 weight  0.11000E+01 volume  0.11704E-02 ppm1      4.101 ppm2      4.306 CV     1
 ASSI {   84}
   (  segid "PX14" and resid 72   and name HG2%)
   (( segid "PX14" and resid 72   and name HA  ))
      2.600     2.600     3.400 peak    84 spectrum    2 weight  0.11000E+01 volume  0.44889E-02 ppm1      0.871 ppm2      4.306 CV     1
 ASSI {   86}
   (( segid "PX14" and resid 78   and name HB1 ))
   (( segid "PX14" and resid 78   and name HA  ))
      3.500     3.500     2.500 peak    86 spectrum    2 weight  0.11000E+01 volume  0.68589E-03 ppm1      3.735 ppm2      4.185 CV     1
 ASSI {   88}
   (( segid "PX14" and resid 79   and name HB1 ))
   (( segid "PX14" and resid 79   and name HA  ))
      2.800     2.800     3.200 peak    88 spectrum    2 weight  0.11000E+01 volume  0.28679E-02 ppm1      3.699 ppm2      4.314 CV     1
 ASSI {   90}
   (( segid "PX14" and resid 35   and name HA  ))
   (( segid "PX14" and resid 35   and name HB1 ))
      3.600     3.600     2.400 peak    90 spectrum    2 weight  0.11000E+01 volume  0.11227E-02 ppm1      4.229 ppm2      3.572 CV     1
 ASSI {   94}
   (( segid "PX14" and resid 52   and name HB2 ))
   (( segid "PX14" and resid 52   and name HB1 ))
      1.900     1.900     4.100 peak    94 spectrum    2 weight  0.11000E+01 volume  0.88751E-02 ppm1      2.999 ppm2      3.505 CV     1
 ASSI {   98}
   (( segid "PX14" and resid 52   and name HA  ))
   (( segid "PX14" and resid 52   and name HB1 ))
      2.600     2.600     3.400 peak    98 spectrum    2 weight  0.11000E+01 volume  0.71300E-02 ppm1      4.059 ppm2      3.504 CV     1
 ASSI {   99}
   (( segid "PX14" and resid 52   and name HA  ))
   (( segid "PX14" and resid 52   and name HB2 ))
      3.100     3.100     2.900 peak    99 spectrum    2 weight  0.11000E+01 volume  0.12061E-02 ppm1      4.066 ppm2      3.001 CV     1
 ASSI {  101}
   (( segid "PX14" and resid 67   and name HA  ))
   (( segid "PX14" and resid 67   and name HB1 ))
      2.600     2.600     3.400 peak   101 spectrum    2 weight  0.11000E+01 volume  0.30125E-02 ppm1      3.921 ppm2      3.271 CV     1
 ASSI {  102}
   (( segid "PX14" and resid 67   and name HA  ))
   (( segid "PX14" and resid 67   and name HB2 ))
      3.300     3.300     2.700 peak   102 spectrum    2 weight  0.11000E+01 volume  0.18101E-02 ppm1      3.927 ppm2      3.017 CV     1
 ASSI {  106}
   (( segid "PX14" and resid 67   and name HB2 ))
   (( segid "PX14" and resid 67   and name HB1 ))
      1.900     1.900     4.100 peak   106 spectrum    2 weight  0.11000E+01 volume  0.10649E-01 ppm1      2.964 ppm2      3.286 CV     1
 ASSI {  110}
   (( segid "PX14" and resid 70   and name HA  ))
   (( segid "PX14" and resid 70   and name HB1 ))
      3.500     3.500     2.500 peak   110 spectrum    2 weight  0.11000E+01 volume  0.71327E-03 ppm1      4.263 ppm2      4.046 CV     1
 ASSI {  111}
   (( segid "PX14" and resid 70   and name HA  ))
   (( segid "PX14" and resid 70   and name HB2 ))
      2.400     2.400     3.600 peak   111 spectrum    2 weight  0.11000E+01 volume  0.77372E-02 ppm1      4.239 ppm2      3.845 CV     1
 ASSI {  119}
   (( segid "PX14" and resid 24   and name HB2 ))
   (( segid "PX14" and resid 24   and name HB1 ))
      2.000     2.000     4.000 peak   119 spectrum    2 weight  0.11000E+01 volume  0.75258E-02 ppm1      1.776 ppm2      2.179 CV     1
 ASSI {  123}
   (( segid "PX14" and resid 24   and name HB1 ))
   (( segid "PX14" and resid 24   and name HA  ))
      3.200     3.200     2.800 peak   123 spectrum    2 weight  0.11000E+01 volume  0.89354E-03 ppm1      2.144 ppm2      4.459 CV     1
 ASSI {  124}
   (( segid "PX14" and resid 24   and name HB2 ))
   (( segid "PX14" and resid 24   and name HA  ))
      3.200     3.200     2.800 peak   124 spectrum    2 weight  0.11000E+01 volume  0.21398E-02 ppm1      1.758 ppm2      4.455 CV     1
 ASSI {  127}
   (( segid "PX14" and resid 24   and name HG1 ))
   (( segid "PX14" and resid 24   and name HA  ))
      4.300     4.300     1.700 peak   127 spectrum    2 weight  0.11000E+01 volume  0.46128E-03 ppm1      1.997 ppm2      4.444 CV     1
 ASSI {  128}
   (( segid "PX14" and resid 24   and name HG2 ))
   (( segid "PX14" and resid 24   and name HA  ))
      4.200     4.200     1.800 peak   128 spectrum    2 weight  0.11000E+01 volume  0.70414E-03 ppm1      1.871 ppm2      4.439 CV     1
 ASSI {  133}
   (( segid "PX14" and resid 27   and name HG1 ))
   (( segid "PX14" and resid 27   and name HB1 ))
      2.600     2.600     3.400 peak   133 spectrum    2 weight  0.11000E+01 volume  0.29273E-02 ppm1      2.032 ppm2      2.320 CV     1
 ASSI {  134}
   (( segid "PX14" and resid 27   and name HG1 ))
   (( segid "PX14" and resid 27   and name HA  ))
      3.900     3.900     2.100 peak   134 spectrum    2 weight  0.11000E+01 volume  0.50612E-03 ppm1      2.033 ppm2      4.345 CV     1
 ASSI {  135}
   (( segid "PX14" and resid 27   and name HG2 ))
   (( segid "PX14" and resid 27   and name HA  ))
      4.100     4.100     1.900 peak   135 spectrum    2 weight  0.11000E+01 volume  0.10766E-02 ppm1      1.918 ppm2      4.343 CV     1
 ASSI {  136}
   (( segid "PX14" and resid 27   and name HG1 ))
   (( segid "PX14" and resid 27   and name HB2 ))
      3.200     3.200     2.800 peak   136 spectrum    2 weight  0.11000E+01 volume  0.30818E-02 ppm1      2.027 ppm2      1.805 CV     1
 ASSI {  138}
   (( segid "PX14" and resid 27   and name HD2 ))
   (( segid "PX14" and resid 27   and name HD1 ))
      1.900     1.900     4.100 peak   138 spectrum    2 weight  0.11000E+01 volume  0.99506E-02 ppm1      3.489 ppm2      3.822 CV     1
 ASSI {  140}
   (( segid "PX14" and resid 27   and name HD2 ))
   (( segid "PX14" and resid 27   and name HB2 ))
      2.700     2.700     3.300 peak   140 spectrum    2 weight  0.11000E+01 volume  0.37410E-02 ppm1      3.496 ppm2      1.807 CV     1
 ASSI {  141}
   (( segid "PX14" and resid 27   and name HD2 ))
   (( segid "PX14" and resid 27   and name HG1 ))
      2.700     2.700     3.300 peak   141 spectrum    2 weight  0.11000E+01 volume  0.77284E-02 ppm1      3.487 ppm2      2.054 CV     1
 ASSI {  143}
   (( segid "PX14" and resid 27   and name HD1 ))
   (( segid "PX14" and resid 27   and name HG1 ))
      2.300     2.300     3.700 peak   143 spectrum    2 weight  0.11000E+01 volume  0.50757E-02 ppm1      3.797 ppm2      2.053 CV     1
 ASSI {  144}
   (( segid "PX14" and resid 27   and name HD1 ))
   (( segid "PX14" and resid 27   and name HB1 ))
      5.600     5.600     0.400 peak   144 spectrum    2 weight  0.11000E+01 volume  0.14134E-03 ppm1      3.796 ppm2      2.328 CV     1
 ASSI {  145}
   (( segid "PX14" and resid 27   and name HD2 ))
   (( segid "PX14" and resid 27   and name HB1 ))
      6.000     6.000     0.000 peak   145 spectrum    2 weight  0.11000E+01 volume  0.10108E-03 ppm1      3.489 ppm2      2.332 CV     1
 ASSI {  146}
   (( segid "PX14" and resid 27   and name HD2 ))
   (( segid "PX14" and resid 27   and name HG2 ))
      2.400     2.400     3.600 peak   146 spectrum    2 weight  0.11000E+01 volume  0.41513E-02 ppm1      3.491 ppm2      1.954 CV     1
 ASSI {  151}
   (( segid "PX14" and resid 27   and name HA  ))
   (( segid "PX14" and resid 27   and name HD1 ))
      4.600     4.600     1.400 peak   151 spectrum    2 weight  0.11000E+01 volume  0.16813E-03 ppm1      4.324 ppm2      3.836 CV     1
 ASSI {  152}
   (( segid "PX14" and resid 27   and name HA  ))
   (( segid "PX14" and resid 27   and name HD2 ))
      4.300     4.300     1.700 peak   152 spectrum    2 weight  0.11000E+01 volume  0.43061E-03 ppm1      4.319 ppm2      3.516 CV     1
 ASSI {  158}
   (( segid "PX14" and resid 27   and name HG2 ))
   (( segid "PX14" and resid 27   and name HD1 ))
      2.700     2.700     3.300 peak   158 spectrum    2 weight  0.11000E+01 volume  0.51788E-02 ppm1      1.927 ppm2      3.819 CV     1
 ASSI {  161}
   (( segid "PX14" and resid 45   and name HA  ))
   (( segid "PX14" and resid 45   and name HB1 ))
      2.800     2.800     3.200 peak   161 spectrum    2 weight  0.11000E+01 volume  0.17656E-02 ppm1      4.469 ppm2      2.529 CV     1
 ASSI {  162}
   (( segid "PX14" and resid 45   and name HB1 ))
   (( segid "PX14" and resid 45   and name HB2 ))
      1.900     1.900     4.100 peak   162 spectrum    2 weight  0.11000E+01 volume  0.11549E-01 ppm1      2.531 ppm2      2.053 CV     1
 ASSI {  166}
   (( segid "PX14" and resid 45   and name HB2 ))
   (( segid "PX14" and resid 45   and name HA  ))
      6.000     6.000     0.000 peak   166 spectrum    2 weight  0.11000E+01 volume  0.24073E-04 ppm1      1.998 ppm2      4.532 CV     1
 ASSI {  168}
   (( segid "PX14" and resid 45   and name HG1 ))
   (( segid "PX14" and resid 45   and name HA  ))
      4.500     4.500     1.500 peak   168 spectrum    2 weight  0.11000E+01 volume  0.24184E-03 ppm1      2.208 ppm2      4.495 CV     1
 ASSI {  169}
   (( segid "PX14" and resid 45   and name HG1 ))
   (( segid "PX14" and resid 45   and name HD1 ))
      2.200     2.200     3.800 peak   169 spectrum    2 weight  0.11000E+01 volume  0.68851E-02 ppm1      2.217 ppm2      4.090 CV     1
 ASSI {  170}
   (( segid "PX14" and resid 45   and name HG1 ))
   (( segid "PX14" and resid 45   and name HD2 ))
      3.800     3.800     2.200 peak   170 spectrum    2 weight  0.11000E+01 volume  0.79304E-03 ppm1      2.194 ppm2      3.651 CV     1
 ASSI {  171}
   (( segid "PX14" and resid 45   and name HG1 ))
   (( segid "PX14" and resid 45   and name HB1 ))
      2.200     2.200     3.800 peak   171 spectrum    2 weight  0.11000E+01 volume  0.68837E-02 ppm1      2.225 ppm2      2.500 CV     1
 ASSI {  174}
   (( segid "PX14" and resid 45   and name HD2 ))
   (( segid "PX14" and resid 45   and name HD1 ))
      2.100     2.100     3.900 peak   174 spectrum    2 weight  0.11000E+01 volume  0.50429E-02 ppm1      3.611 ppm2      4.036 CV     1
 ASSI {  177}
   (( segid "PX14" and resid 45   and name HB1 ))
   (( segid "PX14" and resid 45   and name HD1 ))
      3.400     3.400     2.600 peak   177 spectrum    2 weight  0.11000E+01 volume  0.17600E-02 ppm1      2.474 ppm2      4.091 CV     1
 ASSI {  178}
   (( segid "PX14" and resid 45   and name HB2 ))
   (( segid "PX14" and resid 45   and name HD1 ))
      3.800     3.800     2.200 peak   178 spectrum    2 weight  0.11000E+01 volume  0.12075E-02 ppm1      2.049 ppm2      4.094 CV     1
 ASSI {  185}
   (( segid "PX14" and resid 22   and name HB  ))
   (  segid "PX14" and resid 22   and name HG1%)
      2.600     2.600     3.400 peak   185 spectrum    2 weight  0.11000E+01 volume  0.49166E-02 ppm1      1.981 ppm2      0.880 CV     1
 ASSI {  186}
   (( segid "PX14" and resid 22   and name HB  ))
   (( segid "PX14" and resid 22   and name HA  ))
      4.300     4.300     1.700 peak   186 spectrum    2 weight  0.11000E+01 volume  0.22307E-03 ppm1      2.005 ppm2      4.095 CV     1
 ASSI {  187}
   (  segid "PX14" and resid 22   and name HG1%)
   (( segid "PX14" and resid 22   and name HA  ))
      2.600     2.600     3.400 peak   187 spectrum    2 weight  0.11000E+01 volume  0.68166E-02 ppm1      0.844 ppm2      4.082 CV     1
 ASSI {  192}
   (( segid "PX14" and resid 33   and name HA  ))
   (  segid "PX14" and resid 33   and name HG2%)
      2.700     2.700     3.300 peak   192 spectrum    2 weight  0.11000E+01 volume  0.62226E-02 ppm1      3.282 ppm2      0.653 CV     1
 ASSI {  193}
   (( segid "PX14" and resid 33   and name HA  ))
   (  segid "PX14" and resid 33   and name HG1%)
      2.800     2.800     3.200 peak   193 spectrum    2 weight  0.11000E+01 volume  0.28541E-02 ppm1      3.293 ppm2      1.135 CV     1
 ASSI {  194}
   (( segid "PX14" and resid 33   and name HA  ))
   (( segid "PX14" and resid 33   and name HB  ))
      2.900     2.900     3.100 peak   194 spectrum    2 weight  0.11000E+01 volume  0.19955E-02 ppm1      3.288 ppm2      2.128 CV     1
 ASSI {  197}
   (  segid "PX14" and resid 33   and name HG2%)
   (  segid "PX14" and resid 33   and name HG1%)
      2.900     2.900     3.100 peak   197 spectrum    2 weight  0.11000E+01 volume  0.25486E-02 ppm1      0.628 ppm2      1.130 CV     1
 ASSI {  199}
   (  segid "PX14" and resid 33   and name HG2%)
   (( segid "PX14" and resid 33   and name HB  ))
      2.200     2.200     3.800 peak   199 spectrum    2 weight  0.11000E+01 volume  0.94433E-02 ppm1      0.628 ppm2      2.122 CV     1
 ASSI {  200}
   (  segid "PX14" and resid 33   and name HG1%)
   (( segid "PX14" and resid 33   and name HB  ))
      2.300     2.300     3.700 peak   200 spectrum    2 weight  0.11000E+01 volume  0.76533E-02 ppm1      1.109 ppm2      2.117 CV     1
 ASSI {  202}
   (( segid "PX14" and resid 41   and name HB  ))
   (  segid "PX14" and resid 41   and name HG1%)
      2.400     2.400     3.600 peak   202 spectrum    2 weight  0.11000E+01 volume  0.63202E-02 ppm1      1.904 ppm2      0.485 CV     1
 ASSI {  203}
   (( segid "PX14" and resid 41   and name HB  ))
   (  segid "PX14" and resid 41   and name HG2%)
      2.500     2.500     3.500 peak   203 spectrum    2 weight  0.11000E+01 volume  0.49399E-02 ppm1      1.918 ppm2     -0.381 CV     1
 ASSI {  204}
   (( segid "PX14" and resid 41   and name HB  ))
   (( segid "PX14" and resid 41   and name HA  ))
      3.400     3.400     2.600 peak   204 spectrum    2 weight  0.11000E+01 volume  0.90629E-03 ppm1      1.914 ppm2      3.294 CV     1
 ASSI {  208}
   (  segid "PX14" and resid 41   and name HG2%)
   (  segid "PX14" and resid 41   and name HG1%)
      2.400     2.400     3.600 peak   208 spectrum    2 weight  0.11000E+01 volume  0.75855E-02 ppm1     -0.413 ppm2      0.479 CV     1
 ASSI {  210}
   (  segid "PX14" and resid 41   and name HG2%)
   (( segid "PX14" and resid 41   and name HA  ))
      2.600     2.600     3.400 peak   210 spectrum    2 weight  0.11000E+01 volume  0.49409E-02 ppm1     -0.403 ppm2      3.314 CV     1
 ASSI {  214}
   (  segid "PX14" and resid 41   and name HG1%)
   (( segid "PX14" and resid 41   and name HA  ))
      2.300     2.300     3.700 peak   214 spectrum    2 weight  0.11000E+01 volume  0.85926E-02 ppm1      0.457 ppm2      3.319 CV     1
 ASSI {  216}
   (( segid "PX14" and resid 29   and name HB  ))
   (( segid "PX14" and resid 29   and name HA  ))
      5.000     5.000     1.000 peak   216 spectrum    2 weight  0.11000E+01 volume  0.90797E-04 ppm1      1.825 ppm2      3.414 CV     1
 ASSI {  218}
   (( segid "PX14" and resid 29   and name HG12))
   (  segid "PX14" and resid 29   and name HD1%)
      2.500     2.500     3.500 peak   218 spectrum    2 weight  0.11000E+01 volume  0.40663E-02 ppm1      1.027 ppm2      0.886 CV     1
 ASSI {  219}
   (( segid "PX14" and resid 29   and name HG12))
   (( segid "PX14" and resid 29   and name HB  ))
      4.100     4.100     1.900 peak   219 spectrum    2 weight  0.11000E+01 volume  0.37870E-03 ppm1      1.015 ppm2      1.810 CV     1
 ASSI {  220}
   (( segid "PX14" and resid 29   and name HG11))
   (  segid "PX14" and resid 29   and name HD1%)
      2.800     2.800     3.200 peak   220 spectrum    2 weight  0.11000E+01 volume  0.22288E-02 ppm1      1.617 ppm2      0.893 CV     1
 ASSI {  222}
   (  segid "PX14" and resid 29   and name HG2%)
   (( segid "PX14" and resid 29   and name HG11))
      3.000     3.000     3.000 peak   222 spectrum    2 weight  0.11000E+01 volume  0.46710E-02 ppm1      0.727 ppm2      1.631 CV     1
 ASSI {  224}
   (( segid "PX14" and resid 29   and name HA  ))
   (  segid "PX14" and resid 29   and name HG2%)
      3.000     3.000     3.000 peak   224 spectrum    2 weight  0.11000E+01 volume  0.17649E-02 ppm1      3.360 ppm2      0.728 CV     1
 ASSI {  225}
   (( segid "PX14" and resid 29   and name HA  ))
   (  segid "PX14" and resid 29   and name HD1%)
      3.700     3.700     2.300 peak   225 spectrum    2 weight  0.11000E+01 volume  0.18438E-02 ppm1      3.365 ppm2      0.884 CV     1
 ASSI {  228}
   (( segid "PX14" and resid 29   and name HG12))
   (  segid "PX14" and resid 29   and name HG2%)
      2.800     2.800     3.200 peak   228 spectrum    2 weight  0.11000E+01 volume  0.23377E-02 ppm1      1.017 ppm2      0.753 CV     1
 ASSI {  230}
   (( segid "PX14" and resid 29   and name HG11))
   (( segid "PX14" and resid 29   and name HG12))
      2.000     2.000     4.000 peak   230 spectrum    2 weight  0.11000E+01 volume  0.52926E-02 ppm1      1.612 ppm2      1.065 CV     1
 ASSI {  231}
   (( segid "PX14" and resid 29   and name HA  ))
   (( segid "PX14" and resid 29   and name HG12))
      2.700     2.700     3.300 peak   231 spectrum    2 weight  0.11000E+01 volume  0.26151E-02 ppm1      3.365 ppm2      1.035 CV     1
 ASSI {  233}
   (( segid "PX14" and resid 29   and name HG11))
   (( segid "PX14" and resid 29   and name HA  ))
      3.400     3.400     2.600 peak   233 spectrum    2 weight  0.11000E+01 volume  0.12824E-02 ppm1      1.619 ppm2      3.382 CV     1
 ASSI {  235}
   (( segid "PX14" and resid 29   and name HB  ))
   (( segid "PX14" and resid 29   and name HG11))
      2.800     2.800     3.200 peak   235 spectrum    2 weight  0.11000E+01 volume  0.16917E-02 ppm1      1.826 ppm2      1.655 CV     1
 ASSI {  237}
   (( segid "PX14" and resid 29   and name HB  ))
   (  segid "PX14" and resid 29   and name HD1%)
      4.300     4.300     1.700 peak   237 spectrum    2 weight  0.11000E+01 volume  0.21941E-03 ppm1      1.826 ppm2      0.890 CV     1
 ASSI {  238}
   (( segid "PX14" and resid 29   and name HB  ))
   (  segid "PX14" and resid 29   and name HG2%)
      2.800     2.800     3.200 peak   238 spectrum    2 weight  0.11000E+01 volume  0.24192E-02 ppm1      1.824 ppm2      0.766 CV     1
 ASSI {  239}
   (  segid "PX14" and resid 29   and name HD1%)
   (  segid "PX14" and resid 29   and name HG2%)
      3.000     3.000     3.000 peak   239 spectrum    2 weight  0.11000E+01 volume  0.16412E-02 ppm1      0.852 ppm2      0.745 CV     1
 ASSI {  244}
   (( segid "PX14" and resid 65   and name HG1 ))
   (( segid "PX14" and resid 65   and name HB1 ))
      2.300     2.300     3.700 peak   244 spectrum    2 weight  0.11000E+01 volume  0.14081E-01 ppm1      2.770 ppm2      2.524 CV     1
 ASSI {  248}
   (( segid "PX14" and resid 65   and name HB1 ))
   (( segid "PX14" and resid 65   and name HA  ))
      3.300     3.300     2.700 peak   248 spectrum    2 weight  0.11000E+01 volume  0.13121E-02 ppm1      2.094 ppm2      4.092 CV     1
 ASSI {  251}
   (( segid "PX14" and resid 65   and name HA  ))
   (( segid "PX14" and resid 65   and name HB2 ))
      2.300     2.300     3.700 peak   251 spectrum    2 weight  0.11000E+01 volume  0.73728E-02 ppm1      4.052 ppm2      2.111 CV     1
 ASSI {  252}
   (( segid "PX14" and resid 65   and name HA  ))
   (( segid "PX14" and resid 65   and name HG1 ))
      6.000     4.600     0.000 peak   252 spectrum    2 weight  0.11000E+01 volume  0.31656E-04 ppm1      4.054 ppm2      2.825 CV     1
 ASSI {  253}
   (  segid "PX14" and resid 65   and name HE% )
   (( segid "PX14" and resid 65   and name HG1 ))
      5.400     5.400     0.600 peak   253 spectrum    2 weight  0.11000E+01 volume  0.57882E-04 ppm1      1.996 ppm2      2.817 CV     1
 ASSI {  254}
   (  segid "PX14" and resid 65   and name HE% )
   (( segid "PX14" and resid 65   and name HA  ))
      5.300     5.300     0.700 peak   254 spectrum    2 weight  0.11000E+01 volume  0.31793E-04 ppm1      1.989 ppm2      4.083 CV     1
 ASSI {  256}
   (( segid "PX14" and resid 28   and name HA  ))
   (( segid "PX14" and resid 28   and name HB1 ))
      2.800     2.800     3.200 peak   256 spectrum    2 weight  0.11000E+01 volume  0.24051E-02 ppm1      4.110 ppm2      1.717 CV     1
 ASSI {  258}
   (( segid "PX14" and resid 28   and name HB1 ))
   (  segid "PX14" and resid 28   and name HD2%)
      2.400     2.400     3.600 peak   258 spectrum    2 weight  0.11000E+01 volume  0.61625E-02 ppm1      1.678 ppm2      0.909 CV     1
 ASSI {  259}
   (( segid "PX14" and resid 28   and name HB1 ))
   (  segid "PX14" and resid 28   and name HD1%)
      3.300     3.300     2.700 peak   259 spectrum    2 weight  0.11000E+01 volume  0.18467E-02 ppm1      1.678 ppm2      1.003 CV     1
 ASSI {  261}
   (( segid "PX14" and resid 28   and name HA  ))
   (  segid "PX14" and resid 28   and name HD1%)
      3.100     3.100     2.900 peak   261 spectrum    2 weight  0.11000E+01 volume  0.23485E-02 ppm1      4.112 ppm2      1.006 CV     1
 ASSI {  262}
   (( segid "PX14" and resid 28   and name HA  ))
   (  segid "PX14" and resid 28   and name HD2%)
      3.200     3.200     2.800 peak   262 spectrum    2 weight  0.11000E+01 volume  0.18927E-02 ppm1      4.112 ppm2      0.913 CV     1
 ASSI {  264}
   (( segid "PX14" and resid 28   and name HG  ))
   (  segid "PX14" and resid 28   and name HD2%)
      2.300     2.300     3.700 peak   264 spectrum    2 weight  0.11000E+01 volume  0.84041E-02 ppm1      1.592 ppm2      0.921 CV     1
 ASSI {  265}
   (( segid "PX14" and resid 28   and name HA  ))
   (( segid "PX14" and resid 28   and name HG  ))
      4.400     4.400     1.600 peak   265 spectrum    2 weight  0.11000E+01 volume  0.20709E-03 ppm1      4.115 ppm2      1.641 CV     1
 ASSI {  271}
   (  segid "PX14" and resid 28   and name HD1%)
   (( segid "PX14" and resid 28   and name HG  ))
      3.000     3.000     3.000 peak   271 spectrum    2 weight  0.11000E+01 volume  0.16983E-02 ppm1      0.972 ppm2      1.623 CV     1
 ASSI {  273}
   (( segid "PX14" and resid 46   and name HG  ))
   (  segid "PX14" and resid 46   and name HD1%)
      4.500     4.500     1.500 peak   273 spectrum    2 weight  0.11000E+01 volume  0.14537E-03 ppm1      1.475 ppm2      0.733 CV     1
 ASSI {  274}
   (( segid "PX14" and resid 46   and name HG  ))
   (  segid "PX14" and resid 46   and name HD2%)
      3.400     3.400     2.600 peak   274 spectrum    2 weight  0.11000E+01 volume  0.82518E-03 ppm1      1.478 ppm2      0.684 CV     1
 ASSI {  275}
   (( segid "PX14" and resid 46   and name HG  ))
   (( segid "PX14" and resid 46   and name HA  ))
      6.000     6.000     0.000 peak   275 spectrum    2 weight  0.11000E+01 volume  0.21423E-04 ppm1      1.485 ppm2      3.916 CV     1
 ASSI {  277}
   (( segid "PX14" and resid 46   and name HB1 ))
   (  segid "PX14" and resid 46   and name HD1%)
      3.000     3.000     3.000 peak   277 spectrum    2 weight  0.11000E+01 volume  0.35379E-02 ppm1      1.592 ppm2      0.688 CV     1
 ASSI {  278}
   (( segid "PX14" and resid 46   and name HB1 ))
   (  segid "PX14" and resid 46   and name HD2%)
      3.900     3.900     2.100 peak   278 spectrum    2 weight  0.11000E+01 volume  0.38646E-03 ppm1      1.596 ppm2      0.612 CV     1
 ASSI {  282}
   (  segid "PX14" and resid 46   and name HD1%)
   (( segid "PX14" and resid 46   and name HA  ))
      2.600     2.600     3.400 peak   282 spectrum    2 weight  0.11000E+01 volume  0.51550E-02 ppm1      0.611 ppm2      3.875 CV     1
 ASSI {  284}
   (( segid "PX14" and resid 46   and name HA  ))
   (( segid "PX14" and resid 46   and name HB1 ))
      2.700     2.700     3.300 peak   284 spectrum    2 weight  0.11000E+01 volume  0.34303E-02 ppm1      3.850 ppm2      1.605 CV     1
 ASSI {  286}
   (( segid "PX14" and resid 46   and name HA  ))
   (  segid "PX14" and resid 46   and name HD2%)
      3.200     3.200     2.800 peak   286 spectrum    2 weight  0.11000E+01 volume  0.23664E-02 ppm1      3.850 ppm2      0.613 CV     1
 ASSI {  296}
   (( segid "PX14" and resid 34   and name HB1 ))
   (( segid "PX14" and resid 34   and name HA  ))
      2.600     2.600     3.400 peak   296 spectrum    2 weight  0.11000E+01 volume  0.36150E-02 ppm1      1.842 ppm2      4.025 CV     1
 ASSI {  297}
   (( segid "PX14" and resid 34   and name HB1 ))
   (( segid "PX14" and resid 34   and name HG2 ))
      2.500     2.500     3.500 peak   297 spectrum    2 weight  0.11000E+01 volume  0.41773E-02 ppm1      1.837 ppm2      1.455 CV     1
 ASSI {  298}
   (( segid "PX14" and resid 34   and name HB1 ))
   (( segid "PX14" and resid 34   and name HG1 ))
      3.400     3.400     2.600 peak   298 spectrum    2 weight  0.11000E+01 volume  0.12203E-02 ppm1      1.835 ppm2      1.612 CV     1
 ASSI {  300}
   (( segid "PX14" and resid 34   and name HA  ))
   (( segid "PX14" and resid 34   and name HG1 ))
      3.700     3.700     2.300 peak   300 spectrum    2 weight  0.11000E+01 volume  0.58207E-03 ppm1      3.998 ppm2      1.455 CV     1
 ASSI {  303}
   (( segid "PX14" and resid 34   and name HG1 ))
   (( segid "PX14" and resid 34   and name HE1 ))
      2.800     2.800     3.200 peak   303 spectrum    2 weight  0.11000E+01 volume  0.29683E-02 ppm1      1.453 ppm2      2.870 CV     1
 ASSI {  305}
   (( segid "PX14" and resid 34   and name HG2 ))
   (( segid "PX14" and resid 34   and name HA  ))
      3.100     3.100     2.900 peak   305 spectrum    2 weight  0.11000E+01 volume  0.16348E-02 ppm1      1.380 ppm2      3.995 CV     1
 ASSI {  306}
   (( segid "PX14" and resid 34   and name HD1 ))
   (( segid "PX14" and resid 34   and name HA  ))
      3.000     3.000     3.000 peak   306 spectrum    2 weight  0.11000E+01 volume  0.42294E-02 ppm1      1.600 ppm2      4.031 CV     1
 ASSI {  308}
   (( segid "PX14" and resid 34   and name HE1 ))
   (( segid "PX14" and resid 34   and name HD1 ))
      2.400     2.400     3.600 peak   308 spectrum    2 weight  0.11000E+01 volume  0.68334E-02 ppm1      2.857 ppm2      1.633 CV     1
 ASSI {  310}
   (( segid "PX14" and resid 34   and name HE1 ))
   (( segid "PX14" and resid 34   and name HG2 ))
      3.600     3.600     2.400 peak   310 spectrum    2 weight  0.11000E+01 volume  0.11885E-02 ppm1      2.860 ppm2      1.356 CV     1
 ASSI {  311}
   (( segid "PX14" and resid 34   and name HE1 ))
   (( segid "PX14" and resid 34   and name HA  ))
      5.400     5.400     0.600 peak   311 spectrum    2 weight  0.11000E+01 volume  0.11866E-03 ppm1      2.853 ppm2      4.044 CV     1
 ASSI {  317}
   (( segid "PX14" and resid 36   and name HB1 ))
   (( segid "PX14" and resid 36   and name HA  ))
      4.600     4.600     1.400 peak   317 spectrum    2 weight  0.11000E+01 volume  0.11122E-03 ppm1      1.800 ppm2      3.394 CV     1
 ASSI {  319}
   (( segid "PX14" and resid 36   and name HG  ))
   (( segid "PX14" and resid 36   and name HB2 ))
      3.800     3.800     2.200 peak   319 spectrum    2 weight  0.11000E+01 volume  0.40821E-03 ppm1      2.024 ppm2      1.232 CV     1
 ASSI {  320}
   (( segid "PX14" and resid 36   and name HG  ))
   (  segid "PX14" and resid 36   and name HD1%)
      2.800     2.800     3.200 peak   320 spectrum    2 weight  0.11000E+01 volume  0.23355E-02 ppm1      2.013 ppm2      0.560 CV     1
 ASSI {  321}
   (( segid "PX14" and resid 36   and name HG  ))
   (( segid "PX14" and resid 36   and name HA  ))
      3.300     3.300     2.700 peak   321 spectrum    2 weight  0.11000E+01 volume  0.11171E-02 ppm1      2.020 ppm2      3.393 CV     1
 ASSI {  322}
   (( segid "PX14" and resid 36   and name HB1 ))
   (( segid "PX14" and resid 36   and name HG  ))
      3.200     3.200     2.800 peak   322 spectrum    2 weight  0.11000E+01 volume  0.12761E-02 ppm1      1.718 ppm2      2.061 CV     1
 ASSI {  323}
   (( segid "PX14" and resid 53   and name HB2 ))
   (( segid "PX14" and resid 53   and name HB1 ))
      1.900     1.900     4.100 peak   323 spectrum    2 weight  0.11000E+01 volume  0.74634E-02 ppm1      1.201 ppm2      2.023 CV     1
 ASSI {  324}
   (( segid "PX14" and resid 36   and name HB1 ))
   (  segid "PX14" and resid 36   and name HD1%)
      3.900     3.900     2.100 peak   324 spectrum    2 weight  0.11000E+01 volume  0.56390E-03 ppm1      1.781 ppm2      0.556 CV     1
 ASSI {  325}
   (( segid "PX14" and resid 36   and name HB2 ))
   (  segid "PX14" and resid 36   and name HD1%)
      2.500     2.500     3.500 peak   325 spectrum    2 weight  0.11000E+01 volume  0.41157E-02 ppm1      1.194 ppm2      0.552 CV     1
 ASSI {  326}
   (( segid "PX14" and resid 36   and name HB2 ))
   (  segid "PX14" and resid 36   and name HD2%)
      3.200     3.200     2.800 peak   326 spectrum    2 weight  0.11000E+01 volume  0.24686E-02 ppm1      1.201 ppm2      0.178 CV     1
 ASSI {  327}
   (( segid "PX14" and resid 36   and name HB1 ))
   (  segid "PX14" and resid 36   and name HD2%)
      2.700     2.700     3.300 peak   327 spectrum    2 weight  0.11000E+01 volume  0.27203E-02 ppm1      1.785 ppm2      0.182 CV     1
 ASSI {  330}
   (  segid "PX14" and resid 36   and name HD1%)
   (  segid "PX14" and resid 36   and name HD2%)
      2.300     2.300     3.700 peak   330 spectrum    2 weight  0.11000E+01 volume  0.92166E-02 ppm1      0.524 ppm2      0.187 CV     1
 ASSI {  332}
   (  segid "PX14" and resid 36   and name HD2%)
   (( segid "PX14" and resid 36   and name HG  ))
      2.500     2.500     3.500 peak   332 spectrum    2 weight  0.11000E+01 volume  0.39692E-02 ppm1      0.151 ppm2      2.043 CV     1
 ASSI {  333}
   (  segid "PX14" and resid 36   and name HD2%)
   (( segid "PX14" and resid 36   and name HA  ))
      4.600     4.600     1.400 peak   333 spectrum    2 weight  0.11000E+01 volume  0.16143E-03 ppm1      0.167 ppm2      3.399 CV     1
 ASSI {  335}
   (( segid "PX14" and resid 36   and name HA  ))
   (  segid "PX14" and resid 36   and name HD1%)
      2.700     2.700     3.300 peak   335 spectrum    2 weight  0.11000E+01 volume  0.69864E-02 ppm1      3.360 ppm2      0.561 CV     1
 ASSI {  341}
   (( segid "PX14" and resid 58   and name HB1 ))
   (( segid "PX14" and resid 58   and name HA  ))
      2.800     2.800     3.200 peak   341 spectrum    2 weight  0.11000E+01 volume  0.21292E-02 ppm1      1.873 ppm2      4.407 CV     1
 ASSI {  342}
   (( segid "PX14" and resid 58   and name HB2 ))
   (( segid "PX14" and resid 58   and name HA  ))
      3.200     3.200     2.800 peak   342 spectrum    2 weight  0.11000E+01 volume  0.17747E-02 ppm1      1.081 ppm2      4.401 CV     1
 ASSI {  344}
   (( segid "PX14" and resid 58   and name HB2 ))
   (( segid "PX14" and resid 58   and name HB1 ))
      1.900     1.900     4.100 peak   344 spectrum    2 weight  0.11000E+01 volume  0.69414E-02 ppm1      1.092 ppm2      1.904 CV     1
 ASSI {  348}
   (( segid "PX14" and resid 58   and name HA  ))
   (( segid "PX14" and resid 58   and name HG  ))
      2.600     2.600     3.400 peak   348 spectrum    2 weight  0.11000E+01 volume  0.39137E-02 ppm1      4.381 ppm2      1.665 CV     1
 ASSI {  350}
   (( segid "PX14" and resid 58   and name HG  ))
   (  segid "PX14" and resid 58   and name HD2%)
      2.900     2.900     3.100 peak   350 spectrum    2 weight  0.11000E+01 volume  0.19160E-02 ppm1      1.660 ppm2      0.903 CV     1
 ASSI {  351}
   (  segid "PX14" and resid 58   and name HD1%)
   (( segid "PX14" and resid 58   and name HB2 ))
      2.500     2.500     3.500 peak   351 spectrum    2 weight  0.11000E+01 volume  0.41645E-02 ppm1      0.690 ppm2      1.122 CV     1
 ASSI {  352}
   (  segid "PX14" and resid 58   and name HD1%)
   (  segid "PX14" and resid 58   and name HD2%)
      2.700     2.700     3.300 peak   352 spectrum    2 weight  0.11000E+01 volume  0.38032E-02 ppm1      0.687 ppm2      0.899 CV     1
 ASSI {  353}
   (  segid "PX14" and resid 58   and name HD1%)
   (( segid "PX14" and resid 58   and name HG  ))
      2.200     2.200     3.800 peak   353 spectrum    2 weight  0.11000E+01 volume  0.10091E-01 ppm1      0.689 ppm2      1.692 CV     1
 ASSI {  354}
   (  segid "PX14" and resid 58   and name HD1%)
   (( segid "PX14" and resid 58   and name HA  ))
      4.100     4.100     1.900 peak   354 spectrum    2 weight  0.11000E+01 volume  0.62731E-03 ppm1      0.690 ppm2      4.407 CV     1
 ASSI {  357}
   (  segid "PX14" and resid 58   and name HD2%)
   (( segid "PX14" and resid 58   and name HA  ))
      2.900     2.900     3.100 peak   357 spectrum    2 weight  0.11000E+01 volume  0.27055E-02 ppm1      0.890 ppm2      4.399 CV     1
 ASSI {  360}
   (( segid "PX14" and resid 58   and name HB1 ))
   (  segid "PX14" and resid 58   and name HD2%)
      3.100     3.100     2.900 peak   360 spectrum    2 weight  0.11000E+01 volume  0.10631E-02 ppm1      1.878 ppm2      0.924 CV     1
 ASSI {  361}
   (( segid "PX14" and resid 58   and name HB2 ))
   (  segid "PX14" and resid 58   and name HD2%)
      3.500     3.500     2.500 peak   361 spectrum    2 weight  0.11000E+01 volume  0.15394E-02 ppm1      1.109 ppm2      0.881 CV     1
 ASSI {  362}
   (( segid "PX14" and resid 58   and name HB1 ))
   (  segid "PX14" and resid 58   and name HD1%)
      3.100     3.100     2.900 peak   362 spectrum    2 weight  0.11000E+01 volume  0.20250E-02 ppm1      1.873 ppm2      0.707 CV     1
 ASSI {  368}
   (( segid "PX14" and resid 53   and name HB1 ))
   (( segid "PX14" and resid 53   and name HA  ))
      3.800     3.800     2.200 peak   368 spectrum    2 weight  0.11000E+01 volume  0.28962E-03 ppm1      1.997 ppm2      3.472 CV     1
 ASSI {  372}
   (( segid "PX14" and resid 54   and name HD1 ))
   (( segid "PX14" and resid 54   and name HE1 ))
      2.300     2.300     3.700 peak   372 spectrum    2 weight  0.11000E+01 volume  0.10819E-01 ppm1      1.606 ppm2      2.859 CV     1
 ASSI {  373}
   (( segid "PX14" and resid 54   and name HD1 ))
   (( segid "PX14" and resid 54   and name HA  ))
      3.100     3.100     2.900 peak   373 spectrum    2 weight  0.11000E+01 volume  0.36134E-02 ppm1      1.602 ppm2      4.036 CV     1
 ASSI {  374}
   (( segid "PX14" and resid 54   and name HD1 ))
   (( segid "PX14" and resid 54   and name HG2 ))
      2.300     2.300     3.700 peak   374 spectrum    2 weight  0.11000E+01 volume  0.52112E-02 ppm1      1.599 ppm2      1.400 CV     1
 ASSI {  376}
   (( segid "PX14" and resid 54   and name HB1 ))
   (( segid "PX14" and resid 54   and name HE1 ))
      3.500     3.500     2.500 peak   376 spectrum    2 weight  0.11000E+01 volume  0.18525E-02 ppm1      1.769 ppm2      2.870 CV     1
 ASSI {  377}
   (( segid "PX14" and resid 54   and name HB1 ))
   (( segid "PX14" and resid 54   and name HA  ))
      2.300     2.300     3.700 peak   377 spectrum    2 weight  0.11000E+01 volume  0.10501E-01 ppm1      1.768 ppm2      4.136 CV     1
 ASSI {  378}
   (( segid "PX14" and resid 54   and name HB1 ))
   (( segid "PX14" and resid 54   and name HG1 ))
      2.200     2.200     3.800 peak   378 spectrum    2 weight  0.11000E+01 volume  0.17707E-01 ppm1      1.761 ppm2      1.493 CV     1
 ASSI {  382}
   (( segid "PX14" and resid 54   and name HA  ))
   (( segid "PX14" and resid 54   and name HG1 ))
      4.800     4.800     1.200 peak   382 spectrum    2 weight  0.11000E+01 volume  0.11285E-03 ppm1      4.106 ppm2      1.483 CV     1
 ASSI {  383}
   (( segid "PX14" and resid 54   and name HG2 ))
   (( segid "PX14" and resid 54   and name HE1 ))
      4.300     4.300     1.700 peak   383 spectrum    2 weight  0.11000E+01 volume  0.37033E-03 ppm1      1.296 ppm2      2.871 CV     1
 ASSI {  384}
   (( segid "PX14" and resid 54   and name HG1 ))
   (( segid "PX14" and resid 54   and name HE1 ))
      3.200     3.200     2.800 peak   384 spectrum    2 weight  0.11000E+01 volume  0.16027E-02 ppm1      1.435 ppm2      2.871 CV     1
 ASSI {  390}
   (( segid "PX14" and resid 62   and name HB2 ))
   (( segid "PX14" and resid 62   and name HB1 ))
      1.900     1.900     4.100 peak   390 spectrum    2 weight  0.11000E+01 volume  0.81518E-02 ppm1      1.659 ppm2      2.486 CV     1
 ASSI {  397}
   (( segid "PX14" and resid 56   and name HG2 ))
   (( segid "PX14" and resid 56   and name HB1 ))
      3.000     3.000     3.000 peak   397 spectrum    2 weight  0.11000E+01 volume  0.15313E-02 ppm1     -1.197 ppm2      1.094 CV     1
 ASSI {  398}
   (( segid "PX14" and resid 56   and name HG1 ))
   (( segid "PX14" and resid 56   and name HB1 ))
      2.800     2.800     3.200 peak   398 spectrum    2 weight  0.11000E+01 volume  0.18827E-02 ppm1     -0.128 ppm2      1.091 CV     1
 ASSI {  399}
   (( segid "PX14" and resid 56   and name HG1 ))
   (( segid "PX14" and resid 56   and name HA  ))
      4.800     4.800     1.200 peak   399 spectrum    2 weight  0.11000E+01 volume  0.17582E-03 ppm1     -0.134 ppm2      3.761 CV     1
 ASSI {  403}
   (( segid "PX14" and resid 56   and name HD1 ))
   (( segid "PX14" and resid 56   and name HA  ))
      2.100     2.100     3.900 peak   403 spectrum    2 weight  0.11000E+01 volume  0.66862E-02 ppm1      0.772 ppm2      3.776 CV     1
 ASSI {  404}
   (( segid "PX14" and resid 56   and name HD2 ))
   (( segid "PX14" and resid 56   and name HA  ))
      4.500     4.500     1.500 peak   404 spectrum    2 weight  0.11000E+01 volume  0.10239E-02 ppm1      0.572 ppm2      3.766 CV     1
 ASSI {  405}
   (( segid "PX14" and resid 56   and name HB1 ))
   (( segid "PX14" and resid 56   and name HD2 ))
      4.200     4.200     1.800 peak   405 spectrum    2 weight  0.11000E+01 volume  0.53140E-03 ppm1      1.171 ppm2      0.583 CV     1
 ASSI {  408}
   (( segid "PX14" and resid 56   and name HA  ))
   (( segid "PX14" and resid 56   and name HB1 ))
      2.800     2.800     3.200 peak   408 spectrum    2 weight  0.11000E+01 volume  0.28940E-02 ppm1      3.725 ppm2      1.207 CV     1
 ASSI {  412}
   (( segid "PX14" and resid 50   and name HG1 ))
   (( segid "PX14" and resid 50   and name HB2 ))
      3.400     3.400     2.600 peak   412 spectrum    2 weight  0.11000E+01 volume  0.52349E-03 ppm1      1.485 ppm2      1.756 CV     1
 ASSI {  414}
   (( segid "PX14" and resid 20   and name HG1 ))
   (( segid "PX14" and resid 20   and name HB1 ))
      2.000     2.000     4.000 peak   414 spectrum    2 weight  0.11000E+01 volume  0.33255E-01 ppm1      2.205 ppm2      2.024 CV     1
 ASSI {  415}
   (( segid "PX14" and resid 20   and name HG1 ))
   (( segid "PX14" and resid 20   and name HB2 ))
      2.200     2.200     3.800 peak   415 spectrum    2 weight  0.11000E+01 volume  0.11801E-01 ppm1      2.202 ppm2      1.880 CV     1
 ASSI {  416}
   (( segid "PX14" and resid 20   and name HG1 ))
   (( segid "PX14" and resid 20   and name HA  ))
      6.000     6.000     0.000 peak   416 spectrum    2 weight  0.11000E+01 volume  0.40679E-04 ppm1      2.199 ppm2      4.263 CV     1
 ASSI {  419}
   (( segid "PX14" and resid 20   and name HB1 ))
   (( segid "PX14" and resid 20   and name HA  ))
      3.500     3.500     2.500 peak   419 spectrum    2 weight  0.11000E+01 volume  0.76788E-03 ppm1      1.985 ppm2      4.264 CV     1
 ASSI {  420}
   (( segid "PX14" and resid 20   and name HB2 ))
   (( segid "PX14" and resid 20   and name HA  ))
      4.300     4.300     1.700 peak   420 spectrum    2 weight  0.11000E+01 volume  0.30142E-03 ppm1      1.869 ppm2      4.262 CV     1
 ASSI {  425}
   (( segid "PX14" and resid 21   and name HA  ))
   (( segid "PX14" and resid 21   and name HB1 ))
      3.500     3.500     2.500 peak   425 spectrum    2 weight  0.11000E+01 volume  0.76741E-03 ppm1      4.657 ppm2      2.769 CV     1
 ASSI {  432}
   (( segid "PX14" and resid 37   and name HB1 ))
   (( segid "PX14" and resid 37   and name HG1 ))
      2.300     2.300     3.700 peak   432 spectrum    2 weight  0.11000E+01 volume  0.15287E-01 ppm1      2.022 ppm2      2.356 CV     1
 ASSI {  434}
   (( segid "PX14" and resid 37   and name HB1 ))
   (( segid "PX14" and resid 37   and name HA  ))
      2.600     2.600     3.400 peak   434 spectrum    2 weight  0.11000E+01 volume  0.39342E-02 ppm1      2.032 ppm2      3.962 CV     1
 ASSI {  436}
   (( segid "PX14" and resid 37   and name HA  ))
   (( segid "PX14" and resid 37   and name HB2 ))
      2.900     2.900     3.100 peak   436 spectrum    2 weight  0.11000E+01 volume  0.37470E-02 ppm1      3.941 ppm2      2.048 CV     1
 ASSI {  437}
   (( segid "PX14" and resid 37   and name HA  ))
   (( segid "PX14" and resid 37   and name HG2 ))
      2.600     2.600     3.400 peak   437 spectrum    2 weight  0.11000E+01 volume  0.40113E-02 ppm1      3.941 ppm2      2.214 CV     1
 ASSI {  438}
   (( segid "PX14" and resid 37   and name HA  ))
   (( segid "PX14" and resid 37   and name HG1 ))
      4.100     4.100     1.900 peak   438 spectrum    2 weight  0.11000E+01 volume  0.55607E-03 ppm1      3.938 ppm2      2.723 CV     1
 ASSI {  441}
   (( segid "PX14" and resid 37   and name HG1 ))
   (( segid "PX14" and resid 37   and name HG2 ))
      1.900     1.900     4.100 peak   441 spectrum    2 weight  0.11000E+01 volume  0.11514E-01 ppm1      2.701 ppm2      2.222 CV     1
 ASSI {  450}
   (( segid "PX14" and resid 43   and name HG1 ))
   (( segid "PX14" and resid 43   and name HB2 ))
      2.500     2.500     3.500 peak   450 spectrum    2 weight  0.11000E+01 volume  0.45301E-02 ppm1      2.530 ppm2      2.039 CV     1
 ASSI {  451}
   (( segid "PX14" and resid 43   and name HG2 ))
   (( segid "PX14" and resid 43   and name HB2 ))
      2.600     2.600     3.400 peak   451 spectrum    2 weight  0.11000E+01 volume  0.71736E-02 ppm1      2.332 ppm2      2.019 CV     1
 ASSI {  452}
   (( segid "PX14" and resid 43   and name HG2 ))
   (( segid "PX14" and resid 43   and name HA  ))
      3.000     3.000     3.000 peak   452 spectrum    2 weight  0.11000E+01 volume  0.27198E-02 ppm1      2.332 ppm2      4.278 CV     1
 ASSI {  453}
   (( segid "PX14" and resid 43   and name HG1 ))
   (( segid "PX14" and resid 43   and name HA  ))
      3.800     3.800     2.200 peak   453 spectrum    2 weight  0.11000E+01 volume  0.57342E-03 ppm1      2.524 ppm2      4.283 CV     1
 ASSI {  455}
   (( segid "PX14" and resid 43   and name HB1 ))
   (( segid "PX14" and resid 43   and name HB2 ))
      1.700     1.700     4.300 peak   455 spectrum    2 weight  0.11000E+01 volume  0.21213E-01 ppm1      2.237 ppm2      2.032 CV     1
 ASSI {  456}
   (( segid "PX14" and resid 43   and name HB1 ))
   (( segid "PX14" and resid 43   and name HG1 ))
      2.600     2.600     3.400 peak   456 spectrum    2 weight  0.11000E+01 volume  0.74245E-02 ppm1      2.235 ppm2      2.536 CV     1
 ASSI {  459}
   (( segid "PX14" and resid 43   and name HB1 ))
   (( segid "PX14" and resid 43   and name HA  ))
      4.100     4.100     1.900 peak   459 spectrum    2 weight  0.11000E+01 volume  0.29146E-03 ppm1      2.249 ppm2      4.283 CV     1
 ASSI {  467}
   (( segid "PX14" and resid 60   and name HB2 ))
   (( segid "PX14" and resid 60   and name HB1 ))
      1.900     1.900     4.100 peak   467 spectrum    2 weight  0.11000E+01 volume  0.15915E-01 ppm1      2.434 ppm2      2.642 CV     1
 ASSI {  468}
   (( segid "PX14" and resid 60   and name HB2 ))
   (( segid "PX14" and resid 60   and name HA  ))
      3.800     3.800     2.200 peak   468 spectrum    2 weight  0.11000E+01 volume  0.38719E-03 ppm1      2.430 ppm2      4.182 CV     1
 ASSI {  469}
   (( segid "PX14" and resid 60   and name HB1 ))
   (( segid "PX14" and resid 60   and name HA  ))
      3.400     3.400     2.600 peak   469 spectrum    2 weight  0.11000E+01 volume  0.12073E-02 ppm1      2.616 ppm2      4.185 CV     1
 ASSI {  474}
   (( segid "PX14" and resid 62   and name HB2 ))
   (( segid "PX14" and resid 62   and name HA  ))
      3.100     3.100     2.900 peak   474 spectrum    2 weight  0.11000E+01 volume  0.23996E-02 ppm1      1.657 ppm2      3.841 CV     1
 ASSI {  475}
   (( segid "PX14" and resid 62   and name HB1 ))
   (( segid "PX14" and resid 62   and name HA  ))
      5.100     5.100     0.900 peak   475 spectrum    2 weight  0.11000E+01 volume  0.52784E-04 ppm1      2.464 ppm2      3.842 CV     1
 ASSI {  476}
   (( segid "PX14" and resid 62   and name HB2 ))
   (( segid "PX14" and resid 62   and name HG2 ))
      3.300     3.300     2.700 peak   476 spectrum    2 weight  0.11000E+01 volume  0.14310E-02 ppm1      1.651 ppm2      2.149 CV     1
 ASSI {  477}
   (( segid "PX14" and resid 62   and name HB1 ))
   (( segid "PX14" and resid 62   and name HG2 ))
      3.000     3.000     3.000 peak   477 spectrum    2 weight  0.11000E+01 volume  0.12746E-02 ppm1      2.448 ppm2      2.153 CV     1
 ASSI {  479}
   (( segid "PX14" and resid 62   and name HG2 ))
   (( segid "PX14" and resid 62   and name HG1 ))
      2.000     2.000     4.000 peak   479 spectrum    2 weight  0.11000E+01 volume  0.81780E-02 ppm1      2.104 ppm2      2.455 CV     1
 ASSI {  482}
   (( segid "PX14" and resid 62   and name HG1 ))
   (( segid "PX14" and resid 62   and name HB2 ))
      2.900     2.900     3.100 peak   482 spectrum    2 weight  0.11000E+01 volume  0.11564E-02 ppm1      2.406 ppm2      1.655 CV     1
 ASSI {  484}
   (( segid "PX14" and resid 62   and name HG1 ))
   (( segid "PX14" and resid 62   and name HA  ))
      3.500     3.500     2.500 peak   484 spectrum    2 weight  0.11000E+01 volume  0.13474E-02 ppm1      2.417 ppm2      3.808 CV     1
 ASSI {  485}
   (( segid "PX14" and resid 62   and name HG2 ))
   (( segid "PX14" and resid 62   and name HA  ))
      2.900     2.900     3.100 peak   485 spectrum    2 weight  0.11000E+01 volume  0.20131E-02 ppm1      2.109 ppm2      3.833 CV     1
 ASSI {  490}
   (( segid "PX14" and resid 64   and name HA  ))
   (( segid "PX14" and resid 64   and name HB2 ))
      2.700     2.700     3.300 peak   490 spectrum    2 weight  0.11000E+01 volume  0.31400E-02 ppm1      4.389 ppm2      2.625 CV     1
 ASSI {  496}
   (( segid "PX14" and resid 64   and name HB2 ))
   (( segid "PX14" and resid 64   and name HB1 ))
      1.900     1.900     4.100 peak   496 spectrum    2 weight  0.11000E+01 volume  0.13971E-01 ppm1      2.603 ppm2      2.831 CV     1
 ASSI {  498}
   (( segid "PX14" and resid 69   and name HG2 ))
   (( segid "PX14" and resid 69   and name HA  ))
      2.500     2.500     3.500 peak   498 spectrum    2 weight  0.11000E+01 volume  0.60242E-02 ppm1      2.308 ppm2      4.061 CV     1
 ASSI {  499}
   (( segid "PX14" and resid 69   and name HG1 ))
   (( segid "PX14" and resid 69   and name HA  ))
      3.000     3.000     3.000 peak   499 spectrum    2 weight  0.11000E+01 volume  0.34225E-02 ppm1      2.539 ppm2      4.052 CV     1
 ASSI {  504}
   (( segid "PX14" and resid 69   and name HG1 ))
   (( segid "PX14" and resid 69   and name HB1 ))
      2.800     2.800     3.200 peak   504 spectrum    2 weight  0.11000E+01 volume  0.32743E-02 ppm1      2.556 ppm2      2.061 CV     1
 ASSI {  505}
   (( segid "PX14" and resid 69   and name HG2 ))
   (( segid "PX14" and resid 69   and name HB1 ))
      2.800     2.800     3.200 peak   505 spectrum    2 weight  0.11000E+01 volume  0.34958E-02 ppm1      2.297 ppm2      2.069 CV     1
 ASSI {  506}
   (( segid "PX14" and resid 69   and name HG1 ))
   (( segid "PX14" and resid 69   and name HB2 ))
      3.000     3.000     3.000 peak   506 spectrum    2 weight  0.11000E+01 volume  0.13227E-02 ppm1      2.556 ppm2      1.880 CV     1
 ASSI {  507}
   (( segid "PX14" and resid 69   and name HG2 ))
   (( segid "PX14" and resid 69   and name HB2 ))
      3.000     3.000     3.000 peak   507 spectrum    2 weight  0.11000E+01 volume  0.21744E-02 ppm1      2.299 ppm2      1.906 CV     1
 ASSI {  508}
   (( segid "PX14" and resid 25   and name HB2 ))
   (( segid "PX14" and resid 25   and name HA  ))
      3.100     3.100     2.900 peak   508 spectrum    2 weight  0.11000E+01 volume  0.20048E-02 ppm1      1.792 ppm2      4.352 CV     1
 ASSI {  509}
   (( segid "PX14" and resid 25   and name HB1 ))
   (( segid "PX14" and resid 25   and name HA  ))
      3.000     3.000     3.000 peak   509 spectrum    2 weight  0.11000E+01 volume  0.14014E-02 ppm1      2.004 ppm2      4.348 CV     1
 ASSI {  510}
   (( segid "PX14" and resid 25   and name HB2 ))
   (( segid "PX14" and resid 25   and name HD1 ))
      4.600     4.600     1.400 peak   510 spectrum    2 weight  0.11000E+01 volume  0.21715E-03 ppm1      1.787 ppm2      3.254 CV     1
 ASSI {  511}
   (( segid "PX14" and resid 25   and name HB1 ))
   (( segid "PX14" and resid 25   and name HD2 ))
      4.800     4.800     1.200 peak   511 spectrum    2 weight  0.11000E+01 volume  0.16887E-03 ppm1      2.004 ppm2      3.048 CV     1
 ASSI {  512}
   (( segid "PX14" and resid 25   and name HB1 ))
   (( segid "PX14" and resid 25   and name HD1 ))
      6.000     6.000     0.000 peak   512 spectrum    2 weight  0.11000E+01 volume  0.13229E-04 ppm1      2.018 ppm2      3.257 CV     1
 ASSI {  515}
   (( segid "PX14" and resid 75   and name HB2 ))
   (( segid "PX14" and resid 75   and name HA  ))
      3.400     3.400     2.600 peak   515 spectrum    2 weight  0.11000E+01 volume  0.90985E-03 ppm1      2.505 ppm2      4.502 CV     1
 ASSI {  516}
   (( segid "PX14" and resid 75   and name HB1 ))
   (( segid "PX14" and resid 75   and name HA  ))
      3.300     3.300     2.700 peak   516 spectrum    2 weight  0.11000E+01 volume  0.14304E-02 ppm1      2.623 ppm2      4.502 CV     1
 ASSI {  522}
   (( segid "PX14" and resid 25   and name HD2 ))
   (( segid "PX14" and resid 25   and name HA  ))
      3.700     3.700     2.300 peak   522 spectrum    2 weight  0.11000E+01 volume  0.10560E-02 ppm1      3.031 ppm2      4.350 CV     1
 ASSI {  525}
   (( segid "PX14" and resid 25   and name HD2 ))
   (( segid "PX14" and resid 25   and name HD1 ))
      1.900     1.900     4.100 peak   525 spectrum    2 weight  0.11000E+01 volume  0.89838E-02 ppm1      3.030 ppm2      3.261 CV     1
 ASSI {  527}
   (( segid "PX14" and resid 25   and name HA  ))
   (( segid "PX14" and resid 25   and name HG1 ))
      2.600     2.600     3.400 peak   527 spectrum    2 weight  0.11000E+01 volume  0.63438E-02 ppm1      4.331 ppm2      1.823 CV     1
 ASSI {  531}
   (( segid "PX14" and resid 25   and name HB2 ))
   (( segid "PX14" and resid 25   and name HD2 ))
      2.900     2.900     3.100 peak   531 spectrum    2 weight  0.11000E+01 volume  0.27177E-02 ppm1      1.773 ppm2      3.061 CV     1
 ASSI {  532}
   (( segid "PX14" and resid 25   and name HG1 ))
   (( segid "PX14" and resid 25   and name HB1 ))
      2.600     2.600     3.400 peak   532 spectrum    2 weight  0.11000E+01 volume  0.45331E-02 ppm1      1.793 ppm2      2.058 CV     1
 ASSI {  536}
   (( segid "PX14" and resid 69   and name HA  ))
   (( segid "PX14" and resid 69   and name HB1 ))
      2.500     2.500     3.500 peak   536 spectrum    2 weight  0.11000E+01 volume  0.57099E-02 ppm1      4.035 ppm2      2.074 CV     1
 ASSI {  537}
   (( segid "PX14" and resid 69   and name HA  ))
   (( segid "PX14" and resid 69   and name HB2 ))
      3.100     3.100     2.900 peak   537 spectrum    2 weight  0.11000E+01 volume  0.21719E-02 ppm1      4.031 ppm2      1.877 CV     1
 ASSI {  541}
   (( segid "PX14" and resid 49   and name HD1 ))
   (( segid "PX14" and resid 49   and name HD2 ))
      1.900     1.900     4.100 peak   541 spectrum    2 weight  0.11000E+01 volume  0.98157E-02 ppm1      3.234 ppm2      2.665 CV     1
 ASSI {  542}
   (( segid "PX14" and resid 49   and name HD1 ))
   (( segid "PX14" and resid 49   and name HB1 ))
      4.500     4.500     1.500 peak   542 spectrum    2 weight  0.11000E+01 volume  0.26555E-03 ppm1      3.193 ppm2      2.416 CV     1
 ASSI {  543}
   (( segid "PX14" and resid 49   and name HD2 ))
   (( segid "PX14" and resid 49   and name HB1 ))
      3.800     3.800     2.200 peak   543 spectrum    2 weight  0.11000E+01 volume  0.36001E-03 ppm1      2.613 ppm2      2.423 CV     1
 ASSI {  544}
   (( segid "PX14" and resid 49   and name HD1 ))
   (( segid "PX14" and resid 49   and name HB2 ))
      2.900     2.900     3.100 peak   544 spectrum    2 weight  0.11000E+01 volume  0.24655E-02 ppm1      3.214 ppm2      1.614 CV     1
 ASSI {  545}
   (( segid "PX14" and resid 49   and name HD2 ))
   (( segid "PX14" and resid 49   and name HB2 ))
      3.700     3.700     2.300 peak   545 spectrum    2 weight  0.11000E+01 volume  0.76620E-03 ppm1      2.625 ppm2      1.652 CV     1
 ASSI {  546}
   (( segid "PX14" and resid 49   and name HD1 ))
   (( segid "PX14" and resid 49   and name HG1 ))
      3.100     3.100     2.900 peak   546 spectrum    2 weight  0.11000E+01 volume  0.86818E-03 ppm1      3.234 ppm2      1.198 CV     1
 ASSI {  547}
   (( segid "PX14" and resid 49   and name HD2 ))
   (( segid "PX14" and resid 49   and name HG1 ))
      3.700     3.700     2.300 peak   547 spectrum    2 weight  0.11000E+01 volume  0.57338E-03 ppm1      2.660 ppm2      1.190 CV     1
 ASSI {  548}
   (( segid "PX14" and resid 49   and name HG1 ))
   (( segid "PX14" and resid 49   and name HG2 ))
      2.500     2.500     3.500 peak   548 spectrum    2 weight  0.11000E+01 volume  0.16424E-02 ppm1      1.686 ppm2      1.207 CV     1
 ASSI {  550}
   (( segid "PX14" and resid 49   and name HG1 ))
   (( segid "PX14" and resid 49   and name HB1 ))
      4.800     4.800     1.200 peak   550 spectrum    2 weight  0.11000E+01 volume  0.20192E-03 ppm1      1.161 ppm2      2.391 CV     1
 ASSI {  552}
   (( segid "PX14" and resid 49   and name HG1 ))
   (( segid "PX14" and resid 49   and name HA  ))
      4.100     4.100     1.900 peak   552 spectrum    2 weight  0.11000E+01 volume  0.35664E-03 ppm1      1.161 ppm2      3.964 CV     1
 ASSI {  553}
   (( segid "PX14" and resid 49   and name HD1 ))
   (( segid "PX14" and resid 49   and name HA  ))
      6.000     6.000     0.000 peak   553 spectrum    2 weight  0.11000E+01 volume  0.60820E-04 ppm1      3.197 ppm2      3.979 CV     1
 ASSI {  554}
   (( segid "PX14" and resid 49   and name HD2 ))
   (( segid "PX14" and resid 49   and name HA  ))
      6.000     6.000     0.000 peak   554 spectrum    2 weight  0.11000E+01 volume  0.40758E-05 ppm1      2.646 ppm2      3.982 CV     1
 ASSI {  555}
   (( segid "PX14" and resid 49   and name HB1 ))
   (( segid "PX14" and resid 49   and name HB2 ))
      1.900     1.900     4.100 peak   555 spectrum    2 weight  0.11000E+01 volume  0.82934E-02 ppm1      2.375 ppm2      1.673 CV     1
 ASSI {  560}
   (( segid "PX14" and resid 49   and name HB1 ))
   (( segid "PX14" and resid 49   and name HA  ))
      3.200     3.200     2.800 peak   560 spectrum    2 weight  0.11000E+01 volume  0.95098E-03 ppm1      2.389 ppm2      3.949 CV     1
 ASSI {  561}
   (( segid "PX14" and resid 49   and name HB2 ))
   (( segid "PX14" and resid 49   and name HA  ))
      3.400     3.400     2.600 peak   561 spectrum    2 weight  0.11000E+01 volume  0.10611E-02 ppm1      1.612 ppm2      3.972 CV     1
 ASSI {  571}
   (( segid "PX14" and resid 50   and name HD1 ))
   (( segid "PX14" and resid 50   and name HB1 ))
      3.000     3.000     3.000 peak   571 spectrum    2 weight  0.11000E+01 volume  0.20907E-02 ppm1      3.129 ppm2      1.879 CV     1
 ASSI {  573}
   (( segid "PX14" and resid 50   and name HG1 ))
   (( segid "PX14" and resid 50   and name HD1 ))
      3.500     3.500     2.500 peak   573 spectrum    2 weight  0.11000E+01 volume  0.53231E-03 ppm1      1.499 ppm2      3.151 CV     1
 ASSI {  574}
   (( segid "PX14" and resid 40   and name HB1 ))
   (( segid "PX14" and resid 40   and name HD2 ))
      3.000     3.000     3.000 peak   574 spectrum    2 weight  0.11000E+01 volume  0.22034E-02 ppm1      1.856 ppm2      3.135 CV     1
 ASSI {  575}
   (( segid "PX14" and resid 50   and name HB2 ))
   (( segid "PX14" and resid 50   and name HA  ))
      2.900     2.900     3.100 peak   575 spectrum    2 weight  0.11000E+01 volume  0.26718E-02 ppm1      1.691 ppm2      3.886 CV     1
 ASSI {  576}
   (( segid "PX14" and resid 50   and name HG1 ))
   (( segid "PX14" and resid 50   and name HA  ))
      3.900     3.900     2.100 peak   576 spectrum    2 weight  0.11000E+01 volume  0.38881E-03 ppm1      1.476 ppm2      3.886 CV     1
 ASSI {  578}
   (( segid "PX14" and resid 50   and name HB1 ))
   (( segid "PX14" and resid 50   and name HA  ))
      2.800     2.800     3.200 peak   578 spectrum    2 weight  0.11000E+01 volume  0.23964E-02 ppm1      1.876 ppm2      3.918 CV     1
 ASSI {  579}
   (( segid "PX14" and resid 50   and name HG1 ))
   (( segid "PX14" and resid 50   and name HB1 ))
      2.900     2.900     3.100 peak   579 spectrum    2 weight  0.11000E+01 volume  0.44520E-02 ppm1      1.485 ppm2      1.873 CV     1
 ASSI {  587}
   (  segid "PX14" and resid 53   and name HD1%)
   (( segid "PX14" and resid 53   and name HB1 ))
      2.700     2.700     3.300 peak   587 spectrum    2 weight  0.11000E+01 volume  0.35004E-02 ppm1      0.706 ppm2      2.027 CV     1
 ASSI {  589}
   (  segid "PX14" and resid 53   and name HD2%)
   (( segid "PX14" and resid 53   and name HA  ))
      3.800     3.800     2.200 peak   589 spectrum    2 weight  0.11000E+01 volume  0.36793E-03 ppm1      0.908 ppm2      3.458 CV     1
 ASSI {  590}
   (  segid "PX14" and resid 53   and name HD2%)
   (( segid "PX14" and resid 53   and name HB2 ))
      6.000     6.000     0.000 peak   590 spectrum    2 weight  0.11000E+01 volume  0.25377E-04 ppm1      0.910 ppm2      1.345 CV     1
 ASSI {  591}
   (( segid "PX14" and resid 53   and name HB1 ))
   (  segid "PX14" and resid 53   and name HD2%)
      2.800     1.000     1.000 peak   591 spectrum    2 weight  0.11000E+01 volume  0.23500E-02 ppm1      1.984 ppm2      0.943 CV     1
 ASSI {  599}
   (( segid "PX14" and resid 53   and name HA  ))
   (  segid "PX14" and resid 53   and name HD1%)
      3.100     3.100     2.900 peak   599 spectrum    2 weight  0.11000E+01 volume  0.37367E-02 ppm1      3.456 ppm2      0.733 CV     1
 ASSI {  600}
   (( segid "PX14" and resid 42   and name HG2 ))
   (( segid "PX14" and resid 42   and name HD1 ))
      3.200     3.200     2.800 peak   600 spectrum    2 weight  0.11000E+01 volume  0.99727E-03 ppm1      1.615 ppm2      3.026 CV     1
 ASSI {  601}
   (( segid "PX14" and resid 42   and name HG1 ))
   (( segid "PX14" and resid 42   and name HD1 ))
      2.600     2.600     3.400 peak   601 spectrum    2 weight  0.11000E+01 volume  0.47999E-02 ppm1      1.706 ppm2      3.035 CV     1
 ASSI {  602}
   (( segid "PX14" and resid 42   and name HG2 ))
   (( segid "PX14" and resid 42   and name HA  ))
      3.300     3.300     2.700 peak   602 spectrum    2 weight  0.11000E+01 volume  0.14259E-02 ppm1      1.603 ppm2      3.828 CV     1
 ASSI {  603}
   (( segid "PX14" and resid 42   and name HG1 ))
   (( segid "PX14" and resid 42   and name HA  ))
      3.300     3.300     2.700 peak   603 spectrum    2 weight  0.11000E+01 volume  0.87637E-03 ppm1      1.703 ppm2      3.829 CV     1
 ASSI {  604}
   (( segid "PX14" and resid 42   and name HB1 ))
   (( segid "PX14" and resid 42   and name HA  ))
      3.600     3.600     2.400 peak   604 spectrum    2 weight  0.11000E+01 volume  0.95453E-03 ppm1      1.864 ppm2      3.826 CV     1
 ASSI {  605}
   (( segid "PX14" and resid 42   and name HB2 ))
   (( segid "PX14" and resid 42   and name HA  ))
      3.200     3.200     2.800 peak   605 spectrum    2 weight  0.11000E+01 volume  0.99586E-03 ppm1      1.742 ppm2      3.832 CV     1
 ASSI {  607}
   (( segid "PX14" and resid 42   and name HD1 ))
   (( segid "PX14" and resid 42   and name HB1 ))
      2.800     2.800     3.200 peak   607 spectrum    2 weight  0.11000E+01 volume  0.23146E-02 ppm1      2.999 ppm2      1.895 CV     1
 ASSI {  610}
   (( segid "PX14" and resid 42   and name HD1 ))
   (( segid "PX14" and resid 42   and name HA  ))
      3.300     3.300     2.700 peak   610 spectrum    2 weight  0.11000E+01 volume  0.36066E-02 ppm1      2.999 ppm2      3.811 CV     1
 ASSI {  611}
   (( segid "PX14" and resid 42   and name HG2 ))
   (( segid "PX14" and resid 42   and name HB1 ))
      2.200     2.200     3.800 peak   611 spectrum    2 weight  0.11000E+01 volume  0.84356E-02 ppm1      1.558 ppm2      1.867 CV     1
 ASSI {  616}
   (( segid "PX14" and resid 55   and name HB1 ))
   (( segid "PX14" and resid 55   and name HG1 ))
      3.300     3.300     2.700 peak   616 spectrum    2 weight  0.11000E+01 volume  0.14067E-02 ppm1      1.673 ppm2      1.158 CV     1
 ASSI {  617}
   (( segid "PX14" and resid 55   and name HB1 ))
   (( segid "PX14" and resid 55   and name HA  ))
      2.200     2.200     3.800 peak   617 spectrum    2 weight  0.11000E+01 volume  0.13158E-01 ppm1      1.686 ppm2      3.873 CV     1
 ASSI {  619}
   (( segid "PX14" and resid 55   and name HG1 ))
   (( segid "PX14" and resid 55   and name HE1 ))
      4.100     4.100     1.900 peak   619 spectrum    2 weight  0.11000E+01 volume  0.29874E-03 ppm1      1.125 ppm2      2.789 CV     1
 ASSI {  620}
   (( segid "PX14" and resid 55   and name HG1 ))
   (( segid "PX14" and resid 55   and name HA  ))
      2.400     2.400     3.600 peak   620 spectrum    2 weight  0.11000E+01 volume  0.78955E-02 ppm1      1.139 ppm2      3.883 CV     1
 ASSI {  621}
   (( segid "PX14" and resid 55   and name HB1 ))
   (( segid "PX14" and resid 55   and name HD1 ))
      2.500     2.500     3.500 peak   621 spectrum    2 weight  0.11000E+01 volume  0.52946E-02 ppm1      1.704 ppm2      1.379 CV     1
 ASSI {  622}
   (( segid "PX14" and resid 55   and name HG1 ))
   (( segid "PX14" and resid 55   and name HD1 ))
      3.100     3.100     2.900 peak   622 spectrum    2 weight  0.11000E+01 volume  0.29047E-02 ppm1      1.145 ppm2      1.358 CV     1
 ASSI {  624}
   (( segid "PX14" and resid 55   and name HE1 ))
   (( segid "PX14" and resid 55   and name HA  ))
      4.400     4.400     1.600 peak   624 spectrum    2 weight  0.11000E+01 volume  0.95118E-04 ppm1      2.755 ppm2      3.943 CV     1
 ASSI {  626}
   (( segid "PX14" and resid 55   and name HA  ))
   (( segid "PX14" and resid 55   and name HD1 ))
      3.300     3.300     2.700 peak   626 spectrum    2 weight  0.11000E+01 volume  0.19326E-02 ppm1      3.861 ppm2      1.349 CV     1
 ASSI {  629}
   (( segid "PX14" and resid 24   and name HD2 ))
   (( segid "PX14" and resid 24   and name HG2 ))
      2.300     2.300     3.700 peak   629 spectrum    2 weight  0.11000E+01 volume  0.57767E-02 ppm1      3.549 ppm2      1.918 CV     1
 ASSI {  630}
   (( segid "PX14" and resid 24   and name HD1 ))
   (( segid "PX14" and resid 24   and name HG2 ))
      3.900     3.900     2.100 peak   630 spectrum    2 weight  0.11000E+01 volume  0.67650E-03 ppm1      3.874 ppm2      1.911 CV     1
 ASSI {  631}
   (( segid "PX14" and resid 24   and name HD1 ))
   (( segid "PX14" and resid 24   and name HB1 ))
      4.300     4.300     1.700 peak   631 spectrum    2 weight  0.11000E+01 volume  0.37554E-03 ppm1      3.891 ppm2      2.157 CV     1
 ASSI {  634}
   (( segid "PX14" and resid 26   and name HG1 ))
   (( segid "PX14" and resid 26   and name HA  ))
      3.500     3.500     2.500 peak   634 spectrum    2 weight  0.11000E+01 volume  0.11219E-02 ppm1      2.330 ppm2      4.042 CV     1
 ASSI {  643}
   (  segid "PX14" and resid 72   and name HG2%)
   (  segid "PX14" and resid 67   and name HE% )
      5.400     5.400     0.600 peak   643 spectrum    2 weight  0.11000E+01 volume  0.26853E-04 ppm1      0.904 ppm2      7.044 CV     1
 ASSI {  644}
   (  segid "PX14" and resid 72   and name HG2%)
   (  segid "PX14" and resid 67   and name HD% )
      4.400     4.400     1.600 peak   644 spectrum    2 weight  0.11000E+01 volume  0.29440E-03 ppm1      0.895 ppm2      7.262 CV     1
 ASSI {  646}
   (( segid "PX14" and resid 52   and name HA  ))
   (  segid "PX05" and resid 107  and name HD% )
      4.400     4.400     1.600 peak   646 spectrum    2 weight  0.11000E+01 volume  0.45987E-03 ppm1      4.059 ppm2      6.766 CV     1
 ASSI {  647}
   (( segid "PX14" and resid 52   and name HA  ))
   (  segid "PX14" and resid 51   and name HB% )
      4.300     4.300     1.700 peak   647 spectrum    2 weight  0.11000E+01 volume  0.31975E-03 ppm1      4.052 ppm2      1.533 CV     1
 ASSI {  648}
   (( segid "PX14" and resid 24   and name HA  ))
   (  segid "PX14" and resid 29   and name HD1%)
      3.700     3.700     2.300 peak   648 spectrum    2 weight  0.11000E+01 volume  0.80223E-03 ppm1      4.427 ppm2      0.888 CV     1
 ASSI {  649}
   (( segid "PX14" and resid 24   and name HA  ))
   (( segid "PX14" and resid 62   and name HG1 ))
      3.600     3.600     2.400 peak   649 spectrum    2 weight  0.11000E+01 volume  0.87630E-03 ppm1      4.408 ppm2      2.421 CV     1
 ASSI {  650}
   (( segid "PX14" and resid 24   and name HB1 ))
   (( segid "PX14" and resid 62   and name HA  ))
      3.300     3.300     2.700 peak   650 spectrum    2 weight  0.11000E+01 volume  0.13323E-02 ppm1      2.112 ppm2      3.844 CV     1
 ASSI {  652}
   (( segid "PX14" and resid 48   and name HA  ))
   (  segid "PX05" and resid 107  and name HE% )
      3.700     3.700     2.300 peak   652 spectrum    2 weight  0.11000E+01 volume  0.92857E-03 ppm1      4.428 ppm2      7.247 CV     1
 ASSI {  654}
   (( segid "PX14" and resid 48   and name HB  ))
   (  segid "PX14" and resid 48   and name HG2%)
      2.300     2.300     3.700 peak   654 spectrum    2 weight  0.11000E+01 volume  0.92031E-02 ppm1      4.470 ppm2      1.399 CV     1
 ASSI {  655}
   (( segid "PX14" and resid 31   and name HB  ))
   (( segid "PX14" and resid 28   and name HA  ))
      3.600     3.600     2.400 peak   655 spectrum    2 weight  0.11000E+01 volume  0.63982E-03 ppm1      3.835 ppm2      4.123 CV     1
 ASSI {  656}
   (( segid "PX14" and resid 33   and name HA  ))
   (  segid "PX14" and resid 36   and name HD2%)
      3.700     3.700     2.300 peak   656 spectrum    2 weight  0.11000E+01 volume  0.11054E-02 ppm1      3.288 ppm2      0.177 CV     1
 ASSI {  658}
   (( segid "PX14" and resid 63   and name HA  ))
   (  segid "PX14" and resid 66   and name HB% )
      2.800     2.800     3.200 peak   658 spectrum    2 weight  0.11000E+01 volume  0.25932E-02 ppm1      3.243 ppm2      1.307 CV     1
 ASSI {  659}
   (( segid "PX14" and resid 48   and name HA  ))
   (  segid "PX14" and resid 51   and name HB% )
      2.700     2.700     3.300 peak   659 spectrum    2 weight  0.11000E+01 volume  0.33676E-02 ppm1      4.228 ppm2      1.544 CV     1
 ASSI {  660}
   (( segid "PX14" and resid 29   and name HA  ))
   (  segid "PX14" and resid 66   and name HB% )
      3.200     3.200     2.800 peak   660 spectrum    2 weight  0.11000E+01 volume  0.17973E-02 ppm1      3.373 ppm2      1.311 CV     1
 ASSI {  662}
   (( segid "PX14" and resid 70   and name HB1 ))
   (( segid "PX14" and resid 33   and name HA  ))
      3.300     3.300     2.700 peak   662 spectrum    2 weight  0.11000E+01 volume  0.10199E-02 ppm1      4.051 ppm2      3.285 CV     1
 ASSI {  663}
   (( segid "PX14" and resid 70   and name HB1 ))
   (  segid "PX14" and resid 33   and name HG1%)
      3.700     3.700     2.300 peak   663 spectrum    2 weight  0.11000E+01 volume  0.25178E-03 ppm1      4.051 ppm2      1.127 CV     1
 ASSI {  664}
   (( segid "PX14" and resid 70   and name HB1 ))
   (  segid "PX14" and resid 33   and name HG2%)
      2.400     2.400     3.600 peak   664 spectrum    2 weight  0.11000E+01 volume  0.33453E-02 ppm1      4.051 ppm2      0.640 CV     1
 ASSI {  665}
   (( segid "PX14" and resid 70   and name HB2 ))
   (  segid "PX14" and resid 33   and name HG2%)
      3.000     3.000     3.000 peak   665 spectrum    2 weight  0.11000E+01 volume  0.92541E-03 ppm1      3.821 ppm2      0.640 CV     1
 ASSI {  667}
   (( segid "PX14" and resid 78   and name HB2 ))
   (( segid "PX14" and resid 78   and name HA  ))
      4.400     4.400     1.600 peak   667 spectrum    2 weight  0.11000E+01 volume  0.22219E-03 ppm1      3.626 ppm2      4.180 CV     1
 ASSI {  670}
   (( segid "PX14" and resid 44   and name HB1 ))
   (  segid "PX05" and resid 107  and name HE% )
      2.800     2.800     3.200 peak   670 spectrum    2 weight  0.11000E+01 volume  0.42994E-02 ppm1      4.124 ppm2      7.278 CV     1
 ASSI {  671}
   (( segid "PX14" and resid 44   and name HB1 ))
   (( segid "PX14" and resid 44   and name HA  ))
      2.200     2.200     3.800 peak   671 spectrum    2 weight  0.11000E+01 volume  0.99056E-02 ppm1      4.100 ppm2      4.807 CV     1
 ASSI {  677}
   (( segid "PX14" and resid 67   and name HA  ))
   (  segid "PX14" and resid 36   and name HD2%)
      3.100     3.100     2.900 peak   677 spectrum    2 weight  0.11000E+01 volume  0.20129E-02 ppm1      3.927 ppm2      0.167 CV     1
 ASSI {  680}
   (( segid "PX14" and resid 26   and name HA  ))
   (( segid "PX14" and resid 26   and name HB1 ))
      2.600     2.600     3.400 peak   680 spectrum    2 weight  0.11000E+01 volume  0.34676E-02 ppm1      4.007 ppm2      2.086 CV     1
 ASSI {  682}
   (( segid "PX14" and resid 35   and name HA  ))
   (  segid "PX14" and resid 35   and name HD% )
      2.900     2.900     3.100 peak   682 spectrum    2 weight  0.11000E+01 volume  0.21995E-02 ppm1      4.226 ppm2      7.204 CV     1
 ASSI {  683}
   (( segid "PX14" and resid 61   and name HA  ))
   (( segid "PX14" and resid 64   and name HB2 ))
      3.500     3.500     2.500 peak   683 spectrum    2 weight  0.11000E+01 volume  0.11296E-02 ppm1      4.029 ppm2      2.631 CV     1
 ASSI {  684}
   (( segid "PX14" and resid 70   and name HA  ))
   (  segid "PX14" and resid 33   and name HG2%)
      2.400     2.400     3.600 peak   684 spectrum    2 weight  0.11000E+01 volume  0.33548E-02 ppm1      4.242 ppm2      0.644 CV     1
 ASSI {  685}
   (( segid "PX14" and resid 68   and name HA  ))
   (( segid "PX14" and resid 68   and name HG1 ))
      2.900     2.900     3.100 peak   685 spectrum    2 weight  0.11000E+01 volume  0.34792E-02 ppm1      4.056 ppm2      2.519 CV     1
 ASSI {  686}
   (( segid "PX14" and resid 68   and name HA  ))
   (( segid "PX14" and resid 68   and name HB1 ))
      2.100     2.100     3.900 peak   686 spectrum    2 weight  0.11000E+01 volume  0.17939E-01 ppm1      4.041 ppm2      2.250 CV     1
 ASSI {  687}
   (( segid "PX14" and resid 68   and name HA  ))
   (  segid "PX14" and resid 73   and name HB% )
      3.500     3.500     2.500 peak   687 spectrum    2 weight  0.11000E+01 volume  0.90723E-03 ppm1      4.041 ppm2      1.307 CV     1
 ASSI {  689}
   (( segid "PX14" and resid 62   and name HA  ))
   (  segid "PX14" and resid 29   and name HD1%)
      3.600     3.600     2.400 peak   689 spectrum    2 weight  0.11000E+01 volume  0.67153E-03 ppm1      3.810 ppm2      0.893 CV     1
 ASSI {  693}
   (( segid "PX14" and resid 42   and name HA  ))
   (( segid "PX14" and resid 49   and name HD1 ))
      3.600     3.600     2.400 peak   693 spectrum    2 weight  0.11000E+01 volume  0.86973E-03 ppm1      3.799 ppm2      3.242 CV     1
 ASSI {  697}
   (( segid "PX14" and resid 40   and name HA  ))
   (( segid "PX14" and resid 40   and name HB1 ))
      2.100     2.100     3.900 peak   697 spectrum    2 weight  0.11000E+01 volume  0.11768E-01 ppm1      4.173 ppm2      1.876 CV     1
 ASSI {  700}
   (( segid "PX14" and resid 37   and name HA  ))
   (  segid "PX14" and resid 72   and name HG2%)
      5.700     5.700     0.300 peak   700 spectrum    2 weight  0.11000E+01 volume  0.50062E-04 ppm1      3.986 ppm2      0.904 CV     1
 ASSI {  701}
   (( segid "PX14" and resid 30   and name HA  ))
   (( segid "PX14" and resid 33   and name HB  ))
      3.100     3.100     2.900 peak   701 spectrum    2 weight  0.11000E+01 volume  0.37227E-02 ppm1      3.947 ppm2      2.129 CV     1
 ASSI {  709}
   (( segid "PX14" and resid 51   and name HA  ))
   (( segid "PX14" and resid 50   and name HB1 ))
      3.600     3.600     2.400 peak   709 spectrum    2 weight  0.11000E+01 volume  0.69307E-03 ppm1      4.047 ppm2      1.890 CV     1
 ASSI {  710}
   (( segid "PX14" and resid 51   and name HA  ))
   (( segid "PX14" and resid 54   and name HB1 ))
      2.700     2.700     3.300 peak   710 spectrum    2 weight  0.11000E+01 volume  0.44564E-02 ppm1      4.027 ppm2      1.781 CV     1
 ASSI {  713}
   (( segid "PX14" and resid 66   and name HA  ))
   (( segid "PX14" and resid 69   and name HB2 ))
      3.200     3.200     2.800 peak   713 spectrum    2 weight  0.11000E+01 volume  0.99814E-03 ppm1      3.855 ppm2      1.895 CV     1
 ASSI {  714}
   (( segid "PX14" and resid 66   and name HA  ))
   (  segid "PX14" and resid 33   and name HG1%)
      2.600     2.600     3.400 peak   714 spectrum    2 weight  0.11000E+01 volume  0.40445E-02 ppm1      3.834 ppm2      1.129 CV     1
 ASSI {  715}
   (( segid "PX14" and resid 66   and name HA  ))
   (  segid "PX14" and resid 29   and name HG2%)
      2.500     2.500     3.500 peak   715 spectrum    2 weight  0.11000E+01 volume  0.55429E-02 ppm1      3.848 ppm2      0.732 CV     1
 ASSI {  721}
   (( segid "PX14" and resid 23   and name HA  ))
   (( segid "PX14" and resid 24   and name HD1 ))
      2.700     0.900     0.900 peak   721 spectrum    2 weight  0.11000E+01 volume  0.21733E-02 ppm1      4.566 ppm2      3.923 CV     1
 ASSI {  722}
   (( segid "PX14" and resid 23   and name HA  ))
   (( segid "PX14" and resid 24   and name HD2 ))
      3.500     1.600     1.600 peak   722 spectrum    2 weight  0.11000E+01 volume  0.78204E-03 ppm1      4.567 ppm2      3.602 CV     1
 ASSI {  726}
   (( segid "PX14" and resid 45   and name HD1 ))
   (( segid "PX14" and resid 44   and name HA  ))
      3.000     3.000     3.000 peak   726 spectrum    2 weight  0.11000E+01 volume  0.13121E-02 ppm1      4.034 ppm2      4.828 CV     1
 ASSI {  729}
   (( segid "PX14" and resid 24   and name HD1 ))
   (  segid "PX14" and resid 23   and name HD1%)
      6.000     6.000     0.000 peak   729 spectrum    2 weight  0.11000E+01 volume  0.20883E-05 ppm1      3.877 ppm2      0.896 CV     1
 ASSI {  734}
   (( segid "PX14" and resid 45   and name HD2 ))
   (( segid "PX14" and resid 44   and name HA  ))
      3.000     3.000     3.000 peak   734 spectrum    2 weight  0.11000E+01 volume  0.21695E-02 ppm1      3.614 ppm2      4.823 CV     1
 ASSI {  736}
   (( segid "PX14" and resid 24   and name HD2 ))
   (( segid "PX14" and resid 23   and name HB1 ))
      4.500     4.500     1.500 peak   736 spectrum    2 weight  0.11000E+01 volume  0.21001E-03 ppm1      3.558 ppm2      1.509 CV     1
 ASSI {  737}
   (( segid "PX14" and resid 24   and name HD2 ))
   (  segid "PX14" and resid 23   and name HD1%)
      4.600     4.600     1.400 peak   737 spectrum    2 weight  0.11000E+01 volume  0.16251E-03 ppm1      3.553 ppm2      0.897 CV     1
 ASSI {  740}
   (( segid "PX14" and resid 49   and name HD1 ))
   (  segid "PX14" and resid 41   and name HG2%)
      3.000     3.000     3.000 peak   740 spectrum    2 weight  0.11000E+01 volume  0.10042E-02 ppm1      3.207 ppm2     -0.398 CV     1
 ASSI {  741}
   (( segid "PX14" and resid 42   and name HD1 ))
   (( segid "PX14" and resid 37   and name HA  ))
      5.800     5.800     0.200 peak   741 spectrum    2 weight  0.11000E+01 volume  0.35804E-04 ppm1      3.009 ppm2      4.011 CV     1
 ASSI {  742}
   (( segid "PX14" and resid 42   and name HD1 ))
   (  segid "PX14" and resid 72   and name HG2%)
      4.800     4.800     1.200 peak   742 spectrum    2 weight  0.11000E+01 volume  0.14875E-03 ppm1      3.012 ppm2      0.910 CV     1
 ASSI {  744}
   (( segid "PX14" and resid 40   and name HD2 ))
   (  segid "PX05" and resid 108  and name HD1%)
      3.400     3.400     2.600 peak   744 spectrum    2 weight  0.11000E+01 volume  0.40774E-03 ppm1      3.113 ppm2      0.798 CV     1
 ASSI {  745}
   (( segid "PX14" and resid 25   and name HD1 ))
   (( segid "PX14" and resid 25   and name HG1 ))
      2.400     2.400     3.600 peak   745 spectrum    2 weight  0.11000E+01 volume  0.71904E-02 ppm1      3.247 ppm2      1.843 CV     1
 ASSI {  746}
   (( segid "PX14" and resid 50   and name HD1 ))
   (( segid "PX14" and resid 47   and name HA  ))
      6.000     6.000     0.000 peak   746 spectrum    2 weight  0.11000E+01 volume  0.48391E-05 ppm1      3.106 ppm2      4.096 CV     1
 ASSI {  748}
   (( segid "PX14" and resid 50   and name HD1 ))
   (  segid "PX14" and resid 63   and name HD1%)
      6.000     6.000     0.000 peak   748 spectrum    2 weight  0.11000E+01 volume  0.77412E-05 ppm1      3.101 ppm2      0.825 CV     1
 ASSI {  749}
   (( segid "PX14" and resid 50   and name HD1 ))
   (  segid "PX14" and resid 46   and name HD2%)
      6.000     6.000     0.000 peak   749 spectrum    2 weight  0.11000E+01 volume  0.13077E-04 ppm1      3.104 ppm2      0.679 CV     1
 ASSI {  750}
   (( segid "PX14" and resid 58   and name HB1 ))
   (  segid "PX14" and resid 63   and name HG2%)
      4.100     4.100     1.900 peak   750 spectrum    2 weight  0.11000E+01 volume  0.31969E-03 ppm1      1.867 ppm2      0.641 CV     1
 ASSI {  752}
   (( segid "PX14" and resid 58   and name HB2 ))
   (  segid "PX14" and resid 63   and name HG2%)
      4.100     4.100     1.900 peak   752 spectrum    2 weight  0.11000E+01 volume  0.32476E-03 ppm1      1.103 ppm2      0.635 CV     1
 ASSI {  755}
   (( segid "PX14" and resid 53   and name HB1 ))
   (  segid "PX14" and resid 63   and name HG2%)
      2.700     2.700     3.300 peak   755 spectrum    2 weight  0.11000E+01 volume  0.26574E-02 ppm1      1.999 ppm2      0.641 CV     1
 ASSI {  756}
   (( segid "PX14" and resid 36   and name HB1 ))
   (( segid "PX14" and resid 33   and name HA  ))
      4.500     4.500     1.500 peak   756 spectrum    2 weight  0.11000E+01 volume  0.68737E-03 ppm1      1.784 ppm2      3.296 CV     1
 ASSI {  758}
   (( segid "PX14" and resid 23   and name HB1 ))
   (( segid "PX14" and resid 23   and name HA  ))
      3.000     3.000     3.000 peak   758 spectrum    2 weight  0.11000E+01 volume  0.16639E-02 ppm1      1.523 ppm2      4.584 CV     1
 ASSI {  760}
   (( segid "PX14" and resid 56   and name HE1 ))
   (( segid "PX14" and resid 56   and name HB1 ))
      3.300     3.300     2.700 peak   760 spectrum    2 weight  0.11000E+01 volume  0.36729E-02 ppm1      1.398 ppm2      1.148 CV     1
 ASSI {  761}
   (( segid "PX14" and resid 53   and name HB2 ))
   (  segid "PX14" and resid 58   and name HD1%)
      4.600     4.600     1.400 peak   761 spectrum    2 weight  0.11000E+01 volume  0.70991E-03 ppm1      1.205 ppm2      0.726 CV     1
 ASSI {  762}
   (( segid "PX14" and resid 53   and name HB2 ))
   (  segid "PX14" and resid 63   and name HG2%)
      3.400     3.400     2.600 peak   762 spectrum    2 weight  0.11000E+01 volume  0.72528E-03 ppm1      1.197 ppm2      0.645 CV     1
 ASSI {  764}
   (( segid "PX14" and resid 56   and name HE1 ))
   (( segid "PX14" and resid 56   and name HE2 ))
      2.500     2.500     3.500 peak   764 spectrum    2 weight  0.11000E+01 volume  0.14877E-02 ppm1      1.423 ppm2      1.299 CV     1
 ASSI {  765}
   (( segid "PX14" and resid 36   and name HB2 ))
   (( segid "PX14" and resid 33   and name HA  ))
      3.700     3.700     2.300 peak   765 spectrum    2 weight  0.11000E+01 volume  0.39975E-03 ppm1      1.228 ppm2      3.296 CV     1
 ASSI {  767}
   (( segid "PX14" and resid 52   and name HB1 ))
   (  segid "PX05" and resid 107  and name HE% )
      3.500     3.500     2.500 peak   767 spectrum    2 weight  0.11000E+01 volume  0.11143E-02 ppm1      3.456 ppm2      7.266 CV     1
 ASSI {  768}
   (( segid "PX14" and resid 52   and name HB1 ))
   (  segid "PX05" and resid 107  and name HD% )
      3.500     3.500     2.500 peak   768 spectrum    2 weight  0.11000E+01 volume  0.11615E-02 ppm1      3.472 ppm2      6.771 CV     1
 ASSI {  769}
   (( segid "PX14" and resid 52   and name HB2 ))
   (  segid "PX05" and resid 107  and name HD% )
      3.400     3.400     2.600 peak   769 spectrum    2 weight  0.11000E+01 volume  0.51704E-03 ppm1      3.000 ppm2      6.766 CV     1
 ASSI {  770}
   (( segid "PX14" and resid 35   and name HB1 ))
   (( segid "PX14" and resid 32   and name HA  ))
      2.800     2.800     3.200 peak   770 spectrum    2 weight  0.11000E+01 volume  0.13623E-02 ppm1      3.547 ppm2      4.212 CV     1
 ASSI {  771}
   (( segid "PX14" and resid 35   and name HB1 ))
   (  segid "PX14" and resid 35   and name HD% )
      2.200     2.200     3.800 peak   771 spectrum    2 weight  0.11000E+01 volume  0.61537E-02 ppm1      3.541 ppm2      7.211 CV     1
 ASSI {  778}
   (( segid "PX14" and resid 67   and name HB1 ))
   (  segid "PX14" and resid 67   and name HD% )
      5.000     5.000     1.000 peak   778 spectrum    2 weight  0.11000E+01 volume  0.10627E-03 ppm1      3.286 ppm2      7.292 CV     1
 ASSI {  780}
   (( segid "PX14" and resid 63   and name HB  ))
   (( segid "PX14" and resid 60   and name HA  ))
      2.800     2.800     3.200 peak   780 spectrum    2 weight  0.11000E+01 volume  0.37729E-02 ppm1      1.869 ppm2      4.183 CV     1
 ASSI {  781}
   (( segid "PX14" and resid 63   and name HB  ))
   (  segid "PX14" and resid 63   and name HD1%)
      2.600     2.600     3.400 peak   781 spectrum    2 weight  0.11000E+01 volume  0.43704E-02 ppm1      1.858 ppm2      0.772 CV     1
 ASSI {  782}
   (( segid "PX14" and resid 63   and name HB  ))
   (  segid "PX14" and resid 63   and name HG2%)
      2.800     2.800     3.200 peak   782 spectrum    2 weight  0.11000E+01 volume  0.24586E-02 ppm1      1.869 ppm2      0.627 CV     1
 ASSI {  786}
   (( segid "PX14" and resid 62   and name HG2 ))
   (  segid "PX14" and resid 29   and name HD1%)
      6.000     6.000     0.000 peak   786 spectrum    2 weight  0.11000E+01 volume  0.97788E-05 ppm1      2.110 ppm2      0.893 CV     1
 ASSI {  787}
   (( segid "PX14" and resid 26   and name HG1 ))
   (( segid "PX14" and resid 26   and name HB1 ))
      2.300     2.300     3.700 peak   787 spectrum    2 weight  0.11000E+01 volume  0.11328E-01 ppm1      2.318 ppm2      2.097 CV     1
 ASSI {  790}
   (( segid "PX14" and resid 61   and name HG1 ))
   (( segid "PX14" and resid 61   and name HA  ))
      2.500     2.500     3.500 peak   790 spectrum    2 weight  0.11000E+01 volume  0.55762E-02 ppm1      2.215 ppm2      4.072 CV     1
 ASSI {  803}
   (( segid "PX14" and resid 43   and name HG1 ))
   (( segid "PX14" and resid 40   and name HA  ))
      4.100     4.100     1.900 peak   803 spectrum    2 weight  0.11000E+01 volume  0.38402E-03 ppm1      2.523 ppm2      4.194 CV     1
 ASSI {  804}
   (( segid "PX14" and resid 43   and name HG2 ))
   (( segid "PX14" and resid 40   and name HA  ))
      6.000     6.000     0.000 peak   804 spectrum    2 weight  0.11000E+01 volume  0.00000E+00 ppm1      2.329 ppm2      4.190 CV     1
 ASSI {  806}
   (( segid "PX14" and resid 68   and name HG1 ))
   (( segid "PX14" and resid 68   and name HB1 ))
      2.300     0.600     0.600 peak   806 spectrum    2 weight  0.11000E+01 volume  0.14149E-01 ppm1      2.488 ppm2      2.269 CV     1
 ASSI {  807}
   (( segid "PX14" and resid 65   and name HB1 ))
   (  segid "PX14" and resid 29   and name HG2%)
      3.600     3.600     2.400 peak   807 spectrum    2 weight  0.11000E+01 volume  0.50065E-03 ppm1      2.097 ppm2      0.764 CV     1
 ASSI {  813}
   (( segid "PX14" and resid 65   and name HB2 ))
   (( segid "PX14" and resid 65   and name HB1 ))
      2.000     2.000     4.000 peak   813 spectrum    2 weight  0.11000E+01 volume  0.73903E-02 ppm1      2.096 ppm2      2.520 CV     1
 ASSI {  815}
   (( segid "PX14" and resid 24   and name HB2 ))
   (( segid "PX14" and resid 24   and name HD2 ))
      6.000     6.000     0.000 peak   815 spectrum    2 weight  0.11000E+01 volume  0.42767E-04 ppm1      1.777 ppm2      3.598 CV     1
 ASSI {  827}
   (( segid "PX14" and resid 41   and name HB  ))
   (( segid "PX14" and resid 38   and name HB1 ))
      2.200     2.200     3.800 peak   827 spectrum    2 weight  0.11000E+01 volume  0.72870E-02 ppm1      1.941 ppm2      2.721 CV     1
 ASSI {  836}
   (( segid "PX14" and resid 40   and name HB1 ))
   (( segid "PX14" and resid 40   and name HG2 ))
      2.100     2.100     3.900 peak   836 spectrum    2 weight  0.11000E+01 volume  0.10663E-01 ppm1      1.833 ppm2      1.608 CV     1
 ASSI {  837}
   (( segid "PX14" and resid 40   and name HB1 ))
   (  segid "PX05" and resid 108  and name HD1%)
      3.200     3.200     2.800 peak   837 spectrum    2 weight  0.11000E+01 volume  0.22359E-02 ppm1      1.860 ppm2      0.819 CV     1
 ASSI {  842}
   (( segid "PX14" and resid 61   and name HB1 ))
   (( segid "PX14" and resid 61   and name HA  ))
      2.200     2.200     3.800 peak   842 spectrum    2 weight  0.11000E+01 volume  0.13005E-01 ppm1      2.000 ppm2      4.077 CV     1
 ASSI {  843}
   (( segid "PX14" and resid 61   and name HB1 ))
   (( segid "PX14" and resid 61   and name HG1 ))
      2.500     2.500     3.500 peak   843 spectrum    2 weight  0.11000E+01 volume  0.94427E-02 ppm1      1.979 ppm2      2.244 CV     1
 ASSI {  844}
   (( segid "PX14" and resid 61   and name HB2 ))
   (( segid "PX14" and resid 61   and name HA  ))
      2.500     2.500     3.500 peak   844 spectrum    2 weight  0.11000E+01 volume  0.62146E-02 ppm1      1.824 ppm2      4.078 CV     1
 ASSI {  845}
   (( segid "PX14" and resid 69   and name HB1 ))
   (  segid "PX14" and resid 33   and name HG1%)
      3.000     3.000     3.000 peak   845 spectrum    2 weight  0.11000E+01 volume  0.18889E-02 ppm1      2.056 ppm2      1.128 CV     1
 ASSI {  847}
   (( segid "PX14" and resid 69   and name HB2 ))
   (  segid "PX14" and resid 33   and name HG1%)
      3.000     3.000     3.000 peak   847 spectrum    2 weight  0.11000E+01 volume  0.15582E-02 ppm1      1.852 ppm2      1.128 CV     1
 ASSI {  849}
   (( segid "PX14" and resid 49   and name HG1 ))
   (  segid "PX05" and resid 107  and name HE% )
      4.100     4.100     1.900 peak   849 spectrum    2 weight  0.11000E+01 volume  0.36846E-03 ppm1      1.665 ppm2      7.267 CV     1
 ASSI {  852}
   (( segid "PX14" and resid 34   and name HD1 ))
   (  segid "PX14" and resid 30   and name HB% )
      2.300     2.300     3.700 peak   852 spectrum    2 weight  0.11000E+01 volume  0.46512E-02 ppm1      1.587 ppm2      1.338 CV     1
 ASSI {  857}
   (( segid "PX14" and resid 68   and name HB1 ))
   (( segid "PX14" and resid 69   and name HG2 ))
      2.300     2.300     3.700 peak   857 spectrum    2 weight  0.11000E+01 volume  0.10318E-01 ppm1      2.223 ppm2      2.407 CV     1
 ASSI {  869}
   (  segid "PX14" and resid 53   and name HD2%)
   (  segid "PX14" and resid 35   and name HD% )
      3.200     3.200     2.800 peak   869 spectrum    2 weight  0.11000E+01 volume  0.94916E-03 ppm1      0.931 ppm2      7.049 CV     1
 ASSI {  871}
   (  segid "PX14" and resid 58   and name HD1%)
   (( segid "PX14" and resid 62   and name HB2 ))
      2.500     2.500     3.500 peak   871 spectrum    2 weight  0.11000E+01 volume  0.14726E-01 ppm1      0.689 ppm2      1.629 CV     1
 ASSI {  872}
   (  segid "PX14" and resid 53   and name HD2%)
   (  segid "PX14" and resid 32   and name HB% )
      2.500     2.500     3.500 peak   872 spectrum    2 weight  0.11000E+01 volume  0.44259E-02 ppm1      0.913 ppm2      1.623 CV     1
 ASSI {  873}
   (  segid "PX14" and resid 53   and name HD2%)
   (  segid "PX14" and resid 63   and name HD1%)
      3.600     3.600     2.400 peak   873 spectrum    2 weight  0.11000E+01 volume  0.20626E-02 ppm1      0.919 ppm2      0.788 CV     1
 ASSI {  874}
   (  segid "PX14" and resid 53   and name HD2%)
   (  segid "PX14" and resid 63   and name HG2%)
      3.200     3.200     2.800 peak   874 spectrum    2 weight  0.11000E+01 volume  0.28688E-02 ppm1      0.912 ppm2      0.656 CV     1
 ASSI {  875}
   (  segid "PX14" and resid 53   and name HD2%)
   (  segid "PX14" and resid 36   and name HD1%)
      2.400     2.400     3.600 peak   875 spectrum    2 weight  0.11000E+01 volume  0.36325E-02 ppm1      0.916 ppm2      0.554 CV     1
 ASSI {  876}
   (  segid "PX14" and resid 53   and name HD2%)
   (  segid "PX14" and resid 36   and name HD2%)
      3.000     3.000     3.000 peak   876 spectrum    2 weight  0.11000E+01 volume  0.88046E-03 ppm1      0.919 ppm2      0.176 CV     1
 ASSI {  878}
   (  segid "PX14" and resid 58   and name HD1%)
   (( segid "PX14" and resid 63   and name HA  ))
      2.900     2.900     3.100 peak   878 spectrum    2 weight  0.11000E+01 volume  0.29394E-02 ppm1      0.680 ppm2      3.290 CV     1
 ASSI {  879}
   (  segid "PX14" and resid 58   and name HD1%)
   (( segid "PX14" and resid 62   and name HB1 ))
      3.500     3.500     2.500 peak   879 spectrum    2 weight  0.11000E+01 volume  0.12531E-02 ppm1      0.689 ppm2      2.483 CV     1
 ASSI {  881}
   (( segid "PX14" and resid 56   and name HD2 ))
   (( segid "PX14" and resid 56   and name HD1 ))
      2.300     2.300     3.700 peak   881 spectrum    2 weight  0.11000E+01 volume  0.28245E-02 ppm1      0.539 ppm2      0.824 CV     1
 ASSI {  882}
   (  segid "PX14" and resid 58   and name HD2%)
   (( segid "PX05" and resid 103  and name HH2 ))
      2.200     2.200     3.800 peak   882 spectrum    2 weight  0.11000E+01 volume  0.13064E-01 ppm1      0.885 ppm2      6.861 CV     1
 ASSI {  884}
   (  segid "PX14" and resid 36   and name HD2%)
   (  segid "PX14" and resid 67   and name HD% )
      3.000     3.000     3.000 peak   884 spectrum    2 weight  0.11000E+01 volume  0.17430E-02 ppm1      0.148 ppm2      7.240 CV     1
 ASSI {  885}
   (  segid "PX14" and resid 36   and name HD2%)
   (  segid "PX14" and resid 67   and name HE% )
      3.400     3.400     2.600 peak   885 spectrum    2 weight  0.11000E+01 volume  0.65769E-03 ppm1      0.157 ppm2      7.049 CV     1
 ASSI {  890}
   (  segid "PX14" and resid 46   and name HD1%)
   (( segid "PX14" and resid 75   and name HB1 ))
      3.800     3.800     2.200 peak   890 spectrum    2 weight  0.11000E+01 volume  0.22008E-03 ppm1      0.635 ppm2      2.603 CV     1
 ASSI {  891}
   (( segid "PX14" and resid 54   and name HG1 ))
   (  segid "PX14" and resid 63   and name HG2%)
      2.800     2.800     3.200 peak   891 spectrum    2 weight  0.11000E+01 volume  0.35857E-02 ppm1      1.446 ppm2      0.641 CV     1
 ASSI {  893}
   (  segid "PX14" and resid 33   and name HG1%)
   (( segid "PX14" and resid 70   and name HA  ))
      6.000     6.000     0.000 peak   893 spectrum    2 weight  0.11000E+01 volume  0.89368E-05 ppm1      1.092 ppm2      4.298 CV     1
 ASSI {  894}
   (  segid "PX14" and resid 33   and name HG1%)
   (( segid "PX14" and resid 30   and name HA  ))
      3.400     3.400     2.600 peak   894 spectrum    2 weight  0.11000E+01 volume  0.10397E-02 ppm1      1.113 ppm2      3.965 CV     1
 ASSI {  896}
   (  segid "PX14" and resid 33   and name HG1%)
   (  segid "PX14" and resid 66   and name HB% )
      3.000     3.000     3.000 peak   896 spectrum    2 weight  0.11000E+01 volume  0.30297E-02 ppm1      1.101 ppm2      1.343 CV     1
 ASSI {  897}
   (  segid "PX14" and resid 33   and name HG1%)
   (  segid "PX14" and resid 29   and name HG2%)
      3.000     3.000     3.000 peak   897 spectrum    2 weight  0.11000E+01 volume  0.18039E-02 ppm1      1.097 ppm2      0.758 CV     1
 ASSI {  902}
   (  segid "PX14" and resid 46   and name HD2%)
   (  segid "PX14" and resid 67   and name HD% )
      3.300     3.300     2.700 peak   902 spectrum    2 weight  0.11000E+01 volume  0.56376E-03 ppm1      0.611 ppm2      7.251 CV     1
 ASSI {  903}
   (  segid "PX14" and resid 46   and name HD2%)
   (  segid "PX14" and resid 67   and name HE% )
      2.500     2.500     3.500 peak   903 spectrum    2 weight  0.11000E+01 volume  0.30137E-02 ppm1      0.611 ppm2      7.055 CV     1
 ASSI {  904}
   (  segid "PX14" and resid 46   and name HD2%)
   (( segid "PX14" and resid 67   and name HZ  ))
      2.800     2.800     3.200 peak   904 spectrum    2 weight  0.11000E+01 volume  0.12663E-02 ppm1      0.620 ppm2      6.917 CV     1
 ASSI {  912}
   (  segid "PX14" and resid 46   and name HD2%)
   (( segid "PX14" and resid 72   and name HB  ))
      2.800     2.800     3.200 peak   912 spectrum    2 weight  0.11000E+01 volume  0.13494E-02 ppm1      0.606 ppm2      4.181 CV     1
 ASSI {  915}
   (  segid "PX14" and resid 28   and name HD1%)
   (( segid "PX05" and resid 103  and name HZ2 ))
      2.300     2.300     3.700 peak   915 spectrum    2 weight  0.11000E+01 volume  0.48241E-02 ppm1      0.988 ppm2      7.340 CV     1
 ASSI {  916}
   (  segid "PX14" and resid 28   and name HD1%)
   (( segid "PX05" and resid 103  and name HH2 ))
      2.100     2.100     3.900 peak   916 spectrum    2 weight  0.11000E+01 volume  0.71112E-02 ppm1      0.992 ppm2      6.858 CV     1
 ASSI {  917}
   (  segid "PX14" and resid 53   and name HD1%)
   (  segid "PX14" and resid 35   and name HD% )
      2.700     2.700     3.300 peak   917 spectrum    2 weight  0.11000E+01 volume  0.33316E-02 ppm1      0.717 ppm2      7.214 CV     1
 ASSI {  918}
   (  segid "PX14" and resid 53   and name HD1%)
   (( segid "PX05" and resid 103  and name HE3 ))
      4.100     4.100     1.900 peak   918 spectrum    2 weight  0.11000E+01 volume  0.63997E-03 ppm1      0.713 ppm2      6.865 CV     1
 ASSI {  922}
   (  segid "PX14" and resid 48   and name HG2%)
   (  segid "PX05" and resid 107  and name HE% )
      2.400     2.400     3.600 peak   922 spectrum    2 weight  0.11000E+01 volume  0.13355E-01 ppm1      1.377 ppm2      7.259 CV     1
 ASSI {  924}
   (  segid "PX14" and resid 41   and name HG1%)
   (  segid "PX05" and resid 107  and name HE% )
      2.500     2.500     3.500 peak   924 spectrum    2 weight  0.11000E+01 volume  0.56078E-02 ppm1      0.478 ppm2      7.232 CV     1
 ASSI {  925}
   (  segid "PX14" and resid 36   and name HD1%)
   (( segid "PX14" and resid 67   and name HZ  ))
      5.600     5.600     0.400 peak   925 spectrum    2 weight  0.11000E+01 volume  0.70864E-04 ppm1      0.528 ppm2      6.934 CV     1
 OR {  925}
   (  segid "PX14" and resid 36   and name HD1%)
   (( segid "PX14" and resid 67   and name HZ  ))
 ASSI {  926}
   (  segid "PX14" and resid 41   and name HG1%)
   (  segid "PX14" and resid 35   and name HE% )
      2.600     2.600     3.400 peak   926 spectrum    2 weight  0.11000E+01 volume  0.45119E-02 ppm1      0.471 ppm2      6.605 CV     1
 ASSI {  933}
   (  segid "PX14" and resid 41   and name HG2%)
   (( segid "PX14" and resid 49   and name HG1 ))
      3.900     3.900     2.100 peak   933 spectrum    2 weight  0.11000E+01 volume  0.88831E-03 ppm1     -0.432 ppm2      1.175 CV     1
 ASSI {  935}
   (  segid "PX14" and resid 32   and name HB% )
   (( segid "PX05" and resid 103  and name HZ3 ))
      2.700     2.700     3.300 peak   935 spectrum    2 weight  0.11000E+01 volume  0.41396E-02 ppm1      1.572 ppm2      6.359 CV     1
 ASSI {  937}
   (  segid "PX14" and resid 32   and name HB% )
   (  segid "PX14" and resid 58   and name HD1%)
      2.300     2.300     3.700 peak   937 spectrum    2 weight  0.11000E+01 volume  0.90616E-02 ppm1      1.572 ppm2      0.718 CV     1
 ASSI {  939}
   (  segid "PX14" and resid 32   and name HB% )
   (  segid "PX14" and resid 66   and name HB% )
      2.200     2.200     3.800 peak   939 spectrum    2 weight  0.11000E+01 volume  0.99298E-02 ppm1      1.569 ppm2      1.317 CV     1
 ASSI {  942}
   (  segid "PX14" and resid 73   and name HB% )
   (( segid "PX14" and resid 67   and name HB2 ))
      3.000     3.000     3.000 peak   942 spectrum    2 weight  0.11000E+01 volume  0.99331E-03 ppm1      1.294 ppm2      3.032 CV     1
 ASSI {  945}
   (  segid "PX14" and resid 66   and name HB% )
   (  segid "PX14" and resid 67   and name HD% )
      3.600     3.600     2.400 peak   945 spectrum    2 weight  0.11000E+01 volume  0.96480E-03 ppm1      1.291 ppm2      7.255 CV     1
 ASSI {  948}
   (  segid "PX14" and resid 66   and name HB% )
   (  segid "PX14" and resid 63   and name HG2%)
      3.300     3.300     2.700 peak   948 spectrum    2 weight  0.11000E+01 volume  0.16049E-02 ppm1      1.303 ppm2      0.663 CV     1
 ASSI {  949}
   (  segid "PX14" and resid 66   and name HB% )
   (  segid "PX14" and resid 36   and name HD1%)
      4.500     4.500     1.500 peak   949 spectrum    2 weight  0.11000E+01 volume  0.15276E-03 ppm1      1.291 ppm2      0.543 CV     1
 ASSI {  950}
   (  segid "PX14" and resid 66   and name HB% )
   (  segid "PX14" and resid 36   and name HD2%)
      2.700     2.700     3.300 peak   950 spectrum    2 weight  0.11000E+01 volume  0.41005E-02 ppm1      1.306 ppm2      0.196 CV     1
 ASSI {  952}
   (  segid "PX14" and resid 30   and name HB% )
   (( segid "PX14" and resid 27   and name HA  ))
      2.700     2.700     3.300 peak   952 spectrum    2 weight  0.11000E+01 volume  0.35510E-02 ppm1      1.330 ppm2      4.307 CV     1
 ASSI {  954}
   (  segid "PX14" and resid 63   and name HD1%)
   (  segid "PX14" and resid 67   and name HD% )
      3.100     3.100     2.900 peak   954 spectrum    2 weight  0.11000E+01 volume  0.31672E-02 ppm1      0.794 ppm2      7.279 CV     1
 ASSI {  955}
   (  segid "PX14" and resid 63   and name HD1%)
   (  segid "PX14" and resid 67   and name HE% )
      2.700     2.700     3.300 peak   955 spectrum    2 weight  0.11000E+01 volume  0.44704E-02 ppm1      0.794 ppm2      7.059 CV     1
 ASSI {  956}
   (  segid "PX14" and resid 63   and name HD1%)
   (( segid "PX14" and resid 63   and name HA  ))
      3.200     3.200     2.800 peak   956 spectrum    2 weight  0.11000E+01 volume  0.58633E-02 ppm1      0.779 ppm2      3.278 CV     1
 ASSI {  960}
   (  segid "PX14" and resid 65   and name HE% )
   (  segid "PX14" and resid 29   and name HG2%)
      3.200     3.200     2.800 peak   960 spectrum    2 weight  0.11000E+01 volume  0.62052E-03 ppm1      1.981 ppm2      0.751 CV     1
 ASSI {  963}
   (  segid "PX14" and resid 29   and name HG2%)
   (( segid "PX14" and resid 30   and name HA  ))
      4.100     4.100     1.900 peak   963 spectrum    2 weight  0.11000E+01 volume  0.31204E-03 ppm1      0.727 ppm2      3.964 CV     1
 ASSI {  965}
   (  segid "PX14" and resid 29   and name HG2%)
   (( segid "PX14" and resid 65   and name HB2 ))
      3.300     3.300     2.700 peak   965 spectrum    2 weight  0.11000E+01 volume  0.23872E-02 ppm1      0.727 ppm2      2.122 CV     1
 ASSI {  967}
   (  segid "PX14" and resid 29   and name HG2%)
   (  segid "PX14" and resid 66   and name HB% )
      2.500     2.500     3.500 peak   967 spectrum    2 weight  0.11000E+01 volume  0.57062E-02 ppm1      0.717 ppm2      1.315 CV     1
 ASSI {  972}
   (  segid "PX14" and resid 29   and name HD1%)
   (( segid "PX14" and resid 62   and name HG1 ))
      4.500     4.500     1.500 peak   972 spectrum    2 weight  0.11000E+01 volume  0.55235E-03 ppm1      0.852 ppm2      2.433 CV     1
 ASSI {  974}
   (  segid "PX14" and resid 29   and name HD1%)
   (  segid "PX14" and resid 65   and name HE% )
      3.400     3.400     2.600 peak   974 spectrum    2 weight  0.11000E+01 volume  0.10946E-02 ppm1      0.858 ppm2      2.049 CV     1
 ASSI {  975}
   (  segid "PX14" and resid 63   and name HG2%)
   (( segid "PX14" and resid 60   and name HA  ))
      4.700     4.700     1.300 peak   975 spectrum    2 weight  0.11000E+01 volume  0.33579E-03 ppm1      0.623 ppm2      4.289 CV     1
 ASSI {  976}
   (  segid "PX14" and resid 63   and name HG2%)
   (( segid "PX14" and resid 50   and name HA  ))
      3.700     3.700     2.300 peak   976 spectrum    2 weight  0.11000E+01 volume  0.48709E-03 ppm1      0.623 ppm2      3.894 CV     1
 ASSI {  977}
   (  segid "PX14" and resid 63   and name HG2%)
   (( segid "PX14" and resid 63   and name HA  ))
      3.000     3.000     3.000 peak   977 spectrum    2 weight  0.11000E+01 volume  0.15812E-02 ppm1      0.620 ppm2      3.280 CV     1
 ASSI {  981}
   (  segid "PX14" and resid 63   and name HG2%)
   (( segid "PX14" and resid 50   and name HG1 ))
      3.900     3.900     2.100 peak   981 spectrum    2 weight  0.11000E+01 volume  0.66851E-03 ppm1      0.623 ppm2      1.486 CV     1
 ASSI {  982}
   (  segid "PX14" and resid 63   and name HG2%)
   (( segid "PX14" and resid 53   and name HG  ))
      3.700     3.700     2.300 peak   982 spectrum    2 weight  0.11000E+01 volume  0.91018E-03 ppm1      0.623 ppm2      1.227 CV     1
 ASSI {  987}
   (( segid "PX14" and resid 24   and name HD1 ))
   (( segid "PX14" and resid 23   and name HB1 ))
      5.700     5.700     0.300 peak   987 spectrum    2 weight  0.11000E+01 volume  0.11879E-03 ppm1      3.884 ppm2      1.503 CV     1
 ASSI {  988}
   (( segid "PX14" and resid 24   and name HD1 ))
   (( segid "PX14" and resid 23   and name HB2 ))
      6.000     6.000     0.000 peak   988 spectrum    2 weight  0.11000E+01 volume  0.29251E-04 ppm1      3.886 ppm2      1.553 CV     1
 ASSI {  989}
   (( segid "PX14" and resid 24   and name HD2 ))
   (( segid "PX14" and resid 23   and name HB2 ))
      4.300     4.300     1.700 peak   989 spectrum    2 weight  0.11000E+01 volume  0.57727E-03 ppm1      3.553 ppm2      1.567 CV     1
 ASSI {  991}
   (( segid "PX14" and resid 63   and name HB  ))
   (( segid "PX14" and resid 63   and name HA  ))
      4.000     4.000     2.000 peak   991 spectrum    2 weight  0.11000E+01 volume  0.28429E-03 ppm1      1.858 ppm2      3.264 CV     1
 ASSI {  996}
   (  segid "PX14" and resid 63   and name HD1%)
   (  segid "PX14" and resid 63   and name HG2%)
      2.300     2.300     3.700 peak   996 spectrum    2 weight  0.11000E+01 volume  0.90173E-02 ppm1      0.781 ppm2      0.637 CV     1
 ASSI {  997}
   (  segid "PX14" and resid 41   and name HG2%)
   (( segid "PX14" and resid 49   and name HD2 ))
      3.600     3.600     2.400 peak   997 spectrum    2 weight  0.11000E+01 volume  0.12096E-02 ppm1     -0.400 ppm2      2.690 CV     1
 ASSI {  999}
   (  segid "PX14" and resid 41   and name HG2%)
   (( segid "PX14" and resid 36   and name HA  ))
      3.100     3.100     2.900 peak   999 spectrum    2 weight  0.11000E+01 volume  0.30994E-02 ppm1     -0.402 ppm2      3.398 CV     1
 ASSI { 1001}
   (( segid "PX14" and resid 37   and name HG1 ))
   (  segid "PX14" and resid 33   and name HG2%)
      3.400     3.400     2.600 peak  1001 spectrum    2 weight  0.11000E+01 volume  0.96319E-03 ppm1      2.698 ppm2      0.643 CV     1
 ASSI { 1002}
   (( segid "PX14" and resid 37   and name HG2 ))
   (  segid "PX14" and resid 33   and name HG2%)
      4.200     4.200     1.800 peak  1002 spectrum    2 weight  0.11000E+01 volume  0.46137E-03 ppm1      2.199 ppm2      0.653 CV     1
 ASSI { 1003}
   (  segid "PX14" and resid 33   and name HG2%)
   (( segid "PX14" and resid 69   and name HB2 ))
      4.400     4.400     1.600 peak  1003 spectrum    2 weight  0.11000E+01 volume  0.31598E-03 ppm1      0.625 ppm2      1.885 CV     1
 ASSI { 1006}
   (  segid "PX14" and resid 58   and name HD1%)
   (( segid "PX14" and resid 62   and name HG2 ))
      4.800     4.800     1.200 peak  1006 spectrum    2 weight  0.11000E+01 volume  0.33866E-03 ppm1      0.687 ppm2      2.000 CV     1
 ASSI { 1012}
   (( segid "PX14" and resid 50   and name HA  ))
   (  segid "PX14" and resid 63   and name HD1%)
      3.100     3.100     2.900 peak  1012 spectrum    2 weight  0.11000E+01 volume  0.15669E-02 ppm1      3.872 ppm2      0.800 CV     1
 ASSI { 1014}
   (( segid "PX14" and resid 70   and name HB1 ))
   (  segid "PX14" and resid 36   and name HD2%)
      3.100     3.100     2.900 peak  1014 spectrum    2 weight  0.11000E+01 volume  0.80800E-03 ppm1      4.069 ppm2      0.177 CV     1
 ASSI { 1015}
   (( segid "PX14" and resid 70   and name HB2 ))
   (  segid "PX14" and resid 36   and name HD2%)
      3.400     3.400     2.600 peak  1015 spectrum    2 weight  0.11000E+01 volume  0.47304E-03 ppm1      3.830 ppm2      0.181 CV     1
 ASSI { 1017}
   (  segid "PX14" and resid 63   and name HG2%)
   (( segid "PX14" and resid 54   and name HE1 ))
      3.500     3.500     2.500 peak  1017 spectrum    2 weight  0.11000E+01 volume  0.35764E-03 ppm1      0.615 ppm2      2.863 CV     1
 ASSI { 1026}
   (( segid "PX14" and resid 81   and name HB2 ))
   (( segid "PX14" and resid 81   and name HA  ))
      6.000     6.000     0.000 peak  1026 spectrum    2 weight  0.11000E+01 volume  0.25485E-04 ppm1      3.051 ppm2      4.489 CV     1
 ASSI { 1029}
   (( segid "PX14" and resid 81   and name HB2 ))
   (( segid "PX14" and resid 81   and name HB1 ))
      2.400     2.400     3.600 peak  1029 spectrum    2 weight  0.11000E+01 volume  0.34274E-02 ppm1      3.081 ppm2      3.295 CV     1
 ASSI { 1033}
   (  segid "PX14" and resid 53   and name HD2%)
   (  segid "PX14" and resid 67   and name HD% )
      2.800     2.800     3.200 peak  1033 spectrum    2 weight  0.11000E+01 volume  0.15205E-02 ppm1      0.910 ppm2      7.220 CV     1
 ASSI { 1034}
   (( segid "PX14" and resid 67   and name HA  ))
   (  segid "PX14" and resid 67   and name HD% )
      2.500     2.500     3.500 peak  1034 spectrum    2 weight  0.11000E+01 volume  0.41161E-02 ppm1      3.921 ppm2      7.243 CV     1
 ASSI { 1035}
   (( segid "PX14" and resid 32   and name HA  ))
   (  segid "PX14" and resid 35   and name HD% )
      4.100     4.100     1.900 peak  1035 spectrum    2 weight  0.11000E+01 volume  0.39070E-03 ppm1      4.179 ppm2      7.191 CV     1
 ASSI { 1038}
   (( segid "PX14" and resid 49   and name HD2 ))
   (  segid "PX14" and resid 67   and name HD% )
      4.800     4.800     1.200 peak  1038 spectrum    2 weight  0.11000E+01 volume  0.15048E-03 ppm1      2.623 ppm2      7.276 CV     1
 ASSI { 1039}
   (( segid "PX14" and resid 49   and name HD1 ))
   (  segid "PX14" and resid 67   and name HD% )
      3.900     3.900     2.100 peak  1039 spectrum    2 weight  0.11000E+01 volume  0.77117E-03 ppm1      3.221 ppm2      7.274 CV     1
 ASSI { 1040}
   (( segid "PX14" and resid 50   and name HD1 ))
   (( segid "PX14" and resid 67   and name HZ  ))
      5.800     5.800     0.200 peak  1040 spectrum    2 weight  0.11000E+01 volume  0.12253E-03 ppm1      3.103 ppm2      6.935 CV     1
 ASSI { 1041}
   (( segid "PX14" and resid 50   and name HD1 ))
   (  segid "PX14" and resid 67   and name HE% )
      5.500     5.500     0.500 peak  1041 spectrum    2 weight  0.11000E+01 volume  0.13549E-03 ppm1      3.105 ppm2      7.081 CV     1
 ASSI { 1042}
   (( segid "PX14" and resid 72   and name HB  ))
   (  segid "PX14" and resid 67   and name HD% )
      3.700     3.700     2.300 peak  1042 spectrum    2 weight  0.11000E+01 volume  0.85121E-03 ppm1      4.165 ppm2      7.253 CV     1
 ASSI { 1043}
   (  segid "PX14" and resid 32   and name HB% )
   (  segid "PX14" and resid 67   and name HE% )
      4.400     4.400     1.600 peak  1043 spectrum    2 weight  0.11000E+01 volume  0.33392E-03 ppm1      1.579 ppm2      7.062 CV     1
 ASSI { 1044}
   (  segid "PX14" and resid 63   and name HG2%)
   (  segid "PX14" and resid 67   and name HE% )
      4.000     4.000     2.000 peak  1044 spectrum    2 weight  0.11000E+01 volume  0.28712E-03 ppm1      0.625 ppm2      7.057 CV     1
 ASSI { 1045}
   (  segid "PX14" and resid 63   and name HG2%)
   (  segid "PX14" and resid 67   and name HD% )
      4.600     4.600     1.400 peak  1045 spectrum    2 weight  0.11000E+01 volume  0.19375E-03 ppm1      0.627 ppm2      7.267 CV     1
 ASSI { 1053}
   (( segid "PX14" and resid 62   and name HG2 ))
   (( segid "PX14" and resid 24   and name HA  ))
      5.000     5.000     1.000 peak  1053 spectrum    2 weight  0.11000E+01 volume  0.84846E-04 ppm1      2.111 ppm2      4.462 CV     1
 ASSI { 1055}
   (( segid "PX14" and resid 49   and name HB1 ))
   (( segid "PX14" and resid 67   and name HZ  ))
      3.100     3.100     2.900 peak  1055 spectrum    2 weight  0.11000E+01 volume  0.10939E-02 ppm1      2.385 ppm2      6.923 CV     1
 ASSI { 1056}
   (( segid "PX14" and resid 49   and name HB2 ))
   (( segid "PX14" and resid 67   and name HZ  ))
      3.700     3.700     2.300 peak  1056 spectrum    2 weight  0.11000E+01 volume  0.50822E-03 ppm1      1.591 ppm2      6.930 CV     1
 ASSI { 1058}
   (( segid "PX14" and resid 49   and name HB1 ))
   (  segid "PX14" and resid 67   and name HD% )
      5.300     5.300     0.700 peak  1058 spectrum    2 weight  0.11000E+01 volume  0.15747E-03 ppm1      2.411 ppm2      7.266 CV     1
 ASSI { 1059}
   (( segid "PX14" and resid 49   and name HB1 ))
   (  segid "PX14" and resid 67   and name HE% )
      4.600     4.600     1.400 peak  1059 spectrum    2 weight  0.11000E+01 volume  0.89838E-04 ppm1      2.398 ppm2      7.065 CV     1
 ASSI { 1060}
   (( segid "PX14" and resid 49   and name HB2 ))
   (  segid "PX14" and resid 67   and name HE% )
      5.300     5.300     0.700 peak  1060 spectrum    2 weight  0.11000E+01 volume  0.73158E-04 ppm1      1.600 ppm2      7.065 CV     1
 ASSI { 1061}
   (( segid "PX14" and resid 49   and name HD1 ))
   (( segid "PX14" and resid 67   and name HZ  ))
      6.000     6.000     0.000 peak  1061 spectrum    2 weight  0.11000E+01 volume  0.16563E-06 ppm1      3.224 ppm2      6.957 CV     1
 ASSI { 1063}
   (( segid "PX14" and resid 36   and name HB1 ))
   (  segid "PX14" and resid 67   and name HE% )
      5.400     5.400     0.600 peak  1063 spectrum    2 weight  0.11000E+01 volume  0.12674E-03 ppm1      1.755 ppm2      7.105 CV     1
 ASSI { 1064}
   (( segid "PX14" and resid 36   and name HB2 ))
   (  segid "PX14" and resid 67   and name HE% )
      5.600     5.600     0.400 peak  1064 spectrum    2 weight  0.11000E+01 volume  0.18666E-03 ppm1      1.192 ppm2      7.076 CV     1
 ASSI { 1066}
   (( segid "PX14" and resid 50   and name HB1 ))
   (( segid "PX14" and resid 67   and name HZ  ))
      4.000     4.000     2.000 peak  1066 spectrum    2 weight  0.11000E+01 volume  0.10546E-02 ppm1      1.878 ppm2      6.942 CV     1
 ASSI { 1070}
   (  segid "PX14" and resid 58   and name HD2%)
   (( segid "PX05" and resid 103  and name HZ3 ))
      3.200     3.200     2.800 peak  1070 spectrum    2 weight  0.11000E+01 volume  0.19779E-02 ppm1      0.886 ppm2      6.353 CV     1
 ASSI { 1071}
   (  segid "PX14" and resid 58   and name HD2%)
   (( segid "PX05" and resid 103  and name HZ2 ))
      3.300     3.300     2.700 peak  1071 spectrum    2 weight  0.11000E+01 volume  0.19562E-02 ppm1      0.890 ppm2      7.335 CV     1
 ASSI { 1072}
   (  segid "PX14" and resid 32   and name HB% )
   (( segid "PX05" and resid 103  and name HH2 ))
      4.000     4.000     2.000 peak  1072 spectrum    2 weight  0.11000E+01 volume  0.39033E-03 ppm1      1.569 ppm2      6.869 CV     1
 ASSI { 1073}
   (  segid "PX14" and resid 32   and name HB% )
   (( segid "PX05" and resid 103  and name HE3 ))
      4.600     4.600     1.400 peak  1073 spectrum    2 weight  0.11000E+01 volume  0.55878E-03 ppm1      1.572 ppm2      6.632 CV     1
 ASSI { 1074}
   (  segid "PX14" and resid 41   and name HG2%)
   (  segid "PX14" and resid 35   and name HE% )
      3.700     3.700     2.300 peak  1074 spectrum    2 weight  0.11000E+01 volume  0.72581E-03 ppm1     -0.423 ppm2      6.609 CV     1
 ASSI { 1075}
   (  segid "PX14" and resid 41   and name HG2%)
   (  segid "PX05" and resid 107  and name HD% )
      3.500     3.500     2.500 peak  1075 spectrum    2 weight  0.11000E+01 volume  0.61236E-03 ppm1     -0.405 ppm2      6.769 CV     1
 ASSI { 1076}
   (  segid "PX14" and resid 41   and name HG2%)
   (  segid "PX14" and resid 35   and name HD% )
      4.500     4.500     1.500 peak  1076 spectrum    2 weight  0.11000E+01 volume  0.20616E-03 ppm1     -0.423 ppm2      7.185 CV     1
 ASSI { 1077}
   (  segid "PX14" and resid 41   and name HG2%)
   (  segid "PX05" and resid 107  and name HE% )
      2.700     2.700     3.300 peak  1077 spectrum    2 weight  0.11000E+01 volume  0.31130E-02 ppm1     -0.429 ppm2      7.271 CV     1
 ASSI { 1078}
   (( segid "PX14" and resid 52   and name HB2 ))
   (  segid "PX05" and resid 107  and name HE% )
      2.900     2.900     3.100 peak  1078 spectrum    2 weight  0.11000E+01 volume  0.18166E-02 ppm1      2.977 ppm2      7.247 CV     1
 ASSI { 1079}
   (( segid "PX14" and resid 40   and name HD1 ))
   (( segid "PX14" and resid 40   and name HB1 ))
      2.300     2.300     3.700 peak  1079 spectrum    2 weight  0.11000E+01 volume  0.96218E-02 ppm1      3.200 ppm2      1.869 CV     1
 ASSI { 1087}
   (( segid "PX14" and resid 64   and name HB1 ))
   (( segid "PX14" and resid 61   and name HA  ))
      2.900     2.900     3.100 peak  1087 spectrum    2 weight  0.11000E+01 volume  0.21307E-02 ppm1      2.811 ppm2      4.052 CV     1
 ASSI { 1095}
   (( segid "PX14" and resid 68   and name HA  ))
   (( segid "PX14" and resid 69   and name HB1 ))
      2.900     2.900     3.100 peak  1095 spectrum    2 weight  0.11000E+01 volume  0.81853E-02 ppm1      4.038 ppm2      2.086 CV     1
 ASSI { 1096}
   (( segid "PX14" and resid 49   and name HB2 ))
   (  segid "PX14" and resid 36   and name HD1%)
      5.600     5.600     0.400 peak  1096 spectrum    2 weight  0.11000E+01 volume  0.11291E-03 ppm1      1.608 ppm2      0.560 CV     1
 ASSI { 1098}
   (( segid "PX14" and resid 80   and name HA  ))
   (  segid "PX14" and resid 80   and name HD2%)
      4.800     4.800     1.200 peak  1098 spectrum    2 weight  0.11000E+01 volume  0.16112E-03 ppm1      4.166 ppm2      0.730 CV     1
 ASSI { 1099}
   (( segid "PX14" and resid 38   and name HA  ))
   (( segid "PX14" and resid 38   and name HB1 ))
      2.600     2.600     3.400 peak  1099 spectrum    2 weight  0.11000E+01 volume  0.46946E-02 ppm1      4.301 ppm2      2.733 CV     1
 ASSI { 1103}
   (( segid "PX14" and resid 37   and name HG1 ))
   (( segid "PX14" and resid 70   and name HB2 ))
      3.700     3.700     2.300 peak  1103 spectrum    2 weight  0.11000E+01 volume  0.69347E-03 ppm1      2.708 ppm2      3.846 CV     1
 ASSI { 1104}
   (( segid "PX14" and resid 37   and name HG2 ))
   (( segid "PX14" and resid 70   and name HB2 ))
      3.700     3.700     2.300 peak  1104 spectrum    2 weight  0.11000E+01 volume  0.68153E-03 ppm1      2.192 ppm2      3.836 CV     1
 ASSI { 1110}
   (  segid "PX14" and resid 33   and name HG1%)
   (( segid "PX14" and resid 69   and name HG2 ))
      4.900     4.900     1.100 peak  1110 spectrum    2 weight  0.11000E+01 volume  0.24901E-03 ppm1      1.109 ppm2      2.330 CV     1
 ASSI { 1113}
   (( segid "PX14" and resid 33   and name HA  ))
   (( segid "PX14" and resid 70   and name HB2 ))
      3.200     3.200     2.800 peak  1113 spectrum    2 weight  0.11000E+01 volume  0.16490E-02 ppm1      3.271 ppm2      3.850 CV     1
 ASSI { 1114}
   (  segid "PX14" and resid 53   and name HD2%)
   (( segid "PX14" and resid 63   and name HA  ))
      3.400     3.400     2.600 peak  1114 spectrum    2 weight  0.11000E+01 volume  0.15107E-02 ppm1      0.919 ppm2      3.290 CV     1
 ASSI { 1117}
   (( segid "PX14" and resid 70   and name HB1 ))
   (( segid "PX14" and resid 37   and name HG1 ))
      4.100     4.100     1.900 peak  1117 spectrum    2 weight  0.11000E+01 volume  0.27897E-03 ppm1      4.069 ppm2      2.714 CV     1
 ASSI { 1118}
   (( segid "PX14" and resid 70   and name HB2 ))
   (  segid "PX14" and resid 33   and name HG1%)
      3.500     3.500     2.500 peak  1118 spectrum    2 weight  0.11000E+01 volume  0.36712E-03 ppm1      3.803 ppm2      1.129 CV     1
 ASSI { 1121}
   (( segid "PX14" and resid 44   and name HB2 ))
   (( segid "PX14" and resid 44   and name HA  ))
      2.500     2.500     3.500 peak  1121 spectrum    2 weight  0.11000E+01 volume  0.66474E-02 ppm1      4.032 ppm2      4.805 CV     1
 ASSI { 1125}
   (  segid "PX14" and resid 53   and name HD2%)
   (( segid "PX14" and resid 58   and name HB1 ))
      4.200     4.200     1.800 peak  1125 spectrum    2 weight  0.11000E+01 volume  0.59432E-03 ppm1      0.914 ppm2      1.898 CV     1
 ASSI { 1126}
   (( segid "PX14" and resid 49   and name HA  ))
   (  segid "PX05" and resid 107  and name HE% )
      2.600     2.600     3.400 peak  1126 spectrum    2 weight  0.11000E+01 volume  0.33124E-02 ppm1      3.928 ppm2      7.271 CV     1
 ASSI { 1127}
   (( segid "PX14" and resid 35   and name HA  ))
   (( segid "PX14" and resid 38   and name HB1 ))
      4.500     4.500     1.500 peak  1127 spectrum    2 weight  0.11000E+01 volume  0.29436E-03 ppm1      4.223 ppm2      2.718 CV     1
 ASSI { 1130}
   (( segid "PX14" and resid 53   and name HB1 ))
   (( segid "PX14" and resid 50   and name HA  ))
      4.500     4.500     1.500 peak  1130 spectrum    2 weight  0.11000E+01 volume  0.63531E-03 ppm1      1.970 ppm2      3.884 CV     1
 ASSI { 1132}
   (( segid "PX14" and resid 34   and name HB1 ))
   (  segid "PX14" and resid 33   and name HG2%)
      3.600     3.600     2.400 peak  1132 spectrum    2 weight  0.11000E+01 volume  0.21871E-02 ppm1      1.859 ppm2      0.639 CV     1
 ASSI { 1135}
   (( segid "PX14" and resid 72   and name HB  ))
   (( segid "PX14" and resid 67   and name HB2 ))
      4.800     4.800     1.200 peak  1135 spectrum    2 weight  0.11000E+01 volume  0.54337E-03 ppm1      4.165 ppm2      3.009 CV     1
 ASSI { 1140}
   (( segid "PX14" and resid 70   and name HB1 ))
   (( segid "PX14" and resid 36   and name HB1 ))
      5.300     5.300     0.700 peak  1140 spectrum    2 weight  0.11000E+01 volume  0.90992E-04 ppm1      4.069 ppm2      1.796 CV     1
 ASSI { 1141}
   (( segid "PX14" and resid 70   and name HB2 ))
   (( segid "PX14" and resid 36   and name HB1 ))
      5.500     5.500     0.500 peak  1141 spectrum    2 weight  0.11000E+01 volume  0.70025E-04 ppm1      3.802 ppm2      1.795 CV     1
 ASSI { 1144}
   (( segid "PX14" and resid 36   and name HB2 ))
   (( segid "PX14" and resid 70   and name HB2 ))
      4.000     4.000     2.000 peak  1144 spectrum    2 weight  0.11000E+01 volume  0.30024E-03 ppm1      1.202 ppm2      3.837 CV     1
 ASSI { 1145}
   (( segid "PX14" and resid 67   and name HA  ))
   (( segid "PX14" and resid 70   and name HB2 ))
      2.100     2.100     3.900 peak  1145 spectrum    2 weight  0.11000E+01 volume  0.13174E-01 ppm1      3.921 ppm2      3.808 CV     1
 ASSI { 1148}
   (( segid "PX14" and resid 24   and name HG1 ))
   (  segid "PX14" and resid 23   and name HD1%)
      4.500     4.500     1.500 peak  1148 spectrum    2 weight  0.11000E+01 volume  0.67918E-03 ppm1      1.994 ppm2      0.894 CV     1
 ASSI { 1149}
   (( segid "PX14" and resid 38   and name HB1 ))
   (  segid "PX05" and resid 104  and name HB% )
      3.700     3.700     2.300 peak  1149 spectrum    2 weight  0.11000E+01 volume  0.84980E-03 ppm1      2.713 ppm2      1.570 CV     1
 ASSI { 1150}
   (( segid "PX14" and resid 38   and name HB1 ))
   (  segid "PX14" and resid 41   and name HG1%)
      3.200     3.200     2.800 peak  1150 spectrum    2 weight  0.11000E+01 volume  0.28525E-02 ppm1      2.705 ppm2      0.485 CV     1
 ASSI { 1151}
   (( segid "PX14" and resid 61   and name HB2 ))
   (( segid "PX14" and resid 61   and name HG1 ))
      2.500     2.500     3.500 peak  1151 spectrum    2 weight  0.11000E+01 volume  0.54173E-02 ppm1      1.840 ppm2      2.233 CV     1
 ASSI { 1155}
   (( segid "PX14" and resid 61   and name HA  ))
   (( segid "PX14" and resid 65   and name HB1 ))
      3.500     3.500     2.500 peak  1155 spectrum    2 weight  0.11000E+01 volume  0.16080E-02 ppm1      4.027 ppm2      2.485 CV     1
 ASSI { 1158}
   (( segid "PX14" and resid 50   and name HA  ))
   (  segid "PX14" and resid 67   and name HE% )
      3.400     3.400     2.600 peak  1158 spectrum    2 weight  0.11000E+01 volume  0.93360E-03 ppm1      3.859 ppm2      7.046 CV     1
 ASSI { 1159}
   (( segid "PX14" and resid 50   and name HA  ))
   (( segid "PX14" and resid 67   and name HZ  ))
      3.100     3.100     2.900 peak  1159 spectrum    2 weight  0.11000E+01 volume  0.12680E-02 ppm1      3.865 ppm2      6.927 CV     1
 ASSI { 1160}
   (( segid "PX14" and resid 49   and name HG2 ))
   (  segid "PX05" and resid 107  and name HD% )
      3.900     3.900     2.100 peak  1160 spectrum    2 weight  0.11000E+01 volume  0.58635E-03 ppm1      1.164 ppm2      7.268 CV     1
 ASSI { 1162}
   (  segid "PX14" and resid 58   and name HD1%)
   (( segid "PX05" and resid 103  and name HZ3 ))
      3.900     3.900     2.100 peak  1162 spectrum    2 weight  0.11000E+01 volume  0.44242E-03 ppm1      0.701 ppm2      6.357 CV     1
 ASSI { 1163}
   (  segid "PX14" and resid 58   and name HD1%)
   (( segid "PX05" and resid 103  and name HH2 ))
      4.100     4.100     1.900 peak  1163 spectrum    2 weight  0.11000E+01 volume  0.27045E-03 ppm1      0.689 ppm2      6.866 CV     1
 ASSI { 1164}
   (( segid "PX14" and resid 40   and name HD1 ))
   (  segid "PX05" and resid 108  and name HD2%)
      2.900     2.900     3.100 peak  1164 spectrum    2 weight  0.11000E+01 volume  0.10387E-02 ppm1      3.198 ppm2      0.795 CV     1
 ASSI { 1165}
   (( segid "PX14" and resid 40   and name HB1 ))
   (  segid "PX05" and resid 108  and name HD2%)
      3.000     3.000     3.000 peak  1165 spectrum    2 weight  0.11000E+01 volume  0.23422E-02 ppm1      1.856 ppm2      0.758 CV     1
 ASSI { 1167}
   (( segid "PX14" and resid 44   and name HB1 ))
   (( segid "PX14" and resid 45   and name HD2 ))
      2.500     2.500     3.500 peak  1167 spectrum    2 weight  0.11000E+01 volume  0.25097E-02 ppm1      4.104 ppm2      3.633 CV     1
 ASSI { 1168}
   (( segid "PX14" and resid 44   and name HB2 ))
   (( segid "PX14" and resid 45   and name HD2 ))
      3.600     3.600     2.400 peak  1168 spectrum    2 weight  0.11000E+01 volume  0.20239E-02 ppm1      4.002 ppm2      3.636 CV     1
 ASSI { 1174}
   (( segid "PX14" and resid 56   and name HB1 ))
   (( segid "PX14" and resid 53   and name HA  ))
      3.500     3.500     2.500 peak  1174 spectrum    2 weight  0.11000E+01 volume  0.87422E-03 ppm1      1.188 ppm2      3.470 CV     1
 ASSI { 1177}
   (( segid "PX14" and resid 64   and name HA  ))
   (  segid "PX14" and resid 63   and name HG2%)
      6.000     6.000     0.000 peak  1177 spectrum    2 weight  0.11000E+01 volume  0.58689E-05 ppm1      4.386 ppm2      0.659 CV     1
 ASSI { 1179}
   (  segid "PX14" and resid 46   and name HD1%)
   (( segid "PX14" and resid 72   and name HB  ))
      3.900     3.900     2.100 peak  1179 spectrum    2 weight  0.11000E+01 volume  0.44810E-03 ppm1      0.597 ppm2      4.179 CV     1
 ASSI { 1180}
   (( segid "PX14" and resid 28   and name HB1 ))
   (( segid "PX05" and resid 103  and name HH2 ))
      3.500     3.500     2.500 peak  1180 spectrum    2 weight  0.11000E+01 volume  0.60241E-03 ppm1      1.675 ppm2      6.875 CV     1
 ASSI { 1181}
   (( segid "PX14" and resid 56   and name HB1 ))
   (( segid "PX05" and resid 103  and name HH2 ))
      4.700     4.700     1.300 peak  1181 spectrum    2 weight  0.11000E+01 volume  0.15770E-03 ppm1      1.159 ppm2      6.855 CV     1
 ASSI { 1182}
   (( segid "PX14" and resid 56   and name HB1 ))
   (( segid "PX05" and resid 103  and name HZ2 ))
      3.500     3.500     2.500 peak  1182 spectrum    2 weight  0.11000E+01 volume  0.13916E-02 ppm1      1.212 ppm2      7.342 CV     1
 ASSI { 1183}
   (( segid "PX14" and resid 40   and name HB1 ))
   (  segid "PX05" and resid 107  and name HE% )
      3.800     3.800     2.200 peak  1183 spectrum    2 weight  0.11000E+01 volume  0.57904E-03 ppm1      1.697 ppm2      7.271 CV     1
 ASSI { 1186}
   (  segid "PX14" and resid 41   and name HG2%)
   (( segid "PX14" and resid 49   and name HB1 ))
      5.100     5.100     0.900 peak  1186 spectrum    2 weight  0.11000E+01 volume  0.17426E-03 ppm1     -0.403 ppm2      1.708 CV     1
 ASSI { 1187}
   (( segid "PX14" and resid 52   and name HA  ))
   (  segid "PX05" and resid 107  and name HE% )
      4.500     4.500     1.500 peak  1187 spectrum    2 weight  0.11000E+01 volume  0.49631E-03 ppm1      4.086 ppm2      7.256 CV     1
 ASSI { 1188}
   (( segid "PX14" and resid 31   and name HA  ))
   (( segid "PX05" and resid 103  and name HZ2 ))
      6.000     6.000     0.000 peak  1188 spectrum    2 weight  0.11000E+01 volume  0.51077E-04 ppm1      3.779 ppm2      6.869 CV     1
 ASSI { 1189}
   (( segid "PX14" and resid 35   and name HB2 ))
   (  segid "PX14" and resid 35   and name HD% )
      3.500     3.500     2.500 peak  1189 spectrum    2 weight  0.11000E+01 volume  0.66564E-03 ppm1      3.343 ppm2      7.205 CV     1
 ASSI { 1192}
   (  segid "PX14" and resid 32   and name HB% )
   (  segid "PX14" and resid 35   and name HD% )
      4.800     4.800     1.200 peak  1192 spectrum    2 weight  0.11000E+01 volume  0.18678E-03 ppm1      1.586 ppm2      7.213 CV     1
 ASSI { 1195}
   (( segid "PX14" and resid 35   and name HA  ))
   (( segid "PX14" and resid 35   and name HB2 ))
      3.300     3.300     2.700 peak  1195 spectrum    2 weight  0.11000E+01 volume  0.67771E-03 ppm1      4.223 ppm2      3.364 CV     1
 ASSI { 1196}
   (( segid "PX14" and resid 56   and name HE1 ))
   (( segid "PX14" and resid 56   and name HG1 ))
      4.000     4.000     2.000 peak  1196 spectrum    2 weight  0.11000E+01 volume  0.71930E-03 ppm1      1.429 ppm2     -0.107 CV     1
 ASSI { 1197}
   (( segid "PX14" and resid 56   and name HE1 ))
   (( segid "PX14" and resid 56   and name HG2 ))
      3.300     3.300     2.700 peak  1197 spectrum    2 weight  0.11000E+01 volume  0.63691E-03 ppm1      1.419 ppm2     -1.180 CV     1
 ASSI { 1198}
   (( segid "PX14" and resid 56   and name HE2 ))
   (  segid "PX14" and resid 52   and name HE% )
      4.000     2.000     2.000 peak  1198 spectrum    2 weight  0.11000E+01 volume  0.27465E-03 ppm1      1.438 ppm2      6.908 CV     1
 ASSI { 1199}
   (( segid "PX14" and resid 56   and name HE2 ))
   (( segid "PX14" and resid 52   and name HZ  ))
      3.900     1.900     1.900 peak  1199 spectrum    2 weight  0.11000E+01 volume  0.57884E-03 ppm1      1.408 ppm2      7.199 CV     1
 ASSI { 1206}
   (  segid "PX14" and resid 31   and name HG2%)
   (( segid "PX05" and resid 103  and name HZ3 ))
      4.300     4.300     1.700 peak  1206 spectrum    2 weight  0.11000E+01 volume  0.30747E-03 ppm1     -0.127 ppm2      6.360 CV     1
 ASSI { 1207}
   (  segid "PX14" and resid 41   and name HG1%)
   (  segid "PX05" and resid 107  and name HD% )
      3.500     3.500     2.500 peak  1207 spectrum    2 weight  0.11000E+01 volume  0.79505E-03 ppm1      0.464 ppm2      6.760 CV     1
 ASSI { 1210}
   (( segid "PX14" and resid 56   and name HB2 ))
   (( segid "PX14" and resid 56   and name HA  ))
      3.700     3.700     2.300 peak  1210 spectrum    2 weight  0.11000E+01 volume  0.40474E-03 ppm1      1.064 ppm2      3.766 CV     1
 ASSI { 1211}
   (( segid "PX14" and resid 56   and name HB2 ))
   (( segid "PX14" and resid 56   and name HB1 ))
      2.100     2.100     3.900 peak  1211 spectrum    2 weight  0.11000E+01 volume  0.46194E-02 ppm1      1.085 ppm2      1.218 CV     1
 ASSI { 1215}
   (( segid "PX14" and resid 56   and name HB2 ))
   (( segid "PX14" and resid 56   and name HG1 ))
      3.600     1.600     1.600 peak  1215 spectrum    2 weight  0.11000E+01 volume  0.78693E-03 ppm1      1.072 ppm2     -1.172 CV     1
 ASSI { 1216}
   (( segid "PX14" and resid 36   and name HG  ))
   (  segid "PX14" and resid 35   and name HD% )
      3.300     3.300     2.700 peak  1216 spectrum    2 weight  0.11000E+01 volume  0.71420E-03 ppm1      2.019 ppm2      7.215 CV     1
 ASSI { 1217}
   (  segid "PX14" and resid 28   and name HD2%)
   (( segid "PX05" and resid 103  and name HH2 ))
      3.000     3.000     3.000 peak  1217 spectrum    2 weight  0.11000E+01 volume  0.95842E-03 ppm1      0.866 ppm2      6.870 CV     1
 ASSI { 1218}
   (  segid "PX14" and resid 28   and name HD2%)
   (( segid "PX05" and resid 103  and name HZ2 ))
      3.200     3.200     2.800 peak  1218 spectrum    2 weight  0.11000E+01 volume  0.57136E-03 ppm1      0.879 ppm2      7.340 CV     1
 ASSI { 1219}
   (( segid "PX14" and resid 36   and name HG  ))
   (  segid "PX14" and resid 35   and name HE% )
      4.500     4.500     1.500 peak  1219 spectrum    2 weight  0.11000E+01 volume  0.19576E-03 ppm1      2.034 ppm2      6.600 CV     1
 ASSI { 1221}
   (  segid "PX14" and resid 36   and name HD1%)
   (  segid "PX14" and resid 67   and name HE% )
      3.800     3.800     2.200 peak  1221 spectrum    2 weight  0.11000E+01 volume  0.50683E-03 ppm1      0.528 ppm2      7.053 CV     1
 ASSI { 1222}
   (  segid "PX14" and resid 36   and name HD1%)
   (  segid "PX14" and resid 35   and name HD% )
      2.900     2.900     3.100 peak  1222 spectrum    2 weight  0.11000E+01 volume  0.25446E-02 ppm1      0.529 ppm2      7.227 CV     1
 ASSI { 1223}
   (  segid "PX14" and resid 36   and name HD1%)
   (  segid "PX14" and resid 35   and name HE% )
      3.200     3.200     2.800 peak  1223 spectrum    2 weight  0.11000E+01 volume  0.18809E-02 ppm1      0.513 ppm2      6.608 CV     1
 ASSI { 1224}
   (  segid "PX14" and resid 36   and name HD1%)
   (  segid "PX14" and resid 41   and name HG2%)
      3.100     3.100     2.900 peak  1224 spectrum    2 weight  0.11000E+01 volume  0.31382E-02 ppm1      0.538 ppm2     -0.379 CV     1
 ASSI { 1225}
   (  segid "PX14" and resid 63   and name HD1%)
   (( segid "PX14" and resid 67   and name HZ  ))
      5.300     5.300     0.700 peak  1225 spectrum    2 weight  0.11000E+01 volume  0.12553E-03 ppm1      0.784 ppm2      6.936 CV     1
 ASSI { 1227}
   (  segid "PX14" and resid 48   and name HG2%)
   (( segid "PX14" and resid 44   and name HB2 ))
      5.300     5.300     0.700 peak  1227 spectrum    2 weight  0.11000E+01 volume  0.14282E-03 ppm1      1.373 ppm2      4.059 CV     1
 ASSI { 1230}
   (( segid "PX14" and resid 65   and name HG2 ))
   (( segid "PX14" and resid 65   and name HA  ))
      3.400     3.400     2.600 peak  1230 spectrum    2 weight  0.11000E+01 volume  0.10242E-02 ppm1      2.477 ppm2      4.093 CV     1
 ASSI { 1231}
   (( segid "PX14" and resid 65   and name HG2 ))
   (( segid "PX14" and resid 65   and name HB1 ))
      3.200     3.200     2.800 peak  1231 spectrum    2 weight  0.11000E+01 volume  0.11154E-02 ppm1      2.475 ppm2      2.154 CV     1
 ASSI { 1235}
   (( segid "PX14" and resid 78   and name HB2 ))
   (( segid "PX14" and resid 78   and name HB1 ))
      2.200     0.600     0.600 peak  1235 spectrum    2 weight  0.11000E+01 volume  0.60969E-02 ppm1      3.621 ppm2      3.745 CV     1
 ASSI { 1238}
   (( segid "PX14" and resid 53   and name HA  ))
   (( segid "PX14" and resid 56   and name HB2 ))
      4.000     4.000     2.000 peak  1238 spectrum    2 weight  0.11000E+01 volume  0.20375E-03 ppm1      3.452 ppm2      1.080 CV     1
 ASSI { 1239}
   (( segid "PX14" and resid 66   and name HA  ))
   (( segid "PX14" and resid 69   and name HB1 ))
      4.600     4.600     1.400 peak  1239 spectrum    2 weight  0.11000E+01 volume  0.43278E-03 ppm1      3.867 ppm2      2.078 CV     1
 ASSI { 1242}
   (  segid "PX14" and resid 31   and name HG2%)
   (( segid "PX05" and resid 103  and name HE3 ))
      5.000     5.000     1.000 peak  1242 spectrum    2 weight  0.11000E+01 volume  0.10895E-03 ppm1     -0.127 ppm2      6.638 CV     1
 ASSI { 1243}
   (  segid "PX14" and resid 31   and name HG2%)
   (( segid "PX05" and resid 103  and name HH2 ))
      6.000     6.000     0.000 peak  1243 spectrum    2 weight  0.11000E+01 volume  0.30425E-04 ppm1     -0.116 ppm2      6.862 CV     1
 ASSI { 1244}
   (  segid "PX14" and resid 31   and name HG2%)
   (( segid "PX05" and resid 103  and name HZ2 ))
      4.600     4.600     1.400 peak  1244 spectrum    2 weight  0.11000E+01 volume  0.17638E-03 ppm1     -0.119 ppm2      7.336 CV     1
 ASSI { 1245}
   (  segid "PX14" and resid 31   and name HG2%)
   (  segid "PX05" and resid 99   and name HD2%)
      3.000     3.000     3.000 peak  1245 spectrum    2 weight  0.11000E+01 volume  0.27517E-02 ppm1     -0.120 ppm2      0.737 CV     1
 ASSI { 1247}
   (( segid "PX14" and resid 67   and name HA  ))
   (( segid "PX14" and resid 70   and name HB1 ))
      3.100     3.100     2.900 peak  1247 spectrum    2 weight  0.11000E+01 volume  0.16909E-02 ppm1      3.909 ppm2      4.070 CV     1
 ASSI { 1248}
   (( segid "PX14" and resid 59   and name HB  ))
   (  segid "PX14" and resid 59   and name HG2%)
      2.700     2.700     3.300 peak  1248 spectrum    2 weight  0.11000E+01 volume  0.31455E-02 ppm1      4.640 ppm2      1.216 CV     1
 ASSI { 1249}
   (( segid "PX14" and resid 29   and name HA  ))
   (  segid "PX14" and resid 32   and name HB% )
      2.600     2.600     3.400 peak  1249 spectrum    2 weight  0.11000E+01 volume  0.42136E-02 ppm1      3.365 ppm2      1.601 CV     1
 ASSI { 1253}
   (  segid "PX14" and resid 22   and name HG1%)
   (( segid "PX14" and resid 24   and name HD2 ))
      4.600     4.600     1.400 peak  1253 spectrum    2 weight  0.11000E+01 volume  0.40812E-03 ppm1      0.857 ppm2      3.604 CV     1
 ASSI { 1255}
   (  segid "PX14" and resid 23   and name HD1%)
   (( segid "PX14" and resid 23   and name HA  ))
      3.300     3.300     2.700 peak  1255 spectrum    2 weight  0.11000E+01 volume  0.12371E-02 ppm1      0.853 ppm2      4.613 CV     1
 ASSI { 1259}
   (( segid "PX14" and resid 54   and name HG1 ))
   (( segid "PX14" and resid 54   and name HD1 ))
      2.500     2.500     3.500 peak  1259 spectrum    2 weight  0.11000E+01 volume  0.77586E-02 ppm1      1.419 ppm2      1.630 CV     1
 ASSI { 1261}
   (( segid "PX14" and resid 29   and name HG12))
   (( segid "PX14" and resid 65   and name HB1 ))
      4.900     4.900     1.100 peak  1261 spectrum    2 weight  0.11000E+01 volume  0.11799E-03 ppm1      1.022 ppm2      2.153 CV     1
 ASSI { 1263}
   (  segid "PX14" and resid 22   and name HG1%)
   (( segid "PX14" and resid 20   and name HB2 ))
      3.500     3.500     2.500 peak  1263 spectrum    2 weight  0.11000E+01 volume  0.38856E-03 ppm1      0.845 ppm2      1.839 CV     1
 ASSI { 1267}
   (  segid "PX14" and resid 58   and name HD1%)
   (  segid "PX14" and resid 28   and name HD1%)
      3.100     3.100     2.900 peak  1267 spectrum    2 weight  0.11000E+01 volume  0.68710E-03 ppm1      0.682 ppm2      0.999 CV     1
 ASSI { 1272}
   (  segid "PX14" and resid 53   and name HD2%)
   (( segid "PX05" and resid 103  and name HZ3 ))
      5.000     5.000     1.000 peak  1272 spectrum    2 weight  0.11000E+01 volume  0.69092E-04 ppm1      0.906 ppm2      6.362 CV     1
 ASSI { 1274}
   (  segid "PX14" and resid 53   and name HD2%)
   (( segid "PX05" and resid 103  and name HH2 ))
      5.600     5.600     0.400 peak  1274 spectrum    2 weight  0.11000E+01 volume  0.85651E-04 ppm1      0.937 ppm2      6.863 CV     1
 ASSI { 1275}
   (  segid "PX14" and resid 41   and name HG1%)
   (( segid "PX05" and resid 104  and name HA  ))
      3.600     3.600     2.400 peak  1275 spectrum    2 weight  0.11000E+01 volume  0.88281E-03 ppm1      0.460 ppm2      4.105 CV     1
 ASSI { 1279}
   (  segid "PX14" and resid 63   and name HG2%)
   (( segid "PX14" and resid 54   and name HB1 ))
      3.100     3.100     2.900 peak  1279 spectrum    2 weight  0.11000E+01 volume  0.74567E-03 ppm1      0.620 ppm2      1.785 CV     1
 ASSI { 1280}
   (  segid "PX14" and resid 41   and name HG1%)
   (  segid "PX05" and resid 104  and name HB% )
      3.400     3.400     2.600 peak  1280 spectrum    2 weight  0.11000E+01 volume  0.12602E-02 ppm1      0.460 ppm2      1.567 CV     1
 ASSI { 1284}
   (  segid "PX14" and resid 31   and name HG2%)
   (( segid "PX05" and resid 100  and name HA  ))
      3.600     3.600     2.400 peak  1284 spectrum    2 weight  0.11000E+01 volume  0.71212E-03 ppm1     -0.115 ppm2      3.580 CV     1
 ASSI { 1288}
   (  segid "PX14" and resid 46   and name HD1%)
   (( segid "PX14" and resid 75   and name HB2 ))
      4.300     4.300     1.700 peak  1288 spectrum    2 weight  0.11000E+01 volume  0.10540E-03 ppm1      0.651 ppm2      2.506 CV     1
 ASSI { 1289}
   (( segid "PX14" and resid 34   and name HA  ))
   (  segid "PX14" and resid 33   and name HG2%)
      4.200     4.200     1.800 peak  1289 spectrum    2 weight  0.11000E+01 volume  0.32138E-03 ppm1      3.992 ppm2      0.646 CV     1
 ASSI {    1}
   (  segid "PX05" and resid 107  and name HD% )
   (( segid "PX14" and resid 35   and name HZ  ))
      2.900     2.900     3.100 peak     1 spectrum    3 weight  0.11000E+01 volume  0.19007E-02 ppm1      6.745 ppm2      5.603 CV     1
 ASSI {    2}
   (  segid "PX14" and resid 35   and name HE% )
   (( segid "PX14" and resid 35   and name HZ  ))
      2.100     2.100     3.900 peak     2 spectrum    3 weight  0.11000E+01 volume  0.11228E-01 ppm1      6.588 ppm2      5.599 CV     1
 ASSI {    4}
   (  segid "PX14" and resid 67   and name HD% )
   (  segid "PX14" and resid 67   and name HE% )
      1.900     1.900     4.100 peak     4 spectrum    3 weight  0.11000E+01 volume  0.20056E-01 ppm1      7.235 ppm2      7.049 CV     1
 ASSI {    7}
   (( segid "PX14" and resid 67   and name HZ  ))
   (  segid "PX14" and resid 67   and name HE% )
      2.400     2.400     3.600 peak     7 spectrum    3 weight  0.11000E+01 volume  0.54325E-02 ppm1      6.914 ppm2      7.046 CV     1
 ASSI {    8}
   (  segid "PX14" and resid 35   and name HD% )
   (  segid "PX14" and resid 35   and name HE% )
      2.200     2.200     3.800 peak     8 spectrum    3 weight  0.11000E+01 volume  0.84685E-02 ppm1      7.190 ppm2      6.609 CV     1
 ASSI {   14}
   (( segid "PX05" and resid 103  and name HH2 ))
   (( segid "PX05" and resid 103  and name HE3 ))
      3.800     3.800     2.200 peak    14 spectrum    3 weight  0.11000E+01 volume  0.12151E-02 ppm1      6.846 ppm2      6.639 CV     1
 ASSI {   15}
   (( segid "PX05" and resid 103  and name HZ2 ))
   (( segid "PX05" and resid 103  and name HZ3 ))
      4.000     4.000     2.000 peak    15 spectrum    3 weight  0.11000E+01 volume  0.10230E-02 ppm1      7.314 ppm2      6.360 CV     1
 ASSI {   19}
   (  segid "PX05" and resid 107  and name HD% )
   (  segid "PX14" and resid 52   and name HE% )
      3.900     3.900     2.100 peak    19 spectrum    3 weight  0.11000E+01 volume  0.56629E-03 ppm1      6.747 ppm2      6.908 CV     1
 ASSI {   20}
   (( segid "PX05" and resid 103  and name HZ3 ))
   (  segid "PX14" and resid 35   and name HD% )
      3.800     3.800     2.200 peak    20 spectrum    3 weight  0.11000E+01 volume  0.72447E-03 ppm1      6.340 ppm2      7.213 CV     1
 ASSI {   28}
   (  segid "PX14" and resid 35   and name HD% )
   (( segid "PX05" and resid 103  and name HB1 ))
      2.100     2.100     3.900 peak    28 spectrum    3 weight  0.11000E+01 volume  0.12244E-01 ppm1      7.192 ppm2      3.389 CV     1
 ASSI {   29}
   (  segid "PX14" and resid 35   and name HD% )
   (( segid "PX05" and resid 103  and name HB2 ))
      2.500     2.500     3.500 peak    29 spectrum    3 weight  0.11000E+01 volume  0.47641E-02 ppm1      7.180 ppm2      2.983 CV     1
 ASSI {   33}
   (( segid "PX05" and resid 96   and name HA  ))
   (( segid "PX05" and resid 96   and name HB2 ))
      3.200     3.200     2.800 peak    33 spectrum    3 weight  0.11000E+01 volume  0.16975E-02 ppm1      4.448 ppm2      2.462 CV     1
 ASSI {   34}
   (( segid "PX05" and resid 96   and name HA  ))
   (( segid "PX05" and resid 96   and name HB1 ))
      3.300     3.300     2.700 peak    34 spectrum    3 weight  0.11000E+01 volume  0.12128E-02 ppm1      4.448 ppm2      2.674 CV     1
 ASSI {   37}
   (  segid "PX05" and resid 107  and name HD% )
   (  segid "PX05" and resid 108  and name HD2%)
      2.500     2.500     3.500 peak    37 spectrum    3 weight  0.11000E+01 volume  0.45754E-02 ppm1      6.747 ppm2      0.744 CV     1
 ASSI {   39}
   (  segid "PX05" and resid 107  and name HE% )
   (  segid "PX05" and resid 108  and name HD2%)
      2.800     2.800     3.200 peak    39 spectrum    3 weight  0.11000E+01 volume  0.28255E-02 ppm1      7.234 ppm2      0.736 CV     1
 ASSI {   40}
   (  segid "PX14" and resid 35   and name HE% )
   (  segid "PX05" and resid 107  and name HD% )
      3.200     3.200     2.800 peak    40 spectrum    3 weight  0.11000E+01 volume  0.36190E-02 ppm1      6.590 ppm2      6.770 CV     1
 ASSI {   53}
   (  segid "PX05" and resid 107  and name HD% )
   (( segid "PX05" and resid 107  and name HA  ))
      2.600     2.600     3.400 peak    53 spectrum    3 weight  0.11000E+01 volume  0.46335E-02 ppm1      6.744 ppm2      3.788 CV     1
 ASSI {   54}
   (  segid "PX14" and resid 35   and name HE% )
   (( segid "PX05" and resid 107  and name HB1 ))
      3.000     3.000     3.000 peak    54 spectrum    3 weight  0.11000E+01 volume  0.53044E-02 ppm1      6.588 ppm2      2.885 CV     1
 ASSI {   55}
   (  segid "PX14" and resid 35   and name HE% )
   (( segid "PX14" and resid 52   and name HA  ))
      2.900     2.900     3.100 peak    55 spectrum    3 weight  0.11000E+01 volume  0.75164E-02 ppm1      6.589 ppm2      4.101 CV     1
 ASSI {   56}
   (  segid "PX14" and resid 35   and name HD% )
   (( segid "PX05" and resid 104  and name HA  ))
      2.700     2.700     3.300 peak    56 spectrum    3 weight  0.11000E+01 volume  0.80713E-02 ppm1      7.197 ppm2      4.100 CV     1
 ASSI {   57}
   (( segid "PX14" and resid 52   and name HZ  ))
   (( segid "PX14" and resid 56   and name HG2 ))
      5.600     5.600     0.400 peak    57 spectrum    3 weight  0.11000E+01 volume  0.15390E-03 ppm1      7.176 ppm2     -1.177 CV     1
 ASSI {   64}
   (  segid "PX14" and resid 35   and name HD% )
   (  segid "PX05" and resid 104  and name HB% )
      2.700     2.700     3.300 peak    64 spectrum    3 weight  0.11000E+01 volume  0.49003E-02 ppm1      7.192 ppm2      1.571 CV     1
 ASSI {   65}
   (  segid "PX14" and resid 67   and name HD% )
   (( segid "PX14" and resid 67   and name HB2 ))
      2.400     2.400     3.600 peak    65 spectrum    3 weight  0.11000E+01 volume  0.50031E-02 ppm1      7.233 ppm2      3.008 CV     1
 ASSI {   69}
   (  segid "PX14" and resid 35   and name HE% )
   (( segid "PX05" and resid 107  and name HB2 ))
      2.300     2.300     3.700 peak    69 spectrum    3 weight  0.11000E+01 volume  0.78036E-02 ppm1      6.588 ppm2      2.102 CV     1
 ASSI {   74}
   (  segid "PX14" and resid 35   and name HD% )
   (  segid "PX14" and resid 36   and name HD2%)
      3.200     3.200     2.800 peak    74 spectrum    3 weight  0.11000E+01 volume  0.12723E-02 ppm1      7.195 ppm2      0.175 CV     1
 ASSI {   80}
   (( segid "PX05" and resid 103  and name HZ2 ))
   (  segid "PX05" and resid 99   and name HD2%)
      2.400     2.400     3.600 peak    80 spectrum    3 weight  0.11000E+01 volume  0.37665E-02 ppm1      7.317 ppm2      0.736 CV     1
 ASSI {   92}
   (  segid "PX14" and resid 35   and name HD% )
   (  segid "PX14" and resid 41   and name HG1%)
      3.100     3.100     2.900 peak    92 spectrum    3 weight  0.11000E+01 volume  0.19827E-02 ppm1      7.195 ppm2      0.488 CV     1
 ASSI {   93}
   (  segid "PX14" and resid 67   and name HD% )
   (  segid "PX14" and resid 36   and name HD1%)
      2.900     2.900     3.100 peak    93 spectrum    3 weight  0.11000E+01 volume  0.20310E-02 ppm1      7.231 ppm2      0.555 CV     1
 ASSI {   94}
   (  segid "PX14" and resid 67   and name HE% )
   (( segid "PX14" and resid 67   and name HA  ))
      4.800     4.800     1.200 peak    94 spectrum    3 weight  0.11000E+01 volume  0.36067E-03 ppm1      7.031 ppm2      3.949 CV     1
 ASSI {   95}
   (( segid "PX14" and resid 56   and name HG2 ))
   (( segid "PX14" and resid 56   and name HG1 ))
      1.900     1.900     4.100 peak    95 spectrum    3 weight  0.11000E+01 volume  0.10095E-01 ppm1     -1.196 ppm2     -0.096 CV     1
 ASSI {   97}
   (( segid "PX14" and resid 56   and name HG2 ))
   (( segid "PX14" and resid 56   and name HD2 ))
      3.000     3.000     3.000 peak    97 spectrum    3 weight  0.11000E+01 volume  0.17635E-02 ppm1     -1.193 ppm2      0.620 CV     1
 ASSI {   98}
   (( segid "PX14" and resid 56   and name HG2 ))
   (( segid "PX14" and resid 56   and name HD1 ))
      3.100     3.100     2.900 peak    98 spectrum    3 weight  0.11000E+01 volume  0.17372E-02 ppm1     -1.190 ppm2      0.803 CV     1
 ASSI {  100}
   (( segid "PX14" and resid 56   and name HG2 ))
   (( segid "PX14" and resid 56   and name HE2 ))
      2.600     2.600     3.400 peak   100 spectrum    3 weight  0.11000E+01 volume  0.37653E-02 ppm1     -1.195 ppm2      1.230 CV     1
 ASSI {  103}
   (( segid "PX14" and resid 56   and name HG2 ))
   (( segid "PX14" and resid 56   and name HA  ))
      3.300     3.300     2.700 peak   103 spectrum    3 weight  0.11000E+01 volume  0.23897E-02 ppm1     -1.191 ppm2      3.779 CV     1
 ASSI {  107}
   (( segid "PX14" and resid 56   and name HG1 ))
   (( segid "PX14" and resid 56   and name HD2 ))
      2.500     2.500     3.500 peak   107 spectrum    3 weight  0.11000E+01 volume  0.34954E-02 ppm1     -0.118 ppm2      0.623 CV     1
 ASSI {  108}
   (( segid "PX14" and resid 56   and name HG1 ))
   (( segid "PX14" and resid 56   and name HD1 ))
      2.700     2.700     3.300 peak   108 spectrum    3 weight  0.11000E+01 volume  0.29073E-02 ppm1     -0.118 ppm2      0.807 CV     1
 ASSI {  134}
   (( segid "PX14" and resid 56   and name HB2 ))
   (( segid "PX14" and resid 56   and name HG2 ))
      2.400     2.400     3.600 peak   134 spectrum    3 weight  0.11000E+01 volume  0.42451E-02 ppm1      1.067 ppm2     -1.173 CV     1
 ASSI {  136}
   (( segid "PX14" and resid 56   and name HG1 ))
   (( segid "PX14" and resid 56   and name HE2 ))
      2.900     2.900     3.100 peak   136 spectrum    3 weight  0.11000E+01 volume  0.52569E-02 ppm1     -0.116 ppm2      1.226 CV     1
 ASSI {  138}
   (( segid "PX14" and resid 80   and name HB1 ))
   (( segid "PX14" and resid 80   and name HA  ))
      2.300     2.300     3.700 peak   138 spectrum    3 weight  0.11000E+01 volume  0.83356E-02 ppm1      1.298 ppm2      4.214 CV     1
 ASSI {  140}
   (( segid "PX14" and resid 35   and name HZ  ))
   (( segid "PX14" and resid 52   and name HB1 ))
      4.300     4.300     1.700 peak   140 spectrum    3 weight  0.11000E+01 volume  0.22292E-03 ppm1      5.580 ppm2      3.501 CV     1
 ASSI {  141}
   (( segid "PX14" and resid 35   and name HZ  ))
   (( segid "PX14" and resid 52   and name HB2 ))
      3.900     3.900     2.100 peak   141 spectrum    3 weight  0.11000E+01 volume  0.57687E-03 ppm1      5.582 ppm2      3.013 CV     1
 ASSI {  157}
   (( segid "PX14" and resid 64   and name HB1 ))
   (( segid "PX14" and resid 64   and name HA  ))
      3.700     3.700     2.300 peak   157 spectrum    3 weight  0.11000E+01 volume  0.82216E-03 ppm1      2.818 ppm2      4.409 CV     1
 ASSI {  166}
   (( segid "PX14" and resid 36   and name HB2 ))
   (( segid "PX14" and resid 36   and name HB1 ))
      1.900     1.900     4.100 peak   166 spectrum    3 weight  0.11000E+01 volume  0.93669E-02 ppm1      1.204 ppm2      1.815 CV     1
 ASSI {  168}
   (( segid "PX14" and resid 36   and name HB2 ))
   (( segid "PX14" and resid 36   and name HA  ))
      3.300     3.300     2.700 peak   168 spectrum    3 weight  0.11000E+01 volume  0.16365E-02 ppm1      1.205 ppm2      3.402 CV     1
 ASSI {  169}
   (( segid "PX14" and resid 53   and name HB1 ))
   (( segid "PX14" and resid 53   and name HG  ))
      2.900     1.000     1.000 peak   169 spectrum    3 weight  0.11000E+01 volume  0.29098E-02 ppm1      1.982 ppm2      1.221 CV     1
 ASSI {  171}
   (( segid "PX14" and resid 53   and name HB2 ))
   (( segid "PX14" and resid 53   and name HA  ))
      3.300     3.300     2.700 peak   171 spectrum    3 weight  0.11000E+01 volume  0.14321E-02 ppm1      1.203 ppm2      3.472 CV     1
 OR {  171}
   (( segid "PX14" and resid 53   and name HB2 ))
   (( segid "PX14" and resid 53   and name HA  ))
 ASSI {  176}
   (( segid "PX14" and resid 54   and name HE1 ))
   (( segid "PX14" and resid 54   and name HA  ))
      4.800     4.800     1.200 peak   176 spectrum    3 weight  0.11000E+01 volume  0.30828E-03 ppm1      2.848 ppm2      4.152 CV     1
 ASSI {  177}
   (( segid "PX14" and resid 75   and name HB1 ))
   (( segid "PX14" and resid 75   and name HB2 ))
      2.100     2.100     3.900 peak   177 spectrum    3 weight  0.11000E+01 volume  0.92662E-02 ppm1      2.618 ppm2      2.548 CV     1
 ASSI {  187}
   (( segid "PX14" and resid 50   and name HD2 ))
   (( segid "PX14" and resid 50   and name HD1 ))
      1.700     1.700     4.300 peak   187 spectrum    3 weight  0.11000E+01 volume  0.21909E-01 ppm1      3.033 ppm2      3.144 CV     1
 ASSI {  188}
   (( segid "PX14" and resid 25   and name HD1 ))
   (( segid "PX14" and resid 25   and name HA  ))
      3.900     3.900     2.100 peak   188 spectrum    3 weight  0.11000E+01 volume  0.42320E-03 ppm1      3.240 ppm2      4.345 CV     1
 ASSI {  192}
   (( segid "PX14" and resid 50   and name HD1 ))
   (( segid "PX14" and resid 50   and name HA  ))
      5.100     5.100     0.900 peak   192 spectrum    3 weight  0.11000E+01 volume  0.31202E-03 ppm1      3.121 ppm2      3.890 CV     1
 ASSI {  193}
   (( segid "PX14" and resid 50   and name HD2 ))
   (( segid "PX14" and resid 50   and name HA  ))
      5.100     5.100     0.900 peak   193 spectrum    3 weight  0.11000E+01 volume  0.26496E-03 ppm1      3.038 ppm2      3.890 CV     1
 ASSI {  196}
   (( segid "PX14" and resid 50   and name HD1 ))
   (  segid "PX14" and resid 46   and name HD1%)
      4.800     4.800     1.200 peak   196 spectrum    3 weight  0.11000E+01 volume  0.15935E-03 ppm1      3.125 ppm2      0.679 CV     1
 ASSI {  198}
   (( segid "PX14" and resid 50   and name HD2 ))
   (  segid "PX14" and resid 46   and name HD2%)
      4.000     4.000     2.000 peak   198 spectrum    3 weight  0.11000E+01 volume  0.17506E-03 ppm1      3.039 ppm2      0.608 CV     1
 ASSI {  199}
   (( segid "PX14" and resid 50   and name HD2 ))
   (  segid "PX14" and resid 46   and name HD1%)
      4.000     4.000     2.000 peak   199 spectrum    3 weight  0.11000E+01 volume  0.30600E-03 ppm1      3.037 ppm2      0.678 CV     1
 ASSI {  201}
   (( segid "PX14" and resid 50   and name HD1 ))
   (( segid "PX14" and resid 50   and name HB2 ))
      2.800     2.800     3.200 peak   201 spectrum    3 weight  0.11000E+01 volume  0.26972E-02 ppm1      3.122 ppm2      1.706 CV     1
 ASSI {  203}
   (( segid "PX14" and resid 50   and name HD2 ))
   (( segid "PX14" and resid 50   and name HG1 ))
      2.700     2.700     3.300 peak   203 spectrum    3 weight  0.11000E+01 volume  0.29669E-02 ppm1      3.038 ppm2      1.479 CV     1
 ASSI {  204}
   (( segid "PX14" and resid 50   and name HD2 ))
   (( segid "PX14" and resid 50   and name HB2 ))
      2.900     2.900     3.100 peak   204 spectrum    3 weight  0.11000E+01 volume  0.30496E-02 ppm1      3.037 ppm2      1.707 CV     1
 ASSI {  205}
   (( segid "PX14" and resid 50   and name HD2 ))
   (( segid "PX14" and resid 50   and name HB1 ))
      2.500     2.500     3.500 peak   205 spectrum    3 weight  0.11000E+01 volume  0.68837E-02 ppm1      3.035 ppm2      1.861 CV     1
 ASSI {  213}
   (( segid "PX14" and resid 40   and name HD1 ))
   (( segid "PX14" and resid 40   and name HA  ))
      4.600     4.600     1.400 peak   213 spectrum    3 weight  0.11000E+01 volume  0.53170E-03 ppm1      3.185 ppm2      4.199 CV     1
 ASSI {  214}
   (( segid "PX14" and resid 40   and name HD2 ))
   (( segid "PX14" and resid 40   and name HA  ))
      5.800     5.800     0.200 peak   214 spectrum    3 weight  0.11000E+01 volume  0.14312E-03 ppm1      3.118 ppm2      4.198 CV     1
 ASSI {  215}
   (( segid "PX14" and resid 40   and name HD1 ))
   (( segid "PX14" and resid 40   and name HD2 ))
      1.900     1.900     4.100 peak   215 spectrum    3 weight  0.11000E+01 volume  0.11601E-01 ppm1      3.183 ppm2      3.141 CV     1
 ASSI {  218}
   (( segid "PX14" and resid 40   and name HD1 ))
   (( segid "PX14" and resid 40   and name HG1 ))
      3.300     3.300     2.700 peak   218 spectrum    3 weight  0.11000E+01 volume  0.10385E-02 ppm1      3.184 ppm2      1.764 CV     1
 ASSI {  219}
   (( segid "PX14" and resid 40   and name HD2 ))
   (( segid "PX14" and resid 40   and name HG1 ))
      2.900     2.900     3.100 peak   219 spectrum    3 weight  0.11000E+01 volume  0.18180E-02 ppm1      3.118 ppm2      1.764 CV     1
 ASSI {  221}
   (( segid "PX14" and resid 40   and name HD1 ))
   (  segid "PX05" and resid 108  and name HD1%)
      3.700     3.700     2.300 peak   221 spectrum    3 weight  0.11000E+01 volume  0.27503E-03 ppm1      3.183 ppm2      0.798 CV     1
 ASSI {  226}
   (( segid "PX14" and resid 49   and name HD2 ))
   (  segid "PX14" and resid 36   and name HD1%)
      3.200     3.200     2.800 peak   226 spectrum    3 weight  0.11000E+01 volume  0.19293E-02 ppm1      2.656 ppm2      0.556 CV     1
 ASSI {  227}
   (( segid "PX14" and resid 49   and name HD1 ))
   (  segid "PX14" and resid 36   and name HD1%)
      3.600     3.600     2.400 peak   227 spectrum    3 weight  0.11000E+01 volume  0.15060E-02 ppm1      3.230 ppm2      0.558 CV     1
 ASSI {  238}
   (( segid "PX14" and resid 42   and name HD2 ))
   (( segid "PX14" and resid 42   and name HG2 ))
      2.800     2.800     3.200 peak   238 spectrum    3 weight  0.11000E+01 volume  0.27732E-02 ppm1      2.974 ppm2      1.636 CV     1
 ASSI {  240}
   (( segid "PX14" and resid 42   and name HD2 ))
   (( segid "PX14" and resid 42   and name HG1 ))
      2.700     2.700     3.300 peak   240 spectrum    3 weight  0.11000E+01 volume  0.26317E-02 ppm1      2.975 ppm2      1.716 CV     1
 ASSI {  242}
   (( segid "PX14" and resid 42   and name HD1 ))
   (( segid "PX14" and resid 42   and name HB2 ))
      3.000     3.000     3.000 peak   242 spectrum    3 weight  0.11000E+01 volume  0.19595E-02 ppm1      3.007 ppm2      1.783 CV     1
 ASSI {  243}
   (( segid "PX14" and resid 42   and name HD2 ))
   (( segid "PX14" and resid 42   and name HB2 ))
      3.100     3.100     2.900 peak   243 spectrum    3 weight  0.11000E+01 volume  0.15916E-02 ppm1      2.974 ppm2      1.784 CV     1
 ASSI {  244}
   (( segid "PX14" and resid 42   and name HD2 ))
   (( segid "PX14" and resid 42   and name HB1 ))
      3.700     3.700     2.300 peak   244 spectrum    3 weight  0.11000E+01 volume  0.65138E-03 ppm1      2.974 ppm2      1.886 CV     1
 ASSI {  247}
   (( segid "PX14" and resid 42   and name HD2 ))
   (( segid "PX14" and resid 42   and name HA  ))
      3.800     3.800     2.200 peak   247 spectrum    3 weight  0.11000E+01 volume  0.18154E-02 ppm1      2.973 ppm2      3.800 CV     1
 ASSI {  248}
   (( segid "PX14" and resid 57   and name HA2 ))
   (( segid "PX14" and resid 57   and name HA1 ))
      1.900     1.900     4.100 peak   248 spectrum    3 weight  0.11000E+01 volume  0.14261E-01 ppm1      3.534 ppm2      4.183 CV     1
 ASSI {  254}
   (( segid "PX14" and resid 24   and name HD1 ))
   (( segid "PX14" and resid 24   and name HD2 ))
      1.900     1.900     4.100 peak   254 spectrum    3 weight  0.11000E+01 volume  0.11360E-01 ppm1      3.878 ppm2      3.581 CV     1
 ASSI {  264}
   (( segid "PX14" and resid 24   and name HD2 ))
   (( segid "PX14" and resid 24   and name HG1 ))
      3.100     3.100     2.900 peak   264 spectrum    3 weight  0.11000E+01 volume  0.32459E-02 ppm1      3.557 ppm2      2.017 CV     1
 ASSI {  265}
   (( segid "PX14" and resid 24   and name HD1 ))
   (( segid "PX14" and resid 24   and name HG1 ))
      2.200     2.200     3.800 peak   265 spectrum    3 weight  0.11000E+01 volume  0.68576E-02 ppm1      3.880 ppm2      2.015 CV     1
 ASSI {  266}
   (( segid "PX14" and resid 27   and name HD1 ))
   (( segid "PX14" and resid 27   and name HB2 ))
      2.800     2.800     3.200 peak   266 spectrum    3 weight  0.11000E+01 volume  0.80612E-02 ppm1      3.805 ppm2      1.787 CV     1
 ASSI {  270}
   (( segid "PX14" and resid 21   and name HA  ))
   (( segid "PX14" and resid 21   and name HB2 ))
      2.900     2.900     3.100 peak   270 spectrum    3 weight  0.11000E+01 volume  0.27789E-02 ppm1      4.648 ppm2      2.656 CV     1
 ASSI {  287}
   (( segid "PX14" and resid 43   and name HA  ))
   (( segid "PX14" and resid 43   and name HB2 ))
      2.700     2.700     3.300 peak   287 spectrum    3 weight  0.11000E+01 volume  0.50540E-02 ppm1      4.249 ppm2      2.015 CV     1
 ASSI {  291}
   (( segid "PX14" and resid 32   and name HA  ))
   (( segid "PX14" and resid 35   and name HB2 ))
      4.500     4.500     1.500 peak   291 spectrum    3 weight  0.11000E+01 volume  0.30963E-03 ppm1      4.194 ppm2      3.372 CV     1
 ASSI {  302}
   (( segid "PX14" and resid 53   and name HA  ))
   (( segid "PX14" and resid 56   and name HE2 ))
      2.900     2.900     3.100 peak   302 spectrum    3 weight  0.11000E+01 volume  0.29209E-02 ppm1      3.445 ppm2      1.225 CV     1
 ASSI {  360}
   (( segid "PX14" and resid 70   and name HB1 ))
   (( segid "PX14" and resid 70   and name HB2 ))
      1.900     1.900     4.100 peak   360 spectrum    3 weight  0.11000E+01 volume  0.10011E-01 ppm1      4.070 ppm2      3.855 CV     1
 ASSI {  365}
   (( segid "PX05" and resid 101  and name HA  ))
   (  segid "PX05" and resid 104  and name HB% )
      2.300     2.300     3.700 peak   365 spectrum    3 weight  0.11000E+01 volume  0.11747E-01 ppm1      4.238 ppm2      1.557 CV     1
 ASSI {  424}
   (  segid "PX14" and resid 72   and name HG2%)
   (( segid "PX14" and resid 42   and name HD2 ))
      3.500     3.500     2.500 peak   424 spectrum    3 weight  0.11000E+01 volume  0.95769E-03 ppm1      0.893 ppm2      3.003 CV     1
 ASSI {  433}
   (  segid "PX14" and resid 36   and name HD1%)
   (( segid "PX14" and resid 67   and name HZ  ))
      3.900     3.900     2.100 peak   433 spectrum    3 weight  0.11000E+01 volume  0.64969E-03 ppm1      0.533 ppm2      6.938 CV     1
 ASSI {  451}
   (( segid "PX14" and resid 54   and name HG2 ))
   (( segid "PX14" and resid 54   and name HB1 ))
      2.400     2.400     3.600 peak   451 spectrum    3 weight  0.11000E+01 volume  0.55075E-02 ppm1      1.329 ppm2      1.789 CV     1
 ASSI {  453}
   (( segid "PX14" and resid 54   and name HG2 ))
   (( segid "PX14" and resid 54   and name HG1 ))
      1.500     1.500     4.500 peak   453 spectrum    3 weight  0.11000E+01 volume  0.44096E-01 ppm1      1.329 ppm2      1.478 CV     1
 ASSI {  489}
   (( segid "PX14" and resid 49   and name HG2 ))
   (( segid "PX14" and resid 49   and name HB1 ))
      3.600     3.600     2.400 peak   489 spectrum    3 weight  0.11000E+01 volume  0.36876E-03 ppm1      1.174 ppm2      2.399 CV     1
 ASSI {  490}
   (( segid "PX14" and resid 49   and name HG2 ))
   (( segid "PX14" and resid 49   and name HD2 ))
      3.100     3.100     2.900 peak   490 spectrum    3 weight  0.11000E+01 volume  0.94749E-03 ppm1      1.174 ppm2      2.677 CV     1
 ASSI {  496}
   (( segid "PX14" and resid 49   and name HG1 ))
   (( segid "PX14" and resid 49   and name HB2 ))
      2.700     2.700     3.300 peak   496 spectrum    3 weight  0.11000E+01 volume  0.19894E-02 ppm1      1.172 ppm2      1.610 CV     1
 ASSI {  498}
   (( segid "PX14" and resid 37   and name HB2 ))
   (( segid "PX14" and resid 37   and name HG1 ))
      3.000     3.000     3.000 peak   498 spectrum    3 weight  0.11000E+01 volume  0.12421E-02 ppm1      2.025 ppm2      2.723 CV     1
 ASSI {  513}
   (( segid "PX14" and resid 81   and name HB1 ))
   (( segid "PX14" and resid 81   and name HA  ))
      3.600     3.600     2.400 peak   513 spectrum    3 weight  0.11000E+01 volume  0.66680E-03 ppm1      3.249 ppm2      4.464 CV     1
 ASSI {  531}
   (( segid "PX14" and resid 55   and name HB1 ))
   (( segid "PX14" and resid 55   and name HE1 ))
      5.800     5.800     0.200 peak   531 spectrum    3 weight  0.11000E+01 volume  0.13483E-03 ppm1      1.685 ppm2      2.792 CV     1
 ASSI {  536}
   (( segid "PX14" and resid 52   and name HZ  ))
   (( segid "PX05" and resid 103  and name HA  ))
      2.700     2.700     3.300 peak   536 spectrum    3 weight  0.11000E+01 volume  0.27575E-02 ppm1      7.178 ppm2      4.746 CV     1
 ASSI {  537}
   (  segid "PX14" and resid 52   and name HD% )
   (( segid "PX05" and resid 103  and name HA  ))
      4.200     4.200     1.800 peak   537 spectrum    3 weight  0.11000E+01 volume  0.81914E-03 ppm1      6.895 ppm2      4.746 CV     1
 ASSI {  538}
   (  segid "PX14" and resid 52   and name HE% )
   (( segid "PX14" and resid 56   and name HG1 ))
      4.800     4.800     1.200 peak   538 spectrum    3 weight  0.11000E+01 volume  0.44120E-03 ppm1      6.895 ppm2     -0.092 CV     1
 ASSI {  539}
   (  segid "PX14" and resid 52   and name HE% )
   (( segid "PX14" and resid 56   and name HG2 ))
      4.900     4.900     1.100 peak   539 spectrum    3 weight  0.11000E+01 volume  0.19815E-03 ppm1      6.896 ppm2     -1.167 CV     1
 ASSI {  540}
   (( segid "PX14" and resid 56   and name HN  ))
   (( segid "PX14" and resid 56   and name HG1 ))
      4.200     4.200     1.800 peak   540 spectrum    3 weight  0.11000E+01 volume  0.73648E-03 ppm1      6.949 ppm2     -0.093 CV     1
 ASSI {  541}
   (( segid "PX14" and resid 56   and name HN  ))
   (( segid "PX14" and resid 56   and name HG2 ))
      4.200     4.200     1.800 peak   541 spectrum    3 weight  0.11000E+01 volume  0.51309E-03 ppm1      6.949 ppm2     -1.168 CV     1
 ASSI {  542}
   (( segid "PX05" and resid 103  and name HH2 ))
   (( segid "PX14" and resid 56   and name HG2 ))
      4.900     4.900     1.100 peak   542 spectrum    3 weight  0.11000E+01 volume  0.82907E-04 ppm1      6.846 ppm2     -1.169 CV     1
 ASSI {  547}
   (( segid "PX05" and resid 103  and name HE3 ))
   (( segid "PX14" and resid 56   and name HG2 ))
      6.000     6.000     0.000 peak   547 spectrum    3 weight  0.11000E+01 volume  0.27248E-04 ppm1      6.622 ppm2     -1.169 CV     1
 ASSI {  549}
   (( segid "PX05" and resid 103  and name HZ3 ))
   (( segid "PX14" and resid 56   and name HG2 ))
      6.000     6.000     0.000 peak   549 spectrum    3 weight  0.11000E+01 volume  0.20109E-04 ppm1      6.338 ppm2     -1.172 CV     1
 ASSI {  553}
   (  segid "PX05" and resid 107  and name HE% )
   (( segid "PX05" and resid 107  and name HB1 ))
      4.400     4.400     1.600 peak   553 spectrum    3 weight  0.11000E+01 volume  0.60559E-03 ppm1      7.226 ppm2      2.896 CV     1
 ASSI {  556}
   (  segid "PX14" and resid 35   and name HE% )
   (  segid "PX14" and resid 53   and name HD1%)
      3.000     3.000     3.000 peak   556 spectrum    3 weight  0.11000E+01 volume  0.23108E-02 ppm1      6.590 ppm2      0.731 CV     1
 ASSI {  562}
   (  segid "PX05" and resid 107  and name HE% )
   (( segid "PX14" and resid 44   and name HB2 ))
      2.800     2.800     3.200 peak   562 spectrum    3 weight  0.11000E+01 volume  0.40886E-02 ppm1      7.232 ppm2      4.044 CV     1
 ASSI {  564}
   (  segid "PX05" and resid 107  and name HE% )
   (( segid "PX14" and resid 48   and name HB  ))
      3.100     3.100     2.900 peak   564 spectrum    3 weight  0.11000E+01 volume  0.14149E-02 ppm1      7.232 ppm2      4.439 CV     1
 ASSI {  570}
   (  segid "PX14" and resid 67   and name HD% )
   (  segid "PX14" and resid 46   and name HD1%)
      3.800     3.800     2.200 peak   570 spectrum    3 weight  0.11000E+01 volume  0.50720E-03 ppm1      7.234 ppm2      0.678 CV     1
 ASSI {  572}
   (  segid "PX14" and resid 67   and name HE% )
   (  segid "PX14" and resid 46   and name HD1%)
      3.200     3.200     2.800 peak   572 spectrum    3 weight  0.11000E+01 volume  0.13389E-02 ppm1      7.029 ppm2      0.677 CV     1
 ASSI {  573}
   (( segid "PX14" and resid 67   and name HZ  ))
   (  segid "PX14" and resid 46   and name HD1%)
      3.800     3.800     2.200 peak   573 spectrum    3 weight  0.11000E+01 volume  0.51978E-03 ppm1      6.915 ppm2      0.677 CV     1
 ASSI {  575}
   (( segid "PX14" and resid 67   and name HZ  ))
   (  segid "PX14" and resid 36   and name HD2%)
      5.100     5.100     0.900 peak   575 spectrum    3 weight  0.11000E+01 volume  0.15831E-03 ppm1      6.915 ppm2      0.176 CV     1
 ASSI {  576}
   (  segid "PX14" and resid 35   and name HE% )
   (  segid "PX14" and resid 36   and name HD2%)
      4.300     4.300     1.700 peak   576 spectrum    3 weight  0.11000E+01 volume  0.19484E-03 ppm1      6.589 ppm2      0.176 CV     1
 ASSI {  580}
   (  segid "PX05" and resid 107  and name HE% )
   (( segid "PX14" and resid 49   and name HB1 ))
      2.400     2.400     3.600 peak   580 spectrum    3 weight  0.11000E+01 volume  0.36115E-02 ppm1      7.232 ppm2      1.721 CV     1
 ASSI {  583}
   (  segid "PX14" and resid 35   and name HD% )
   (( segid "PX14" and resid 35   and name HZ  ))
      4.100     4.100     1.900 peak   583 spectrum    3 weight  0.11000E+01 volume  0.68723E-03 ppm1      7.196 ppm2      5.605 CV     1
 ASSI {  584}
   (  segid "PX05" and resid 107  and name HE% )
   (( segid "PX14" and resid 35   and name HZ  ))
      3.800     3.800     2.200 peak   584 spectrum    3 weight  0.11000E+01 volume  0.78962E-03 ppm1      7.228 ppm2      5.605 CV     1
 ASSI {  587}
   (( segid "PX14" and resid 56   and name HN  ))
   (( segid "PX14" and resid 56   and name HB2 ))
      3.100     3.100     2.900 peak   587 spectrum    3 weight  0.11000E+01 volume  0.89744E-03 ppm1      6.949 ppm2      1.093 CV     1
 ASSI {  588}
   (( segid "PX14" and resid 56   and name HN  ))
   (( segid "PX14" and resid 56   and name HE2 ))
      3.500     3.500     2.500 peak   588 spectrum    3 weight  0.11000E+01 volume  0.11084E-02 ppm1      6.949 ppm2      1.225 CV     1
 ASSI {  589}
   (( segid "PX05" and resid 103  and name HH2 ))
   (( segid "PX14" and resid 56   and name HE2 ))
      3.700     3.700     2.300 peak   589 spectrum    3 weight  0.11000E+01 volume  0.27106E-03 ppm1      6.847 ppm2      1.228 CV     1
 ASSI {  590}
   (( segid "PX05" and resid 103  and name HH2 ))
   (( segid "PX14" and resid 56   and name HB2 ))
      5.700     5.700     0.300 peak   590 spectrum    3 weight  0.11000E+01 volume  0.79042E-04 ppm1      6.848 ppm2      1.095 CV     1
 ASSI {  593}
   (  segid "PX14" and resid 67   and name HE% )
   (( segid "PX14" and resid 50   and name HB2 ))
      3.600     3.600     2.400 peak   593 spectrum    3 weight  0.11000E+01 volume  0.12943E-02 ppm1      7.028 ppm2      1.707 CV     1
 ASSI {  594}
   (( segid "PX14" and resid 67   and name HZ  ))
   (( segid "PX14" and resid 50   and name HB2 ))
      3.600     3.600     2.400 peak   594 spectrum    3 weight  0.11000E+01 volume  0.11732E-02 ppm1      6.914 ppm2      1.710 CV     1
 ASSI {  595}
   (  segid "PX14" and resid 67   and name HD% )
   (( segid "PX14" and resid 49   and name HB2 ))
      3.400     3.400     2.600 peak   595 spectrum    3 weight  0.11000E+01 volume  0.25521E-02 ppm1      7.231 ppm2      1.615 CV     1
 ASSI {  596}
   (  segid "PX14" and resid 67   and name HE% )
   (  segid "PX14" and resid 66   and name HB% )
      3.400     3.400     2.600 peak   596 spectrum    3 weight  0.11000E+01 volume  0.41896E-03 ppm1      7.028 ppm2      1.306 CV     1
 ASSI {  597}
   (  segid "PX14" and resid 67   and name HE% )
   (( segid "PX14" and resid 50   and name HG1 ))
      3.000     3.000     3.000 peak   597 spectrum    3 weight  0.11000E+01 volume  0.21249E-02 ppm1      7.029 ppm2      1.478 CV     1
 ASSI {  607}
   (  segid "PX14" and resid 53   and name HD1%)
   (( segid "PX14" and resid 56   and name HG1 ))
      3.400     3.400     2.600 peak   607 spectrum    3 weight  0.11000E+01 volume  0.24645E-02 ppm1      0.717 ppm2     -0.089 CV     1
 ASSI {  612}
   (  segid "PX05" and resid 108  and name HD1%)
   (( segid "PX05" and resid 108  and name HG  ))
      2.300     2.300     3.700 peak   612 spectrum    3 weight  0.11000E+01 volume  0.69173E-02 ppm1      0.774 ppm2      1.988 CV     1
 ASSI {  613}
   (  segid "PX05" and resid 108  and name HD2%)
   (( segid "PX05" and resid 108  and name HG  ))
      2.300     2.300     3.700 peak   613 spectrum    3 weight  0.11000E+01 volume  0.69468E-02 ppm1      0.719 ppm2      1.989 CV     1
 ASSI {  614}
   (  segid "PX05" and resid 108  and name HD2%)
   (( segid "PX05" and resid 108  and name HB2 ))
      3.100     3.100     2.900 peak   614 spectrum    3 weight  0.11000E+01 volume  0.52725E-02 ppm1      0.719 ppm2      1.445 CV     1
 ASSI {  615}
   (  segid "PX05" and resid 108  and name HD1%)
   (( segid "PX05" and resid 108  and name HB2 ))
      2.400     2.400     3.600 peak   615 spectrum    3 weight  0.11000E+01 volume  0.80364E-02 ppm1      0.772 ppm2      1.446 CV     1
 ASSI {  616}
   (  segid "PX05" and resid 108  and name HD1%)
   (( segid "PX05" and resid 108  and name HB1 ))
      2.500     2.500     3.500 peak   616 spectrum    3 weight  0.11000E+01 volume  0.62969E-02 ppm1      0.773 ppm2      1.777 CV     1
 ASSI {  618}
   (  segid "PX05" and resid 108  and name HD2%)
   (( segid "PX05" and resid 108  and name HA  ))
      2.400     2.400     3.600 peak   618 spectrum    3 weight  0.11000E+01 volume  0.55865E-02 ppm1      0.719 ppm2      3.924 CV     1
 ASSI {  619}
   (  segid "PX05" and resid 108  and name HD1%)
   (  segid "PX14" and resid 41   and name HG1%)
      2.700     2.700     3.300 peak   619 spectrum    3 weight  0.11000E+01 volume  0.17608E-02 ppm1      0.774 ppm2      0.486 CV     1
 ASSI {  620}
   (  segid "PX05" and resid 108  and name HD2%)
   (  segid "PX14" and resid 41   and name HG1%)
      2.500     2.500     3.500 peak   620 spectrum    3 weight  0.11000E+01 volume  0.24812E-02 ppm1      0.717 ppm2      0.487 CV     1
 ASSI {  624}
   (( segid "PX05" and resid 99   and name HA  ))
   (  segid "PX05" and resid 99   and name HD1%)
      2.200     2.200     3.800 peak   624 spectrum    3 weight  0.11000E+01 volume  0.16415E-01 ppm1      4.014 ppm2      0.906 CV     1
 ASSI {  625}
   (( segid "PX05" and resid 99   and name HA  ))
   (  segid "PX05" and resid 99   and name HD2%)
      3.100     3.100     2.900 peak   625 spectrum    3 weight  0.11000E+01 volume  0.22437E-02 ppm1      4.014 ppm2      0.744 CV     1
 ASSI {  644}
   (  segid "PX14" and resid 48   and name HG2%)
   (  segid "PX05" and resid 107  and name HD% )
      4.600     4.600     1.400 peak   644 spectrum    3 weight  0.11000E+01 volume  0.28421E-03 ppm1      1.378 ppm2      6.769 CV     1
 ASSI {  658}
   (( segid "PX14" and resid 35   and name HB1 ))
   (( segid "PX14" and resid 35   and name HB2 ))
      1.900     1.900     4.100 peak   658 spectrum    3 weight  0.11000E+01 volume  0.83967E-02 ppm1      3.548 ppm2      3.370 CV     1
 ASSI {  670}
   (( segid "PX14" and resid 65   and name HG2 ))
   (( segid "PX14" and resid 65   and name HG1 ))
      1.900     1.900     4.100 peak   670 spectrum    3 weight  0.11000E+01 volume  0.14323E-01 ppm1      2.480 ppm2      2.797 CV     1
 ASSI {  672}
   (  segid "PX05" and resid 110  and name HB% )
   (( segid "PX05" and resid 110  and name HA  ))
      2.500     2.500     3.500 peak   672 spectrum    3 weight  0.11000E+01 volume  0.59644E-02 ppm1      1.337 ppm2      4.214 CV     1
 ASSI {  673}
   (  segid "PX05" and resid 109  and name HB% )
   (( segid "PX05" and resid 109  and name HA  ))
      2.300     2.300     3.700 peak   673 spectrum    3 weight  0.11000E+01 volume  0.91199E-02 ppm1      1.401 ppm2      4.184 CV     1
 ASSI {  674}
   (( segid "PX14" and resid 24   and name HD2 ))
   (( segid "PX14" and resid 24   and name HA  ))
      2.900     2.900     3.100 peak   674 spectrum    3 weight  0.11000E+01 volume  0.40358E-02 ppm1      3.559 ppm2      4.597 CV     1
 ASSI {  675}
   (( segid "PX14" and resid 24   and name HD1 ))
   (( segid "PX14" and resid 24   and name HA  ))
      2.600     2.600     3.400 peak   675 spectrum    3 weight  0.11000E+01 volume  0.56544E-02 ppm1      3.882 ppm2      4.597 CV     1
 ASSI {  682}
   (( segid "PX14" and resid 24   and name HD2 ))
   (( segid "PX14" and resid 24   and name HB1 ))
      4.000     4.000     2.000 peak   682 spectrum    3 weight  0.11000E+01 volume  0.97318E-03 ppm1      3.556 ppm2      1.587 CV     1
 ASSI {  685}
   (( segid "PX05" and resid 102  and name HA  ))
   (( segid "PX05" and resid 102  and name HB2 ))
      2.600     2.600     3.400 peak   685 spectrum    3 weight  0.11000E+01 volume  0.40046E-02 ppm1      4.564 ppm2      2.998 CV     1
 ASSI {  686}
   (( segid "PX05" and resid 102  and name HA  ))
   (( segid "PX05" and resid 102  and name HB1 ))
      2.600     2.600     3.400 peak   686 spectrum    3 weight  0.11000E+01 volume  0.57939E-02 ppm1      4.561 ppm2      3.088 CV     1
 ASSI {  691}
   (( segid "PX05" and resid 102  and name HB1 ))
   (( segid "PX05" and resid 99   and name HA  ))
      3.700     3.700     2.300 peak   691 spectrum    3 weight  0.11000E+01 volume  0.62602E-03 ppm1      3.066 ppm2      4.031 CV     1
 ASSI {  692}
   (( segid "PX05" and resid 102  and name HB2 ))
   (( segid "PX05" and resid 99   and name HA  ))
      3.200     3.200     2.800 peak   692 spectrum    3 weight  0.11000E+01 volume  0.12539E-02 ppm1      2.977 ppm2      4.032 CV     1
 ASSI {  693}
   (( segid "PX14" and resid 67   and name HB2 ))
   (( segid "PX14" and resid 64   and name HA  ))
      4.300     4.300     1.700 peak   693 spectrum    3 weight  0.11000E+01 volume  0.22273E-03 ppm1      2.990 ppm2      4.410 CV     1
 ASSI {  694}
   (( segid "PX14" and resid 67   and name HB1 ))
   (( segid "PX14" and resid 64   and name HA  ))
      4.100     4.100     1.900 peak   694 spectrum    3 weight  0.11000E+01 volume  0.22406E-02 ppm1      3.256 ppm2      4.410 CV     1
 ASSI {  696}
   (( segid "PX05" and resid 103  and name HB1 ))
   (( segid "PX05" and resid 103  and name HB2 ))
      1.900     1.900     4.100 peak   696 spectrum    3 weight  0.11000E+01 volume  0.75835E-02 ppm1      3.385 ppm2      2.970 CV     1
 ASSI {  697}
   (( segid "PX05" and resid 103  and name HA  ))
   (( segid "PX05" and resid 103  and name HB2 ))
      3.600     3.600     2.400 peak   697 spectrum    3 weight  0.11000E+01 volume  0.90213E-03 ppm1      4.726 ppm2      2.970 CV     1
 ASSI {  704}
   (( segid "PX05" and resid 107  and name HB1 ))
   (( segid "PX05" and resid 107  and name HB2 ))
      1.900     1.900     4.100 peak   704 spectrum    3 weight  0.11000E+01 volume  0.75969E-02 ppm1      2.871 ppm2      2.105 CV     1
 ASSI {  705}
   (( segid "PX05" and resid 107  and name HB2 ))
   (( segid "PX05" and resid 107  and name HA  ))
      2.800     2.800     3.200 peak   705 spectrum    3 weight  0.11000E+01 volume  0.18671E-02 ppm1      2.085 ppm2      3.791 CV     1
 ASSI {  706}
   (( segid "PX05" and resid 107  and name HB1 ))
   (( segid "PX05" and resid 107  and name HA  ))
      3.500     3.500     2.500 peak   706 spectrum    3 weight  0.11000E+01 volume  0.11523E-02 ppm1      2.871 ppm2      3.786 CV     1
 ASSI {  707}
   (( segid "PX05" and resid 107  and name HB1 ))
   (( segid "PX05" and resid 104  and name HA  ))
      2.800     2.800     3.200 peak   707 spectrum    3 weight  0.11000E+01 volume  0.14309E-02 ppm1      2.870 ppm2      4.111 CV     1
 ASSI {  708}
   (( segid "PX05" and resid 107  and name HB2 ))
   (( segid "PX05" and resid 104  and name HA  ))
      2.500     2.500     3.500 peak   708 spectrum    3 weight  0.11000E+01 volume  0.51499E-02 ppm1      2.079 ppm2      4.105 CV     1
 ASSI {  713}
   (( segid "PX05" and resid 107  and name HB1 ))
   (( segid "PX14" and resid 35   and name HZ  ))
      4.700     4.700     1.300 peak   713 spectrum    3 weight  0.11000E+01 volume  0.54626E-03 ppm1      2.871 ppm2      5.606 CV     1
 ASSI {  714}
   (( segid "PX05" and resid 107  and name HB2 ))
   (( segid "PX14" and resid 35   and name HZ  ))
      3.300     3.300     2.700 peak   714 spectrum    3 weight  0.11000E+01 volume  0.68697E-03 ppm1      2.083 ppm2      5.604 CV     1
 ASSI {  715}
   (  segid "PX14" and resid 41   and name HG1%)
   (( segid "PX14" and resid 35   and name HZ  ))
      4.100     4.100     1.900 peak   715 spectrum    3 weight  0.11000E+01 volume  0.28508E-03 ppm1      0.463 ppm2      5.605 CV     1
 ASSI {  724}
   (  segid "PX14" and resid 36   and name HD1%)
   (( segid "PX14" and resid 66   and name HA  ))
      4.100     4.100     1.900 peak   724 spectrum    3 weight  0.11000E+01 volume  0.56924E-03 ppm1      0.531 ppm2      3.884 CV     1
 ASSI {  725}
   (  segid "PX14" and resid 36   and name HD1%)
   (( segid "PX14" and resid 67   and name HA  ))
      3.600     3.600     2.400 peak   725 spectrum    3 weight  0.11000E+01 volume  0.56688E-03 ppm1      0.533 ppm2      3.956 CV     1
 ASSI {  729}
   (  segid "PX14" and resid 36   and name HD1%)
   (( segid "PX14" and resid 67   and name HB1 ))
      3.000     3.000     3.000 peak   729 spectrum    3 weight  0.11000E+01 volume  0.48975E-02 ppm1      0.531 ppm2      3.282 CV     1
 ASSI {  730}
   (  segid "PX14" and resid 53   and name HD2%)
   (  segid "PX14" and resid 67   and name HE% )
      3.800     3.800     2.200 peak   730 spectrum    3 weight  0.11000E+01 volume  0.73742E-03 ppm1      0.914 ppm2      7.050 CV     1
 ASSI {  732}
   (  segid "PX14" and resid 53   and name HD2%)
   (  segid "PX14" and resid 35   and name HE% )
      3.700     3.700     2.300 peak   732 spectrum    3 weight  0.11000E+01 volume  0.54283E-03 ppm1      0.915 ppm2      6.613 CV     1
 ASSI {  735}
   (( segid "PX05" and resid 105  and name HB1 ))
   (( segid "PX05" and resid 105  and name HA  ))
      2.900     2.900     3.100 peak   735 spectrum    3 weight  0.11000E+01 volume  0.39685E-02 ppm1      2.201 ppm2      3.977 CV     1
 ASSI {  743}
   (( segid "PX14" and resid 69   and name HG2 ))
   (( segid "PX14" and resid 69   and name HG1 ))
      1.700     1.700     4.300 peak   743 spectrum    3 weight  0.11000E+01 volume  0.22384E-01 ppm1      2.312 ppm2      2.587 CV     1
 ASSI {  751}
   (( segid "PX14" and resid 43   and name HG1 ))
   (( segid "PX14" and resid 43   and name HG2 ))
      1.900     1.900     4.100 peak   751 spectrum    3 weight  0.11000E+01 volume  0.11082E-01 ppm1      2.518 ppm2      2.356 CV     1
 ASSI {  773}
   (  segid "PX14" and resid 53   and name HD2%)
   (( segid "PX14" and resid 50   and name HA  ))
      4.600     4.600     1.400 peak   773 spectrum    3 weight  0.11000E+01 volume  0.27457E-03 ppm1      0.914 ppm2      3.890 CV     1
 ASSI {  780}
   (  segid "PX05" and resid 108  and name HD2%)
   (( segid "PX14" and resid 41   and name HA  ))
      2.900     2.900     3.100 peak   780 spectrum    3 weight  0.11000E+01 volume  0.12124E-02 ppm1      0.718 ppm2      3.316 CV     1
 ASSI {  788}
   (  segid "PX14" and resid 33   and name HG2%)
   (( segid "PX14" and resid 30   and name HA  ))
      3.300     3.300     2.700 peak   788 spectrum    3 weight  0.11000E+01 volume  0.95782E-03 ppm1      0.626 ppm2      3.961 CV     1
 ASSI {  797}
   (( segid "PX14" and resid 49   and name HB1 ))
   (  segid "PX14" and resid 36   and name HD1%)
      3.700     3.700     2.300 peak   797 spectrum    3 weight  0.11000E+01 volume  0.62406E-03 ppm1      1.694 ppm2      0.554 CV     1
 ASSI {  799}
   (( segid "PX14" and resid 38   and name HB1 ))
   (  segid "PX14" and resid 41   and name HG2%)
      3.000     3.000     3.000 peak   799 spectrum    3 weight  0.11000E+01 volume  0.14872E-02 ppm1      2.699 ppm2     -0.380 CV     1
 ASSI {  800}
   (( segid "PX05" and resid 105  and name HG2 ))
   (( segid "PX05" and resid 105  and name HB1 ))
      2.500     2.500     3.500 peak   800 spectrum    3 weight  0.11000E+01 volume  0.44703E-02 ppm1      2.441 ppm2      2.223 CV     1
 ASSI {  801}
   (( segid "PX05" and resid 105  and name HG1 ))
   (( segid "PX05" and resid 105  and name HG2 ))
      2.400     2.400     3.600 peak   801 spectrum    3 weight  0.11000E+01 volume  0.34023E-02 ppm1      2.536 ppm2      2.461 CV     1
 ASSI {  802}
   (( segid "PX05" and resid 105  and name HG1 ))
   (( segid "PX05" and resid 105  and name HA  ))
      3.800     3.800     2.200 peak   802 spectrum    3 weight  0.11000E+01 volume  0.61027E-03 ppm1      2.540 ppm2      3.978 CV     1
 ASSI {  803}
   (( segid "PX05" and resid 105  and name HG2 ))
   (( segid "PX05" and resid 105  and name HA  ))
      3.800     3.800     2.200 peak   803 spectrum    3 weight  0.11000E+01 volume  0.59070E-03 ppm1      2.443 ppm2      3.977 CV     1
 ASSI {  809}
   (  segid "PX05" and resid 110  and name HB% )
   (( segid "PX05" and resid 107  and name HA  ))
      4.800     4.800     1.200 peak   809 spectrum    3 weight  0.11000E+01 volume  0.11665E-03 ppm1      1.339 ppm2      3.785 CV     1
 ASSI {  811}
   (( segid "PX05" and resid 108  and name HB2 ))
   (( segid "PX05" and resid 108  and name HA  ))
      2.700     2.700     3.300 peak   811 spectrum    3 weight  0.11000E+01 volume  0.57055E-02 ppm1      1.425 ppm2      3.921 CV     1
 ASSI {  812}
   (( segid "PX05" and resid 108  and name HB1 ))
   (( segid "PX05" and resid 108  and name HA  ))
      2.900     2.900     3.100 peak   812 spectrum    3 weight  0.11000E+01 volume  0.15507E-02 ppm1      1.759 ppm2      3.922 CV     1
 ASSI {  814}
   (( segid "PX05" and resid 108  and name HG  ))
   (( segid "PX05" and resid 108  and name HB2 ))
      3.800     3.800     2.200 peak   814 spectrum    3 weight  0.11000E+01 volume  0.27228E-03 ppm1      1.964 ppm2      1.450 CV     1
 ASSI {  816}
   (( segid "PX05" and resid 108  and name HB1 ))
   (( segid "PX05" and resid 105  and name HA  ))
      4.000     4.000     2.000 peak   816 spectrum    3 weight  0.11000E+01 volume  0.10952E-02 ppm1      1.759 ppm2      3.976 CV     1
 ASSI {  817}
   (( segid "PX05" and resid 108  and name HB2 ))
   (( segid "PX05" and resid 105  and name HA  ))
      3.600     3.600     2.400 peak   817 spectrum    3 weight  0.11000E+01 volume  0.44782E-03 ppm1      1.427 ppm2      3.978 CV     1
 ASSI {  818}
   (( segid "PX05" and resid 106  and name HB1 ))
   (( segid "PX05" and resid 103  and name HA  ))
      4.500     4.500     1.500 peak   818 spectrum    3 weight  0.11000E+01 volume  0.73641E-03 ppm1      2.326 ppm2      4.745 CV     1
 ASSI {  819}
   (( segid "PX05" and resid 106  and name HB1 ))
   (( segid "PX05" and resid 106  and name HA  ))
      2.500     2.500     3.500 peak   819 spectrum    3 weight  0.11000E+01 volume  0.47796E-02 ppm1      2.326 ppm2      4.011 CV     1
 ASSI {  820}
   (( segid "PX05" and resid 105  and name HB1 ))
   (( segid "PX05" and resid 102  and name HA  ))
      3.000     3.000     3.000 peak   820 spectrum    3 weight  0.11000E+01 volume  0.13031E-02 ppm1      2.202 ppm2      4.575 CV     1
 ASSI {  821}
   (( segid "PX05" and resid 101  and name HB1 ))
   (( segid "PX05" and resid 101  and name HA  ))
      2.800     2.800     3.200 peak   821 spectrum    3 weight  0.11000E+01 volume  0.37856E-02 ppm1      2.079 ppm2      4.262 CV     1
 ASSI {  823}
   (  segid "PX05" and resid 104  and name HB% )
   (( segid "PX05" and resid 104  and name HA  ))
      2.500     2.500     3.500 peak   823 spectrum    3 weight  0.11000E+01 volume  0.44754E-02 ppm1      1.546 ppm2      4.105 CV     1
 ASSI {  824}
   (( segid "PX05" and resid 98   and name HA  ))
   (  segid "PX05" and resid 98   and name HB% )
      2.400     2.400     3.600 peak   824 spectrum    3 weight  0.11000E+01 volume  0.75044E-02 ppm1      4.129 ppm2      1.362 CV     1
 ASSI {  825}
   (( segid "PX05" and resid 101  and name HB1 ))
   (( segid "PX05" and resid 98   and name HA  ))
      3.500     3.500     2.500 peak   825 spectrum    3 weight  0.11000E+01 volume  0.74527E-03 ppm1      2.079 ppm2      4.150 CV     1
 ASSI {  826}
   (( segid "PX05" and resid 103  and name HB2 ))
   (( segid "PX05" and resid 100  and name HA  ))
      3.600     3.600     2.400 peak   826 spectrum    3 weight  0.11000E+01 volume  0.41666E-03 ppm1      2.942 ppm2      3.576 CV     1
 ASSI {  827}
   (( segid "PX05" and resid 97   and name HA  ))
   (  segid "PX05" and resid 97   and name HD2%)
      2.700     2.700     3.300 peak   827 spectrum    3 weight  0.11000E+01 volume  0.35212E-02 ppm1      4.083 ppm2      0.782 CV     1
 ASSI {  828}
   (  segid "PX05" and resid 95   and name HB% )
   (( segid "PX05" and resid 95   and name HA  ))
      2.700     2.700     3.300 peak   828 spectrum    3 weight  0.11000E+01 volume  0.39327E-02 ppm1      1.217 ppm2      4.140 CV     1
 ASSI {  840}
   (( segid "PX05" and resid 100  and name HB1 ))
   (  segid "PX14" and resid 31   and name HG2%)
      3.300     3.300     2.700 peak   840 spectrum    3 weight  0.11000E+01 volume  0.14256E-02 ppm1      3.876 ppm2     -0.090 CV     1
 ASSI {  847}
   (( segid "PX14" and resid 37   and name HA  ))
   (( segid "PX14" and resid 38   and name HB1 ))
      3.800     3.800     2.200 peak   847 spectrum    3 weight  0.11000E+01 volume  0.15996E-02 ppm1      3.944 ppm2      2.727 CV     1
 ASSI {  853}
   (( segid "PX14" and resid 35   and name HZ  ))
   (  segid "PX14" and resid 53   and name HD1%)
      4.900     4.900     1.100 peak   853 spectrum    3 weight  0.11000E+01 volume  0.23772E-03 ppm1      5.582 ppm2      0.725 CV     1
 ASSI {  856}
   (( segid "PX14" and resid 35   and name HZ  ))
   (  segid "PX05" and resid 104  and name HB% )
      6.000     6.000     0.000 peak   856 spectrum    3 weight  0.11000E+01 volume  0.46695E-04 ppm1      5.583 ppm2      1.558 CV     1
 ASSI {  858}
   (( segid "PX14" and resid 35   and name HZ  ))
   (( segid "PX05" and resid 107  and name HA  ))
      6.000     6.000     0.000 peak   858 spectrum    3 weight  0.11000E+01 volume  0.48943E-04 ppm1      5.582 ppm2      3.779 CV     1
 ASSI {  860}
   (  segid "PX14" and resid 31   and name HG2%)
   (( segid "PX14" and resid 28   and name HA  ))
      4.400     4.400     1.600 peak   860 spectrum    3 weight  0.11000E+01 volume  0.38939E-03 ppm1     -0.114 ppm2      4.123 CV     1
 ASSI {  861}
   (( segid "PX14" and resid 33   and name HA  ))
   (  segid "PX14" and resid 36   and name HD1%)
      2.600     2.600     3.400 peak   861 spectrum    3 weight  0.11000E+01 volume  0.44130E-02 ppm1      3.264 ppm2      0.559 CV     1
 ASSI {  871}
   (( segid "PX14" and resid 70   and name HA  ))
   (( segid "PX14" and resid 33   and name HA  ))
      3.600     3.600     2.400 peak   871 spectrum    3 weight  0.11000E+01 volume  0.95534E-03 ppm1      4.236 ppm2      3.298 CV     1
 ASSI {  888}
   (( segid "PX14" and resid 40   and name HD2 ))
   (( segid "PX14" and resid 40   and name HG2 ))
      3.100     3.100     2.900 peak   888 spectrum    3 weight  0.11000E+01 volume  0.16560E-02 ppm1      3.118 ppm2      1.583 CV     1
 ASSI {  889}
   (( segid "PX14" and resid 40   and name HD1 ))
   (( segid "PX14" and resid 40   and name HG2 ))
      2.900     2.900     3.100 peak   889 spectrum    3 weight  0.11000E+01 volume  0.19656E-02 ppm1      3.184 ppm2      1.583 CV     1
 ASSI {  890}
   (( segid "PX14" and resid 40   and name HG1 ))
   (( segid "PX14" and resid 40   and name HB1 ))
      1.800     1.800     4.200 peak   890 spectrum    3 weight  0.11000E+01 volume  0.82243E-01 ppm1      1.743 ppm2      1.857 CV     1
 ASSI {  891}
   (( segid "PX14" and resid 40   and name HG1 ))
   (( segid "PX14" and resid 40   and name HG2 ))
      1.800     0.400     0.400 peak   891 spectrum    3 weight  0.11000E+01 volume  0.12651E-01 ppm1      1.742 ppm2      1.587 CV     1
 ASSI {  897}
   (( segid "PX14" and resid 38   and name HA  ))
   (  segid "PX14" and resid 41   and name HG1%)
      5.700     5.700     0.300 peak   897 spectrum    3 weight  0.11000E+01 volume  0.15889E-03 ppm1      4.288 ppm2      0.485 CV     1
 ASSI {  898}
   (( segid "PX14" and resid 35   and name HA  ))
   (  segid "PX14" and resid 41   and name HG1%)
      4.100     4.100     1.900 peak   898 spectrum    3 weight  0.11000E+01 volume  0.38130E-03 ppm1      4.236 ppm2      0.486 CV     1
 ASSI {  919}
   (( segid "PX05" and resid 100  and name HA  ))
   (  segid "PX05" and resid 99   and name HD1%)
      3.500     3.500     2.500 peak   919 spectrum    3 weight  0.11000E+01 volume  0.15939E-02 ppm1      3.556 ppm2      0.916 CV     1
 ASSI {  920}
   (( segid "PX05" and resid 100  and name HA  ))
   (  segid "PX05" and resid 99   and name HD2%)
      5.100     5.100     0.900 peak   920 spectrum    3 weight  0.11000E+01 volume  0.16005E-03 ppm1      3.555 ppm2      0.742 CV     1
 ASSI {  926}
   (( segid "PX05" and resid 103  and name HZ3 ))
   (( segid "PX14" and resid 35   and name HB1 ))
      4.600     4.600     1.400 peak   926 spectrum    3 weight  0.11000E+01 volume  0.27165E-03 ppm1      6.338 ppm2      3.571 CV     1
 ASSI {  928}
   (( segid "PX05" and resid 103  and name HZ3 ))
   (( segid "PX14" and resid 31   and name HA  ))
      3.300     3.300     2.700 peak   928 spectrum    3 weight  0.11000E+01 volume  0.49739E-03 ppm1      6.339 ppm2      3.850 CV     1
 ASSI {  929}
   (( segid "PX14" and resid 42   and name HA  ))
   (  segid "PX14" and resid 41   and name HG2%)
      4.100     4.100     1.900 peak   929 spectrum    3 weight  0.11000E+01 volume  0.74641E-03 ppm1      3.805 ppm2     -0.379 CV     1
 ASSI {  930}
   (( segid "PX14" and resid 49   and name HA  ))
   (  segid "PX14" and resid 41   and name HG2%)
      4.900     4.900     1.100 peak   930 spectrum    3 weight  0.11000E+01 volume  0.37707E-03 ppm1      3.933 ppm2     -0.381 CV     1
 ASSI {  933}
   (( segid "PX05" and resid 103  and name HH2 ))
   (( segid "PX14" and resid 28   and name HA  ))
      3.900     3.900     2.100 peak   933 spectrum    3 weight  0.11000E+01 volume  0.42017E-03 ppm1      6.847 ppm2      4.128 CV     1
 ASSI {  934}
   (( segid "PX05" and resid 103  and name HH2 ))
   (( segid "PX14" and resid 32   and name HA  ))
      4.500     4.500     1.500 peak   934 spectrum    3 weight  0.11000E+01 volume  0.39285E-03 ppm1      6.846 ppm2      4.216 CV     1
 ASSI {  939}
   (  segid "PX14" and resid 35   and name HE% )
   (( segid "PX14" and resid 52   and name HB1 ))
      3.300     3.300     2.700 peak   939 spectrum    3 weight  0.11000E+01 volume  0.72018E-03 ppm1      6.591 ppm2      3.509 CV     1
 ASSI {  940}
   (  segid "PX14" and resid 35   and name HE% )
   (( segid "PX14" and resid 52   and name HB2 ))
      3.700     3.700     2.300 peak   940 spectrum    3 weight  0.11000E+01 volume  0.13876E-02 ppm1      6.590 ppm2      3.017 CV     1
 ASSI {  941}
   (( segid "PX14" and resid 53   and name HB2 ))
   (( segid "PX14" and resid 53   and name HA  ))
      3.100     1.200     1.200 peak   941 spectrum    3 weight  0.11000E+01 volume  0.20068E-02 ppm1      2.060 ppm2      3.471 CV     1
 ASSI {  942}
   (( segid "PX14" and resid 53   and name HB2 ))
   (( segid "PX14" and resid 53   and name HG  ))
      3.200     1.300     1.300 peak   942 spectrum    3 weight  0.11000E+01 volume  0.82457E-03 ppm1      2.058 ppm2      1.224 CV     1
 ASSI {  943}
   (( segid "PX14" and resid 53   and name HB2 ))
   (  segid "PX14" and resid 53   and name HD1%)
      2.800     1.000     1.000 peak   943 spectrum    3 weight  0.11000E+01 volume  0.27425E-02 ppm1      2.060 ppm2      0.734 CV     1
 ASSI {  944}
   (( segid "PX14" and resid 53   and name HN  ))
   (( segid "PX14" and resid 52   and name HB2 ))
      3.800     3.800     2.200 peak   944 spectrum    3 weight  0.11000E+01 volume  0.17741E-02 ppm1      7.460 ppm2      3.020 CV     1
 ASSI {  945}
   (( segid "PX14" and resid 53   and name HN  ))
   (( segid "PX14" and resid 52   and name HB1 ))
      2.800     2.800     3.200 peak   945 spectrum    3 weight  0.11000E+01 volume  0.15120E-02 ppm1      7.454 ppm2      3.512 CV     1
 ASSI {  946}
   (( segid "PX14" and resid 53   and name HN  ))
   (( segid "PX14" and resid 50   and name HA  ))
      3.700     3.700     2.300 peak   946 spectrum    3 weight  0.11000E+01 volume  0.50808E-03 ppm1      7.460 ppm2      3.891 CV     1
 ASSI {  947}
   (( segid "PX14" and resid 53   and name HN  ))
   (( segid "PX14" and resid 52   and name HA  ))
      4.300     4.300     1.700 peak   947 spectrum    3 weight  0.11000E+01 volume  0.29231E-03 ppm1      7.460 ppm2      4.097 CV     1
 ASSI {  949}
   (( segid "PX14" and resid 53   and name HN  ))
   (( segid "PX14" and resid 53   and name HA  ))
      2.800     2.800     3.200 peak   949 spectrum    3 weight  0.11000E+01 volume  0.22078E-02 ppm1      7.460 ppm2      3.472 CV     1
 ASSI {  950}
   (( segid "PX14" and resid 53   and name HN  ))
   (( segid "PX14" and resid 53   and name HB1 ))
      3.600     1.600     1.600 peak   950 spectrum    3 weight  0.11000E+01 volume  0.19815E-02 ppm1      7.459 ppm2      2.002 CV     1
 ASSI {  951}
   (( segid "PX14" and resid 53   and name HN  ))
   (( segid "PX14" and resid 53   and name HB2 ))
      2.500     2.500     3.500 peak   951 spectrum    3 weight  0.11000E+01 volume  0.33533E-02 ppm1      7.459 ppm2      2.083 CV     1
 ASSI {  952}
   (( segid "PX14" and resid 54   and name HN  ))
   (( segid "PX14" and resid 53   and name HB2 ))
      3.600     3.600     2.400 peak   952 spectrum    3 weight  0.11000E+01 volume  0.40838E-03 ppm1      8.083 ppm2      2.083 CV     1
 ASSI {  953}
   (( segid "PX14" and resid 54   and name HN  ))
   (( segid "PX14" and resid 53   and name HB1 ))
      3.700     1.700     1.700 peak   953 spectrum    3 weight  0.11000E+01 volume  0.11152E-02 ppm1      8.083 ppm2      2.002 CV     1
 ASSI {  954}
   (( segid "PX14" and resid 54   and name HN  ))
   (( segid "PX14" and resid 54   and name HB1 ))
      2.700     2.700     3.300 peak   954 spectrum    3 weight  0.11000E+01 volume  0.54229E-02 ppm1      8.084 ppm2      1.784 CV     1
 ASSI {  955}
   (  segid "PX14" and resid 52   and name HE% )
   (( segid "PX05" and resid 106  and name HG1 ))
      5.700     4.100     0.300 peak   955 spectrum    3 weight  0.11000E+01 volume  0.13441E-03 ppm1      6.894 ppm2      2.534 CV     1
 ASSI {  956}
   (( segid "PX14" and resid 54   and name HN  ))
   (( segid "PX14" and resid 54   and name HG1 ))
      3.800     3.800     2.200 peak   956 spectrum    3 weight  0.11000E+01 volume  0.76063E-03 ppm1      8.083 ppm2      1.485 CV     1
 ASSI {  957}
   (( segid "PX14" and resid 53   and name HN  ))
   (( segid "PX14" and resid 56   and name HE2 ))
      3.300     3.300     2.700 peak   957 spectrum    3 weight  0.11000E+01 volume  0.16383E-02 ppm1      7.459 ppm2      1.223 CV     1
 ASSI {  958}
   (( segid "PX14" and resid 54   and name HN  ))
   (  segid "PX14" and resid 63   and name HG2%)
      3.300     3.300     2.700 peak   958 spectrum    3 weight  0.11000E+01 volume  0.16242E-02 ppm1      8.084 ppm2      0.643 CV     1
 ASSI {  961}
   (( segid "PX14" and resid 54   and name HN  ))
   (( segid "PX14" and resid 54   and name HA  ))
      3.100     3.100     2.900 peak   961 spectrum    3 weight  0.11000E+01 volume  0.16200E-02 ppm1      8.083 ppm2      4.151 CV     1
 ASSI {  963}
   (( segid "PX14" and resid 67   and name HN  ))
   (  segid "PX14" and resid 67   and name HD% )
      3.500     3.500     2.500 peak   963 spectrum    3 weight  0.11000E+01 volume  0.81075E-03 ppm1      9.058 ppm2      7.256 CV     1
 ASSI {  964}
   (( segid "PX14" and resid 67   and name HN  ))
   (( segid "PX14" and resid 64   and name HA  ))
      3.600     3.600     2.400 peak   964 spectrum    3 weight  0.11000E+01 volume  0.67905E-03 ppm1      9.058 ppm2      4.410 CV     1
 ASSI {  965}
   (( segid "PX14" and resid 67   and name HN  ))
   (( segid "PX14" and resid 67   and name HA  ))
      3.200     3.200     2.800 peak   965 spectrum    3 weight  0.11000E+01 volume  0.11063E-02 ppm1      9.058 ppm2      3.953 CV     1
 ASSI {  966}
   (( segid "PX14" and resid 67   and name HN  ))
   (( segid "PX14" and resid 66   and name HA  ))
      3.600     3.600     2.400 peak   966 spectrum    3 weight  0.11000E+01 volume  0.81733E-03 ppm1      9.058 ppm2      3.887 CV     1
 ASSI {  967}
   (( segid "PX14" and resid 67   and name HN  ))
   (( segid "PX14" and resid 67   and name HB1 ))
      3.300     3.300     2.700 peak   967 spectrum    3 weight  0.11000E+01 volume  0.37751E-02 ppm1      9.058 ppm2      3.278 CV     1
 ASSI {  968}
   (( segid "PX14" and resid 67   and name HN  ))
   (( segid "PX14" and resid 67   and name HB2 ))
      2.700     2.700     3.300 peak   968 spectrum    3 weight  0.11000E+01 volume  0.24920E-02 ppm1      9.058 ppm2      3.007 CV     1
 ASSI {  969}
   (( segid "PX14" and resid 67   and name HN  ))
   (  segid "PX14" and resid 66   and name HB% )
      3.100     3.100     2.900 peak   969 spectrum    3 weight  0.11000E+01 volume  0.13774E-02 ppm1      9.058 ppm2      1.315 CV     1
 ASSI {  970}
   (( segid "PX14" and resid 67   and name HN  ))
   (  segid "PX14" and resid 36   and name HD2%)
      4.000     4.000     2.000 peak   970 spectrum    3 weight  0.11000E+01 volume  0.54820E-03 ppm1      9.057 ppm2      0.176 CV     1
 ASSI {  974}
   (( segid "PX14" and resid 52   and name HN  ))
   (( segid "PX14" and resid 52   and name HB2 ))
      3.200     3.200     2.800 peak   974 spectrum    3 weight  0.11000E+01 volume  0.90468E-03 ppm1      7.950 ppm2      3.018 CV     1
 ASSI {  975}
   (( segid "PX14" and resid 52   and name HN  ))
   (( segid "PX14" and resid 52   and name HB1 ))
      3.500     3.500     2.500 peak   975 spectrum    3 weight  0.11000E+01 volume  0.71166E-03 ppm1      7.951 ppm2      3.511 CV     1
 ASSI {  976}
   (( segid "PX14" and resid 52   and name HN  ))
   (( segid "PX14" and resid 52   and name HA  ))
      4.100     4.100     1.900 peak   976 spectrum    3 weight  0.11000E+01 volume  0.32637E-03 ppm1      7.952 ppm2      4.099 CV     1
 ASSI {  978}
   (( segid "PX14" and resid 65   and name HN  ))
   (( segid "PX14" and resid 65   and name HB1 ))
      3.100     3.100     2.900 peak   978 spectrum    3 weight  0.11000E+01 volume  0.19038E-02 ppm1      8.039 ppm2      2.155 CV     1
 ASSI {  984}
   (( segid "PX14" and resid 33   and name HN  ))
   (  segid "PX14" and resid 33   and name HG1%)
      2.900     2.900     3.100 peak   984 spectrum    3 weight  0.11000E+01 volume  0.21033E-02 ppm1      8.883 ppm2      1.144 CV     1
 ASSI {  986}
   (( segid "PX14" and resid 33   and name HN  ))
   (( segid "PX14" and resid 30   and name HA  ))
      3.600     3.600     2.400 peak   986 spectrum    3 weight  0.11000E+01 volume  0.73936E-03 ppm1      8.883 ppm2      3.961 CV     1
 ASSI {  987}
   (( segid "PX14" and resid 33   and name HN  ))
   (( segid "PX14" and resid 33   and name HA  ))
      3.300     3.300     2.700 peak   987 spectrum    3 weight  0.11000E+01 volume  0.95192E-03 ppm1      8.883 ppm2      3.296 CV     1
 ASSI {  988}
   (( segid "PX14" and resid 33   and name HN  ))
   (( segid "PX14" and resid 33   and name HB  ))
      2.900     2.900     3.100 peak   988 spectrum    3 weight  0.11000E+01 volume  0.37090E-02 ppm1      8.883 ppm2      2.136 CV     1
 ASSI {  989}
   (( segid "PX14" and resid 33   and name HN  ))
   (  segid "PX14" and resid 32   and name HB% )
      3.100     3.100     2.900 peak   989 spectrum    3 weight  0.11000E+01 volume  0.12960E-02 ppm1      8.883 ppm2      1.598 CV     1
 ASSI {  990}
   (( segid "PX14" and resid 33   and name HN  ))
   (  segid "PX14" and resid 66   and name HB% )
      3.600     3.600     2.400 peak   990 spectrum    3 weight  0.11000E+01 volume  0.80793E-03 ppm1      8.883 ppm2      1.318 CV     1
 ASSI {  991}
   (( segid "PX14" and resid 33   and name HN  ))
   (  segid "PX14" and resid 29   and name HG2%)
      3.800     3.800     2.200 peak   991 spectrum    3 weight  0.11000E+01 volume  0.54927E-03 ppm1      8.883 ppm2      0.748 CV     1
 ASSI {  992}
   (( segid "PX14" and resid 33   and name HN  ))
   (  segid "PX14" and resid 33   and name HG2%)
      3.300     3.300     2.700 peak   992 spectrum    3 weight  0.11000E+01 volume  0.92293E-03 ppm1      8.883 ppm2      0.648 CV     1
 ASSI {  993}
   (( segid "PX14" and resid 33   and name HN  ))
   (  segid "PX14" and resid 36   and name HD2%)
      5.400     5.400     0.600 peak   993 spectrum    3 weight  0.11000E+01 volume  0.11280E-03 ppm1      8.883 ppm2      0.175 CV     1
 ASSI {  997}
   (( segid "PX14" and resid 35   and name HN  ))
   (  segid "PX14" and resid 35   and name HD% )
      5.000     3.100     1.000 peak   997 spectrum    3 weight  0.11000E+01 volume  0.41144E-03 ppm1      7.980 ppm2      7.219 CV     1
 ASSI {  998}
   (( segid "PX14" and resid 34   and name HN  ))
   (( segid "PX14" and resid 33   and name HB  ))
      3.100     3.100     2.900 peak   998 spectrum    3 weight  0.11000E+01 volume  0.24392E-02 ppm1      7.055 ppm2      2.135 CV     1
 ASSI { 1000}
   (( segid "PX14" and resid 34   and name HN  ))
   (( segid "PX14" and resid 34   and name HG2 ))
      3.200     3.200     2.800 peak  1000 spectrum    3 weight  0.11000E+01 volume  0.22955E-02 ppm1      7.055 ppm2      1.455 CV     1
 ASSI { 1001}
   (( segid "PX14" and resid 32   and name HN  ))
   (  segid "PX14" and resid 32   and name HB% )
      3.100     3.100     2.900 peak  1001 spectrum    3 weight  0.11000E+01 volume  0.13684E-02 ppm1      8.212 ppm2      1.598 CV     1
 ASSI { 1002}
   (( segid "PX14" and resid 32   and name HN  ))
   (( segid "PX14" and resid 31   and name HA  ))
      3.600     3.600     2.400 peak  1002 spectrum    3 weight  0.11000E+01 volume  0.73762E-03 ppm1      8.212 ppm2      3.848 CV     1
 ASSI { 1003}
   (( segid "PX14" and resid 32   and name HN  ))
   (( segid "PX14" and resid 32   and name HA  ))
      3.700     3.700     2.300 peak  1003 spectrum    3 weight  0.11000E+01 volume  0.46495E-03 ppm1      8.212 ppm2      4.220 CV     1
 ASSI { 1004}
   (( segid "PX14" and resid 33   and name HN  ))
   (( segid "PX14" and resid 32   and name HA  ))
      4.500     4.500     1.500 peak  1004 spectrum    3 weight  0.11000E+01 volume  0.18546E-03 ppm1      8.883 ppm2      4.217 CV     1
 ASSI { 1006}
   (( segid "PX14" and resid 66   and name HN  ))
   (( segid "PX14" and resid 66   and name HA  ))
      3.200     3.200     2.800 peak  1006 spectrum    3 weight  0.11000E+01 volume  0.11998E-02 ppm1      8.559 ppm2      3.886 CV     1
 ASSI { 1008}
   (( segid "PX14" and resid 66   and name HN  ))
   (( segid "PX14" and resid 65   and name HB1 ))
      2.900     2.900     3.100 peak  1008 spectrum    3 weight  0.11000E+01 volume  0.19060E-02 ppm1      8.559 ppm2      2.154 CV     1
 ASSI { 1009}
   (( segid "PX14" and resid 65   and name HB2 ))
   (( segid "PX14" and resid 65   and name HG1 ))
      3.000     1.200     1.200 peak  1009 spectrum    3 weight  0.11000E+01 volume  0.11751E-02 ppm1      2.064 ppm2      2.797 CV     1
 ASSI { 1010}
   (( segid "PX14" and resid 65   and name HG2 ))
   (( segid "PX14" and resid 65   and name HB2 ))
      3.100     3.100     2.900 peak  1010 spectrum    3 weight  0.11000E+01 volume  0.23091E-02 ppm1      2.482 ppm2      2.084 CV     1
 ASSI { 1011}
   (( segid "PX14" and resid 66   and name HN  ))
   (( segid "PX14" and resid 65   and name HB2 ))
      3.400     3.400     2.600 peak  1011 spectrum    3 weight  0.11000E+01 volume  0.15219E-02 ppm1      8.559 ppm2      2.086 CV     1
 ASSI { 1012}
   (( segid "PX14" and resid 65   and name HN  ))
   (( segid "PX14" and resid 65   and name HA  ))
      3.200     1.300     1.300 peak  1012 spectrum    3 weight  0.11000E+01 volume  0.12938E-02 ppm1      8.038 ppm2      4.097 CV     1
 ASSI { 1013}
   (( segid "PX14" and resid 65   and name HN  ))
   (( segid "PX14" and resid 65   and name HB2 ))
      3.300     3.300     2.700 peak  1013 spectrum    3 weight  0.11000E+01 volume  0.79264E-03 ppm1      8.038 ppm2      2.087 CV     1
 ASSI { 1014}
   (( segid "PX14" and resid 65   and name HN  ))
   (( segid "PX14" and resid 64   and name HB1 ))
      3.200     3.200     2.800 peak  1014 spectrum    3 weight  0.11000E+01 volume  0.11335E-02 ppm1      8.039 ppm2      2.839 CV     1
 ASSI { 1015}
   (( segid "PX14" and resid 65   and name HN  ))
   (( segid "PX14" and resid 65   and name HG1 ))
      3.600     3.600     2.400 peak  1015 spectrum    3 weight  0.11000E+01 volume  0.18667E-02 ppm1      8.039 ppm2      2.800 CV     1
 ASSI { 1016}
   (( segid "PX14" and resid 65   and name HN  ))
   (( segid "PX14" and resid 64   and name HA  ))
      4.100     4.100     1.900 peak  1016 spectrum    3 weight  0.11000E+01 volume  0.31388E-03 ppm1      8.040 ppm2      4.410 CV     1
 ASSI { 1017}
   (( segid "PX14" and resid 64   and name HN  ))
   (( segid "PX14" and resid 64   and name HA  ))
      3.300     3.300     2.700 peak  1017 spectrum    3 weight  0.11000E+01 volume  0.10487E-02 ppm1      8.330 ppm2      4.410 CV     1
 ASSI { 1018}
   (( segid "PX14" and resid 64   and name HN  ))
   (( segid "PX14" and resid 63   and name HA  ))
      4.000     4.000     2.000 peak  1018 spectrum    3 weight  0.11000E+01 volume  0.40126E-03 ppm1      8.333 ppm2      3.286 CV     1
 ASSI { 1019}
   (( segid "PX14" and resid 65   and name HN  ))
   (( segid "PX14" and resid 64   and name HB2 ))
      5.500     5.500     0.500 peak  1019 spectrum    3 weight  0.11000E+01 volume  0.12497E-03 ppm1      8.038 ppm2      2.636 CV     1
 ASSI { 1020}
   (( segid "PX14" and resid 64   and name HN  ))
   (( segid "PX14" and resid 64   and name HB1 ))
      3.100     3.100     2.900 peak  1020 spectrum    3 weight  0.11000E+01 volume  0.18891E-02 ppm1      8.330 ppm2      2.840 CV     1
 ASSI { 1021}
   (( segid "PX14" and resid 64   and name HN  ))
   (( segid "PX14" and resid 64   and name HB2 ))
      3.100     3.100     2.900 peak  1021 spectrum    3 weight  0.11000E+01 volume  0.13742E-02 ppm1      8.330 ppm2      2.636 CV     1
 ASSI { 1023}
   (( segid "PX14" and resid 63   and name HN  ))
   (( segid "PX14" and resid 63   and name HA  ))
      3.000     3.000     3.000 peak  1023 spectrum    3 weight  0.11000E+01 volume  0.17178E-02 ppm1      8.544 ppm2      3.284 CV     1
 ASSI { 1026}
   (( segid "PX14" and resid 63   and name HN  ))
   (( segid "PX14" and resid 60   and name HA  ))
      3.500     3.500     2.500 peak  1026 spectrum    3 weight  0.11000E+01 volume  0.75366E-03 ppm1      8.542 ppm2      4.183 CV     1
 ASSI { 1027}
   (( segid "PX14" and resid 66   and name HN  ))
   (( segid "PX14" and resid 62   and name HA  ))
      4.100     4.100     1.900 peak  1027 spectrum    3 weight  0.11000E+01 volume  0.36907E-03 ppm1      8.555 ppm2      3.825 CV     1
 ASSI { 1028}
   (( segid "PX14" and resid 62   and name HN  ))
   (( segid "PX14" and resid 62   and name HA  ))
      3.400     3.400     2.600 peak  1028 spectrum    3 weight  0.11000E+01 volume  0.88462E-03 ppm1      7.737 ppm2      3.825 CV     1
 ASSI { 1029}
   (( segid "PX14" and resid 62   and name HN  ))
   (( segid "PX14" and resid 61   and name HA  ))
      4.400     4.400     1.600 peak  1029 spectrum    3 weight  0.11000E+01 volume  0.22900E-03 ppm1      7.737 ppm2      4.053 CV     1
 ASSI { 1039}
   (( segid "PX14" and resid 59   and name HN  ))
   (( segid "PX14" and resid 59   and name HB  ))
      3.900     3.900     2.100 peak  1039 spectrum    3 weight  0.11000E+01 volume  0.48253E-03 ppm1      9.180 ppm2      4.667 CV     1
 ASSI { 1040}
   (( segid "PX14" and resid 59   and name HN  ))
   (( segid "PX14" and resid 59   and name HA  ))
      3.200     3.200     2.800 peak  1040 spectrum    3 weight  0.11000E+01 volume  0.10441E-02 ppm1      9.180 ppm2      4.273 CV     1
 ASSI { 1041}
   (( segid "PX14" and resid 59   and name HN  ))
   (( segid "PX14" and resid 58   and name HA  ))
      2.500     2.500     3.500 peak  1041 spectrum    3 weight  0.11000E+01 volume  0.44379E-02 ppm1      9.180 ppm2      4.408 CV     1
 ASSI { 1045}
   (( segid "PX14" and resid 59   and name HN  ))
   (( segid "PX14" and resid 58   and name HG  ))
      3.400     3.400     2.600 peak  1045 spectrum    3 weight  0.11000E+01 volume  0.26804E-02 ppm1      9.180 ppm2      1.667 CV     1
 ASSI { 1046}
   (( segid "PX14" and resid 59   and name HN  ))
   (  segid "PX14" and resid 59   and name HG2%)
      2.700     2.700     3.300 peak  1046 spectrum    3 weight  0.11000E+01 volume  0.31103E-02 ppm1      9.180 ppm2      1.219 CV     1
 ASSI { 1047}
   (( segid "PX14" and resid 59   and name HN  ))
   (( segid "PX14" and resid 58   and name HB2 ))
      4.600     4.600     1.400 peak  1047 spectrum    3 weight  0.11000E+01 volume  0.48703E-03 ppm1      9.180 ppm2      1.111 CV     1
 ASSI { 1048}
   (( segid "PX14" and resid 59   and name HN  ))
   (  segid "PX14" and resid 58   and name HD2%)
      4.800     4.800     1.200 peak  1048 spectrum    3 weight  0.11000E+01 volume  0.32397E-03 ppm1      9.180 ppm2      0.904 CV     1
 ASSI { 1049}
   (( segid "PX14" and resid 59   and name HN  ))
   (  segid "PX14" and resid 58   and name HD1%)
      4.900     4.900     1.100 peak  1049 spectrum    3 weight  0.11000E+01 volume  0.41544E-03 ppm1      9.180 ppm2      0.712 CV     1
 ASSI { 1050}
   (( segid "PX14" and resid 36   and name HN  ))
   (( segid "PX14" and resid 36   and name HB2 ))
      2.800     2.800     3.200 peak  1050 spectrum    3 weight  0.11000E+01 volume  0.16080E-02 ppm1      8.347 ppm2      1.231 CV     1
 ASSI { 1051}
   (( segid "PX14" and resid 36   and name HN  ))
   (  segid "PX14" and resid 36   and name HD1%)
      3.500     3.500     2.500 peak  1051 spectrum    3 weight  0.11000E+01 volume  0.10159E-02 ppm1      8.347 ppm2      0.556 CV     1
 ASSI { 1052}
   (( segid "PX14" and resid 36   and name HN  ))
   (  segid "PX14" and resid 36   and name HD2%)
      3.900     3.900     2.100 peak  1052 spectrum    3 weight  0.11000E+01 volume  0.80122E-03 ppm1      8.347 ppm2      0.177 CV     1
 ASSI { 1053}
   (( segid "PX14" and resid 64   and name HN  ))
   (  segid "PX14" and resid 63   and name HD1%)
      4.600     4.600     1.400 peak  1053 spectrum    3 weight  0.11000E+01 volume  0.41033E-03 ppm1      8.331 ppm2      0.801 CV     1
 ASSI { 1054}
   (( segid "PX14" and resid 36   and name HN  ))
   (  segid "PX14" and resid 41   and name HG2%)
      5.300     5.300     0.700 peak  1054 spectrum    3 weight  0.11000E+01 volume  0.11685E-03 ppm1      8.348 ppm2     -0.379 CV     1
 ASSI { 1055}
   (( segid "PX14" and resid 32   and name HN  ))
   (  segid "PX14" and resid 31   and name HG2%)
      5.200     3.400     0.800 peak  1055 spectrum    3 weight  0.11000E+01 volume  0.15161E-03 ppm1      8.213 ppm2     -0.093 CV     1
 ASSI { 1056}
   (( segid "PX14" and resid 35   and name HN  ))
   (( segid "PX14" and resid 35   and name HB1 ))
      2.700     2.700     3.300 peak  1056 spectrum    3 weight  0.11000E+01 volume  0.18802E-02 ppm1      7.980 ppm2      3.568 CV     1
 ASSI { 1057}
   (( segid "PX14" and resid 35   and name HN  ))
   (( segid "PX14" and resid 35   and name HB2 ))
      3.200     3.200     2.800 peak  1057 spectrum    3 weight  0.11000E+01 volume  0.15567E-02 ppm1      7.980 ppm2      3.373 CV     1
 ASSI { 1058}
   (( segid "PX14" and resid 36   and name HN  ))
   (( segid "PX14" and resid 35   and name HB1 ))
      3.000     3.000     3.000 peak  1058 spectrum    3 weight  0.11000E+01 volume  0.10730E-02 ppm1      8.347 ppm2      3.567 CV     1
 ASSI { 1059}
   (( segid "PX14" and resid 36   and name HN  ))
   (( segid "PX14" and resid 36   and name HA  ))
      3.100     3.100     2.900 peak  1059 spectrum    3 weight  0.11000E+01 volume  0.14594E-02 ppm1      8.347 ppm2      3.399 CV     1
 ASSI { 1061}
   (( segid "PX14" and resid 36   and name HN  ))
   (( segid "PX14" and resid 36   and name HB1 ))
      3.600     3.600     2.400 peak  1061 spectrum    3 weight  0.11000E+01 volume  0.21156E-02 ppm1      8.347 ppm2      1.814 CV     1
 ASSI { 1062}
   (  segid "PX14" and resid 67   and name HE% )
   (( segid "PX14" and resid 50   and name HB1 ))
      3.400     3.400     2.600 peak  1062 spectrum    3 weight  0.11000E+01 volume  0.17870E-02 ppm1      7.030 ppm2      1.879 CV     1
 ASSI { 1064}
   (( segid "PX14" and resid 36   and name HN  ))
   (  segid "PX14" and resid 35   and name HD% )
      3.700     1.700     1.700 peak  1064 spectrum    3 weight  0.11000E+01 volume  0.65713E-03 ppm1      8.348 ppm2      7.219 CV     1
 ASSI { 1066}
   (( segid "PX14" and resid 37   and name HN  ))
   (( segid "PX14" and resid 36   and name HA  ))
      4.100     4.100     1.900 peak  1066 spectrum    3 weight  0.11000E+01 volume  0.31275E-03 ppm1      7.334 ppm2      3.400 CV     1
 ASSI { 1067}
   (( segid "PX14" and resid 37   and name HN  ))
   (( segid "PX14" and resid 37   and name HA  ))
      3.200     3.200     2.800 peak  1067 spectrum    3 weight  0.11000E+01 volume  0.12357E-02 ppm1      7.334 ppm2      3.964 CV     1
 ASSI { 1068}
   (( segid "PX14" and resid 35   and name HZ  ))
   (( segid "PX14" and resid 52   and name HA  ))
      4.600     4.600     1.400 peak  1068 spectrum    3 weight  0.11000E+01 volume  0.36564E-03 ppm1      5.579 ppm2      4.097 CV     1
 ASSI { 1069}
   (  segid "PX14" and resid 35   and name HE% )
   (( segid "PX05" and resid 107  and name HA  ))
      4.900     4.900     1.100 peak  1069 spectrum    3 weight  0.11000E+01 volume  0.45877E-03 ppm1      6.589 ppm2      3.787 CV     1
 ASSI { 1071}
   (( segid "PX14" and resid 59   and name HN  ))
   (( segid "PX14" and resid 63   and name HN  ))
      4.100     2.100     1.900 peak  1071 spectrum    3 weight  0.11000E+01 volume  0.52257E-03 ppm1      9.181 ppm2      7.760 CV     1
 ASSI { 1073}
   (( segid "PX14" and resid 58   and name HN  ))
   (( segid "PX14" and resid 58   and name HA  ))
      2.900     2.900     3.100 peak  1073 spectrum    3 weight  0.11000E+01 volume  0.20164E-02 ppm1      7.401 ppm2      4.409 CV     1
 ASSI { 1074}
   (( segid "PX14" and resid 58   and name HN  ))
   (( segid "PX14" and resid 57   and name HA2 ))
      3.600     3.600     2.400 peak  1074 spectrum    3 weight  0.11000E+01 volume  0.94373E-03 ppm1      7.399 ppm2      3.565 CV     1
 ASSI { 1078}
   (( segid "PX14" and resid 36   and name HN  ))
   (( segid "PX14" and resid 35   and name HA  ))
      3.700     3.700     2.300 peak  1078 spectrum    3 weight  0.11000E+01 volume  0.71152E-03 ppm1      8.347 ppm2      4.256 CV     1
 ASSI { 1079}
   (( segid "PX14" and resid 63   and name HN  ))
   (( segid "PX14" and resid 64   and name HA  ))
      4.400     4.400     1.600 peak  1079 spectrum    3 weight  0.11000E+01 volume  0.42856E-03 ppm1      8.544 ppm2      4.409 CV     1
 ASSI { 1080}
   (( segid "PX14" and resid 62   and name HN  ))
   (( segid "PX14" and resid 62   and name HB1 ))
      3.400     3.400     2.600 peak  1080 spectrum    3 weight  0.11000E+01 volume  0.26050E-02 ppm1      7.736 ppm2      2.477 CV     1
 ASSI { 1081}
   (( segid "PX14" and resid 62   and name HN  ))
   (( segid "PX14" and resid 62   and name HG2 ))
      3.800     3.800     2.200 peak  1081 spectrum    3 weight  0.11000E+01 volume  0.78620E-03 ppm1      7.737 ppm2      2.137 CV     1
 ASSI { 1082}
   (( segid "PX14" and resid 62   and name HN  ))
   (( segid "PX14" and resid 61   and name HB2 ))
      3.500     3.500     2.500 peak  1082 spectrum    3 weight  0.11000E+01 volume  0.87919E-03 ppm1      7.738 ppm2      1.843 CV     1
 ASSI { 1084}
   (( segid "PX14" and resid 62   and name HN  ))
   (( segid "PX14" and resid 62   and name HB2 ))
      2.800     2.800     3.200 peak  1084 spectrum    3 weight  0.11000E+01 volume  0.16542E-02 ppm1      7.737 ppm2      1.660 CV     1
 ASSI { 1085}
   (( segid "PX14" and resid 63   and name HN  ))
   (( segid "PX14" and resid 62   and name HB2 ))
      3.500     3.500     2.500 peak  1085 spectrum    3 weight  0.11000E+01 volume  0.45434E-03 ppm1      8.543 ppm2      1.661 CV     1
 ASSI { 1086}
   (( segid "PX14" and resid 63   and name HN  ))
   (( segid "PX14" and resid 62   and name HB1 ))
      4.000     4.000     2.000 peak  1086 spectrum    3 weight  0.11000E+01 volume  0.79250E-03 ppm1      8.543 ppm2      2.476 CV     1
 ASSI { 1087}
   (( segid "PX14" and resid 63   and name HN  ))
   (( segid "PX14" and resid 63   and name HB  ))
      2.300     2.300     3.700 peak  1087 spectrum    3 weight  0.11000E+01 volume  0.88415E-02 ppm1      8.542 ppm2      1.889 CV     1
 ASSI { 1090}
   (  segid "PX14" and resid 41   and name HG2%)
   (( segid "PX14" and resid 35   and name HZ  ))
      4.100     4.100     1.900 peak  1090 spectrum    3 weight  0.11000E+01 volume  0.55656E-03 ppm1     -0.400 ppm2      5.604 CV     1
 ASSI { 1091}
   (( segid "PX14" and resid 49   and name HA  ))
   (( segid "PX14" and resid 35   and name HZ  ))
      4.300     4.300     1.700 peak  1091 spectrum    3 weight  0.11000E+01 volume  0.26606E-03 ppm1      3.932 ppm2      5.601 CV     1
 ASSI { 1092}
   (( segid "PX05" and resid 104  and name HA  ))
   (( segid "PX14" and resid 35   and name HZ  ))
      4.600     4.600     1.400 peak  1092 spectrum    3 weight  0.11000E+01 volume  0.56262E-03 ppm1      4.086 ppm2      5.601 CV     1
 ASSI { 1094}
   (( segid "PX14" and resid 56   and name HN  ))
   (( segid "PX14" and resid 56   and name HD1 ))
      6.000     6.000     0.000 peak  1094 spectrum    3 weight  0.11000E+01 volume  0.46494E-04 ppm1      6.945 ppm2      0.805 CV     1
 ASSI { 1095}
   (( segid "PX14" and resid 56   and name HN  ))
   (( segid "PX14" and resid 55   and name HB1 ))
      3.400     3.400     2.600 peak  1095 spectrum    3 weight  0.11000E+01 volume  0.91689E-03 ppm1      6.947 ppm2      1.712 CV     1
 ASSI { 1096}
   (( segid "PX14" and resid 56   and name HN  ))
   (( segid "PX14" and resid 53   and name HA  ))
      4.200     4.200     1.800 peak  1096 spectrum    3 weight  0.11000E+01 volume  0.25234E-03 ppm1      6.949 ppm2      3.473 CV     1
 ASSI { 1097}
   (( segid "PX14" and resid 56   and name HN  ))
   (( segid "PX14" and resid 56   and name HA  ))
      3.400     3.400     2.600 peak  1097 spectrum    3 weight  0.11000E+01 volume  0.75822E-03 ppm1      6.948 ppm2      3.784 CV     1
 ASSI { 1098}
   (( segid "PX14" and resid 56   and name HN  ))
   (( segid "PX14" and resid 55   and name HA  ))
      4.400     4.400     1.600 peak  1098 spectrum    3 weight  0.11000E+01 volume  0.22178E-03 ppm1      6.946 ppm2      3.879 CV     1
 ASSI { 1100}
   (( segid "PX14" and resid 34   and name HN  ))
   (( segid "PX14" and resid 31   and name HB  ))
      3.700     3.700     2.300 peak  1100 spectrum    3 weight  0.11000E+01 volume  0.97761E-03 ppm1      7.055 ppm2      3.527 CV     1
 ASSI { 1101}
   (( segid "PX14" and resid 34   and name HN  ))
   (( segid "PX14" and resid 33   and name HA  ))
      4.200     4.200     1.800 peak  1101 spectrum    3 weight  0.11000E+01 volume  0.27666E-03 ppm1      7.054 ppm2      3.294 CV     1
 ASSI { 1106}
   (( segid "PX14" and resid 31   and name HB  ))
   (  segid "PX14" and resid 30   and name HB% )
      4.100     4.100     1.900 peak  1106 spectrum    3 weight  0.11000E+01 volume  0.83142E-03 ppm1      3.502 ppm2      1.350 CV     1
 ASSI { 1107}
   (( segid "PX14" and resid 58   and name HN  ))
   (( segid "PX14" and resid 54   and name HA  ))
      3.400     3.400     2.600 peak  1107 spectrum    3 weight  0.11000E+01 volume  0.85450E-03 ppm1      7.400 ppm2      4.153 CV     1
 ASSI { 1109}
   (( segid "PX14" and resid 58   and name HN  ))
   (( segid "PX14" and resid 58   and name HG  ))
      3.800     3.800     2.200 peak  1109 spectrum    3 weight  0.11000E+01 volume  0.41895E-03 ppm1      7.401 ppm2      1.674 CV     1
 ASSI { 1111}
   (( segid "PX14" and resid 58   and name HN  ))
   (( segid "PX14" and resid 58   and name HB2 ))
      2.500     2.500     3.500 peak  1111 spectrum    3 weight  0.11000E+01 volume  0.31239E-02 ppm1      7.401 ppm2      1.109 CV     1
 ASSI { 1112}
   (( segid "PX14" and resid 58   and name HN  ))
   (  segid "PX14" and resid 58   and name HD2%)
      3.000     3.000     3.000 peak  1112 spectrum    3 weight  0.11000E+01 volume  0.42904E-02 ppm1      7.401 ppm2      0.902 CV     1
 ASSI { 1114}
   (( segid "PX14" and resid 58   and name HN  ))
   (  segid "PX14" and resid 58   and name HD1%)
      3.400     3.400     2.600 peak  1114 spectrum    3 weight  0.11000E+01 volume  0.12878E-02 ppm1      7.401 ppm2      0.714 CV     1
 ASSI { 1117}
   (( segid "PX14" and resid 66   and name HN  ))
   (  segid "PX14" and resid 66   and name HB% )
      2.600     2.600     3.400 peak  1117 spectrum    3 weight  0.11000E+01 volume  0.42002E-02 ppm1      8.560 ppm2      1.317 CV     1
 ASSI { 1118}
   (( segid "PX14" and resid 66   and name HN  ))
   (  segid "PX14" and resid 29   and name HG2%)
      3.200     3.200     2.800 peak  1118 spectrum    3 weight  0.11000E+01 volume  0.15043E-02 ppm1      8.559 ppm2      0.748 CV     1
 ASSI { 1119}
   (( segid "PX14" and resid 63   and name HN  ))
   (  segid "PX14" and resid 63   and name HD1%)
      3.800     3.800     2.200 peak  1119 spectrum    3 weight  0.11000E+01 volume  0.12847E-02 ppm1      8.543 ppm2      0.801 CV     1
 ASSI { 1120}
   (( segid "PX14" and resid 63   and name HN  ))
   (  segid "PX14" and resid 58   and name HD1%)
      3.200     3.200     2.800 peak  1120 spectrum    3 weight  0.11000E+01 volume  0.58772E-03 ppm1      8.543 ppm2      0.713 CV     1
 ASSI { 1121}
   (( segid "PX14" and resid 63   and name HN  ))
   (  segid "PX14" and resid 63   and name HG2%)
      3.100     3.100     2.900 peak  1121 spectrum    3 weight  0.11000E+01 volume  0.20356E-02 ppm1      8.542 ppm2      0.643 CV     1
 ASSI { 1122}
   (( segid "PX14" and resid 66   and name HN  ))
   (  segid "PX14" and resid 36   and name HD2%)
      6.000     6.000     0.000 peak  1122 spectrum    3 weight  0.11000E+01 volume  0.69609E-04 ppm1      8.559 ppm2      0.176 CV     1
 ASSI { 1124}
   (( segid "PX14" and resid 66   and name HN  ))
   (  segid "PX14" and resid 32   and name HB% )
      4.900     4.900     1.100 peak  1124 spectrum    3 weight  0.11000E+01 volume  0.29326E-03 ppm1      8.558 ppm2      1.599 CV     1
 ASSI { 1125}
   (( segid "PX14" and resid 65   and name HN  ))
   (( segid "PX14" and resid 65   and name HG2 ))
      3.800     3.800     2.200 peak  1125 spectrum    3 weight  0.11000E+01 volume  0.92320E-03 ppm1      8.038 ppm2      2.502 CV     1
 ASSI { 1127}
   (( segid "PX05" and resid 108  and name HB1 ))
   (  segid "PX05" and resid 108  and name HD2%)
      3.500     3.500     2.500 peak  1127 spectrum    3 weight  0.11000E+01 volume  0.64069E-03 ppm1      1.753 ppm2      0.743 CV     1
 ASSI { 1132}
   (  segid "PX14" and resid 52   and name HE% )
   (  segid "PX14" and resid 35   and name HE% )
      2.900     2.900     3.100 peak  1132 spectrum    3 weight  0.11000E+01 volume  0.28034E-02 ppm1      6.895 ppm2      6.618 CV     1
 ASSI { 1133}
   (  segid "PX14" and resid 52   and name HE% )
   (( segid "PX05" and resid 103  and name HE3 ))
      3.000     3.000     3.000 peak  1133 spectrum    3 weight  0.11000E+01 volume  0.15407E-02 ppm1      6.895 ppm2      6.646 CV     1
 ASSI { 1136}
   (( segid "PX05" and resid 103  and name HB1 ))
   (  segid "PX14" and resid 52   and name HE% )
      4.000     2.000     2.000 peak  1136 spectrum    3 weight  0.11000E+01 volume  0.22647E-03 ppm1      3.383 ppm2      6.917 CV     1
 ASSI { 1141}
   (( segid "PX14" and resid 52   and name HB2 ))
   (  segid "PX14" and resid 52   and name HE% )
      4.700     2.800     1.300 peak  1141 spectrum    3 weight  0.11000E+01 volume  0.42305E-03 ppm1      2.988 ppm2      6.916 CV     1
 ASSI { 1144}
   (  segid "PX14" and resid 52   and name HE% )
   (( segid "PX05" and resid 103  and name HB2 ))
      4.500     2.500     1.500 peak  1144 spectrum    3 weight  0.11000E+01 volume  0.87221E-03 ppm1      6.893 ppm2      2.969 CV     1
 ASSI { 1145}
   (  segid "PX14" and resid 52   and name HE% )
   (( segid "PX05" and resid 106  and name HB1 ))
      3.000     3.000     3.000 peak  1145 spectrum    3 weight  0.11000E+01 volume  0.26374E-02 ppm1      6.894 ppm2      2.346 CV     1
 ASSI { 1146}
   (  segid "PX14" and resid 52   and name HE% )
   (( segid "PX05" and resid 106  and name HG2 ))
      4.500     4.500     1.500 peak  1146 spectrum    3 weight  0.11000E+01 volume  0.67663E-03 ppm1      6.893 ppm2      2.260 CV     1
 ASSI { 1147}
   (  segid "PX14" and resid 52   and name HE% )
   (( segid "PX05" and resid 107  and name HB2 ))
      4.000     2.000     2.000 peak  1147 spectrum    3 weight  0.11000E+01 volume  0.28932E-03 ppm1      6.894 ppm2      2.102 CV     1
 ASSI { 1150}
   (( segid "PX05" and resid 103  and name HA  ))
   (  segid "PX14" and resid 52   and name HE% )
      3.800     1.800     1.800 peak  1150 spectrum    3 weight  0.11000E+01 volume  0.81867E-03 ppm1      4.723 ppm2      6.915 CV     1
 ASSI { 1152}
   (( segid "PX14" and resid 52   and name HZ  ))
   (  segid "PX14" and resid 52   and name HE% )
      3.700     1.700     1.700 peak  1152 spectrum    3 weight  0.11000E+01 volume  0.40827E-03 ppm1      7.176 ppm2      6.918 CV     1
 ASSI { 1153}
   (( segid "PX14" and resid 52   and name HZ  ))
   (( segid "PX05" and resid 106  and name HB1 ))
      4.900     4.900     1.100 peak  1153 spectrum    3 weight  0.11000E+01 volume  0.36173E-03 ppm1      7.177 ppm2      2.344 CV     1
 ASSI { 1154}
   (( segid "PX14" and resid 52   and name HZ  ))
   (( segid "PX05" and resid 106  and name HG2 ))
      5.700     5.700     0.300 peak  1154 spectrum    3 weight  0.11000E+01 volume  0.12342E-03 ppm1      7.177 ppm2      2.246 CV     1
 ASSI { 1155}
   (( segid "PX14" and resid 52   and name HZ  ))
   (( segid "PX05" and resid 106  and name HG1 ))
      5.900     5.900     0.100 peak  1155 spectrum    3 weight  0.11000E+01 volume  0.77029E-04 ppm1      7.173 ppm2      2.534 CV     1
 ASSI { 1159}
   (( segid "PX14" and resid 23   and name HB2 ))
   (( segid "PX14" and resid 23   and name HA  ))
      3.100     3.100     2.900 peak  1159 spectrum    3 weight  0.11000E+01 volume  0.14339E-02 ppm1      1.561 ppm2      4.596 CV     1
 ASSI { 1162}
   (( segid "PX14" and resid 53   and name HA  ))
   (( segid "PX14" and resid 56   and name HG2 ))
      5.200     5.200     0.800 peak  1162 spectrum    3 weight  0.11000E+01 volume  0.73017E-04 ppm1      3.447 ppm2     -1.171 CV     1
 ASSI { 1165}
   (( segid "PX14" and resid 53   and name HA  ))
   (( segid "PX14" and resid 56   and name HG1 ))
      4.300     4.300     1.700 peak  1165 spectrum    3 weight  0.11000E+01 volume  0.49596E-03 ppm1      3.447 ppm2     -0.093 CV     1
 ASSI { 1166}
   (( segid "PX14" and resid 49   and name HA  ))
   (  segid "PX14" and resid 36   and name HD1%)
      3.400     3.400     2.600 peak  1166 spectrum    3 weight  0.11000E+01 volume  0.15782E-02 ppm1      3.930 ppm2      0.554 CV     1
 ASSI { 1167}
   (( segid "PX05" and resid 104  and name HA  ))
   (  segid "PX14" and resid 41   and name HG2%)
      4.700     4.700     1.300 peak  1167 spectrum    3 weight  0.11000E+01 volume  0.12866E-03 ppm1      4.088 ppm2     -0.376 CV     1
 ASSI { 1169}
   (( segid "PX14" and resid 32   and name HA  ))
   (  segid "PX14" and resid 31   and name HG2%)
      3.900     3.900     2.100 peak  1169 spectrum    3 weight  0.11000E+01 volume  0.46815E-03 ppm1      4.193 ppm2     -0.090 CV     1
 ASSI { 1170}
   (( segid "PX14" and resid 32   and name HA  ))
   (  segid "PX14" and resid 36   and name HD2%)
      5.100     5.100     0.900 peak  1170 spectrum    3 weight  0.11000E+01 volume  0.12946E-03 ppm1      4.165 ppm2      0.174 CV     1
 ASSI { 1171}
   (( segid "PX14" and resid 35   and name HA  ))
   (  segid "PX14" and resid 36   and name HD2%)
      5.700     5.700     0.300 peak  1171 spectrum    3 weight  0.11000E+01 volume  0.13509E-03 ppm1      4.234 ppm2      0.174 CV     1
 ASSI { 1182}
   (  segid "PX14" and resid 32   and name HB% )
   (  segid "PX14" and resid 36   and name HD2%)
      4.100     4.100     1.900 peak  1182 spectrum    3 weight  0.11000E+01 volume  0.42159E-03 ppm1      1.574 ppm2      0.175 CV     1
 ASSI { 1187}
   (( segid "PX14" and resid 35   and name HA  ))
   (( segid "PX14" and resid 35   and name HN  ))
      3.400     3.400     2.600 peak  1187 spectrum    3 weight  0.11000E+01 volume  0.82424E-03 ppm1      4.238 ppm2      8.001 CV     1
 ASSI { 1190}
   (( segid "PX05" and resid 104  and name HA  ))
   (  segid "PX14" and resid 35   and name HE% )
      2.400     2.400     3.600 peak  1190 spectrum    3 weight  0.11000E+01 volume  0.36799E-02 ppm1      4.086 ppm2      6.612 CV     1
 ASSI { 1195}
   (( segid "PX14" and resid 41   and name HA  ))
   (  segid "PX05" and resid 108  and name HD1%)
      3.400     3.400     2.600 peak  1195 spectrum    3 weight  0.11000E+01 volume  0.16153E-02 ppm1      3.295 ppm2      0.742 CV     1
 ASSI { 1201}
   (( segid "PX05" and resid 106  and name HB1 ))
   (  segid "PX14" and resid 52   and name HD% )
      3.900     3.900     2.100 peak  1201 spectrum    3 weight  0.11000E+01 volume  0.11297E-02 ppm1      2.323 ppm2      6.914 CV     1
 ASSI { 1206}
   (( segid "PX14" and resid 49   and name HD2 ))
   (  segid "PX14" and resid 67   and name HE% )
      3.900     3.900     2.100 peak  1206 spectrum    3 weight  0.11000E+01 volume  0.29638E-03 ppm1      2.653 ppm2      7.049 CV     1
 ASSI { 1208}
   (( segid "PX14" and resid 49   and name HD2 ))
   (( segid "PX14" and resid 67   and name HZ  ))
      4.600     4.600     1.400 peak  1208 spectrum    3 weight  0.11000E+01 volume  0.31901E-03 ppm1      2.652 ppm2      6.936 CV     1
 ASSI { 1217}
   (( segid "PX14" and resid 53   and name HG  ))
   (( segid "PX14" and resid 53   and name HN  ))
      3.100     1.200     1.200 peak  1217 spectrum    3 weight  0.11000E+01 volume  0.10421E-02 ppm1      1.199 ppm2      7.480 CV     1
 ASSI { 1218}
   (  segid "PX14" and resid 53   and name HD2%)
   (( segid "PX14" and resid 53   and name HN  ))
      3.700     3.700     2.300 peak  1218 spectrum    3 weight  0.11000E+01 volume  0.89576E-03 ppm1      0.913 ppm2      7.480 CV     1
 ASSI { 1230}
   (  segid "PX14" and resid 41   and name HG2%)
   (  segid "PX05" and resid 108  and name HD1%)
      4.500     4.500     1.500 peak  1230 spectrum    3 weight  0.11000E+01 volume  0.20648E-03 ppm1     -0.402 ppm2      0.797 CV     1
 ASSI { 1231}
   (  segid "PX14" and resid 41   and name HG2%)
   (  segid "PX05" and resid 108  and name HD2%)
      5.100     5.100     0.900 peak  1231 spectrum    3 weight  0.11000E+01 volume  0.84537E-04 ppm1     -0.398 ppm2      0.743 CV     1
 ASSI {    1}
   (( segid "PX05" and resid 110  and name HN  ))
   (( segid "PX05" and resid 110  and name HA  ))
      2.600     0.900     0.900 peak     1 spectrum    4 weight  0.11000E+01 volume  0.54514E-02 ppm1      7.662 ppm2      4.332 CV     1
 ASSI {    1}
   (( segid "PX05" and resid 109  and name HN  ))
   (( segid "PX05" and resid 109  and name HA  ))
      2.600     0.900     0.900 peak     1 spectrum    4 weight  0.11000E+01 volume  0.52390E-02 ppm1      7.640 ppm2      4.316 CV     1
 ASSI {    2}
   (( segid "PX05" and resid 109  and name HN  ))
   (( segid "PX05" and resid 108  and name HA  ))
      3.400     1.400     1.400 peak     2 spectrum    4 weight  0.11000E+01 volume  0.12543E-02 ppm1      7.639 ppm2      4.051 CV     1
 ASSI {    3}
   (( segid "PX05" and resid 108  and name HN  ))
   (( segid "PX05" and resid 108  and name HA  ))
      3.500     1.500     1.500 peak     3 spectrum    4 weight  0.11000E+01 volume  0.72984E-03 ppm1      8.423 ppm2      4.041 CV     1
 ASSI {    4}
   (( segid "PX05" and resid 111  and name HN  ))
   (( segid "PX05" and resid 110  and name HA  ))
      3.500     1.600     1.600 peak     4 spectrum    4 weight  0.11000E+01 volume  0.10842E-02 ppm1      8.025 ppm2      4.347 CV     1
 ASSI {    5}
   (( segid "PX05" and resid 111  and name HN  ))
   (( segid "PX05" and resid 111  and name HA1 ))
      2.800     1.000     1.000 peak     5 spectrum    4 weight  0.11000E+01 volume  0.21548E-02 ppm1      8.032 ppm2      4.030 CV     1
 ASSI {    6}
   (( segid "PX05" and resid 111  and name HN  ))
   (( segid "PX05" and resid 111  and name HA2 ))
      3.800     1.800     1.800 peak     6 spectrum    4 weight  0.11000E+01 volume  0.10114E-02 ppm1      8.028 ppm2      3.937 CV     1
 ASSI {    7}
   (( segid "PX05" and resid 112  and name HN  ))
   (( segid "PX05" and resid 111  and name HA2 ))
      4.900     3.000     1.100 peak     7 spectrum    4 weight  0.11000E+01 volume  0.29707E-03 ppm1      7.894 ppm2      3.942 CV     1
 ASSI {    8}
   (( segid "PX05" and resid 112  and name HN  ))
   (( segid "PX05" and resid 111  and name HA1 ))
      4.300     2.300     1.700 peak     8 spectrum    4 weight  0.11000E+01 volume  0.24718E-03 ppm1      7.890 ppm2      4.029 CV     1
 ASSI {    9}
   (( segid "PX05" and resid 112  and name HN  ))
   (( segid "PX05" and resid 112  and name HA  ))
      3.700     1.700     1.700 peak     9 spectrum    4 weight  0.11000E+01 volume  0.72702E-03 ppm1      7.888 ppm2      4.469 CV     1
 ASSI {   10}
   (( segid "PX05" and resid 107  and name HN  ))
   (( segid "PX05" and resid 107  and name HA  ))
      2.900     1.100     1.100 peak    10 spectrum    4 weight  0.11000E+01 volume  0.22665E-02 ppm1      8.831 ppm2      3.918 CV     1
 ASSI {   11}
   (( segid "PX05" and resid 105  and name HN  ))
   (( segid "PX05" and resid 104  and name HA  ))
      3.900     1.900     1.900 peak    11 spectrum    4 weight  0.11000E+01 volume  0.37280E-03 ppm1      8.180 ppm2      4.231 CV     1
 ASSI {   12}
   (( segid "PX05" and resid 102  and name HN  ))
   (( segid "PX05" and resid 101  and name HA  ))
      3.700     1.700     1.700 peak    12 spectrum    4 weight  0.11000E+01 volume  0.84698E-03 ppm1      8.181 ppm2      4.386 CV     1
 ASSI {   13}
   (( segid "PX05" and resid 103  and name HE3 ))
   (( segid "PX05" and resid 103  and name HZ3 ))
      2.300     0.700     0.700 peak    13 spectrum    4 weight  0.11000E+01 volume  0.69280E-02 ppm1      6.763 ppm2      6.481 CV     1
 ASSI {   14}
   (( segid "PX05" and resid 103  and name HH2 ))
   (( segid "PX05" and resid 103  and name HZ3 ))
      2.300     0.700     0.700 peak    14 spectrum    4 weight  0.11000E+01 volume  0.76050E-02 ppm1      6.996 ppm2      6.479 CV     1
 ASSI {   16}
   (( segid "PX05" and resid 103  and name HZ2 ))
   (( segid "PX05" and resid 103  and name HH2 ))
      2.200     0.600     0.600 peak    16 spectrum    4 weight  0.11000E+01 volume  0.14075E-01 ppm1      7.474 ppm2      6.984 CV     1
 ASSI {   18}
   (  segid "PX05" and resid 107  and name HE% )
   (  segid "PX05" and resid 107  and name HD% )
      1.900     0.500     0.500 peak    18 spectrum    4 weight  0.11000E+01 volume  0.19042E-01 ppm1      7.382 ppm2      6.889 CV     1
 ASSI {   19}
   (( segid "PX05" and resid 103  and name HE1 ))
   (( segid "PX05" and resid 103  and name HD1 ))
      3.000     1.100     1.100 peak    19 spectrum    4 weight  0.11000E+01 volume  0.21924E-02 ppm1     10.193 ppm2      7.313 CV     1
 ASSI {   20}
   (( segid "PX05" and resid 103  and name HE1 ))
   (( segid "PX05" and resid 103  and name HZ2 ))
      3.400     1.400     1.400 peak    20 spectrum    4 weight  0.11000E+01 volume  0.12039E-02 ppm1     10.193 ppm2      7.460 CV     1
 ASSI {   21}
   (( segid "PX05" and resid 106  and name HN  ))
   (( segid "PX05" and resid 106  and name HA  ))
      2.800     1.000     1.000 peak    21 spectrum    4 weight  0.11000E+01 volume  0.27841E-02 ppm1      8.323 ppm2      4.141 CV     1
 ASSI {   22}
   (( segid "PX05" and resid 105  and name HN  ))
   (( segid "PX05" and resid 105  and name HA  ))
      2.800     0.900     0.900 peak    22 spectrum    4 weight  0.11000E+01 volume  0.37569E-02 ppm1      8.179 ppm2      4.109 CV     1
 ASSI {   23}
   (( segid "PX05" and resid 105  and name HN  ))
   (( segid "PX05" and resid 105  and name HB1 ))
      2.400     0.700     0.700 peak    23 spectrum    4 weight  0.11000E+01 volume  0.62001E-02 ppm1      8.180 ppm2      2.349 CV     1
 ASSI {   24}
   (( segid "PX05" and resid 105  and name HN  ))
   (( segid "PX05" and resid 105  and name HG2 ))
      4.500     4.500     1.500 peak    24 spectrum    4 weight  0.11000E+01 volume  0.80330E-03 ppm1      8.181 ppm2      2.586 CV     1
 ASSI {   25}
   (( segid "PX05" and resid 105  and name HN  ))
   (( segid "PX05" and resid 105  and name HG1 ))
      4.300     4.300     1.700 peak    25 spectrum    4 weight  0.11000E+01 volume  0.11381E-02 ppm1      8.179 ppm2      2.685 CV     1
 ASSI {   26}
   (( segid "PX05" and resid 107  and name HN  ))
   (( segid "PX05" and resid 107  and name HB1 ))
      2.500     0.800     0.800 peak    26 spectrum    4 weight  0.11000E+01 volume  0.37904E-02 ppm1      8.830 ppm2      3.011 CV     1
 ASSI {   27}
   (( segid "PX05" and resid 107  and name HN  ))
   (( segid "PX05" and resid 107  and name HB2 ))
      2.700     0.900     0.900 peak    27 spectrum    4 weight  0.11000E+01 volume  0.33972E-02 ppm1      8.830 ppm2      2.232 CV     1
 ASSI {   28}
   (( segid "PX05" and resid 102  and name HN  ))
   (( segid "PX05" and resid 102  and name HB1 ))
      3.300     1.400     1.400 peak    28 spectrum    4 weight  0.11000E+01 volume  0.13789E-02 ppm1      8.176 ppm2      3.211 CV     1
 ASSI {   29}
   (( segid "PX05" and resid 102  and name HN  ))
   (( segid "PX05" and resid 102  and name HB2 ))
      2.900     1.000     1.000 peak    29 spectrum    4 weight  0.11000E+01 volume  0.22718E-02 ppm1      8.179 ppm2      3.127 CV     1
 ASSI {   30}
   (( segid "PX05" and resid 102  and name HN  ))
   (( segid "PX05" and resid 102  and name HA  ))
      2.800     1.000     1.000 peak    30 spectrum    4 weight  0.11000E+01 volume  0.33602E-02 ppm1      8.178 ppm2      4.716 CV     1
 ASSI {   31}
   (( segid "PX05" and resid 104  and name HN  ))
   (( segid "PX05" and resid 104  and name HA  ))
      2.900     1.000     1.000 peak    31 spectrum    4 weight  0.11000E+01 volume  0.19239E-02 ppm1      8.659 ppm2      4.230 CV     1
 ASSI {   32}
   (( segid "PX05" and resid 104  and name HN  ))
   (  segid "PX05" and resid 104  and name HB% )
      2.400     2.400     3.600 peak    32 spectrum    4 weight  0.11000E+01 volume  0.65007E-02 ppm1      8.655 ppm2      1.689 CV     1
 ASSI {   33}
   (( segid "PX05" and resid 101  and name HN  ))
   (( segid "PX05" and resid 101  and name HA  ))
      3.200     1.300     1.300 peak    33 spectrum    4 weight  0.11000E+01 volume  0.13934E-02 ppm1      7.740 ppm2      4.387 CV     1
 ASSI {   34}
   (( segid "PX05" and resid 100  and name HN  ))
   (( segid "PX05" and resid 99   and name HA  ))
      4.100     2.100     1.900 peak    34 spectrum    4 weight  0.11000E+01 volume  0.46672E-03 ppm1      8.214 ppm2      4.157 CV     1
 ASSI {   35}
   (( segid "PX05" and resid 96   and name HN  ))
   (( segid "PX05" and resid 95   and name HA  ))
      2.800     1.000     1.000 peak    35 spectrum    4 weight  0.11000E+01 volume  0.45757E-02 ppm1      8.080 ppm2      4.273 CV     1
 ASSI {   36}
   (( segid "PX05" and resid 96   and name HN  ))
   (( segid "PX05" and resid 96   and name HA  ))
      3.700     1.700     1.700 peak    36 spectrum    4 weight  0.11000E+01 volume  0.63853E-03 ppm1      8.081 ppm2      4.600 CV     1
 ASSI {   37}
   (( segid "PX05" and resid 97   and name HN  ))
   (( segid "PX05" and resid 97   and name HA  ))
      2.900     1.000     1.000 peak    37 spectrum    4 weight  0.11000E+01 volume  0.23869E-02 ppm1      8.142 ppm2      4.235 CV     1
 ASSI {   38}
   (( segid "PX05" and resid 97   and name HN  ))
   (( segid "PX05" and resid 96   and name HA  ))
      2.600     0.800     0.800 peak    38 spectrum    4 weight  0.11000E+01 volume  0.58739E-02 ppm1      8.142 ppm2      4.601 CV     1
 ASSI {   39}
   (( segid "PX05" and resid 103  and name HN  ))
   (( segid "PX05" and resid 103  and name HA  ))
      3.000     1.100     1.100 peak    39 spectrum    4 weight  0.11000E+01 volume  0.18510E-02 ppm1      9.217 ppm2      4.866 CV     1
 ASSI {   40}
   (( segid "PX05" and resid 103  and name HN  ))
   (( segid "PX05" and resid 100  and name HB2 ))
      4.700     2.800     1.300 peak    40 spectrum    4 weight  0.11000E+01 volume  0.62882E-04 ppm1      9.218 ppm2      3.712 CV     1
 ASSI {   41}
   (( segid "PX05" and resid 100  and name HN  ))
   (( segid "PX05" and resid 100  and name HB2 ))
      5.100     3.300     0.900 peak    41 spectrum    4 weight  0.11000E+01 volume  0.85362E-04 ppm1      8.216 ppm2      3.714 CV     1
 ASSI {   42}
   (( segid "PX05" and resid 101  and name HN  ))
   (( segid "PX05" and resid 100  and name HB2 ))
      5.700     4.100     0.300 peak    42 spectrum    4 weight  0.11000E+01 volume  0.49101E-04 ppm1      7.737 ppm2      3.721 CV     1
 ASSI {   43}
   (( segid "PX05" and resid 104  and name HN  ))
   (( segid "PX05" and resid 103  and name HA  ))
      4.500     2.500     1.500 peak    43 spectrum    4 weight  0.11000E+01 volume  0.26922E-03 ppm1      8.659 ppm2      4.875 CV     1
 ASSI {   44}
   (( segid "PX05" and resid 103  and name HN  ))
   (( segid "PX05" and resid 102  and name HB2 ))
      3.000     1.200     1.200 peak    44 spectrum    4 weight  0.11000E+01 volume  0.36622E-02 ppm1      9.219 ppm2      3.102 CV     1
 ASSI {   45}
   (( segid "PX05" and resid 103  and name HN  ))
   (( segid "PX05" and resid 103  and name HB1 ))
      3.700     1.700     1.700 peak    45 spectrum    4 weight  0.11000E+01 volume  0.20379E-02 ppm1      9.215 ppm2      3.517 CV     1
 ASSI {   46}
   (( segid "PX05" and resid 104  and name HN  ))
   (( segid "PX05" and resid 103  and name HB1 ))
      3.300     1.300     1.300 peak    46 spectrum    4 weight  0.11000E+01 volume  0.22431E-02 ppm1      8.658 ppm2      3.523 CV     1
 ASSI {   47}
   (( segid "PX05" and resid 104  and name HN  ))
   (( segid "PX05" and resid 103  and name HB2 ))
      3.100     1.200     1.200 peak    47 spectrum    4 weight  0.11000E+01 volume  0.91226E-03 ppm1      8.661 ppm2      3.101 CV     1
 ASSI {   48}
   (( segid "PX05" and resid 107  and name HN  ))
   (( segid "PX05" and resid 106  and name HA  ))
      3.500     1.500     1.500 peak    48 spectrum    4 weight  0.11000E+01 volume  0.94105E-03 ppm1      8.831 ppm2      4.144 CV     1
 ASSI {   49}
   (( segid "PX05" and resid 107  and name HN  ))
   (( segid "PX05" and resid 104  and name HA  ))
      4.000     2.000     2.000 peak    49 spectrum    4 weight  0.11000E+01 volume  0.33907E-03 ppm1      8.828 ppm2      4.231 CV     1
 ASSI {   51}
   (( segid "PX05" and resid 103  and name HN  ))
   (( segid "PX05" and resid 102  and name HA  ))
      3.600     1.700     1.700 peak    51 spectrum    4 weight  0.11000E+01 volume  0.73366E-03 ppm1      9.213 ppm2      4.716 CV     1
 ASSI {   52}
   (( segid "PX05" and resid 106  and name HN  ))
   (( segid "PX05" and resid 105  and name HA  ))
      3.600     1.600     1.600 peak    52 spectrum    4 weight  0.11000E+01 volume  0.92320E-03 ppm1      8.322 ppm2      4.107 CV     1
 ASSI {   54}
   (( segid "PX05" and resid 102  and name HN  ))
   (( segid "PX05" and resid 101  and name HN  ))
      3.300     1.300     1.300 peak    54 spectrum    4 weight  0.11000E+01 volume  0.10428E-02 ppm1      8.180 ppm2      7.731 CV     1
 ASSI {   56}
   (( segid "PX05" and resid 111  and name HN  ))
   (( segid "PX05" and resid 110  and name HN  ))
      3.600     1.600     1.600 peak    56 spectrum    4 weight  0.11000E+01 volume  0.53213E-03 ppm1      8.032 ppm2      7.655 CV     1
 ASSI {   59}
   (( segid "PX05" and resid 109  and name HN  ))
   (( segid "PX05" and resid 108  and name HN  ))
      2.800     1.000     1.000 peak    59 spectrum    4 weight  0.11000E+01 volume  0.22681E-02 ppm1      7.636 ppm2      8.419 CV     1
 ASSI {   60}
   (( segid "PX05" and resid 108  and name HN  ))
   (( segid "PX05" and resid 107  and name HN  ))
      3.000     1.100     1.100 peak    60 spectrum    4 weight  0.11000E+01 volume  0.14966E-02 ppm1      8.422 ppm2      8.829 CV     1
 ASSI {   63}
   (( segid "PX05" and resid 106  and name HN  ))
   (( segid "PX05" and resid 107  and name HN  ))
      2.800     1.000     1.000 peak    63 spectrum    4 weight  0.11000E+01 volume  0.22555E-02 ppm1      8.326 ppm2      8.827 CV     1
 ASSI {   65}
   (( segid "PX05" and resid 105  and name HN  ))
   (( segid "PX05" and resid 104  and name HN  ))
      2.900     1.000     1.000 peak    65 spectrum    4 weight  0.11000E+01 volume  0.19638E-02 ppm1      8.178 ppm2      8.652 CV     1
 ASSI {   67}
   (( segid "PX05" and resid 106  and name HN  ))
   (( segid "PX05" and resid 105  and name HN  ))
      2.500     0.800     0.800 peak    67 spectrum    4 weight  0.11000E+01 volume  0.53173E-02 ppm1      8.320 ppm2      8.176 CV     1
 ASSI {   69}
   (( segid "PX05" and resid 103  and name HN  ))
   (( segid "PX05" and resid 102  and name HN  ))
      3.400     1.500     1.500 peak    69 spectrum    4 weight  0.11000E+01 volume  0.64600E-03 ppm1      9.216 ppm2      8.174 CV     1
 ASSI {   70}
   (( segid "PX05" and resid 103  and name HN  ))
   (( segid "PX05" and resid 104  and name HN  ))
      3.100     1.200     1.200 peak    70 spectrum    4 weight  0.11000E+01 volume  0.15335E-02 ppm1      9.217 ppm2      8.652 CV     1
 ASSI {   71}
   (( segid "PX05" and resid 103  and name HN  ))
   (( segid "PX05" and resid 103  and name HD1 ))
      3.000     1.200     1.200 peak    71 spectrum    4 weight  0.11000E+01 volume  0.13135E-02 ppm1      9.216 ppm2      7.316 CV     1
 ASSI {   72}
   (( segid "PX05" and resid 108  and name HN  ))
   (  segid "PX05" and resid 107  and name HD% )
      3.400     1.500     1.500 peak    72 spectrum    4 weight  0.11000E+01 volume  0.11977E-02 ppm1      8.425 ppm2      6.893 CV     1
 ASSI {   73}
   (( segid "PX05" and resid 107  and name HN  ))
   (  segid "PX05" and resid 107  and name HD% )
      4.300     2.300     1.700 peak    73 spectrum    4 weight  0.11000E+01 volume  0.99600E-03 ppm1      8.829 ppm2      6.894 CV     1
 ASSI {   76}
   (( segid "PX05" and resid 104  and name HN  ))
   (( segid "PX05" and resid 102  and name HA  ))
      4.100     4.100     1.900 peak    76 spectrum    4 weight  0.11000E+01 volume  0.59691E-03 ppm1      8.655 ppm2      4.386 CV     1
 ASSI {   78}
   (( segid "PX05" and resid 97   and name HA  ))
   (( segid "PX05" and resid 97   and name HG  ))
      2.700     0.900     0.900 peak    78 spectrum    4 weight  0.11000E+01 volume  0.50676E-02 ppm1      4.234 ppm2      1.685 CV     1
 ASSI {   79}
   (( segid "PX05" and resid 98   and name HN  ))
   (( segid "PX05" and resid 98   and name HA  ))
      2.900     1.000     1.000 peak    79 spectrum    4 weight  0.11000E+01 volume  0.28296E-02 ppm1      8.288 ppm2      4.289 CV     1
 ASSI {   80}
   (( segid "PX05" and resid 98   and name HN  ))
   (( segid "PX05" and resid 97   and name HA  ))
      3.100     1.200     1.200 peak    80 spectrum    4 weight  0.11000E+01 volume  0.24816E-02 ppm1      8.288 ppm2      4.235 CV     1
 ASSI {   81}
   (( segid "PX05" and resid 99   and name HN  ))
   (( segid "PX05" and resid 99   and name HA  ))
      3.000     1.100     1.100 peak    81 spectrum    4 weight  0.11000E+01 volume  0.20218E-02 ppm1      8.096 ppm2      4.162 CV     1
 ASSI {   82}
   (( segid "PX05" and resid 99   and name HN  ))
   (( segid "PX05" and resid 98   and name HA  ))
      2.900     1.000     1.000 peak    82 spectrum    4 weight  0.11000E+01 volume  0.37934E-02 ppm1      8.097 ppm2      4.290 CV     1
 ASSI {   83}
   (( segid "PX05" and resid 103  and name HE1 ))
   (  segid "PX05" and resid 99   and name HD1%)
      3.100     1.200     1.200 peak    83 spectrum    4 weight  0.11000E+01 volume  0.19947E-02 ppm1     10.192 ppm2      1.035 CV     1
 ASSI {   84}
   (( segid "PX05" and resid 103  and name HE1 ))
   (  segid "PX05" and resid 99   and name HD2%)
      3.500     3.500     2.500 peak    84 spectrum    4 weight  0.11000E+01 volume  0.10725E-02 ppm1     10.193 ppm2      0.871 CV     1
 ASSI {   85}
   (( segid "PX05" and resid 95   and name HN  ))
   (( segid "PX05" and resid 94   and name HA  ))
      3.300     1.400     1.400 peak    85 spectrum    4 weight  0.11000E+01 volume  0.14008E-02 ppm1      8.502 ppm2      4.176 CV     1
 ASSI {   86}
   (( segid "PX05" and resid 95   and name HN  ))
   (( segid "PX05" and resid 95   and name HA  ))
      3.800     1.800     1.800 peak    86 spectrum    4 weight  0.11000E+01 volume  0.55317E-03 ppm1      8.500 ppm2      4.275 CV     1
 ASSI {   87}
   (( segid "PX05" and resid 107  and name HN  ))
   (( segid "PX05" and resid 106  and name HB1 ))
      3.300     1.300     1.300 peak    87 spectrum    4 weight  0.11000E+01 volume  0.30890E-02 ppm1      8.830 ppm2      2.470 CV     1
 ASSI {   88}
   (( segid "PX05" and resid 106  and name HN  ))
   (( segid "PX05" and resid 106  and name HB1 ))
      3.100     1.200     1.200 peak    88 spectrum    4 weight  0.11000E+01 volume  0.58708E-02 ppm1      8.324 ppm2      2.470 CV     1
 ASSI {   89}
   (( segid "PX05" and resid 106  and name HN  ))
   (( segid "PX05" and resid 106  and name HG2 ))
      2.600     0.800     0.800 peak    89 spectrum    4 weight  0.11000E+01 volume  0.40283E-02 ppm1      8.323 ppm2      2.348 CV     1
 ASSI {   90}
   (( segid "PX05" and resid 106  and name HN  ))
   (( segid "PX05" and resid 106  and name HG1 ))
      3.300     1.400     1.400 peak    90 spectrum    4 weight  0.11000E+01 volume  0.22002E-02 ppm1      8.322 ppm2      2.675 CV     1
 ASSI {   91}
   (( segid "PX05" and resid 108  and name HN  ))
   (( segid "PX05" and resid 107  and name HB1 ))
      3.000     1.200     1.200 peak    91 spectrum    4 weight  0.11000E+01 volume  0.80418E-03 ppm1      8.422 ppm2      3.023 CV     1
 ASSI {   92}
   (( segid "PX05" and resid 108  and name HN  ))
   (( segid "PX05" and resid 107  and name HB2 ))
      5.000     3.100     1.000 peak    92 spectrum    4 weight  0.11000E+01 volume  0.41000E-03 ppm1      8.422 ppm2      2.237 CV     1
 ASSI {   93}
   (( segid "PX05" and resid 108  and name HN  ))
   (( segid "PX05" and resid 108  and name HG  ))
      2.400     0.700     0.700 peak    93 spectrum    4 weight  0.11000E+01 volume  0.41071E-02 ppm1      8.422 ppm2      2.108 CV     1
 ASSI {   94}
   (( segid "PX05" and resid 108  and name HN  ))
   (( segid "PX05" and resid 108  and name HB1 ))
      3.600     1.600     1.600 peak    94 spectrum    4 weight  0.11000E+01 volume  0.25693E-02 ppm1      8.425 ppm2      1.900 CV     1
 ASSI {   95}
   (( segid "PX05" and resid 108  and name HN  ))
   (( segid "PX05" and resid 108  and name HB2 ))
      2.500     0.800     0.800 peak    95 spectrum    4 weight  0.11000E+01 volume  0.35845E-02 ppm1      8.423 ppm2      1.571 CV     1
 ASSI {   96}
   (( segid "PX05" and resid 108  and name HN  ))
   (  segid "PX05" and resid 108  and name HD1%)
      4.100     2.100     1.900 peak    96 spectrum    4 weight  0.11000E+01 volume  0.13476E-02 ppm1      8.420 ppm2      0.919 CV     1
 ASSI {   97}
   (( segid "PX05" and resid 108  and name HN  ))
   (  segid "PX05" and resid 108  and name HD2%)
      4.500     2.500     1.500 peak    97 spectrum    4 weight  0.11000E+01 volume  0.56949E-03 ppm1      8.423 ppm2      0.861 CV     1
 ASSI {   98}
   (( segid "PX05" and resid 98   and name HN  ))
   (  segid "PX05" and resid 98   and name HB% )
      2.600     0.800     0.800 peak    98 spectrum    4 weight  0.11000E+01 volume  0.52221E-02 ppm1      8.288 ppm2      1.493 CV     1
 ASSI {   99}
   (( segid "PX05" and resid 99   and name HN  ))
   (( segid "PX05" and resid 99   and name HB1 ))
      3.000     1.100     1.100 peak    99 spectrum    4 weight  0.11000E+01 volume  0.31477E-02 ppm1      8.098 ppm2      1.490 CV     1
 ASSI {  100}
   (( segid "PX05" and resid 103  and name HZ2 ))
   (  segid "PX05" and resid 99   and name HD1%)
      2.300     2.300     3.700 peak   100 spectrum    4 weight  0.11000E+01 volume  0.41248E-02 ppm1      7.469 ppm2      1.034 CV     1
 ASSI {  103}
   (( segid "PX05" and resid 109  and name HN  ))
   (( segid "PX05" and resid 108  and name HB2 ))
      2.200     0.600     0.600 peak   103 spectrum    4 weight  0.11000E+01 volume  0.87959E-02 ppm1      7.638 ppm2      1.553 CV     1
 ASSI {  104}
   (( segid "PX05" and resid 109  and name HN  ))
   (( segid "PX05" and resid 108  and name HB1 ))
      4.100     2.100     1.900 peak   104 spectrum    4 weight  0.11000E+01 volume  0.88489E-03 ppm1      7.634 ppm2      1.898 CV     1
 ASSI {  105}
   (( segid "PX05" and resid 101  and name HN  ))
   (( segid "PX05" and resid 101  and name HB1 ))
      2.700     0.900     0.900 peak   105 spectrum    4 weight  0.11000E+01 volume  0.46357E-02 ppm1      7.739 ppm2      2.225 CV     1
 ASSI {  106}
   (( segid "PX05" and resid 102  and name HN  ))
   (( segid "PX05" and resid 101  and name HB1 ))
      2.900     1.000     1.000 peak   106 spectrum    4 weight  0.11000E+01 volume  0.22084E-02 ppm1      8.178 ppm2      2.225 CV     1
 ASSI {  107}
   (( segid "PX05" and resid 110  and name HN  ))
   (  segid "PX05" and resid 110  and name HB% )
      2.800     0.900     0.900 peak   107 spectrum    4 weight  0.11000E+01 volume  0.36142E-02 ppm1      7.661 ppm2      1.488 CV     1
 ASSI {  108}
   (( segid "PX05" and resid 96   and name HN  ))
   (( segid "PX05" and resid 96   and name HB2 ))
      3.000     1.100     1.100 peak   108 spectrum    4 weight  0.11000E+01 volume  0.18399E-02 ppm1      8.082 ppm2      2.593 CV     1
 ASSI {  110}
   (( segid "PX05" and resid 95   and name HN  ))
   (  segid "PX05" and resid 95   and name HB% )
      3.600     1.600     1.600 peak   110 spectrum    4 weight  0.11000E+01 volume  0.76439E-03 ppm1      8.505 ppm2      1.376 CV     1
 ASSI {  111}
   (( segid "PX05" and resid 96   and name HN  ))
   (( segid "PX05" and resid 96   and name HB1 ))
      3.600     1.600     1.600 peak   111 spectrum    4 weight  0.11000E+01 volume  0.13685E-02 ppm1      8.081 ppm2      1.376 CV     1
 ASSI {  112}
   (( segid "PX05" and resid 103  and name HD1 ))
   (( segid "PX05" and resid 103  and name HB2 ))
      3.000     3.000     3.000 peak   112 spectrum    4 weight  0.11000E+01 volume  0.25309E-02 ppm1      7.322 ppm2      3.100 CV     1
 ASSI {  113}
   (( segid "PX05" and resid 103  and name HD1 ))
   (( segid "PX05" and resid 102  and name HB1 ))
      3.200     3.200     2.800 peak   113 spectrum    4 weight  0.11000E+01 volume  0.10956E-02 ppm1      7.324 ppm2      3.211 CV     1
 ASSI {  114}
   (( segid "PX05" and resid 103  and name HD1 ))
   (( segid "PX05" and resid 103  and name HB1 ))
      4.500     4.500     1.500 peak   114 spectrum    4 weight  0.11000E+01 volume  0.47462E-03 ppm1      7.322 ppm2      3.528 CV     1
 ASSI {  115}
   (( segid "PX05" and resid 103  and name HD1 ))
   (( segid "PX05" and resid 103  and name HA  ))
      2.500     2.500     3.500 peak   115 spectrum    4 weight  0.11000E+01 volume  0.61729E-02 ppm1      7.322 ppm2      4.865 CV     1
 ASSI {  116}
   (( segid "PX05" and resid 103  and name HN  ))
   (( segid "PX05" and resid 102  and name HB1 ))
      3.700     1.700     1.700 peak   116 spectrum    4 weight  0.11000E+01 volume  0.50769E-03 ppm1      9.214 ppm2      3.212 CV     1
 ASSI {  117}
   (( segid "PX05" and resid 97   and name HN  ))
   (  segid "PX05" and resid 97   and name HD1%)
      5.100     3.300     0.900 peak   117 spectrum    4 weight  0.11000E+01 volume  0.36779E-03 ppm1      8.144 ppm2      0.986 CV     1
 ASSI {  118}
   (( segid "PX05" and resid 97   and name HN  ))
   (  segid "PX05" and resid 97   and name HD2%)
      5.400     3.700     0.600 peak   118 spectrum    4 weight  0.11000E+01 volume  0.19075E-03 ppm1      8.141 ppm2      0.908 CV     1
 ASSI {  119}
   (( segid "PX05" and resid 97   and name HN  ))
   (( segid "PX05" and resid 97   and name HG  ))
      2.300     0.700     0.700 peak   119 spectrum    4 weight  0.11000E+01 volume  0.66729E-02 ppm1      8.142 ppm2      1.730 CV     1
 ASSI {  122}
   (  segid "PX05" and resid 107  and name HD% )
   (( segid "PX05" and resid 107  and name HB1 ))
      2.200     0.600     0.600 peak   122 spectrum    4 weight  0.11000E+01 volume  0.70193E-02 ppm1      6.894 ppm2      3.014 CV     1
 ASSI {  125}
   (( segid "PX05" and resid 103  and name HZ3 ))
   (  segid "PX14" and resid 53   and name HD1%)
      2.300     0.700     0.700 peak   125 spectrum    4 weight  0.11000E+01 volume  0.46998E-02 ppm1      6.487 ppm2      0.846 CV     1
 ASSI {  128}
   (  segid "PX05" and resid 107  and name HE% )
   (( segid "PX14" and resid 41   and name HA  ))
      2.500     0.800     0.800 peak   128 spectrum    4 weight  0.11000E+01 volume  0.50453E-02 ppm1      7.383 ppm2      3.438 CV     1
 ASSI {  129}
   (( segid "PX05" and resid 100  and name HN  ))
   (  segid "PX14" and resid 31   and name HG2%)
      5.400     5.400     0.600 peak   129 spectrum    4 weight  0.11000E+01 volume  0.78546E-04 ppm1      8.213 ppm2      0.018 CV     1
 ASSI {  131}
   (( segid "PX05" and resid 99   and name HN  ))
   (  segid "PX05" and resid 99   and name HD2%)
      4.300     2.300     1.700 peak   131 spectrum    4 weight  0.11000E+01 volume  0.70877E-03 ppm1      8.100 ppm2      0.870 CV     1
 ASSI {  132}
   (( segid "PX05" and resid 99   and name HN  ))
   (  segid "PX05" and resid 99   and name HD1%)
      5.800     4.200     0.200 peak   132 spectrum    4 weight  0.11000E+01 volume  0.13613E-03 ppm1      8.097 ppm2      1.036 CV     1
 ASSI {  133}
   (( segid "PX05" and resid 103  and name HD1 ))
   (  segid "PX05" and resid 99   and name HD2%)
      3.500     3.500     2.500 peak   133 spectrum    4 weight  0.11000E+01 volume  0.13964E-02 ppm1      7.323 ppm2      0.871 CV     1
 ASSI {  134}
   (( segid "PX05" and resid 103  and name HD1 ))
   (  segid "PX05" and resid 99   and name HD1%)
      3.300     3.300     2.700 peak   134 spectrum    4 weight  0.11000E+01 volume  0.18466E-02 ppm1      7.322 ppm2      1.036 CV     1
 ASSI {  147}
   (  segid "PX05" and resid 107  and name HD% )
   (( segid "PX05" and resid 107  and name HB2 ))
      2.500     0.800     0.800 peak   147 spectrum    4 weight  0.11000E+01 volume  0.44338E-02 ppm1      6.895 ppm2      2.230 CV     1
 ASSI {  148}
   (  segid "PX05" and resid 107  and name HD% )
   (( segid "PX05" and resid 104  and name HA  ))
      3.500     1.500     1.500 peak   148 spectrum    4 weight  0.11000E+01 volume  0.20820E-02 ppm1      6.894 ppm2      4.227 CV     1
 ASSI {  149}
   (  segid "PX05" and resid 107  and name HD% )
   (( segid "PX05" and resid 108  and name HA  ))
      3.200     1.200     1.200 peak   149 spectrum    4 weight  0.11000E+01 volume  0.21294E-02 ppm1      6.898 ppm2      4.057 CV     1
 ASSI {  151}
   (  segid "PX05" and resid 107  and name HD% )
   (( segid "PX14" and resid 41   and name HA  ))
      4.600     2.600     1.400 peak   151 spectrum    4 weight  0.11000E+01 volume  0.30252E-03 ppm1      6.901 ppm2      3.434 CV     1
 ASSI {  153}
   (  segid "PX05" and resid 107  and name HD% )
   (( segid "PX05" and resid 108  and name HG  ))
      2.300     0.700     0.700 peak   153 spectrum    4 weight  0.11000E+01 volume  0.52657E-02 ppm1      6.895 ppm2      2.112 CV     1
 ASSI {  154}
   (  segid "PX05" and resid 107  and name HD% )
   (  segid "PX05" and resid 108  and name HD1%)
      3.900     1.900     1.900 peak   154 spectrum    4 weight  0.11000E+01 volume  0.20299E-02 ppm1      6.899 ppm2      0.916 CV     1
 ASSI {  159}
   (( segid "PX05" and resid 103  and name HZ3 ))
   (( segid "PX14" and resid 32   and name HA  ))
      2.500     0.800     0.800 peak   159 spectrum    4 weight  0.11000E+01 volume  0.37809E-02 ppm1      6.487 ppm2      4.335 CV     1
 ASSI {  160}
   (( segid "PX05" and resid 103  and name HE3 ))
   (( segid "PX14" and resid 32   and name HA  ))
      3.600     1.600     1.600 peak   160 spectrum    4 weight  0.11000E+01 volume  0.13270E-02 ppm1      6.765 ppm2      4.336 CV     1
 ASSI {  162}
   (( segid "PX05" and resid 103  and name HE3 ))
   (( segid "PX05" and resid 103  and name HB2 ))
      3.800     1.800     1.800 peak   162 spectrum    4 weight  0.11000E+01 volume  0.14919E-02 ppm1      6.768 ppm2      3.100 CV     1
 ASSI {  163}
   (( segid "PX05" and resid 103  and name HE3 ))
   (( segid "PX05" and resid 103  and name HB1 ))
      2.800     1.000     1.000 peak   163 spectrum    4 weight  0.11000E+01 volume  0.16375E-02 ppm1      6.769 ppm2      3.542 CV     1
 ASSI {  164}
   (( segid "PX05" and resid 103  and name HE3 ))
   (( segid "PX14" and resid 35   and name HB1 ))
      3.200     1.300     1.300 peak   164 spectrum    4 weight  0.11000E+01 volume  0.20818E-02 ppm1      6.765 ppm2      3.698 CV     1
 ASSI {  165}
   (( segid "PX05" and resid 103  and name HE3 ))
   (( segid "PX14" and resid 35   and name HB2 ))
      2.400     0.700     0.700 peak   165 spectrum    4 weight  0.11000E+01 volume  0.43449E-02 ppm1      6.766 ppm2      3.491 CV     1
 ASSI {  169}
   (( segid "PX05" and resid 103  and name HZ2 ))
   (( segid "PX14" and resid 56   and name HG1 ))
      3.800     1.800     1.800 peak   169 spectrum    4 weight  0.11000E+01 volume  0.82605E-03 ppm1      7.466 ppm2      0.013 CV     1
 ASSI {  171}
   (( segid "PX05" and resid 103  and name HZ2 ))
   (( segid "PX14" and resid 56   and name HG2 ))
      4.600     2.600     1.400 peak   171 spectrum    4 weight  0.11000E+01 volume  0.26668E-03 ppm1      7.460 ppm2     -1.029 CV     1
 ASSI {  173}
   (( segid "PX05" and resid 103  and name HZ2 ))
   (( segid "PX14" and resid 56   and name HB2 ))
      5.000     3.100     1.000 peak   173 spectrum    4 weight  0.11000E+01 volume  0.30600E-03 ppm1      7.470 ppm2      1.219 CV     1
 ASSI {  174}
   (( segid "PX05" and resid 103  and name HZ2 ))
   (( segid "PX14" and resid 56   and name HE2 ))
      4.300     2.400     1.700 peak   174 spectrum    4 weight  0.11000E+01 volume  0.79653E-03 ppm1      7.473 ppm2      1.346 CV     1
 ASSI {  175}
   (( segid "PX05" and resid 112  and name HN  ))
   (( segid "PX05" and resid 112  and name HB2 ))
      3.500     1.500     1.500 peak   175 spectrum    4 weight  0.11000E+01 volume  0.11703E-02 ppm1      7.892 ppm2      2.596 CV     1
 ASSI {  176}
   (( segid "PX05" and resid 112  and name HN  ))
   (( segid "PX05" and resid 112  and name HB1 ))
      3.800     1.900     1.900 peak   176 spectrum    4 weight  0.11000E+01 volume  0.62403E-03 ppm1      7.898 ppm2      2.730 CV     1
 ASSI {  177}
   (( segid "PX05" and resid 105  and name HN  ))
   (  segid "PX05" and resid 104  and name HB% )
      2.900     2.900     3.100 peak   177 spectrum    4 weight  0.11000E+01 volume  0.31386E-02 ppm1      8.180 ppm2      1.688 CV     1
 ASSI {  178}
   (  segid "PX05" and resid 107  and name HE% )
   (( segid "PX05" and resid 108  and name HG  ))
      5.300     3.500     0.700 peak   178 spectrum    4 weight  0.11000E+01 volume  0.20989E-03 ppm1      7.384 ppm2      2.113 CV     1
 ASSI {  179}
   (  segid "PX05" and resid 107  and name HE% )
   (( segid "PX05" and resid 107  and name HB2 ))
      5.800     4.100     0.200 peak   179 spectrum    4 weight  0.11000E+01 volume  0.13178E-03 ppm1      7.387 ppm2      2.228 CV     1
 ASSI {  180}
   (( segid "PX05" and resid 100  and name HN  ))
   (  segid "PX05" and resid 99   and name HD2%)
      5.200     3.400     0.800 peak   180 spectrum    4 weight  0.11000E+01 volume  0.26973E-03 ppm1      8.216 ppm2      0.872 CV     1
 ASSI {    9}
   (  segid "PX05" and resid 109  and name HB% )
   (( segid "PX05" and resid 106  and name HA  ))
      2.800     2.800     3.200 peak     9 spectrum    5 weight  0.11000E+01 volume  0.33085E-02 ppm1      1.410 ppm2      4.014 CV     1
 ASSI {   22}
   (( segid "PX05" and resid 94   and name HB  ))
   (( segid "PX05" and resid 94   and name HA  ))
      4.000     4.000     2.000 peak    22 spectrum    5 weight  0.11000E+01 volume  0.42921E-03 ppm1      2.026 ppm2      4.048 CV     1
 ASSI {   32}
   (( segid "PX05" and resid 106  and name HG2 ))
   (( segid "PX05" and resid 106  and name HA  ))
      2.500     2.500     3.500 peak    32 spectrum    5 weight  0.11000E+01 volume  0.57689E-02 ppm1      2.231 ppm2      4.014 CV     1
 ASSI {   35}
   (( segid "PX05" and resid 112  and name HB1 ))
   (( segid "PX05" and resid 112  and name HA  ))
      4.300     4.300     1.700 peak    35 spectrum    5 weight  0.11000E+01 volume  0.42787E-03 ppm1      2.585 ppm2      4.336 CV     1
 ASSI {   36}
   (( segid "PX05" and resid 112  and name HA  ))
   (( segid "PX05" and resid 112  and name HB2 ))
      4.300     2.400     1.700 peak    36 spectrum    5 weight  0.11000E+01 volume  0.26992E-03 ppm1      2.440 ppm2      4.336 CV     1
 ASSI {   37}
   (( segid "PX05" and resid 106  and name HG1 ))
   (( segid "PX05" and resid 106  and name HA  ))
      3.200     3.200     2.800 peak    37 spectrum    5 weight  0.11000E+01 volume  0.38154E-02 ppm1      2.528 ppm2      4.009 CV     1
 ASSI {   41}
   (( segid "PX05" and resid 101  and name HG2 ))
   (( segid "PX05" and resid 101  and name HA  ))
      3.700     3.700     2.300 peak    41 spectrum    5 weight  0.11000E+01 volume  0.10689E-02 ppm1      2.245 ppm2      4.263 CV     1
 ASSI {   42}
   (( segid "PX05" and resid 101  and name HG1 ))
   (( segid "PX05" and resid 101  and name HA  ))
      3.800     3.800     2.200 peak    42 spectrum    5 weight  0.11000E+01 volume  0.51939E-03 ppm1      2.302 ppm2      4.261 CV     1
 ASSI {   45}
   (( segid "PX05" and resid 103  and name HB1 ))
   (( segid "PX05" and resid 103  and name HA  ))
      3.000     3.000     3.000 peak    45 spectrum    5 weight  0.11000E+01 volume  0.15191E-02 ppm1      3.393 ppm2      4.751 CV     1
 ASSI {   46}
   (( segid "PX05" and resid 108  and name HB1 ))
   (( segid "PX05" and resid 108  and name HB2 ))
      1.900     1.900     4.100 peak    46 spectrum    5 weight  0.11000E+01 volume  0.10185E-01 ppm1      1.762 ppm2      1.444 CV     1
 ASSI {   55}
   (( segid "PX05" and resid 108  and name HB1 ))
   (( segid "PX05" and resid 108  and name HG  ))
      3.700     3.700     2.300 peak    55 spectrum    5 weight  0.11000E+01 volume  0.10146E-02 ppm1      1.757 ppm2      1.990 CV     1
 ASSI {   59}
   (( segid "PX05" and resid 96   and name HB1 ))
   (( segid "PX05" and resid 96   and name HB2 ))
      1.900     1.900     4.100 peak    59 spectrum    5 weight  0.11000E+01 volume  0.16542E-01 ppm1      2.660 ppm2      2.452 CV     1
 ASSI {   61}
   (( segid "PX05" and resid 97   and name HG  ))
   (  segid "PX05" and resid 97   and name HD1%)
      2.300     2.300     3.700 peak    61 spectrum    5 weight  0.11000E+01 volume  0.80639E-02 ppm1      1.586 ppm2      0.858 CV     1
 ASSI {   62}
   (( segid "PX05" and resid 97   and name HG  ))
   (  segid "PX05" and resid 97   and name HD2%)
      2.400     2.400     3.600 peak    62 spectrum    5 weight  0.11000E+01 volume  0.70481E-02 ppm1      1.586 ppm2      0.789 CV     1
 ASSI {   65}
   (( segid "PX05" and resid 97   and name HA  ))
   (  segid "PX05" and resid 97   and name HD1%)
      4.200     4.200     1.800 peak    65 spectrum    5 weight  0.11000E+01 volume  0.17315E-02 ppm1      4.089 ppm2      0.857 CV     1
 ASSI {   76}
   (( segid "PX05" and resid 99   and name HB1 ))
   (( segid "PX05" and resid 99   and name HA  ))
      2.500     2.500     3.500 peak    76 spectrum    5 weight  0.11000E+01 volume  0.72259E-02 ppm1      1.323 ppm2      4.036 CV     1
 ASSI {   83}
   (  segid "PX05" and resid 108  and name HD1%)
   (( segid "PX05" and resid 108  and name HA  ))
      4.100     4.100     1.900 peak    83 spectrum    5 weight  0.11000E+01 volume  0.19730E-02 ppm1      0.777 ppm2      3.924 CV     1
 ASSI {   85}
   (  segid "PX05" and resid 94   and name HG1%)
   (( segid "PX05" and resid 94   and name HB  ))
      2.200     2.200     3.800 peak    85 spectrum    5 weight  0.11000E+01 volume  0.15698E-01 ppm1      0.882 ppm2      2.048 CV     1
 ASSI {   99}
   (( segid "PX05" and resid 97   and name HA  ))
   (( segid "PX05" and resid 100  and name HB1 ))
      3.700     3.700     2.300 peak    99 spectrum    5 weight  0.11000E+01 volume  0.68515E-03 ppm1      4.098 ppm2      3.906 CV     1
 ASSI {  102}
   (  segid "PX05" and resid 108  and name HD1%)
   (( segid "PX05" and resid 109  and name HA  ))
      3.000     3.000     3.000 peak   102 spectrum    5 weight  0.11000E+01 volume  0.88227E-03 ppm1      0.785 ppm2      4.190 CV     1
 ASSI {  107}
   (( segid "PX05" and resid 108  and name HG  ))
   (  segid "PX14" and resid 41   and name HG1%)
      3.300     3.300     2.700 peak   107 spectrum    5 weight  0.11000E+01 volume  0.54500E-03 ppm1      1.967 ppm2      0.478 CV     1
 ASSI {  111}
   (( segid "PX05" and resid 100  and name HB2 ))
   (  segid "PX14" and resid 31   and name HG2%)
      3.300     1.300     1.300 peak   111 spectrum    5 weight  0.11000E+01 volume  0.20506E-02 ppm1      3.701 ppm2     -0.094 CV     1
 ASSI {  113}
   (( segid "PX05" and resid 100  and name HA  ))
   (( segid "PX05" and resid 100  and name HB1 ))
      2.400     2.400     3.600 peak   113 spectrum    5 weight  0.11000E+01 volume  0.73789E-02 ppm1      3.566 ppm2      3.899 CV     1
 ASSI {  115}
   (( segid "PX05" and resid 100  and name HA  ))
   (( segid "PX05" and resid 103  and name HB1 ))
      3.500     3.500     2.500 peak   115 spectrum    5 weight  0.11000E+01 volume  0.34812E-02 ppm1      3.565 ppm2      3.401 CV     1
 ASSI {  120}
   (( segid "PX05" and resid 102  and name HB2 ))
   (  segid "PX05" and resid 99   and name HD1%)
      3.400     3.400     2.600 peak   120 spectrum    5 weight  0.11000E+01 volume  0.18839E-02 ppm1      2.983 ppm2      0.911 CV     1
 ASSI {  121}
   (( segid "PX05" and resid 102  and name HB1 ))
   (  segid "PX05" and resid 99   and name HD1%)
      3.600     3.600     2.400 peak   121 spectrum    5 weight  0.11000E+01 volume  0.10711E-02 ppm1      3.073 ppm2      0.910 CV     1
 ASSI {  122}
   (( segid "PX05" and resid 99   and name HB1 ))
   (  segid "PX14" and resid 31   and name HG2%)
      3.000     3.000     3.000 peak   122 spectrum    5 weight  0.11000E+01 volume  0.18591E-02 ppm1      1.323 ppm2     -0.091 CV     1
 ASSI {  124}
   (  segid "PX05" and resid 99   and name HD1%)
   (  segid "PX14" and resid 31   and name HG2%)
      4.100     4.100     1.900 peak   124 spectrum    5 weight  0.11000E+01 volume  0.48559E-03 ppm1      0.893 ppm2     -0.098 CV     1
 ASSI {  126}
   (( segid "PX05" and resid 102  and name HA  ))
   (( segid "PX05" and resid 105  and name HG1 ))
      3.200     3.200     2.800 peak   126 spectrum    5 weight  0.11000E+01 volume  0.50094E-02 ppm1      4.566 ppm2      2.227 CV     1
 ASSI {  127}
   (( segid "PX05" and resid 103  and name HZ3 ))
   (( segid "PX14" and resid 35   and name HB2 ))
      4.600     4.600     1.400 peak   127 spectrum    5 weight  0.11000E+01 volume  0.31178E-03 ppm1      6.349 ppm2      3.378 CV     1
 ASSI {  137}
   (( segid "PX05" and resid 103  and name HH2 ))
   (( segid "PX14" and resid 56   and name HD1 ))
      3.600     3.600     2.400 peak   137 spectrum    5 weight  0.11000E+01 volume  0.33016E-03 ppm1      6.858 ppm2      0.801 CV     1
 ASSI {  143}
   (( segid "PX05" and resid 101  and name HB1 ))
   (  segid "PX05" and resid 104  and name HB% )
      4.900     4.900     1.100 peak   143 spectrum    5 weight  0.11000E+01 volume  0.30821E-03 ppm1      2.087 ppm2      1.566 CV     1
 ASSI {  145}
   (( segid "PX05" and resid 108  and name HG  ))
   (( segid "PX05" and resid 108  and name HA  ))
      3.000     3.000     3.000 peak   145 spectrum    5 weight  0.11000E+01 volume  0.29130E-02 ppm1      1.973 ppm2      3.926 CV     1
 ASSI {  149}
   (( segid "PX05" and resid 103  and name HD1 ))
   (  segid "PX14" and resid 31   and name HG2%)
      4.700     4.700     1.300 peak   149 spectrum    5 weight  0.11000E+01 volume  0.22300E-03 ppm1      7.178 ppm2     -0.088 CV     1
 ASSI {  175}
   (  segid "PX05" and resid 98   and name HB% )
   (( segid "PX05" and resid 95   and name HA  ))
      6.000     6.000     0.000 peak   175 spectrum    5 weight  0.11000E+01 volume  0.00000E+00 ppm1      1.343 ppm2      4.148 CV     1
 ASSI {  176}
   (( segid "PX05" and resid 97   and name HB1 ))
   (( segid "PX05" and resid 94   and name HA  ))
      5.500     5.500     0.500 peak   176 spectrum    5 weight  0.11000E+01 volume  0.23416E-03 ppm1      1.529 ppm2      4.059 CV     1
 ASSI {  188}
   (( segid "PX05" and resid 100  and name HB2 ))
   (( segid "PX05" and resid 100  and name HB1 ))
      2.800     2.800     3.200 peak   188 spectrum    5 weight  0.11000E+01 volume  0.12365E-02 ppm1      3.691 ppm2      3.895 CV     1
 ASSI {  191}
   (( segid "PX05" and resid 100  and name HB2 ))
   (( segid "PX05" and resid 100  and name HA  ))
      3.500     3.500     2.500 peak   191 spectrum    5 weight  0.11000E+01 volume  0.10049E-02 ppm1      3.691 ppm2      3.586 CV     1
 ASSI {  192}
   (( segid "PX05" and resid 100  and name HB1 ))
   (( segid "PX14" and resid 34   and name HB1 ))
      3.900     3.900     2.100 peak   192 spectrum    5 weight  0.11000E+01 volume  0.32065E-03 ppm1      3.880 ppm2      1.884 CV     1
 OR {  192}
   (( segid "PX05" and resid 100  and name HB1 ))
   (( segid "PX14" and resid 34   and name HD1 ))
 ASSI {  193}
   (( segid "PX05" and resid 100  and name HB2 ))
   (( segid "PX14" and resid 34   and name HB1 ))
      4.100     2.100     1.900 peak   193 spectrum    5 weight  0.11000E+01 volume  0.23620E-03 ppm1      3.693 ppm2      1.879 CV     1
 OR {  193}
   (( segid "PX05" and resid 100  and name HB2 ))
   (( segid "PX14" and resid 34   and name HD1 ))
 ASSI {  223}
   (( segid "PX14" and resid 29   and name HA  ))
   (  segid "PX14" and resid 32   and name HB% )
      3.400     3.400     2.600 peak   223 spectrum    2 weight  0.11000E+01 volume  0.95265E-03 ppm1      3.369 ppm2      1.655 CV     1
 OR {  223}
   (( segid "PX14" and resid 29   and name HA  ))
   (( segid "PX14" and resid 29   and name HG11))
 ASSI {  947}
   (  segid "PX14" and resid 66   and name HB% )
   (  segid "PX14" and resid 63   and name HG2%)
      3.900     3.900     2.100 peak   947 spectrum    2 weight  0.11000E+01 volume  0.74158E-03 ppm1      1.295 ppm2      0.636 CV     1
 OR {  947}
   (  segid "PX14" and resid 66   and name HB% )
   (  segid "PX14" and resid 33   and name HG2%)
 ASSI {  973}
   (  segid "PX14" and resid 29   and name HD1%)
   (( segid "PX14" and resid 62   and name HG2 ))
      2.300     2.300     3.700 peak   973 spectrum    2 weight  0.11000E+01 volume  0.78908E-02 ppm1      0.857 ppm2      2.161 CV     1
 OR {  973}
   (  segid "PX14" and resid 29   and name HD1%)
   (( segid "PX14" and resid 65   and name HB1 ))
 ASSI { 1057}
   (( segid "PX14" and resid 49   and name HB2 ))
   (  segid "PX05" and resid 107  and name HE% )
      5.000     5.000     1.000 peak  1057 spectrum    2 weight  0.11000E+01 volume  0.24414E-03 ppm1      1.616 ppm2      7.281 CV     1
 OR { 1057}
   (( segid "PX14" and resid 49   and name HB2 ))
   (  segid "PX14" and resid 67   and name HD% )
 ASSI { 1086}
   (  segid "PX14" and resid 66   and name HB% )
   (  segid "PX14" and resid 29   and name HG2%)
      2.600     2.600     3.400 peak  1086 spectrum    2 weight  0.11000E+01 volume  0.45931E-02 ppm1      1.286 ppm2      0.734 CV     1
 OR { 1086}
   (  segid "PX14" and resid 66   and name HB% )
   (  segid "PX14" and resid 53   and name HD1%)
 ASSI { 1161}
   (  segid "PX14" and resid 53   and name HD2%)
   (  segid "PX14" and resid 35   and name HE% )
      4.100     4.100     1.900 peak  1161 spectrum    2 weight  0.11000E+01 volume  0.31567E-03 ppm1      0.915 ppm2      6.609 CV     1
 OR { 1161}
   (  segid "PX14" and resid 53   and name HD2%)
   (  segid "PX14" and resid 52   and name HE% )
 ASSI {   81}
   (( segid "PX05" and resid 103  and name HZ2 ))
   (  segid "PX14" and resid 28   and name HD2%)
      2.500     2.500     3.500 peak    81 spectrum    3 weight  0.11000E+01 volume  0.44355E-02 ppm1      7.317 ppm2      0.904 CV     1
 OR {   81}
   (( segid "PX05" and resid 103  and name HZ2 ))
   (  segid "PX14" and resid 58   and name HD2%)
 ASSI {  135}
   (  segid "PX14" and resid 63   and name HG2%)
   (( segid "PX14" and resid 63   and name HA  ))
      2.400     2.400     3.600 peak   135 spectrum    3 weight  0.11000E+01 volume  0.77358E-02 ppm1      0.623 ppm2      3.283 CV     1
 OR {  135}
   (  segid "PX14" and resid 33   and name HG2%)
   (( segid "PX14" and resid 33   and name HA  ))
 ASSI {  202}
   (( segid "PX14" and resid 40   and name HD2 ))
   (( segid "PX14" and resid 40   and name HB1 ))
      3.000     3.000     3.000 peak   202 spectrum    3 weight  0.11000E+01 volume  0.21517E-02 ppm1      3.122 ppm2      1.872 CV     1
 OR {  202}
   (( segid "PX14" and resid 50   and name HD1 ))
   (( segid "PX14" and resid 50   and name HB1 ))
 ASSI {  439}
   (  segid "PX14" and resid 53   and name HD1%)
   (( segid "PX05" and resid 103  and name HZ3 ))
      3.400     3.400     2.600 peak   439 spectrum    3 weight  0.11000E+01 volume  0.12456E-02 ppm1      0.708 ppm2      6.360 CV     1
 OR {  439}
   (  segid "PX14" and resid 58   and name HD1%)
   (( segid "PX05" and resid 103  and name HZ3 ))
 ASSI {  543}
   (( segid "PX05" and resid 103  and name HH2 ))
   (( segid "PX14" and resid 56   and name HG1 ))
      3.800     3.800     2.200 peak   543 spectrum    3 weight  0.11000E+01 volume  0.60206E-03 ppm1      6.847 ppm2     -0.090 CV     1
 OR {  543}
   (( segid "PX05" and resid 103  and name HH2 ))
   (  segid "PX14" and resid 31   and name HG2%)
 ASSI {  546}
   (( segid "PX05" and resid 103  and name HE3 ))
   (  segid "PX14" and resid 31   and name HG2%)
      4.000     4.000     2.000 peak   546 spectrum    3 weight  0.11000E+01 volume  0.47467E-03 ppm1      6.620 ppm2     -0.089 CV     1
 OR {  546}
   (( segid "PX05" and resid 103  and name HE3 ))
   (( segid "PX14" and resid 56   and name HG1 ))
 ASSI {  769}
   (  segid "PX14" and resid 63   and name HG2%)
   (( segid "PX14" and resid 50   and name HG1 ))
      2.500     2.500     3.500 peak   769 spectrum    3 weight  0.11000E+01 volume  0.10087E-01 ppm1      0.617 ppm2      1.482 CV     1
 OR {  769}
   (  segid "PX14" and resid 63   and name HG2%)
   (( segid "PX14" and resid 54   and name HG1 ))
 ASSI {  878}
   (( segid "PX14" and resid 35   and name HA  ))
   (  segid "PX14" and resid 33   and name HG2%)
      2.400     2.400     3.600 peak   878 spectrum    3 weight  0.11000E+01 volume  0.40189E-02 ppm1      4.235 ppm2      0.648 CV     1
 OR {  878}
   (( segid "PX14" and resid 35   and name HA  ))
   (  segid "PX14" and resid 63   and name HG2%)
 ASSI {  906}
   (  segid "PX14" and resid 31   and name HG2%)
   (( segid "PX05" and resid 100  and name HA  ))
      3.500     3.500     2.500 peak   906 spectrum    3 weight  0.11000E+01 volume  0.94903E-03 ppm1     -0.115 ppm2      3.578 CV     1
 OR {  906}
   (  segid "PX14" and resid 31   and name HG2%)
   (( segid "PX14" and resid 35   and name HB1 ))
 ASSI { 1093}
   (( segid "PX14" and resid 56   and name HN  ))
   (  segid "PX14" and resid 58   and name HD2%)
      5.100     5.100     0.900 peak  1093 spectrum    3 weight  0.11000E+01 volume  0.22525E-03 ppm1      6.947 ppm2      0.906 CV     1
 OR { 1093}
   (( segid "PX14" and resid 56   and name HN  ))
   (  segid "PX14" and resid 53   and name HD2%)
 ASSI { 1103}
   (  segid "PX14" and resid 35   and name HD% )
   (( segid "PX14" and resid 53   and name HG  ))
      4.400     4.400     1.600 peak  1103 spectrum    3 weight  0.11000E+01 volume  0.34480E-03 ppm1      7.195 ppm2      1.225 CV     1
 OR { 1103}
   (  segid "PX14" and resid 35   and name HD% )
   (( segid "PX14" and resid 36   and name HB2 ))
 ASSI { 1110}
   (( segid "PX14" and resid 58   and name HN  ))
   (  segid "PX14" and resid 59   and name HG2%)
      4.300     2.300     1.700 peak  1110 spectrum    3 weight  0.11000E+01 volume  0.52413E-03 ppm1      7.400 ppm2      1.221 CV     1
 OR { 1110}
   (( segid "PX14" and resid 58   and name HN  ))
   (( segid "PX14" and resid 56   and name HE2 ))
 OR { 1110}
   (( segid "PX14" and resid 58   and name HN  ))
   (( segid "PX14" and resid 53   and name HG  ))
 ASSI { 1126}
   (( segid "PX14" and resid 67   and name HB2 ))
   (( segid "PX14" and resid 72   and name HB  ))
      4.200     4.200     1.800 peak  1126 spectrum    3 weight  0.11000E+01 volume  0.73333E-03 ppm1      2.988 ppm2      4.196 CV     1
 OR { 1126}
   (( segid "PX14" and resid 67   and name HB2 ))
   (( segid "PX14" and resid 73   and name HA  ))
 ASSI { 1157}
   (  segid "PX05" and resid 107  and name HE% )
   (  segid "PX14" and resid 35   and name HE% )
      3.000     3.000     3.000 peak  1157 spectrum    3 weight  0.11000E+01 volume  0.91193E-03 ppm1      7.223 ppm2      6.613 CV     1
 OR { 1157}
   (  segid "PX05" and resid 107  and name HE% )
   (  segid "PX14" and resid 35   and name HE% )
 OR { 1157}
   (  segid "PX05" and resid 107  and name HE% )
   (  segid "PX14" and resid 52   and name HD% )
 OR { 1157}
   (  segid "PX05" and resid 107  and name HE% )
   (  segid "PX14" and resid 52   and name HD% )
 ASSI { 1172}
   (  segid "PX14" and resid 35   and name HD% )
   (  segid "PX14" and resid 31   and name HG2%)
      5.300     3.600     0.700 peak  1172 spectrum    3 weight  0.11000E+01 volume  0.16161E-03 ppm1      7.179 ppm2     -0.093 CV     1
 OR { 1172}
   (( segid "PX14" and resid 52   and name HZ  ))
   (( segid "PX14" and resid 56   and name HG1 ))
 ASSI {  172}
   (( segid "PX05" and resid 103  and name HZ3 ))
   (  segid "PX14" and resid 31   and name HG2%)
      4.300     4.300     1.700 peak   172 spectrum    4 weight  0.11000E+01 volume  0.37773E-03 ppm1      6.490 ppm2      0.022 CV     1
 OR {  172}
   (( segid "PX05" and resid 103  and name HZ3 ))
   (( segid "PX14" and resid 56   and name HG1 ))
 ASSI {   90}
   (( segid "PX05" and resid 103  and name HH2 ))
   (  segid "PX14" and resid 53   and name HD1%)
      2.700     2.700     3.300 peak    90 spectrum    5 weight  0.11000E+01 volume  0.16886E-02 ppm1      6.858 ppm2      0.731 CV     1
 OR {   90}
   (( segid "PX05" and resid 103  and name HH2 ))
   (  segid "PX05" and resid 99   and name HD2%)
 ASSI {  101}
   (  segid "PX05" and resid 108  and name HD2%)
   (( segid "PX05" and resid 109  and name HA  ))
      3.100     3.100     2.900 peak   101 spectrum    5 weight  0.11000E+01 volume  0.83779E-03 ppm1      0.722 ppm2      4.191 CV     1
 OR {  101}
   (  segid "PX05" and resid 108  and name HD2%)
   (( segid "PX14" and resid 40   and name HA  ))

assign ( residue   30 and name HN  ) ( residue   26  and name O )  1.80  0.00  1.00
assign ( residue   30 and name N  )  ( residue   26  and name O )  2.80  0.00  1.00


assign ( residue   32 and name HN  ) ( residue   28  and name O )  1.80  0.00  0.50
assign ( residue   32 and name N  )  ( residue   28  and name O )  2.80  0.00  0.50

assign ( residue   33 and name HN  ) ( residue   29  and name O )  1.80  0.00  0.50
assign ( residue   33 and name N  )  ( residue   29  and name O )  2.80  0.00  0.50

assign ( residue   34 and name HN  ) ( residue   30  and name O )  1.80  0.00  0.50
assign ( residue   34 and name N  )  ( residue   30  and name O )  2.80  0.00  0.50

assign ( residue   35 and name HN  ) ( residue   31  and name O )  1.80  0.00  0.50
assign ( residue   35 and name N  )  ( residue   31  and name O )  2.80  0.00  0.50

assign ( residue   36 and name HN  ) ( residue   32  and name O )  1.80  0.00  0.50
assign ( residue   36 and name N  )  ( residue   32  and name O )  2.80  0.00  0.50

assign ( residue   37 and name HN  ) ( residue   33  and name O )  1.80  0.00  0.80
assign ( residue   37 and name N  )  ( residue   33  and name O )  2.80  0.00  0.80





assign ( residue   50 and name HN  ) ( residue   46  and name O )  1.80  0.00  1.00
assign ( residue   50 and name N  )  ( residue   46  and name O )  2.80  0.00  1.00

assign ( residue   51 and name HN  ) ( residue   47  and name O )  1.80  0.00  0.50
assign ( residue   51 and name N  )  ( residue   47  and name O )  2.80  0.00  0.50

assign ( residue   52 and name HN  ) ( residue   48  and name O )  1.80  0.00  0.50
assign ( residue   52 and name N  )  ( residue   48  and name O )  2.80  0.00  0.50

assign ( residue   53 and name HN  ) ( residue   49  and name O )  1.80  0.00  0.50
assign ( residue   53 and name N  )  ( residue   49  and name O )  2.80  0.00  0.50

assign ( residue   54 and name HN  ) ( residue   50  and name O )  1.80  0.00  0.50
assign ( residue   54 and name N  )  ( residue   50  and name O )  2.80  0.00  0.50

assign ( residue   55 and name HN  ) ( residue   51  and name O )  1.80  0.00  0.50
assign ( residue   55 and name N  )  ( residue   51  and name O )  2.80  0.00  0.50

assign ( residue   56 and name HN  ) ( residue   52  and name O )  1.80  0.00  0.50
assign ( residue   56 and name N  )  ( residue   52  and name O )  2.80  0.00  0.50



assign ( residue   64 and name HN  ) ( residue   60  and name O )  1.80  0.00  0.50
assign ( residue   64 and name N  )  ( residue   60  and name O )  2.80  0.00  0.50

assign ( residue   65 and name HN  ) ( residue   61  and name O )  1.80  0.00  0.50
assign ( residue   65 and name N  )  ( residue   61  and name O )  2.80  0.00  0.50

assign ( residue   67 and name HN  ) ( residue   63  and name O )  1.80  0.00  0.50
assign ( residue   67 and name N  )  ( residue   63  and name O )  2.80  0.00  0.50

assign ( residue   68 and name HN  ) ( residue   64  and name O )  1.80  0.00  0.50
assign ( residue   68 and name N  )  ( residue   64  and name O )  2.80  0.00  0.50

assign ( residue   69 and name HN  ) ( residue   65  and name O )  1.80  0.00  0.80
assign ( residue   69 and name N  )  ( residue   65  and name O )  2.80  0.00  0.80

assign ( residue   98 and name HN  ) ( residue   94  and name O )  1.80  0.00  0.80
assign ( residue   98 and name N  )  ( residue   94  and name O )  2.80  0.00  0.80

assign ( residue   99 and name HN  ) ( residue   95  and name O )  1.80  0.00  0.80
assign ( residue   99 and name N  )  ( residue   95  and name O )  2.80  0.00  0.80

assign ( residue   100 and name HN  ) ( residue   96  and name O )  1.80  0.00  0.80
assign ( residue   100 and name N  )  ( residue   96  and name O )  2.80  0.00  0.80

assign ( residue   101 and name HN  ) ( residue   97  and name O )  1.80  0.00  0.80
assign ( residue   101 and name N  )  ( residue   97  and name O )  2.80  0.00  0.80

assign ( residue   102 and name HN  ) ( residue   98  and name O )  1.80  0.00  0.80
assign ( residue   102 and name N  )  ( residue   98  and name O )  2.80  0.00  0.80

assign ( residue   103 and name HN  ) ( residue   99  and name O )  1.80  0.00  0.80
assign ( residue   103 and name N  )  ( residue   99  and name O )  2.80  0.00  0.80

assign ( residue   104 and name HN  ) ( residue   100  and name O )  1.80  0.00  0.80
assign ( residue   104 and name N  )  ( residue   100  and name O )  2.80  0.00  0.80

assign ( residue   105 and name HN  ) ( residue   101  and name O )  1.80  0.00  0.80
assign ( residue   105 and name N  )  ( residue   101  and name O )  2.80  0.00  0.80

assign ( residue   106 and name HN  ) ( residue   102  and name O )  1.80  0.00  0.80
assign ( residue   106 and name N  )  ( residue   102  and name O )  2.80  0.00  0.80

assign ( residue   107 and name HN  ) ( residue   103  and name O )  1.80  0.00  0.80
assign ( residue   107 and name N  )  ( residue   103  and name O )  2.80  0.00  0.80

assign ( residue   108 and name HN  ) ( residue   104  and name O )  1.80  0.00  0.80
assign ( residue   108 and name N  )  ( residue   104  and name O )  2.80  0.00  0.80

assign ( residue   109 and name HN  ) ( residue   105  and name O )  1.80  0.00  0.80
assign ( residue   109 and name N  )  ( residue   105  and name O )  2.80  0.00  0.80

assign ( residue   110 and name HN  ) ( residue   106  and name O )  1.80  0.00  0.80
assign ( residue   110 and name N  )  ( residue   106  and name O )  2.80  0.00  0.80


ASSIGN (resid   52 and name N ) (resid   52 and name CA)
       (resid   52 and name CB) (resid   52 and name CG)  1.00  180.00   30.00   2
ASSIGN (resid   35 and name N ) (resid   35 and name CA)
       (resid   35 and name CB) (resid   35 and name CG)  1.00  180.00   30.00   2
  
ASSIGN (resid   15 and name C ) (resid   16 and name N )
       (resid   16 and name CA) (resid   16 and name C )  1.00  -97.22   40.45   2

ASSIGN (resid   19 and name C ) (resid   20 and name N )
       (resid   20 and name CA) (resid   20 and name C )  1.00  -71.29   31.39   2

ASSIGN (resid   22 and name C ) (resid   23 and name N )
       (resid   23 and name CA) (resid   23 and name C )  1.00  -77.19   23.46   2

ASSIGN (resid   24 and name C ) (resid   25 and name N )
       (resid   25 and name CA) (resid   25 and name C )  1.00  -101.97   43.52   2

ASSIGN (resid   25 and name C ) (resid   26 and name N )
       (resid   26 and name CA) (resid   26 and name C )  1.00  -58.20   26.21   2

ASSIGN (resid   26 and name C ) (resid   27 and name N )
       (resid   27 and name CA) (resid   27 and name C )  1.00  -61.09   25.54   2

ASSIGN (resid   27 and name C ) (resid   28 and name N )
       (resid   28 and name CA) (resid   28 and name C )  1.00  -69.35   20.30   2

ASSIGN (resid   28 and name C ) (resid   29 and name N )
       (resid   29 and name CA) (resid   29 and name C )  1.00  -65.22   7.10   2

ASSIGN (resid   29 and name C ) (resid   30 and name N )
       (resid   30 and name CA) (resid   30 and name C )  1.00  -66.18   20.70   2

ASSIGN (resid   30 and name C ) (resid   31 and name N )
       (resid   31 and name CA) (resid   31 and name C )  1.00  -70.38   12.73   2

ASSIGN (resid   31 and name C ) (resid   32 and name N )
       (resid   32 and name CA) (resid   32 and name C )  1.00  -65.36   10.52   2

ASSIGN (resid   32 and name C ) (resid   33 and name N )
       (resid   33 and name CA) (resid   33 and name C )  1.00  -63.65   18.75   2

ASSIGN (resid   33 and name C ) (resid   34 and name N )
       (resid   34 and name CA) (resid   34 and name C )  1.00  -60.43   16.50   2

ASSIGN (resid   34 and name C ) (resid   35 and name N )
       (resid   35 and name CA) (resid   35 and name C )  1.00  -62.63   18.00   2







ASSIGN (resid   44 and name C ) (resid   45 and name N )
       (resid   45 and name CA) (resid   45 and name C )  1.00  -78.56   47.33   2

ASSIGN (resid   45 and name C ) (resid   46 and name N )
       (resid   46 and name CA) (resid   46 and name C )  1.00  -56.72   19.00   2

ASSIGN (resid   46 and name C ) (resid   47 and name N )
       (resid   47 and name CA) (resid   47 and name C )  1.00  -65.22   18.81   2

ASSIGN (resid   47 and name C ) (resid   48 and name N )
       (resid   48 and name CA) (resid   48 and name C )  1.00  -63.15   17.19   2

ASSIGN (resid   48 and name C ) (resid   49 and name N )
       (resid   49 and name CA) (resid   49 and name C )  1.00  -61.60   7.63   2

ASSIGN (resid   49 and name C ) (resid   50 and name N )
       (resid   50 and name CA) (resid   50 and name C )  1.00  -61.15   17.88   2

ASSIGN (resid   50 and name C ) (resid   51 and name N )
       (resid   51 and name CA) (resid   51 and name C )  1.00  -65.16   25.25   2

ASSIGN (resid   51 and name C ) (resid   52 and name N )
       (resid   52 and name CA) (resid   52 and name C )  1.00  -65.00   15.65   2

ASSIGN (resid   52 and name C ) (resid   53 and name N )
       (resid   53 and name CA) (resid   53 and name C )  1.00  -60.27   23.78   2

ASSIGN (resid   53 and name C ) (resid   54 and name N )
       (resid   54 and name CA) (resid   54 and name C )  1.00  -64.59   18.96   2

ASSIGN (resid   54 and name C ) (resid   55 and name N )
       (resid   55 and name CA) (resid   55 and name C )  1.00  -65.22   11.98   2

ASSIGN (resid   58 and name C ) (resid   59 and name N )
       (resid   59 and name CA) (resid   59 and name C )  1.00  -102.77   43.98   2

ASSIGN (resid   59 and name C ) (resid   60 and name N )
       (resid   60 and name CA) (resid   60 and name C )  1.00  -57.51   17.15   2

ASSIGN (resid   60 and name C ) (resid   61 and name N )
       (resid   61 and name CA) (resid   61 and name C )  1.00  -65.44   25.90   2

ASSIGN (resid   61 and name C ) (resid   62 and name N )
       (resid   62 and name CA) (resid   62 and name C )  1.00  -67.89   10.37   2

ASSIGN (resid   62 and name C ) (resid   63 and name N )
       (resid   63 and name CA) (resid   63 and name C )  1.00  -63.22   6.12   2

ASSIGN (resid   63 and name C ) (resid   64 and name N )
       (resid   64 and name CA) (resid   64 and name C )  1.00  -59.89   7.19   2

ASSIGN (resid   64 and name C ) (resid   65 and name N )
       (resid   65 and name CA) (resid   65 and name C )  1.00  -64.43   7.32   2

ASSIGN (resid   65 and name C ) (resid   66 and name N )
       (resid   66 and name CA) (resid   66 and name C )  1.00  -68.52   11.28   2

ASSIGN (resid   66 and name C ) (resid   67 and name N )
       (resid   67 and name CA) (resid   67 and name C )  1.00  -63.94   8.98   2

ASSIGN (resid   67 and name C ) (resid   68 and name N )
       (resid   68 and name CA) (resid   68 and name C )  1.00  -64.25   8.42   2

ASSIGN (resid   68 and name C ) (resid   69 and name N )
       (resid   69 and name CA) (resid   69 and name C )  1.00  -66.20   15.93   2

ASSIGN (resid   69 and name C ) (resid   70 and name N )
       (resid   70 and name CA) (resid   70 and name C )  1.00  -95.82   24.57   2

ASSIGN (resid   75 and name C ) (resid   76 and name N )
       (resid   76 and name CA) (resid   76 and name C )  1.00  -87.41   47.16   2

ASSIGN (resid   78 and name C ) (resid   79 and name N )
       (resid   79 and name CA) (resid   79 and name C )  1.00  -69.36   33.62   2


ASSIGN (resid   16 and name N ) (resid   16 and name CA )
       (resid   16 and name C) (resid   17 and name N )  1.00   126.45   43.55   2

ASSIGN (resid   20 and name N ) (resid   20 and name CA )
       (resid   20 and name C) (resid   21 and name N )  1.00  -30.79   36.12   2

ASSIGN (resid   23 and name N ) (resid   23 and name CA )
       (resid   23 and name C) (resid   24 and name N )  1.00   141.32   29.04   2

ASSIGN (resid   25 and name N ) (resid   25 and name CA )
       (resid   25 and name C) (resid   26 and name N )  1.00   137.44   55.66   2

ASSIGN (resid   26 and name N ) (resid   26 and name CA )
       (resid   26 and name C) (resid   27 and name N )  1.00  -36.14   16.07   2

ASSIGN (resid   27 and name N ) (resid   27 and name CA )
       (resid   27 and name C) (resid   28 and name N )  1.00  -30.55   13.07   2

ASSIGN (resid   28 and name N ) (resid   28 and name CA )
       (resid   28 and name C) (resid   29 and name N )  1.00  -40.23   17.43   2

ASSIGN (resid   29 and name N ) (resid   29 and name CA )
       (resid   29 and name C) (resid   30 and name N )  1.00  -42.46   25.55   2

ASSIGN (resid   30 and name N ) (resid   30 and name CA )
       (resid   30 and name C) (resid   31 and name N )  1.00  -33.78   20.65   2

ASSIGN (resid   31 and name N ) (resid   31 and name CA )
       (resid   31 and name C) (resid   32 and name N )  1.00  -40.33   22.55   2

ASSIGN (resid   32 and name N ) (resid   32 and name CA )
       (resid   32 and name C) (resid   33 and name N )  1.00  -36.15   24.37   2

ASSIGN (resid   33 and name N ) (resid   33 and name CA )
       (resid   33 and name C) (resid   34 and name N )  1.00  -43.60   14.94   2

ASSIGN (resid   34 and name N ) (resid   34 and name CA )
       (resid   34 and name C) (resid   35 and name N )  1.00  -37.56   14.52   2

ASSIGN (resid   35 and name N ) (resid   35 and name CA )
       (resid   35 and name C) (resid   36 and name N )  1.00  -45.01   19.92   2

ASSIGN (resid   39 and name N ) (resid   39 and name CA )
       (resid   39 and name C) (resid   40 and name N )  1.00  -40.21   36.92   2

ASSIGN (resid   40 and name N ) (resid   40 and name CA )
       (resid   40 and name C) (resid   41 and name N )  1.00  -38.22   27.49   2

ASSIGN (resid   41 and name N ) (resid   41 and name CA )
       (resid   41 and name C) (resid   42 and name N )  1.00  -43.99   24.53   2

ASSIGN (resid   42 and name N ) (resid   42 and name CA )
       (resid   42 and name C) (resid   43 and name N )  1.00  -36.79   27.02   2

ASSIGN (resid   43 and name N ) (resid   43 and name CA )
       (resid   43 and name C) (resid   44 and name N )  1.00  -5.50   30.26   2

ASSIGN (resid   44 and name N ) (resid   44 and name CA )
       (resid   44 and name C) (resid   45 and name N )  1.00   151.40   20.13   2

ASSIGN (resid   45 and name N ) (resid   45 and name CA )
       (resid   45 and name C) (resid   46 and name N )  1.00   138.66   26.14   2

ASSIGN (resid   46 and name N ) (resid   46 and name CA )
       (resid   46 and name C) (resid   47 and name N )  1.00  -39.05   17.64   2

ASSIGN (resid   47 and name N ) (resid   47 and name CA )
       (resid   47 and name C) (resid   48 and name N )  1.00  -38.39   13.47   2

ASSIGN (resid   48 and name N ) (resid   48 and name CA )
       (resid   48 and name C) (resid   49 and name N )  1.00  -43.17   20.06   2

ASSIGN (resid   49 and name N ) (resid   49 and name CA )
       (resid   49 and name C) (resid   50 and name N )  1.00  -44.31   26.57   2

ASSIGN (resid   50 and name N ) (resid   50 and name CA )
       (resid   50 and name C) (resid   51 and name N )  1.00  -41.45   19.27   2

ASSIGN (resid   51 and name N ) (resid   51 and name CA )
       (resid   51 and name C) (resid   52 and name N )  1.00  -38.62   24.75   2

ASSIGN (resid   52 and name N ) (resid   52 and name CA )
       (resid   52 and name C) (resid   53 and name N )  1.00  -46.80   28.50   2

ASSIGN (resid   53 and name N ) (resid   53 and name CA )
       (resid   53 and name C) (resid   54 and name N )  1.00  -38.88   25.54   2

ASSIGN (resid   54 and name N ) (resid   54 and name CA )
       (resid   54 and name C) (resid   55 and name N )  1.00  -39.25   11.43   2

ASSIGN (resid   55 and name N ) (resid   55 and name CA )
       (resid   55 and name C) (resid   56 and name N )  1.00  -35.50   11.29   2

ASSIGN (resid   59 and name N ) (resid   59 and name CA )
       (resid   59 and name C) (resid   60 and name N )  1.00   165.57   21.46   2

ASSIGN (resid   60 and name N ) (resid   60 and name CA )
       (resid   60 and name C) (resid   61 and name N )  1.00  -38.60   19.03   2

ASSIGN (resid   61 and name N ) (resid   61 and name CA )
       (resid   61 and name C) (resid   62 and name N )  1.00  -39.66   27.56   2

ASSIGN (resid   62 and name N ) (resid   62 and name CA )
       (resid   62 and name C) (resid   63 and name N )  1.00  -39.39   11.71   2

ASSIGN (resid   63 and name N ) (resid   63 and name CA )
       (resid   63 and name C) (resid   64 and name N )  1.00  -43.48   17.33   2

ASSIGN (resid   64 and name N ) (resid   64 and name CA )
       (resid   64 and name C) (resid   65 and name N )  1.00  -39.43   17.73   2

ASSIGN (resid   65 and name N ) (resid   65 and name CA )
       (resid   65 and name C) (resid   66 and name N )  1.00  -39.61   18.31   2

ASSIGN (resid   66 and name N ) (resid   66 and name CA )
       (resid   66 and name C) (resid   67 and name N )  1.00  -38.68   18.40   2

ASSIGN (resid   67 and name N ) (resid   67 and name CA )
       (resid   67 and name C) (resid   68 and name N )  1.00  -42.84   13.11   2

ASSIGN (resid   68 and name N ) (resid   68 and name CA )
       (resid   68 and name C) (resid   69 and name N )  1.00  -40.85   18.12   2

ASSIGN (resid   69 and name N ) (resid   69 and name CA )
       (resid   69 and name C) (resid   70 and name N )  1.00  -36.53   20.50   2

ASSIGN (resid   70 and name N ) (resid   70 and name CA )
       (resid   70 and name C) (resid   71 and name N )  1.00  -7.10   23.54   2

ASSIGN (resid   76 and name N ) (resid   76 and name CA )
       (resid   76 and name C) (resid   77 and name N )  1.00   130.52   42.38   2

ASSIGN (resid   79 and name N ) (resid   79 and name CA )
       (resid   79 and name C) (resid   80 and name N )  1.00  -33.22   13.08   2


ASSIGN (resid  95 and name C ) (resid   96 and name N )
       (resid  96 and name CA) (resid   96 and name C )  1.00  -61.02   35.00   2

ASSIGN (resid  96 and name C ) (resid   97 and name N )
       (resid  97 and name CA) (resid   97 and name C )  1.00  -61.02   35.00   2


ASSIGN (resid  97 and name C ) (resid   98 and name N )
       (resid  98 and name CA) (resid   98 and name C )  1.00  -61.02   35.00   2

ASSIGN (resid  98 and name C ) (resid   99 and name N )
       (resid  99 and name CA) (resid   99 and name C )  1.00  -61.02   35.00   2

ASSIGN (resid  99 and name C ) (resid  100 and name N )
       (resid  100 and name CA) (resid  100 and name C )  1.00  -64.32   35.08   2

ASSIGN (resid  100 and name C ) (resid  101 and name N )
       (resid  101 and name CA) (resid  101 and name C )  1.00  -66.36   35.08   2

ASSIGN (resid  101 and name C ) (resid  102 and name N )
       (resid  102 and name CA) (resid  102 and name C )  1.00  -61.02   35.00   2

ASSIGN (resid  102 and name C ) (resid  103 and name N )
       (resid  103 and name CA) (resid  103 and name C )  1.00  -64.32   35.08   2

ASSIGN (resid  103 and name C ) (resid  104 and name N )
       (resid  104 and name CA) (resid  104 and name C )  1.00  -66.36   35.08   2

ASSIGN (resid  104 and name C ) (resid  105 and name N )
       (resid  105 and name CA) (resid  105 and name C )  1.00  -63.30   35.08   2

ASSIGN (resid  105 and name C ) (resid  106 and name N )
       (resid  106 and name CA) (resid  106 and name C )  1.00  -59.69   35.08   2

ASSIGN (resid  106 and name C ) (resid  107 and name N )
       (resid  107 and name CA) (resid  107 and name C )  1.00  -62.36   35.08   2

ASSIGN (resid  107 and name C ) (resid  108 and name N )
       (resid  108 and name CA) (resid  106 and name C )  1.00  -66.29   35.08   2 

ASSIGN (resid  108 and name C ) (resid  109 and name N )
       (resid  109 and name CA) (resid  109 and name C )  1.00  -62.85   35.08   2

ASSIGN (resid  109 and name C ) (resid  110 and name N )
       (resid  110 and name CA) (resid  110 and name C )  1.00  -68.64   35.08   2

ASSIGN (resid  110 and name C ) (resid  111 and name N )
       (resid  111 and name CA) (resid  111 and name C )  1.00  -64.68   35.08   2


ASSIGN (resid   96 and name N ) (resid   96 and name CA )
       (resid   96 and name C) (resid   97 and name N )  1.00  -38.93   33.08   2 


ASSIGN (resid   97 and name N ) (resid   97 and name CA )
       (resid   97 and name C) (resid   98 and name N )  1.00  -38.93   33.08   2 

ASSIGN (resid   98 and name N ) (resid   98 and name CA )
       (resid   98 and name C) (resid   99 and name N )  1.00  -38.93   33.08   2 

ASSIGN (resid   99 and name N ) (resid   99 and name CA )
       (resid   99 and name C) (resid  100 and name N )  1.00  -42.77   35.08   2 

ASSIGN (resid  100 and name N ) (resid  100 and name CA )
       (resid  100 and name C) (resid  101 and name N )  1.00  -42.20   35.08   2 

ASSIGN (resid  101 and name N ) (resid  101 and name CA )
       (resid  101 and name C) (resid  102 and name N )  1.00  -41.09   35.08   2
102 S 	TALOS PSI = -40 +/-  8.72  
ASSIGN (resid  102 and name N ) (resid  102 and name CA )
       (resid  102 and name C) (resid  103 and name N )  1.00  -38.93   35.08   2 

ASSIGN (resid  103 and name N ) (resid  103 and name CA )
       (resid  103 and name C) (resid  104 and name N )  1.00  -42.77   35.08   2 

ASSIGN (resid  104 and name N ) (resid  104 and name CA )
       (resid  104 and name C) (resid  105 and name N )  1.00  -42.20   35.08   2 

ASSIGN (resid  105 and name N ) (resid  105 and name CA )
       (resid  105 and name C) (resid  106 and name N )  1.00  -41.09   35.08   2

ASSIGN (resid  106 and name N ) (resid  106 and name CA )
       (resid  106 and name C) (resid  107 and name N )  1.00  -39.32   35.08   2

ASSIGN (resid  107 and name N ) (resid  107 and name CA )
       (resid  107 and name C) (resid  108 and name N )  1.00  -41.52   35.08   2

ASSIGN (resid  108 and name N ) (resid  108 and name CA )
       (resid  108 and name C) (resid  109 and name N )  1.00  -42.64   35.08   2 

ASSIGN (resid  109 and name N ) (resid  109 and name CA )
       (resid  109 and name C) (resid  110 and name N )  1.00  -40.20   35.08   2

ASSIGN (resid  110 and name N ) (resid  110 and name CA )
       (resid  110 and name C) (resid  111 and name N )  1.00  -41.67   35.08   2

ASSIGN (resid  111 and name N ) (resid  111 and name CA )
       (resid  111 and name C) (resid  112 and name N )  1.00  -40.46   35.08   2
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  26  and name N   )
       ( resid  25  and name C   ) -6.51258	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  28  and name N   )
       ( resid  27  and name C   ) -19.8383	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  29  and name N   )
       ( resid  28  and name C   ) 12.5242	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  30  and name N   )
       ( resid  29  and name C   ) -12.1234	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  31  and name N   )
       ( resid  30  and name C   ) 1.70329	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  32  and name N   )
       ( resid  31  and name C   ) -11.0213	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  33  and name N   )
       ( resid  32  and name C   ) 1.00194	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  34  and name N   )
       ( resid  33  and name C   ) -1.90368	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  35  and name N   )
       ( resid  34  and name C   ) -11.923	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  36  and name N   )
       ( resid  35  and name C   ) 6.51258	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  38  and name N   )
       ( resid  37  and name C   ) 3.80736	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  40  and name N   )
       ( resid  39  and name C   ) 8.31607	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  41  and name N   )
       ( resid  40  and name C   ) 2.80542	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  42  and name N   )
       ( resid  41  and name C   ) -5.41045	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  43  and name N   )
       ( resid  42  and name C   ) 12.1234	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  44  and name N   )
       ( resid  43  and name C   ) 1.80348	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  50  and name N   )
       ( resid  49  and name C   ) -6.11181	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  51  and name N   )
       ( resid  50  and name C   ) 4.40852	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  52  and name N   )
       ( resid  51  and name C   ) -11.5223	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  53  and name N   )
       ( resid  52  and name C   ) 11.4221	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  54  and name N   )
       ( resid  53  and name C   ) -18.5358	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  55  and name N   )
       ( resid  54  and name C   ) 14.1273	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  56  and name N   )
       ( resid  55  and name C   ) -10.2197	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  57  and name N   )
       ( resid  56  and name C   ) -10.6205	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  58  and name N   )
       ( resid  57  and name C   ) 1.90368	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  60  and name N   )
       ( resid  59  and name C   ) -10.8209	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  61  and name N   )
       ( resid  60  and name C   ) 13.0252	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  62  and name N   )
       ( resid  61  and name C   ) 3.80736	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  63  and name N   )
       ( resid  62  and name C   ) -5.00968	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  64  and name N   )
       ( resid  63  and name C   ) 4.00774	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  65  and name N   )
       ( resid  64  and name C   ) 5.10987	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  66  and name N   )
       ( resid  65  and name C   ) 8.71684	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  67  and name N   )
       ( resid  66  and name C   ) -12.5242	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  68  and name N   )
       ( resid  67  and name C   ) 13.3257	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  69  and name N   )
       ( resid  68  and name C   ) 3.30639	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  70  and name N   )
       ( resid  69  and name C   ) 3.106	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  71  and name N   )
       ( resid  70  and name C   ) 1.10213	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  72  and name N   )
       ( resid  71  and name C   ) -9.318	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  25  and name N   )
       ( resid  25  and name HN  ) 2.7246464	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  26  and name N   )
       ( resid  26  and name HN  ) -14.6510562	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  28  and name N   )
       ( resid  28  and name HN  ) -10.64315	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  29  and name N   )
       ( resid  29  and name HN  ) -12.8143526	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  30  and name N   )
       ( resid  30  and name HN  ) -6.8481068	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  31  and name N   )
       ( resid  31  and name HN  ) 3.4544624	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  32  and name N   )
       ( resid  32  and name HN  ) -11.4094568	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  33  and name N   )
       ( resid  33  and name HN  ) -11.8108556	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  34  and name N   )
       ( resid  34  and name HN  ) -8.5266836	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  35  and name N   )
       ( resid  35  and name HN  ) -10.734377	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  36  and name N   )
       ( resid  36  and name HN  ) -14.231412	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  38  and name N   )
       ( resid  38  and name HN  ) 7.8394402	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  40  and name N   )
       ( resid  40  and name HN  ) -7.0305608	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  41  and name N   )
       ( resid  41  and name HN  ) 14.5294202	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  42  and name N   )
       ( resid  42  and name HN  ) 9.274745	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  43  and name N   )
       ( resid  43  and name HN  ) 1.2406872	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  44  and name N   )
       ( resid  44  and name HN  ) -1.581268	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  46  and name N   )
       ( resid  46  and name HN  ) -3.2598448	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  47  and name N   )
       ( resid  47  and name HN  ) -5.808119	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  49  and name N   )
       ( resid  49  and name HN  ) -4.6647406	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  50  and name N   )
       ( resid  50  and name HN  ) -4.3424052	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  51  and name N   )
       ( resid  51  and name HN  ) -6.8602704	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  52  and name N   )
       ( resid  52  and name HN  ) 1.52045	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  53  and name N   )
       ( resid  53  and name HN  ) -5.0296486	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  54  and name N   )
       ( resid  54  and name HN  ) -6.3676446	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  55  and name N   )
       ( resid  55  and name HN  ) -6.3372356	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  56  and name N   )
       ( resid  56  and name HN  ) -5.017485	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  57  and name N   )
       ( resid  57  and name HN  ) 3.101718	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  58  and name N   )
       ( resid  58  and name HN  ) -15.4842628	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  59  and name N   )
       ( resid  59  and name HN  ) 9.8160252	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  60  and name N   )
       ( resid  60  and name HN  ) 13.3738782	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  61  and name N   )
       ( resid  61  and name HN  ) 3.5760984	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  62  and name N   )
       ( resid  62  and name HN  ) 8.301657	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  63  and name N   )
       ( resid  63  and name HN  ) 16.0194612	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  64  and name N   )
       ( resid  64  and name HN  ) 7.7299678	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  65  and name N   )
       ( resid  65  and name HN  ) 1.8427854	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  66  and name N   )
       ( resid  66  and name HN  ) 13.2157514	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  67  and name N   )
       ( resid  67  and name HN  ) 14.261821	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  68  and name N   )
       ( resid  68  and name HN  ) 4.1781966	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  69  and name N   )
       ( resid  69  and name HN  ) 6.4710352	1.0
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  70  and name N   )
       ( resid  70  and name HN  ) 19.0786066	1.0