*HEADER    TRANSPORT PROTEIN                       10-AUG-10   2L21              
*TITLE     CHICKEN IGF2R DOMAIN 11                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR;           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: DOMAIN 11, RESIDUES 1485-1630;                             
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;                                  
*SOURCE   3 ORGANISM_COMMON: BANTAM,CHICKENS;                                    
*SOURCE   4 ORGANISM_TAXID: 9031;                                                
*SOURCE   5 GENE: IGF2R;                                                         
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET26A                                    
*KEYWDS    GENOMIC IMPRINTING, INSULIN-LIKE GROWTH FACTOR 2, MANNOSE 6 PHOSPHATE 
*KEYWDS   2 RECEPTOR, PROTEIN EVOLUTION, TRANSPORT PROTEIN                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.WILLIAMS, H.HOPPE, M.STRICKLAND, S.FRAGO, R.Z.ELLIS, P.WATTANA-     
*AUTHOR   2 AMORN, S.N.PRINCE, O.J.ZACCHEO, B.FORBES, E.Y.JONES, D.Z.REZGUI,     
*AUTHOR   3 M.P.CRUMP, A.B.HASSAN                                                
*REVDAT   2   22-FEB-12 2L21    1                                                
*REVDAT   1   15-FEB-12 2L21    0                                                



 ASSI {    6}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 21   and name HA  ))
      5.100     3.300     0.900 peak     6 spectrum    1 weight  0.10000E+01 volume  0.86732E-03 ppm1     -0.450 ppm2      5.033 CV     1
 OR {    6}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI {    7}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.27856E-02 ppm1     -0.449 ppm2      4.361 CV     1
 OR {    7}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
 ASSI {    9}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 25   and name HB1 ))
      4.000     2.000     2.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.90300E-03 ppm1     -0.453 ppm2      1.625 CV     1
 OR {    9}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 86   and name HB1 ))
 ASSI {   11}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HB1 ))
      2.200     0.600     0.600 peak    11 spectrum    1 weight  0.10000E+01 volume  0.84742E-02 ppm1     -0.451 ppm2      1.256 CV     1
 OR {   11}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 25   and name HB2 ))
 OR {   11}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HB2 ))
 OR {   11}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 140  and name HG  ))
 ASSI {   14}
   (  segid "    " and resid 22   and name HD2%)
   (  segid "    " and resid 25   and name HD2%)
      3.200     1.300     1.300 peak    14 spectrum    1 weight  0.10000E+01 volume  0.27985E-02 ppm1     -0.450 ppm2      0.648 CV     1
 OR {   14}
   (  segid "    " and resid 22   and name HD2%)
   (  segid "    " and resid 140  and name HD2%)
 OR {   14}
   (  segid "    " and resid 22   and name HD2%)
   (  segid "    " and resid 45   and name HG2%)
 ASSI {   15}
   (  segid "    " and resid 22   and name HD2%)
   (  segid "    " and resid 77   and name HD1%)
      2.900     1.100     1.100 peak    15 spectrum    1 weight  0.10000E+01 volume  0.12098E-01 ppm1     -0.450 ppm2      0.519 CV     1
 OR {   15}
   (  segid "    " and resid 22   and name HD2%)
   (  segid "    " and resid 45   and name HG1%)
 OR {   15}
   (  segid "    " and resid 22   and name HD2%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI {   37}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      3.700     1.700     1.700 peak    37 spectrum    1 weight  0.10000E+01 volume  0.18480E-02 ppm1      0.542 ppm2      8.989 CV     1
 OR {   37}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
 ASSI {   39}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
      4.200     2.200     1.800 peak    39 spectrum    1 weight  0.10000E+01 volume  0.59220E-03 ppm1      0.544 ppm2      8.398 CV     1
 OR {   39}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI {   41}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      2.700     2.700     3.300 peak    41 spectrum    1 weight  0.10000E+01 volume  0.87922E-03 ppm1      0.543 ppm2      5.470 CV     1
 OR {   41}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
 OR {   41}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
 ASSI {   42}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 61   and name HA  ))
      2.500     0.800     0.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.31383E-02 ppm1      0.542 ppm2      4.917 CV     1
 OR {   42}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 62   and name HA  ))
 ASSI {   43}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 63   and name HA  ))
      3.600     1.600     1.600 peak    43 spectrum    1 weight  0.10000E+01 volume  0.13138E-02 ppm1      0.543 ppm2      4.826 CV     1
 OR {   43}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 67   and name HA  ))
 OR {   43}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
 ASSI {   46}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 35   and name HB2 ))
      3.200     1.300     1.300 peak    46 spectrum    1 weight  0.10000E+01 volume  0.19978E-02 ppm1      0.543 ppm2      3.080 CV     1
 OR {   46}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 60   and name HB1 ))
 OR {   46}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 125  and name HB2 ))
 OR {   46}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 69   and name HB1 ))
 ASSI {   53}
   (  segid "    " and resid 61   and name HG2%)
   (  segid "    " and resid 70   and name HB% )
      3.500     1.500     1.500 peak    53 spectrum    1 weight  0.10000E+01 volume  0.50813E-02 ppm1      0.541 ppm2      1.291 CV     1
 OR {   53}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 68   and name HB2 ))
 OR {   53}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 40   and name HG1 ))
 OR {   53}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 40   and name HG2 ))
 ASSI {   54}
   (  segid "    " and resid 61   and name HG2%)
   (  segid "    " and resid 62   and name HG2%)
      4.400     2.500     1.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.13048E-02 ppm1      0.541 ppm2      1.184 CV     1
 OR {   54}
   (  segid "    " and resid 61   and name HG2%)
   (  segid "    " and resid 59   and name HG2%)
 ASSI {   66}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
      3.700     1.700     1.700 peak    66 spectrum    1 weight  0.10000E+01 volume  0.11571E-02 ppm1      0.698 ppm2      9.767 CV     1
 OR {   66}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
 ASSI {   68}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 62   and name HN  ))
      3.100     1.200     1.200 peak    68 spectrum    1 weight  0.10000E+01 volume  0.68717E-03 ppm1      0.695 ppm2      9.666 CV     1
 OR {   68}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 58   and name HN  ))
 ASSI {   77}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 70   and name HB% )
      2.800     1.000     1.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.55621E-02 ppm1      0.695 ppm2      1.308 CV     1
 OR {   77}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 68   and name HB2 ))
 ASSI {   79}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 68   and name HG  ))
      4.500     2.500     1.500 peak    79 spectrum    1 weight  0.10000E+01 volume  0.11278E-02 ppm1      0.701 ppm2      1.065 CV     1
 ASSI {  114}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 33   and name HA  ))
      4.000     2.000     2.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.16259E-02 ppm1      4.079 ppm2      4.894 CV     1
 OR {  114}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 35   and name HA  ))
 OR {  114}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI {  141}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 142  and name HB2 ))
      4.800     2.900     1.200 peak   141 spectrum    1 weight  0.10000E+01 volume  0.47230E-03 ppm1      4.317 ppm2      3.091 CV     1
 OR {  141}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI {  143}
   (( segid "    " and resid 129  and name HB  ))
   (  segid "    " and resid 129  and name HG2%)
      2.100     0.600     0.600 peak   143 spectrum    1 weight  0.10000E+01 volume  0.79140E-02 ppm1      4.335 ppm2      1.099 CV     1
 OR {  143}
   (( segid "    " and resid 16   and name HB  ))
   (  segid "    " and resid 16   and name HG2%)
 ASSI {  150}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 119  and name HN  ))
      3.700     1.700     1.700 peak   150 spectrum    1 weight  0.10000E+01 volume  0.16595E-02 ppm1      1.560 ppm2      8.293 CV     1
 OR {  150}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 113  and name HN  ))
 ASSI {  157}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 113  and name HA  ))
      4.600     2.700     1.400 peak   157 spectrum    1 weight  0.10000E+01 volume  0.75393E-03 ppm1      1.557 ppm2      4.717 CV     1
 OR {  157}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 116  and name HA  ))
 ASSI {  158}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 16   and name HA  ))
      3.800     1.800     1.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.21386E-02 ppm1      1.547 ppm2      4.520 CV     1
 OR {  158}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 111  and name HA  ))
 OR {  158}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 139  and name HA  ))
 ASSI {  160}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      2.000     0.500     0.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.24136E-01 ppm1      1.538 ppm2      4.287 CV     1
 OR {  160}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 138  and name HB  ))
 OR {  160}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 16   and name HB  ))
 ASSI {  167}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 111  and name HE2 ))
      3.400     1.500     1.500 peak   167 spectrum    1 weight  0.10000E+01 volume  0.22301E-02 ppm1      1.559 ppm2      2.938 CV     1
 OR {  167}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 111  and name HE1 ))
 OR {  167}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 137  and name HB2 ))
 OR {  167}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 18   and name HB1 ))
 ASSI {  172}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 111  and name HD2 ))
      2.800     1.000     3.200 peak   172 spectrum    1 weight  0.10000E+01 volume  0.11458E-01 ppm1      1.549 ppm2      1.654 CV     1
 OR {  172}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 111  and name HD1 ))
 ASSI {  176}
   (  segid "    " and resid 114  and name HB% )
   (  segid "    " and resid 138  and name HG2%)
      3.500     1.500     1.500 peak   176 spectrum    1 weight  0.10000E+01 volume  0.75267E-02 ppm1      1.536 ppm2      1.112 CV     1
 OR {  176}
   (  segid "    " and resid 15   and name HB% )
   (  segid "    " and resid 16   and name HG2%)
 ASSI {  181}
   (( segid "    " and resid 125  and name HB2 ))
   (( segid "    " and resid 125  and name HN  ))
      3.200     1.200     1.200 peak   181 spectrum    1 weight  0.10000E+01 volume  0.20886E-02 ppm1      3.028 ppm2      8.479 CV     1
 OR {  181}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 45   and name HN  ))
 OR {  181}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  186}
   (( segid "    " and resid 105  and name HB1 ))
   (( segid "    " and resid 87   and name HA  ))
      3.600     1.600     1.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.19093E-02 ppm1      3.019 ppm2      4.799 CV     1
 OR {  186}
   (( segid "    " and resid 26   and name HE2 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  186}
   (( segid "    " and resid 26   and name HE1 ))
   (( segid "    " and resid 75   and name HA  ))
 OR {  186}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  190}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.32162E-02 ppm1      3.027 ppm2      4.251 CV     1
 OR {  190}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
 OR {  190}
   (( segid "    " and resid 125  and name HB2 ))
   (( segid "    " and resid 124  and name HA  ))
 OR {  190}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  221}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 6    and name HB2 ))
      3.000     3.000     3.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.24724E-02 ppm1      3.110 ppm2      2.093 CV     1
 OR {  221}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  224}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 25   and name HB1 ))
      3.100     1.200     1.200 peak   224 spectrum    1 weight  0.10000E+01 volume  0.23458E-02 ppm1      3.107 ppm2      1.640 CV     1
 OR {  224}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 26   and name HD2 ))
 OR {  224}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 26   and name HD1 ))
 OR {  224}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  258}
   (  segid "    " and resid 25   and name HD2%)
   (  segid "    " and resid 31   and name HD% )
      3.100     1.200     1.200 peak   258 spectrum    1 weight  0.10000E+01 volume  0.25934E-02 ppm1      0.669 ppm2      7.250 CV     1
 OR {  258}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 136  and name HZ2 ))
 OR {  258}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  259}
   (  segid "    " and resid 123  and name HD1%)
   (( segid "    " and resid 134  and name HA  ))
      3.200     1.200     1.200 peak   259 spectrum    1 weight  0.10000E+01 volume  0.98664E-03 ppm1      0.689 ppm2      5.248 CV     1
 OR {  259}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  260}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
      2.400     0.700     0.700 peak   260 spectrum    1 weight  0.10000E+01 volume  0.11887E-01 ppm1      0.669 ppm2      4.352 CV     1
 OR {  260}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  261}
   (  segid "    " and resid 123  and name HD1%)
   (( segid "    " and resid 121  and name HB  ))
      3.300     1.400     1.400 peak   261 spectrum    1 weight  0.10000E+01 volume  0.22460E-02 ppm1      0.683 ppm2      1.989 CV     1
 OR {  261}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 26   and name HG1 ))
 ASSI {  264}
   (  segid "    " and resid 123  and name HD1%)
   (  segid "    " and resid 121  and name HG2%)
      3.000     1.200     1.500 peak   264 spectrum    1 weight  0.10000E+01 volume  0.36415E-01 ppm1      0.687 ppm2      0.890 CV     1
 OR {  264}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 22   and name HG  ))
 OR {  264}
   (  segid "    " and resid 123  and name HD1%)
   (  segid "    " and resid 121  and name HG1%)
 OR {  264}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 86   and name HG  ))
 ASSI {  277}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
      3.400     1.400     1.400 peak   277 spectrum    1 weight  0.10000E+01 volume  0.13714E-02 ppm1      1.227 ppm2      8.720 CV     1
 OR {  277}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 87   and name HN  ))
 OR {  277}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  278}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      3.300     3.300     2.700 peak   278 spectrum    1 weight  0.10000E+01 volume  0.25690E-02 ppm1      1.227 ppm2      8.053 CV     1
 OR {  278}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  280}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 59   and name HA  ))
      2.800     2.800     3.200 peak   280 spectrum    1 weight  0.10000E+01 volume  0.72593E-02 ppm1      1.227 ppm2      4.509 CV     1
 ASSI {  281}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.400     1.400 peak   281 spectrum    1 weight  0.10000E+01 volume  0.23212E-02 ppm1      1.252 ppm2      4.315 CV     1
 OR {  281}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
 OR {  281}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 6    and name HA  ))
 ASSI {  283}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 28   and name HA  ))
      2.000     2.000     4.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.12439E-01 ppm1      1.228 ppm2      4.039 CV     1
 OR {  283}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 76   and name HB  ))
 OR {  283}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 57   and name HA  ))
 OR {  283}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 76   and name HB  ))
 OR {  283}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 71   and name HA2 ))
 ASSI {  293}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.500     1.500 peak   293 spectrum    1 weight  0.10000E+01 volume  0.41590E-02 ppm1      1.158 ppm2      9.347 CV     1
 OR {  293}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
 OR {  293}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
 ASSI {  294}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 85   and name HN  ))
      3.400     1.500     1.500 peak   294 spectrum    1 weight  0.10000E+01 volume  0.17142E-02 ppm1      1.161 ppm2      9.090 CV     1
 OR {  294}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 104  and name HN  ))
 OR {  294}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 41   and name HN  ))
 OR {  294}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 81   and name HN  ))
 ASSI {  295}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
      3.000     1.100     1.100 peak   295 spectrum    1 weight  0.10000E+01 volume  0.53457E-02 ppm1      1.167 ppm2      8.879 CV     1
 OR {  295}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
 ASSI {  296}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak   296 spectrum    1 weight  0.10000E+01 volume  0.40593E-02 ppm1      1.162 ppm2      8.718 CV     1
 OR {  296}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  297}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 71   and name HN  ))
      4.100     2.100     1.900 peak   297 spectrum    1 weight  0.10000E+01 volume  0.93772E-03 ppm1      1.171 ppm2      8.418 CV     1
 OR {  297}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 80   and name HN  ))
 OR {  297}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
 ASSI {  301}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      2.900     1.100     1.100 peak   301 spectrum    1 weight  0.10000E+01 volume  0.59687E-02 ppm1      1.166 ppm2      4.777 CV     1
 OR {  301}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  302}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 59   and name HA  ))
      2.600     0.800     0.800 peak   302 spectrum    1 weight  0.10000E+01 volume  0.23158E-02 ppm1      1.157 ppm2      4.609 CV     1
 OR {  302}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  303}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 59   and name HA  ))
      2.600     0.900     0.900 peak   303 spectrum    1 weight  0.10000E+01 volume  0.20173E-02 ppm1      1.163 ppm2      4.568 CV     1
 OR {  303}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
 ASSI {  305}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HB  ))
      2.100     0.500     0.500 peak   305 spectrum    1 weight  0.10000E+01 volume  0.14316E-01 ppm1      1.168 ppm2      4.073 CV     1
 OR {  305}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 62   and name HB  ))
 ASSI {  306}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 32   and name HB  ))
      2.300     0.600     0.600 peak   306 spectrum    1 weight  0.10000E+01 volume  0.11299E-01 ppm1      1.159 ppm2      3.973 CV     1
 OR {  306}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 71   and name HA2 ))
 OR {  306}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 104  and name HB2 ))
 OR {  306}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 67   and name HB  ))
 ASSI {  307}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 108  and name HB2 ))
      4.500     2.500     1.500 peak   307 spectrum    1 weight  0.10000E+01 volume  0.14015E-02 ppm1      1.157 ppm2      2.428 CV     1
 OR {  307}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 81   and name HB2 ))
 OR {  307}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 119  and name HG2 ))
 OR {  307}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 119  and name HG1 ))
 OR {  307}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 27   and name HD1 ))
 OR {  307}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 44   and name HB1 ))
 ASSI {  308}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 65   and name HB2 ))
      4.500     2.500     1.500 peak   308 spectrum    1 weight  0.10000E+01 volume  0.23958E-02 ppm1      1.161 ppm2      2.138 CV     1
 OR {  308}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 72   and name HE1 ))
 OR {  308}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 72   and name HE2 ))
 OR {  308}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 80   and name HG2 ))
 OR {  308}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 80   and name HG1 ))
 ASSI {  309}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 43   and name HB1 ))
      3.000     1.200     1.200 peak   309 spectrum    1 weight  0.10000E+01 volume  0.62932E-02 ppm1      1.167 ppm2      1.749 CV     1
 OR {  309}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  310}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 85   and name HB2 ))
      2.300     0.700     0.700 peak   310 spectrum    1 weight  0.10000E+01 volume  0.83689E-02 ppm1      1.162 ppm2      1.632 CV     1
 OR {  310}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 85   and name HB1 ))
 OR {  310}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 72   and name HG2 ))
 ASSI {  312}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 33   and name HG12))
      3.200     1.300     1.300 peak   312 spectrum    1 weight  0.10000E+01 volume  0.66778E-02 ppm1      1.161 ppm2      1.412 CV     1
 OR {  312}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 66   and name HG1 ))
 OR {  312}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 33   and name HG11))
 OR {  312}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 72   and name HG1 ))
 OR {  312}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 66   and name HG2 ))
 OR {  312}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 120  and name HG2 ))
 OR {  312}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 41   and name HG12))
 OR {  312}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 120  and name HB2 ))
 OR {  312}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 41   and name HG11))
 ASSI {  324}
   (  segid "    " and resid 87   and name HG2%)
   (  segid "    " and resid 105  and name HD% )
      3.800     1.800     1.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.18606E-02 ppm1      0.767 ppm2      6.966 CV     1
 OR {  324}
   (  segid "    " and resid 87   and name HG2%)
   (  segid "    " and resid 133  and name HD% )
 ASSI {  325}
   (  segid "    " and resid 87   and name HG2%)
   (  segid "    " and resid 105  and name HE% )
      3.700     1.700     1.700 peak   325 spectrum    1 weight  0.10000E+01 volume  0.25442E-02 ppm1      0.766 ppm2      6.732 CV     1
 OR {  325}
   (  segid "    " and resid 87   and name HG2%)
   (  segid "    " and resid 106  and name HD% )
 ASSI {  332}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 89   and name HB2 ))
      4.000     2.200     2.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.28021E-02 ppm1      0.768 ppm2      2.106 CV     1
 ASSI {  343}
   (  segid "    " and resid 54   and name HB% )
   (( segid "    " and resid 53   and name HB2 ))
      4.300     2.300     1.700 peak   343 spectrum    1 weight  0.10000E+01 volume  0.20527E-02 ppm1      1.429 ppm2      2.787 CV     1
 ASSI {  4546}
   (  segid "    " and resid 53   and name HA  )
   (( segid "    " and resid 57   and name HB% ))
      4.500     2.500     1.500 peak  4546 spectrum    1 weight  0.10000E+01 volume  0.20527E-02 ppm1      4.380 ppm2      1.203 CV     1
 ASSI {  368}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 101  and name HN  ))
      3.300     1.500     1.500 peak   368 spectrum    1 weight  0.10000E+01 volume  0.26744E-02 ppm1      2.105 ppm2      8.455 CV     1
 ASSI {  370}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 97   and name HN  ))
      4.000     2.200     2.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.13363E-02 ppm1      2.103 ppm2      7.071 CV     1
 ASSI {  404}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
      4.400     2.400     1.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.10613E-02 ppm1      2.903 ppm2      8.209 CV     1
 OR {  404}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 29   and name HN  ))
 OR {  404}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  412}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HG2 ))
      2.600     0.800     0.800 peak   412 spectrum    1 weight  0.10000E+01 volume  0.19499E-02 ppm1      2.901 ppm2      1.457 CV     1
 OR {  412}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 19   and name HG  ))
 ASSI {  440}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 66   and name HB1 ))
      3.300     1.400     1.400 peak   440 spectrum    1 weight  0.10000E+01 volume  0.11588E-02 ppm1      2.778 ppm2      1.837 CV     1
 OR {  440}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  440}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 65   and name HG2 ))
 ASSI {  452}
   (( segid "    " and resid 85   and name HE1 ))
   (  segid "    " and resid 83   and name HG1%)
      3.000     1.100     2.100 peak   452 spectrum    1 weight  0.10000E+01 volume  0.27728E-02 ppm1      2.716 ppm2      0.861 CV     1
 OR {  452}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 73   and name HD2%)
 OR {  452}
   (( segid "    " and resid 85   and name HE2 ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI {  457}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 118  and name HB2 ))
      4.400     2.400     1.600 peak   457 spectrum    1 weight  0.10000E+01 volume  0.10912E-02 ppm1      2.835 ppm2      4.350 CV     1
 OR {  457}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 118  and name HB1 ))
 OR {  457}
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 118  and name HB2 ))
 OR {  457}
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 118  and name HB1 ))
 OR {  457}
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 119  and name HA  ))
 OR {  457}
   (( segid "    " and resid  81  and name HB1 ))
   (( segid "    " and resid  80  and name HA  ))
 ASSI {  461}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 117  and name HN  ))
      4.000     2.000     2.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.15663E-02 ppm1      2.729 ppm2      8.676 CV     1
 OR {  461}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
 OR {  461}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  464}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      4.100     2.100     1.900 peak   464 spectrum    1 weight  0.10000E+01 volume  0.10146E-02 ppm1      2.682 ppm2      8.799 CV     1
 OR {  464}
   (( segid "    " and resid 122  and name HB2 ))
   (( segid "    " and resid 122  and name HN  ))
 ASSI {  465}
   (( segid "    " and resid 122  and name HB2 ))
   (  segid "    " and resid 122  and name HD% )
      3.200     1.300     1.300 peak   465 spectrum    1 weight  0.10000E+01 volume  0.10556E-02 ppm1      2.676 ppm2      6.633 CV     1
 OR {  465}
   (( segid "    " and resid 122  and name HB2 ))
   (  segid "    " and resid 134  and name HD% )
 ASSI {  469}
   (( segid "    " and resid 122  and name HB2 ))
   (  segid "    " and resid 33   and name HD1%)
      4.600     2.700     1.400 peak   469 spectrum    1 weight  0.10000E+01 volume  0.78927E-03 ppm1      2.672 ppm2      0.901 CV     1
 OR {  469}
   (( segid "    " and resid 122  and name HB2 ))
   (  segid "    " and resid 121  and name HG2%)
 OR {  469}
   (( segid "    " and resid 122  and name HB2 ))
   (  segid "    " and resid 121  and name HG1%)
 ASSI {  473}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      2.800     1.000     1.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.27589E-02 ppm1      2.799 ppm2      4.794 CV     1
 OR {  473}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI {  475}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 57   and name HB% )
      2.900     1.100     1.100 peak   475 spectrum    1 weight  0.10000E+01 volume  0.17195E-02 ppm1      2.772 ppm2      1.191 CV     1
 OR {  475}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 109  and name HB  ))
 ASSI {  485}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.600     3.600     2.400 peak   485 spectrum    1 weight  0.10000E+01 volume  0.36199E-02 ppm1      2.431 ppm2      8.246 CV     1
 OR {  485}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  510}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 148  and name HN  ))
      4.400     2.400     1.600 peak   510 spectrum    1 weight  0.10000E+01 volume  0.68014E-03 ppm1      2.059 ppm2      8.390 CV     1
 OR {  510}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  530}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      2.600     0.800     0.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.86656E-02 ppm1      2.043 ppm2      4.271 CV     1
 OR {  530}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 95   and name HA  ))
 OR {  530}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 145  and name HA  ))
 ASSI {  533}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 147  and name HD2 ))
      3.500     1.500     1.500 peak   533 spectrum    1 weight  0.10000E+01 volume  0.22121E-02 ppm1      2.056 ppm2      3.648 CV     1
 OR {  533}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  533}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
 OR {  533}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  534}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 95   and name HB1 ))
      1.500     0.300     0.700 peak   534 spectrum    1 weight  0.10000E+01 volume  0.14568E-01 ppm1      2.035 ppm2      2.388 CV     1
 OR {  534}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {  538}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 50   and name HN  ))
      2.800     1.000     1.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.37137E-02 ppm1      1.776 ppm2      8.461 CV     1
 OR {  538}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI {  539}
   (( segid "    " and resid 119  and name HB2 ))
   (( segid "    " and resid 119  and name HN  ))
      3.500     1.500     1.500 peak   539 spectrum    1 weight  0.10000E+01 volume  0.22702E-02 ppm1      1.761 ppm2      8.228 CV     1
 OR {  539}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  549}
   (( segid "    " and resid 143  and name HB1 ))
   (( segid "    " and resid 13   and name HD21))
      3.800     1.800     2.200 peak   549 spectrum    1 weight  0.10000E+01 volume  0.10900E-02 ppm1      1.665 ppm2      7.278 CV     1
 OR {  549}
   (( segid "    " and resid 143  and name HB2 ))
   (( segid "    " and resid 13   and name HD21))
 ASSI {  572}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.000     1.000 peak   572 spectrum    1 weight  0.10000E+01 volume  0.35089E-02 ppm1      2.088 ppm2      8.181 CV     1
 OR {  572}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
 OR {  572}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
 OR {  572}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  576}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      4.900     3.000     1.100 peak   576 spectrum    1 weight  0.10000E+01 volume  0.92437E-03 ppm1      2.054 ppm2      4.886 CV     1
 OR {  576}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 27   and name HA  ))
 OR {  576}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  582}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 127  and name HA  ))
      2.400     0.700     0.700 peak   582 spectrum    1 weight  0.10000E+01 volume  0.50863E-02 ppm1      2.090 ppm2      3.627 CV     1
 OR {  582}
   (( segid "    " and resid 127  and name HB1 ))
   (( segid "    " and resid 127  and name HA  ))
 OR {  582}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 130  and name HA  ))
 OR {  582}
   (( segid "    " and resid 127  and name HB1 ))
   (( segid "    " and resid 130  and name HA  ))
 ASSI {  602}
   (( segid "    " and resid 147  and name HG2 ))
   (( segid "    " and resid 147  and name HA  ))
      4.000     2.000     2.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.24927E-02 ppm1      2.000 ppm2      4.370 CV     1
 OR {  602}
   (( segid "    " and resid 147  and name HG1 ))
   (( segid "    " and resid 147  and name HA  ))
 OR {  602}
   (( segid "    " and resid 147  and name HG1 ))
   (( segid "    " and resid 146  and name HA  ))
 OR {  602}
   (( segid "    " and resid 147  and name HG2 ))
   (( segid "    " and resid 146  and name HA  ))
 ASSI {  615}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HN  ))
      3.400     1.500     1.500 peak   615 spectrum    1 weight  0.10000E+01 volume  0.65534E-03 ppm1      1.225 ppm2      8.724 CV     1
 OR {  615}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 75   and name HN  ))
 OR {  615}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  626}
   (( segid "    " and resid 85   and name HG1 ))
   (  segid "    " and resid 83   and name HG1%)
      3.000     1.100     2.100 peak   626 spectrum    1 weight  0.10000E+01 volume  0.29428E-02 ppm1      1.254 ppm2      0.859 CV     1
 OR {  626}
   (( segid "    " and resid 85   and name HG2 ))
   (  segid "    " and resid 83   and name HG1%)
 OR {  626}
   (( segid "    " and resid 85   and name HG1 ))
   (  segid "    " and resid 83   and name HG2%)
 OR {  626}
   (( segid "    " and resid 85   and name HG2 ))
   (  segid "    " and resid 83   and name HG2%)
 OR {  626}
   (( segid "    " and resid 75   and name HG1 ))
   (  segid "    " and resid 73   and name HD2%)
 ASSI {  628}
   (  segid "    " and resid 141  and name HB% )
   (( segid "    " and resid 138  and name HN  ))
      3.000     1.100     1.100 peak   628 spectrum    1 weight  0.10000E+01 volume  0.18767E-02 ppm1      1.162 ppm2      9.140 CV     1
 OR {  628}
   (  segid "    " and resid 141  and name HB% )
   (( segid "    " and resid 110  and name HN  ))
 ASSI {  629}
   (  segid "    " and resid 141  and name HB% )
   (( segid "    " and resid 109  and name HN  ))
      3.800     1.800     1.500 peak   629 spectrum    1 weight  0.10000E+01 volume  0.12397E-02 ppm1      1.160 ppm2      8.327 CV     1
 OR {  629}
   (  segid "    " and resid 141  and name HB% )
   (( segid "    " and resid 84   and name HN  ))
 OR {  629}
   (  segid "    " and resid 138  and name HG2%)
   (( segid "    " and resid 109  and name HN  ))
 ASSI {  639}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 58   and name HA  ))
      4.000     2.000     2.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.82996E-03 ppm1      1.166 ppm2      4.244 CV     1
 OR {  639}
   (  segid "    " and resid 141  and name HB% )
   (( segid "    " and resid 140  and name HA  ))
 ASSI {  681}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.000     1.000 peak   681 spectrum    1 weight  0.10000E+01 volume  0.24414E-02 ppm1      3.868 ppm2      8.212 CV     1
 OR {  681}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
 OR {  681}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  683}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
      3.300     1.500     1.300 peak   683 spectrum    1 weight  0.10000E+01 volume  0.13314E-02 ppm1      3.868 ppm2      4.791 CV     1
 OR {  683}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
 OR {  683}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  685}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.500     0.800     0.800 peak   685 spectrum    1 weight  0.10000E+01 volume  0.73114E-02 ppm1      3.847 ppm2      4.471 CV     1
 OR {  685}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI {  686}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.500     0.800     0.800 peak   686 spectrum    1 weight  0.10000E+01 volume  0.89790E-02 ppm1      3.870 ppm2      4.441 CV     1
 OR {  686}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  686}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
 ASSI {  692}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 27   and name HG1 ))
      4.100     2.100     1.900 peak   692 spectrum    1 weight  0.10000E+01 volume  0.13451E-02 ppm1      3.866 ppm2      1.664 CV     1
 OR {  692}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  692}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 50   and name HD1 ))
 OR {  692}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 50   and name HD2 ))
 OR {  692}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 26   and name HD2 ))
 OR {  692}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 26   and name HD1 ))
 OR {  692}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 26   and name HD2 ))
 ASSI {  712}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      4.400     2.500     1.600 peak   712 spectrum    1 weight  0.10000E+01 volume  0.10335E-02 ppm1      4.168 ppm2      8.206 CV     1
 OR {  712}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  714}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 4    and name HA  ))
      4.000     2.000     2.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.12417E-02 ppm1      4.164 ppm2      4.778 CV     1
 ASSI {  726}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB  ))
      2.200     0.600     0.600 peak   726 spectrum    1 weight  0.10000E+01 volume  0.80155E-02 ppm1      4.163 ppm2      2.101 CV     1
 OR {  726}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  727}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
      3.300     1.400     1.400 peak   727 spectrum    1 weight  0.10000E+01 volume  0.89314E-03 ppm1      4.163 ppm2      1.259 CV     1
 OR {  727}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 47   and name HB% )
 ASSI {  741}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      3.000     1.200     0.700 peak   741 spectrum    1 weight  0.10000E+01 volume  0.64275E-02 ppm1      4.339 ppm2      8.480 CV     1
 OR {  741}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  752}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      5.000     3.100     1.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.65325E-03 ppm1      4.340 ppm2      2.733 CV     1
 OR {  752}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  755}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.500     0.800     0.800 peak   755 spectrum    1 weight  0.10000E+01 volume  0.77435E-02 ppm1      4.340 ppm2      2.117 CV     1
 OR {  755}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 89   and name HB2 ))
 ASSI {  759}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 145  and name HN  ))
      2.800     1.000     0.800 peak   759 spectrum    1 weight  0.10000E+01 volume  0.22066E-01 ppm1      4.265 ppm2      8.575 CV     1
 OR {  759}
   (( segid "    " and resid 145  and name HA  ))
   (( segid "    " and resid 145  and name HN  ))
 ASSI {  761}
   (( segid "    " and resid 145  and name HA  ))
   (( segid "    " and resid 146  and name HN  ))
      1.800     0.400     0.400 peak   761 spectrum    1 weight  0.10000E+01 volume  0.21395E-01 ppm1      4.273 ppm2      8.192 CV     1
 OR {  761}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HN  ))
 ASSI {  776}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HG2 ))
      2.800     0.900     0.900 peak   776 spectrum    1 weight  0.10000E+01 volume  0.77280E-02 ppm1      4.266 ppm2      2.240 CV     1
 OR {  776}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HG1 ))
 OR {  776}
   (( segid "    " and resid 145  and name HA  ))
   (( segid "    " and resid 145  and name HG1 ))
 OR {  776}
   (( segid "    " and resid 145  and name HA  ))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI {  779}
   (( segid "    " and resid 145  and name HA  ))
   (( segid "    " and resid 145  and name HB2 ))
      2.400     0.600     0.600 peak   779 spectrum    1 weight  0.10000E+01 volume  0.14667E-01 ppm1      4.267 ppm2      1.993 CV     1
 OR {  779}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HB1 ))
 OR {  779}
   (( segid "    " and resid 145  and name HA  ))
   (( segid "    " and resid 145  and name HB1 ))
 OR {  779}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 145  and name HB1 ))
 OR {  779}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 145  and name HB2 ))
 ASSI {  781}
   (( segid "    " and resid 145  and name HA  ))
   (  segid "    " and resid 146  and name HG1%)
      3.400     1.400     1.400 peak   781 spectrum    1 weight  0.10000E+01 volume  0.64841E-02 ppm1      4.255 ppm2      0.928 CV     1
 OR {  781}
   (( segid "    " and resid 145  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
 OR {  781}
   (( segid "    " and resid 140  and name HA  ))
   (( segid "    " and resid 22   and name HG  ))
 OR {  781}
   (( segid "    " and resid 148  and name HA  ))
   (  segid "    " and resid 146  and name HG1%)
 ASSI {  790}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.800     1.800     1.800 peak   790 spectrum    1 weight  0.10000E+01 volume  0.11215E-02 ppm1      4.350 ppm2      7.567 CV     1
 OR {  790}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HD22))
 ASSI {  794}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.700     0.900     0.900 peak   794 spectrum    1 weight  0.10000E+01 volume  0.49482E-02 ppm1      4.350 ppm2      2.843 CV     1
 OR {  794}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  794}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  795}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.400     0.700     0.700 peak   795 spectrum    1 weight  0.10000E+01 volume  0.51270E-02 ppm1      4.350 ppm2      1.225 CV     1
 OR {  795}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  795}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
 OR {  795}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
 OR {  795}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  795}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  796}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 25   and name HD2%)
      2.700     0.900     0.900 peak   796 spectrum    1 weight  0.10000E+01 volume  0.52228E-02 ppm1      4.352 ppm2      0.668 CV     1
 OR {  796}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 45   and name HG2%)
 ASSI {  804}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 115  and name HN  ))
      2.800     1.000     1.000 peak   804 spectrum    1 weight  0.10000E+01 volume  0.84381E-02 ppm1      4.395 ppm2      8.579 CV     1
 OR {  804}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 116  and name HN  ))
 ASSI {  816}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 120  and name HG2 ))
      3.700     1.700     1.700 peak   816 spectrum    1 weight  0.10000E+01 volume  0.36200E-02 ppm1      4.379 ppm2      1.431 CV     1
 OR {  816}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 111  and name HG2 ))
 OR {  816}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 120  and name HB2 ))
 ASSI {  825}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.400     0.600     0.500 peak   825 spectrum    1 weight  0.10000E+01 volume  0.76511E-02 ppm1      4.227 ppm2      8.461 CV     1
 OR {  825}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI {  835}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 44   and name HB2 ))
      2.400     0.700     0.700 peak   835 spectrum    1 weight  0.10000E+01 volume  0.15629E-02 ppm1      4.241 ppm2      2.351 CV     1
 OR {  835}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 6    and name HG1 ))
 ASSI {  836}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HG2 ))
      3.500     1.500     1.500 peak   836 spectrum    1 weight  0.10000E+01 volume  0.34405E-02 ppm1      4.229 ppm2      2.156 CV     1
 OR {  836}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HG1 ))
 OR {  836}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {  836}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI {  839}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 47   and name HB% )
      2.800     1.000     0.600 peak   839 spectrum    1 weight  0.10000E+01 volume  0.72548E-02 ppm1      4.219 ppm2      1.257 CV     1
 OR {  839}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI {  841}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 73   and name HD2%)
      3.400     1.500     1.500 peak   841 spectrum    1 weight  0.10000E+01 volume  0.11467E-02 ppm1      4.219 ppm2      0.839 CV     1
 OR {  841}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 73   and name HD2%)
 ASSI {  842}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 73   and name HD1%)
      2.800     1.000     1.000 peak   842 spectrum    1 weight  0.10000E+01 volume  0.43891E-02 ppm1      4.220 ppm2      0.637 CV     1
 OR {  842}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 73   and name HD1%)
 OR {  842}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 45   and name HG2%)
 OR {  842}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 45   and name HG2%)
 ASSI {  899}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 30   and name HN  ))
      3.300     1.400     1.400 peak   899 spectrum    1 weight  0.10000E+01 volume  0.13499E-02 ppm1      1.453 ppm2      7.345 CV     1
 OR {  899}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HN  ))
 OR {  899}
   (( segid "    " and resid 41   and name HG12))
   (  segid "    " and resid 31   and name HD% )
 ASSI {  900}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 6    and name HE21))
      5.000     3.200     1.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.81878E-03 ppm1      1.447 ppm2      6.841 CV     1
 OR {  900}
   (( segid "    " and resid 27   and name HG2 ))
   (  segid "    " and resid 27   and name HE  )
 ASSI {  901}
   (( segid "    " and resid 41   and name HG11))
   (( segid "    " and resid 35   and name HA  ))
      3.500     1.600     1.600 peak   901 spectrum    1 weight  0.10000E+01 volume  0.91928E-03 ppm1      1.440 ppm2      4.886 CV     1
 OR {  901}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HA  ))
 OR {  901}
   (( segid "    " and resid 41   and name HG12))
   (( segid "    " and resid 61   and name HA  ))
 OR {  901}
   (( segid "    " and resid 41   and name HG12))
   (( segid "    " and resid 35   and name HA  ))
 OR {  901}
   (( segid "    " and resid 41   and name HG11))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  905}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 41   and name HN  ))
      3.600     1.600     1.600 peak   905 spectrum    1 weight  0.10000E+01 volume  0.78577E-03 ppm1      1.365 ppm2      9.092 CV     1
 OR {  905}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 89   and name HN  ))
 OR {  905}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 41   and name HN  ))
 OR {  905}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 85   and name HN  ))
 ASSI {  921}
   (( segid "    " and resid 2    and name HE2 ))
   (( segid "    " and resid 2    and name HG2 ))
      2.400     0.700     0.700 peak   921 spectrum    1 weight  0.10000E+01 volume  0.99189E-02 ppm1      3.031 ppm2      1.487 CV     1
 OR {  921}
   (( segid "    " and resid 2    and name HE1 ))
   (( segid "    " and resid 2    and name HG1 ))
 OR {  921}
   (( segid "    " and resid 99   and name HE2 ))
   (( segid "    " and resid 99   and name HG1 ))
 OR {  921}
   (( segid "    " and resid 2    and name HE1 ))
   (( segid "    " and resid 2    and name HG2 ))
 OR {  921}
   (( segid "    " and resid 99   and name HE1 ))
   (( segid "    " and resid 99   and name HG1 ))
 OR {  921}
   (( segid "    " and resid 99   and name HE2 ))
   (( segid "    " and resid 99   and name HG2 ))
 OR {  921}
   (( segid "    " and resid 2    and name HE2 ))
   (( segid "    " and resid 2    and name HG1 ))
 OR {  921}
   (( segid "    " and resid 99   and name HE1 ))
   (( segid "    " and resid 99   and name HG2 ))
 ASSI {  923}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 134  and name HD% )
      4.500     2.500     1.500 peak   923 spectrum    1 weight  0.10000E+01 volume  0.58136E-03 ppm1      0.697 ppm2      6.624 CV     1
 OR {  923}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 122  and name HD% )
 ASSI {  926}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 122  and name HB2 ))
      3.900     1.900     1.900 peak   926 spectrum    1 weight  0.10000E+01 volume  0.14980E-02 ppm1      0.909 ppm2      2.684 CV     1
 OR {  926}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  927}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 122  and name HB2 ))
      3.700     1.700     1.700 peak   927 spectrum    1 weight  0.10000E+01 volume  0.13673E-02 ppm1      0.609 ppm2      2.679 CV     1
 OR {  927}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  929}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HB  ))
      2.600     0.800     0.800 peak   929 spectrum    1 weight  0.10000E+01 volume  0.30228E-02 ppm1      0.610 ppm2      1.867 CV     1
 OR {  929}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 43   and name HB2 ))
 OR {  929}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  930}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 61   and name HB  ))
      5.100     3.200     0.900 peak   930 spectrum    1 weight  0.10000E+01 volume  0.10946E-02 ppm1      0.610 ppm2      1.703 CV     1
 OR {  930}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 43   and name HB1 ))
 ASSI {  932}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 61   and name HG12))
      4.500     2.500     1.500 peak   932 spectrum    1 weight  0.10000E+01 volume  0.14090E-02 ppm1      0.612 ppm2      1.630 CV     1
 OR {  932}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 61   and name HG11))
 ASSI {  935}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 40   and name HG1 ))
      4.600     2.600     1.400 peak   935 spectrum    1 weight  0.10000E+01 volume  0.11924E-02 ppm1      0.610 ppm2      1.294 CV     1
 OR {  935}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 40   and name HG2 ))
 OR {  935}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 70   and name HB% )
 ASSI {  936}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 41   and name HG2%)
      1.900     0.500     0.500 peak   936 spectrum    1 weight  0.10000E+01 volume  0.12701E-01 ppm1      0.608 ppm2      0.879 CV     1
 OR {  936}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 33   and name HD1%)
 ASSI {  945}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      2.900     1.100     1.100 peak   945 spectrum    1 weight  0.10000E+01 volume  0.15747E-02 ppm1      0.607 ppm2      4.906 CV     1
 OR {  945}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  947}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 40   and name HA  ))
      5.200     3.400     0.800 peak   947 spectrum    1 weight  0.10000E+01 volume  0.61658E-03 ppm1      0.611 ppm2      4.614 CV     1
 OR {  947}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 59   and name HA  ))
 ASSI {  948}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 32   and name HA  ))
      4.100     2.100     1.900 peak   948 spectrum    1 weight  0.10000E+01 volume  0.11855E-02 ppm1      0.604 ppm2      5.480 CV     1
 OR {  948}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  949}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 134  and name HD% )
      3.300     1.300     1.300 peak   949 spectrum    1 weight  0.10000E+01 volume  0.26815E-02 ppm1      0.609 ppm2      6.630 CV     1
 OR {  949}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 134  and name HD% )
 OR {  949}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 122  and name HD% )
 OR {  949}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 122  and name HD% )
 ASSI {  950}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 31   and name HD% )
      3.700     1.700     1.700 peak   950 spectrum    1 weight  0.10000E+01 volume  0.24109E-02 ppm1      0.610 ppm2      7.266 CV     1
 OR {  950}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 125  and name HE% )
 ASSI {  955}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      5.500     3.200     0.500 peak   955 spectrum    1 weight  0.10000E+01 volume  0.75264E-03 ppm1      0.609 ppm2      8.211 CV     1
 OR {  955}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 40   and name HN  ))
 ASSI {  959}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 41   and name HN  ))
      4.700     2.700     1.300 peak   959 spectrum    1 weight  0.10000E+01 volume  0.88135E-03 ppm1      0.907 ppm2      9.093 CV     1
 OR {  959}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 135  and name HN  ))
 ASSI {  960}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 122  and name HN  ))
      3.200     1.300     1.300 peak   960 spectrum    1 weight  0.10000E+01 volume  0.22318E-02 ppm1      0.907 ppm2      8.794 CV     1
 OR {  960}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 121  and name HN  ))
 ASSI {  966}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 122  and name HD% )
      2.900     1.000     1.000 peak   966 spectrum    1 weight  0.10000E+01 volume  0.26291E-02 ppm1      0.904 ppm2      6.618 CV     1
 OR {  966}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 134  and name HD% )
 ASSI {  967}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HA  ))
      4.500     2.500     1.500 peak   967 spectrum    1 weight  0.10000E+01 volume  0.13395E-02 ppm1      0.900 ppm2      4.889 CV     1
 OR {  967}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  969}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HA  ))
      5.200     3.400     0.800 peak   969 spectrum    1 weight  0.10000E+01 volume  0.74229E-03 ppm1      0.903 ppm2      5.487 CV     1
 OR {  969}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  971}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
      2.900     2.900     3.100 peak   971 spectrum    1 weight  0.10000E+01 volume  0.56698E-03 ppm1      0.689 ppm2      5.469 CV     1
 OR {  971}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 32   and name HA  ))
 OR {  971}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 34   and name HA  ))
 ASSI {  976}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG12))
      2.200     0.600     0.600 peak   976 spectrum    1 weight  0.10000E+01 volume  0.66420E-02 ppm1      0.906 ppm2      1.409 CV     1
 OR {  976}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG11))
 OR {  976}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 120  and name HG2 ))
 OR {  976}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 41   and name HG11))
 OR {  976}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 41   and name HG12))
 ASSI {  987}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 122  and name HB2 ))
      3.900     1.900     1.900 peak   987 spectrum    1 weight  0.10000E+01 volume  0.16065E-02 ppm1      0.960 ppm2      2.880 CV     1
 OR {  987}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name HE1 ))
 OR {  987}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  991}
   (  segid "    " and resid 70   and name HB% )
   (  segid "    " and resid 59   and name HG2%)
      3.500     1.500     1.500 peak   991 spectrum    1 weight  0.10000E+01 volume  0.27726E-02 ppm1      1.314 ppm2      1.178 CV     1
 OR {  991}
   (  segid "    " and resid 70   and name HB% )
   (  segid "    " and resid 57   and name HB% )
 ASSI {  994}
   (  segid "    " and resid 70   and name HB% )
   (  segid "    " and resid 61   and name HD1%)
      3.300     1.500     1.500 peak   994 spectrum    1 weight  0.10000E+01 volume  0.51951E-02 ppm1      1.311 ppm2      0.698 CV     1
 ASSI { 1002}
   (  segid "    " and resid 70   and name HB% )
   (( segid "    " and resid 59   and name HB  ))
      3.300     1.500     1.000 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.37027E-02 ppm1      1.309 ppm2      1.873 CV     1
 OR { 1002}
   (  segid "    " and resid 70   and name HB% )
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 1004}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 119  and name HB1 ))
      3.900     1.900     1.900 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.16401E-02 ppm1      0.958 ppm2      2.060 CV     1
 OR { 1004}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 42   and name HG1 ))
 ASSI { 1007}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HG12))
      2.700     0.900     0.900 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.32258E-02 ppm1      0.961 ppm2      1.414 CV     1
 OR { 1007}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 120  and name HG2 ))
 OR { 1007}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HG11))
 OR { 1007}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 120  and name HB2 ))
 ASSI { 1009}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HB  ))
      2.100     0.600     0.600 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.57013E-02 ppm1      0.869 ppm2      1.863 CV     1
 OR { 1009}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 1019}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 119  and name HB2 ))
      3.200     1.300     1.300 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.20198E-02 ppm1      0.959 ppm2      1.756 CV     1
 OR { 1019}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 43   and name HB1 ))
 ASSI { 1024}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     0.600 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.80703E-02 ppm1      1.031 ppm2      4.253 CV     1
 ASSI { 1028}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
      4.500     2.500     1.500 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.66933E-03 ppm1      1.027 ppm2      3.992 CV     1
 ASSI { 1031}
   (  segid "    " and resid 70   and name HB% )
   (( segid "    " and resid 104  and name HB1 ))
      3.600     1.600     1.400 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.25487E-02 ppm1      1.313 ppm2      5.123 CV     1
 OR { 1031}
   (  segid "    " and resid 70   and name HB% )
   (( segid "    " and resid 89   and name HA  ))
 ASSI { 1033}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      4.200     2.200     1.800 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.12077E-02 ppm1      0.963 ppm2      5.498 CV     1
 OR { 1033}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
 ASSI { 1035}
   (  segid "    " and resid 41   and name HG2%)
   (  segid "    " and resid 134  and name HD% )
      3.800     1.800     1.800 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.12513E-02 ppm1      0.868 ppm2      6.621 CV     1
 OR { 1035}
   (  segid "    " and resid 41   and name HG2%)
   (  segid "    " and resid 122  and name HD% )
 ASSI { 1036}
   (  segid "    " and resid 33   and name HG2%)
   (  segid "    " and resid 31   and name HD% )
      4.000     2.000     2.000 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.79413E-03 ppm1      0.963 ppm2      7.283 CV     1
 OR { 1036}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 136  and name HZ3 ))
 ASSI { 1037}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name HN  ))
      4.100     2.100     1.900 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.91642E-03 ppm1      1.026 ppm2      8.878 CV     1
 OR { 1037}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 1040}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 44   and name HN  ))
      3.300     1.400     1.400 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.16665E-02 ppm1      1.033 ppm2      8.121 CV     1
 OR { 1040}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HN  ))
 OR { 1040}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1043}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 60   and name HN  ))
      4.200     2.200     1.800 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.61083E-03 ppm1      1.033 ppm2      9.763 CV     1
 OR { 1043}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1047}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
      3.400     1.500     1.500 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.12440E-02 ppm1      0.867 ppm2      9.350 CV     1
 OR { 1047}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1049}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 25   and name HD1%)
      3.000     1.100     1.100 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.38497E-02 ppm1      0.639 ppm2     -0.008 CV     1
 OR { 1049}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 22   and name HD1%)
 ASSI { 1113}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 93   and name HD2 ))
      4.500     2.500     1.500 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.80056E-03 ppm1      0.319 ppm2      4.082 CV     1
 OR { 1113}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 91   and name HA1 ))
 ASSI { 1114}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 69   and name HB1 ))
      4.900     3.000     1.100 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.69954E-03 ppm1      0.317 ppm2      3.090 CV     1
 OR { 1114}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 60   and name HB1 ))
 ASSI { 1115}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 66   and name HE1 ))
      3.000     3.000     3.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.63784E-03 ppm1      0.320 ppm2      2.970 CV     1
 OR { 1115}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 66   and name HE2 ))
 OR { 1115}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 88   and name HB2 ))
 ASSI { 1133}
   (( segid "    " and resid 89   and name HG1 ))
   (( segid "    " and resid 90   and name HN  ))
      3.300     1.500     2.000 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.20290E-02 ppm1      2.306 ppm2      9.203 CV     1
 OR { 1133}
   (( segid "    " and resid 89   and name HG1 ))
   (( segid "    " and resid 88   and name HN  ))
 ASSI { 1134}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HN  ))
      3.700     1.700     1.700 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.15295E-02 ppm1      2.295 ppm2      8.203 CV     1
 OR { 1134}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 1134}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 1134}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 146  and name HN  ))
 ASSI { 1140}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 145  and name HN  ))
      3.500     1.500     1.500 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.30199E-02 ppm1      2.234 ppm2      8.576 CV     1
 OR { 1140}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 145  and name HN  ))
 OR { 1140}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 145  and name HN  ))
 OR { 1140}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 145  and name HN  ))
 ASSI { 1142}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HN  ))
      3.100     1.200     1.200 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.39631E-02 ppm1      2.230 ppm2      8.202 CV     1
 OR { 1142}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 144  and name HN  ))
 OR { 1142}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HN  ))
 OR { 1142}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 146  and name HN  ))
 ASSI { 1143}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HA  ))
      2.800     1.000     0.900 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.75256E-02 ppm1      2.234 ppm2      4.267 CV     1
 OR { 1143}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 144  and name HA  ))
 OR { 1143}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 145  and name HA  ))
 OR { 1143}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 145  and name HA  ))
 ASSI { 1158}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 4    and name HD21))
      3.400     1.500     1.500 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.15301E-02 ppm1      1.686 ppm2      7.585 CV     1
 OR { 1158}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 4    and name HD21))
 OR { 1158}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 26   and name HN  ))
 OR { 1158}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1159}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 4    and name HA  ))
      3.400     1.500     1.500 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.96541E-03 ppm1      1.697 ppm2      4.822 CV     1
 OR { 1159}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 4    and name HA  ))
 OR { 1159}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 75   and name HA  ))
 OR { 1159}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 75   and name HA  ))
 OR { 1159}
   (( segid "    " and resid 111  and name HD1 ))
   (( segid "    " and resid 142  and name HA  ))
 OR { 1159}
   (( segid "    " and resid 111  and name HD2 ))
   (( segid "    " and resid 142  and name HA  ))
 ASSI { 1160}
   (( segid "    " and resid 111  and name HD1 ))
   (( segid "    " and resid 111  and name HA  ))
      3.600     1.600     1.600 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.26642E-02 ppm1      1.692 ppm2      4.540 CV     1
 OR { 1160}
   (( segid "    " and resid 111  and name HD1 ))
   (( segid "    " and resid 111  and name HA  ))
 OR { 1160}
   (( segid "    " and resid 111  and name HD2 ))
   (( segid "    " and resid 111  and name HA  ))
 OR { 1160}
   (( segid "    " and resid 111  and name HD2 ))
   (( segid "    " and resid 111  and name HA  ))
 OR { 1160}
   (( segid "    " and resid 111  and name HD2 ))
   (( segid "    " and resid 139  and name HA  ))
 OR { 1160}
   (( segid "    " and resid 111  and name HD2 ))
   (( segid "    " and resid 139  and name HA  ))
 OR { 1160}
   (( segid "    " and resid 111  and name HD1 ))
   (( segid "    " and resid 139  and name HA  ))
 ASSI { 1267}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 87   and name HN  ))
      3.500     1.500     1.500 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.27853E-02 ppm1      0.511 ppm2      8.713 CV     1
 OR { 1267}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
 OR { 1267}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1270}
   (  segid "    " and resid 77   and name HD1%)
   (  segid "    " and resid 108  and name HD% )
      4.100     2.100     1.900 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.10135E-02 ppm1      0.512 ppm2      6.730 CV     1
 OR { 1270}
   (  segid "    " and resid 86   and name HD1%)
   (  segid "    " and resid 106  and name HD% )
 OR { 1270}
   (  segid "    " and resid 86   and name HD1%)
   (  segid "    " and resid 108  and name HD% )
 OR { 1270}
   (  segid "    " and resid 77   and name HD2%)
   (  segid "    " and resid 108  and name HD% )
 ASSI { 1271}
   (  segid "    " and resid 86   and name HD1%)
   (  segid "    " and resid 108  and name HE% )
      3.600     1.600     1.600 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.13457E-02 ppm1      0.517 ppm2      6.460 CV     1
 OR { 1271}
   (  segid "    " and resid 77   and name HD2%)
   (  segid "    " and resid 108  and name HE% )
 ASSI { 1272}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      3.300     1.500     1.000 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.22565E-02 ppm1      0.507 ppm2      5.358 CV     1
 OR { 1272}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
 OR { 1272}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 88   and name HA  ))
 ASSI { 1275}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HA  ))
      2.600     0.900     0.900 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.56348E-02 ppm1      0.513 ppm2      5.032 CV     1
 OR { 1275}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 OR { 1275}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 OR { 1275}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 1277}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 141  and name HA  ))
      3.400     1.500     1.500 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.13585E-02 ppm1      0.505 ppm2      4.546 CV     1
 OR { 1277}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 OR { 1277}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
 OR { 1277}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 141  and name HA  ))
 OR { 1277}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 141  and name HA  ))
 ASSI { 1278}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
      4.600     2.700     1.400 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.66218E-03 ppm1      0.501 ppm2      4.363 CV     1
 OR { 1278}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 22   and name HA  ))
 OR { 1278}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 109  and name HA  ))
 ASSI { 1279}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 9    and name HA  ))
      3.300     1.500     1.100 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.15954E-02 ppm1      0.511 ppm2      3.665 CV     1
 OR { 1279}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 9    and name HA  ))
 OR { 1279}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1283}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HB1 ))
      2.900     1.100     1.100 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.26741E-02 ppm1      0.513 ppm2      1.624 CV     1
 OR { 1283}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 86   and name HB1 ))
 OR { 1283}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 86   and name HB1 ))
 ASSI { 1284}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 140  and name HB1 ))
      3.800     1.800     1.800 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.13311E-02 ppm1      0.511 ppm2      1.438 CV     1
 OR { 1284}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 140  and name HB1 ))
 OR { 1284}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 72   and name HG1 ))
 OR { 1284}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 140  and name HB2 ))
 OR { 1284}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 41   and name HG12))
 OR { 1284}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 85   and name HD1 ))
 OR { 1284}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 140  and name HB2 ))
 OR { 1284}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 85   and name HD2 ))
 OR { 1284}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 85   and name HD1 ))
 OR { 1284}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 85   and name HD2 ))
 OR { 1284}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 85   and name HD1 ))
 OR { 1284}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 85   and name HD2 ))
 ASSI { 1285}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HG  ))
      1.900     0.500     0.500 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.16748E-01 ppm1      0.510 ppm2      1.324 CV     1
 OR { 1285}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HG  ))
 OR { 1285}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
 OR { 1285}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HB2 ))
 OR { 1285}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HB1 ))
 OR { 1285}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 84   and name HG  ))
 OR { 1285}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 84   and name HB2 ))
 ASSI { 1302}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 99   and name HN  ))
      3.100     1.200     1.200 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.31594E-02 ppm1      1.480 ppm2      8.232 CV     1
 OR { 1302}
   (( segid "    " and resid 99   and name HG1 ))
   (( segid "    " and resid 99   and name HN  ))
 OR { 1302}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 1304}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 97   and name HA  ))
      3.700     3.700     2.300 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.22269E-02 ppm1      1.447 ppm2      4.482 CV     1
 OR { 1304}
   (( segid "    " and resid 99   and name HG1 ))
   (( segid "    " and resid 97   and name HA  ))
 ASSI { 1314}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 99   and name HD2 ))
      1.700     0.300     0.500 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.39505E-01 ppm1      1.455 ppm2      1.691 CV     1
 OR { 1314}
   (( segid "    " and resid 111  and name HG2 ))
   (( segid "    " and resid 111  and name HD2 ))
 OR { 1314}
   (( segid "    " and resid 111  and name HG1 ))
   (( segid "    " and resid 111  and name HD1 ))
 OR { 1314}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 26   and name HD2 ))
 OR { 1314}
   (( segid "    " and resid 99   and name HG1 ))
   (( segid "    " and resid 99   and name HD1 ))
 OR { 1314}
   (( segid "    " and resid 99   and name HG1 ))
   (( segid "    " and resid 99   and name HD2 ))
 OR { 1314}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 99   and name HD1 ))
 OR { 1314}
   (( segid "    " and resid 111  and name HG2 ))
   (( segid "    " and resid 111  and name HD1 ))
 OR { 1314}
   (( segid "    " and resid 111  and name HG1 ))
   (( segid "    " and resid 111  and name HD2 ))
 ASSI { 1320}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 111  and name HN  ))
      2.100     2.100     3.900 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.36687E-02 ppm1      0.635 ppm2      6.926 CV     1
 OR { 1320}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 136  and name HD1 ))
 ASSI { 1323}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 139  and name HA  ))
      2.500     2.500     3.500 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.13069E-02 ppm1      0.635 ppm2      4.566 CV     1
 OR { 1323}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 141  and name HA  ))
 OR { 1323}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 118  and name HA  ))
 ASSI { 1328}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 21   and name HB1 ))
      2.000     2.000     4.000 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.53735E-02 ppm1      0.637 ppm2      2.908 CV     1
 OR { 1328}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 108  and name HB1 ))
 OR { 1328}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 27   and name HD1 ))
 OR { 1328}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 4    and name HB1 ))
 OR { 1328}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 137  and name HB2 ))
 OR { 1328}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 111  and name HE1 ))
 ASSI { 1329}
   (  segid "    " and resid 140  and name HD2%)
   (  segid "    " and resid 1    and name HE% )
      2.200     2.200     3.800 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.32002E-02 ppm1      0.635 ppm2      2.144 CV     1
 OR { 1329}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 21   and name HB2 ))
 ASSI { 1330}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 48   and name HB1 ))
      4.500     2.500     1.500 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.78105E-03 ppm1      0.633 ppm2      1.953 CV     1
 OR { 1330}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 144  and name HB2 ))
 OR { 1330}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 144  and name HB1 ))
 ASSI { 1343}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
      4.300     2.400     1.700 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.13445E-02 ppm1      0.678 ppm2      8.206 CV     1
 OR { 1343}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 4651}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      4.000     2.200     2.000 peak  4651 spectrum    1 weight  0.10000E+01 volume  0.13445E-02 ppm1      0.678 ppm2      8.756 CV     1
 ASSI { 1352}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 10   and name HD2 ))
      2.800     1.000     0.800 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.48843E-02 ppm1      0.675 ppm2      2.954 CV     1
 OR { 1352}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 21   and name HB1 ))
 ASSI { 1354}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
      3.300     1.500     2.700 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.56196E-02 ppm1      0.676 ppm2      1.782 CV     1
 OR { 1354}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 2    and name HB1 ))
 ASSI { 1355}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 19   and name HG  ))
      2.800     1.000     0.800 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.10124E-01 ppm1      0.675 ppm2      1.497 CV     1
 OR { 1355}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 19   and name HB1 ))
 OR { 1355}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 10   and name HG2 ))
 ASSI { 1367}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      3.300     1.500     1.100 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.33554E-02 ppm1      1.273 ppm2      4.769 CV     1
 OR { 1367}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 3    and name HA  ))
 ASSI { 1372}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
      3.900     1.900     1.900 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.24778E-02 ppm1      1.265 ppm2      2.575 CV     1
 OR { 1372}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 97   and name HB2 ))
 ASSI { 1373}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 128  and name HG1 ))
      3.300     1.500     1.000 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.39790E-02 ppm1      1.251 ppm2      2.407 CV     1
 OR { 1373}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 128  and name HG2 ))
 OR { 1373}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 100  and name HG2 ))
 OR { 1373}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 127  and name HG1 ))
 OR { 1373}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 6    and name HG2 ))
 ASSI { 1375}
   (  segid "    " and resid 96   and name HG2%)
   (  segid "    " and resid 100  and name HE% )
      3.300     1.500     1.500 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.50353E-02 ppm1      1.251 ppm2      2.114 CV     1
 OR { 1375}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 5    and name HB  ))
 OR { 1375}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 128  and name HB2 ))
 OR { 1375}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 95   and name HB2 ))
 OR { 1375}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 6    and name HB2 ))
 OR { 1375}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 127  and name HB2 ))
 OR { 1375}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 100  and name HB1 ))
 ASSI { 1376}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 26   and name HG1 ))
      4.000     2.000     2.000 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.12705E-02 ppm1      1.250 ppm2      2.009 CV     1
 OR { 1376}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 100  and name HB2 ))
 OR { 1376}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 6    and name HB1 ))
 ASSI { 1384}
   (  segid "    " and resid 109  and name HG2%)
   (( segid "    " and resid 110  and name HN  ))
      3.300     1.500     1.100 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.35530E-02 ppm1      0.891 ppm2      9.095 CV     1
 OR { 1384}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 135  and name HN  ))
 OR { 1384}
   (  segid "    " and resid 109  and name HG2%)
   (( segid "    " and resid 138  and name HN  ))
 OR { 1384}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 85   and name HN  ))
 OR { 1384}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 135  and name HN  ))
 OR { 1384}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 137  and name HN  ))
 ASSI { 1385}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 121  and name HN  ))
      2.600     0.900     0.900 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.97584E-02 ppm1      0.891 ppm2      8.781 CV     1
 OR { 1385}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 122  and name HN  ))
 OR { 1385}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 121  and name HN  ))
 OR { 1385}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 122  and name HN  ))
 ASSI { 1388}
   (  segid "    " and resid 121  and name HG1%)
   (  segid "    " and resid 122  and name HD% )
      4.700     2.700     1.300 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.86249E-03 ppm1      0.894 ppm2      6.626 CV     1
 OR { 1388}
   (  segid "    " and resid 121  and name HG2%)
   (  segid "    " and resid 134  and name HD% )
 OR { 1388}
   (  segid "    " and resid 121  and name HG1%)
   (  segid "    " and resid 134  and name HD% )
 ASSI { 1389}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 121  and name HA  ))
      2.200     0.600     0.600 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.15060E-01 ppm1      0.892 ppm2      4.306 CV     1
 OR { 1389}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 121  and name HA  ))
 OR { 1389}
   (  segid "    " and resid 109  and name HG2%)
   (( segid "    " and resid 109  and name HA  ))
 ASSI { 1443}
   (  segid "    " and resid 11   and name HG1%)
   (( segid "    " and resid 11   and name HN  ))
      2.800     1.000     1.000 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.39125E-02 ppm1      0.692 ppm2      8.855 CV     1
 ASSI { 1446}
   (  segid "    " and resid 11   and name HG1%)
   (  segid "    " and resid 79   and name HD% )
      3.300     1.400     1.600 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.22605E-02 ppm1      0.694 ppm2      6.810 CV     1
 OR { 1446}
   (  segid "    " and resid 11   and name HG1%)
   (  segid "    " and resid 20   and name HE% )
 ASSI { 1449}
   (  segid "    " and resid 11   and name HG1%)
   (( segid "    " and resid 11   and name HA  ))
      3.300     1.400     1.400 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.23481E-02 ppm1      0.692 ppm2      4.557 CV     1
 ASSI { 1450}
   (  segid "    " and resid 11   and name HG1%)
   (( segid "    " and resid 20   and name HB1 ))
      3.00     1.200     1.000 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.26144E-02 ppm1      0.693 ppm2      3.020 CV     1
 OR { 1450}
   (  segid "    " and resid 11   and name HG1%)
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 1451}
   (  segid "    " and resid 11   and name HG1%)
   (( segid "    " and resid 20   and name HB2 ))
      3.300     1.000     0.800 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.18547E-02 ppm1      0.694 ppm2      2.618 CV     1
 OR { 1451}
   (  segid "    " and resid 11   and name HG1%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 1462}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
      3.700     1.700     1.700 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.21222E-02 ppm1      1.199 ppm2      4.911 CV     1
 OR { 1462}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
 ASSI { 1466}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 38   and name HB2 ))
      4.500     2.500     1.500 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.15551E-02 ppm1      1.206 ppm2      2.845 CV     1
 OR { 1466}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 37   and name HB2 ))
 OR { 1466}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 122  and name HB2 ))
 ASSI { 1467}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 35   and name HB1 ))
      4.400     2.400     1.600 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.15578E-02 ppm1      1.206 ppm2      2.202 CV     1
 OR { 1467}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 33   and name HB  ))
 ASSI { 1475}
   (  segid "    " and resid 109  and name HG1%)
   (( segid "    " and resid 137  and name HA  ))
      3.000     1.100     1.100 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.36132E-02 ppm1      0.574 ppm2      5.509 CV     1
 OR { 1475}
   (  segid "    " and resid 109  and name HG1%)
   (( segid "    " and resid 108  and name HA  ))
 ASSI { 1479}
   (  segid "    " and resid 109  and name HG1%)
   (( segid "    " and resid 107  and name HB1 ))
      2.600     2.600     3.400 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.26057E-02 ppm1      0.574 ppm2      3.736 CV     1
 OR { 1479}
   (  segid "    " and resid 109  and name HG1%)
   (( segid "    " and resid 135  and name HB1 ))
 ASSI { 1480}
   (  segid "    " and resid 109  and name HG1%)
   (( segid "    " and resid 107  and name HB2 ))
      2.300     2.300     3.700 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.22293E-02 ppm1      0.575 ppm2      3.609 CV     1
 OR { 1480}
   (  segid "    " and resid 109  and name HG1%)
   (( segid "    " and resid 135  and name HB2 ))
 ASSI { 1483}
   (  segid "    " and resid 109  and name HG1%)
   (( segid "    " and resid 83   and name HB  ))
      4.500    2.500     1.500 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.82802E-03 ppm1      0.574 ppm2      1.990 CV     1
 ASSI { 1526}
   (( segid "    " and resid 127  and name HG1 ))
   (  segid "    " and resid 96   and name HG2%)
      4.000     2.000     2.000 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.12956E-02 ppm1      2.416 ppm2      1.258 CV     1
 OR { 1526}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 96   and name HG2%)
 OR { 1526}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 70   and name HB% )
 ASSI { 1535}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 145  and name HN  ))
      2.800     1.000     1.000 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.56629E-02 ppm1      1.989 ppm2      8.578 CV     1
 OR { 1535}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HN  ))
 ASSI { 1536}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 144  and name HN  ))
      3.100     1.200     1.200 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.49984E-02 ppm1      1.993 ppm2      8.201 CV     1
 OR { 1536}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 146  and name HN  ))
 OR { 1536}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 146  and name HN  ))
 ASSI { 1537}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HA  ))
      2.800     0.600     0.600 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.95172E-02 ppm1      1.988 ppm2      4.268 CV     1
 OR { 1537}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 144  and name HA  ))
 OR { 1537}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 145  and name HA  ))
 ASSI { 1539}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 145  and name HG2 ))
      2.200     0.600     0.600 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.13956E-01 ppm1      1.993 ppm2      2.236 CV     1
 OR { 1539}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 144  and name HG2 ))
 OR { 1539}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HG2 ))
 OR { 1539}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 145  and name HG1 ))
 OR { 1539}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HG1 ))
 OR { 1539}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 144  and name HG1 ))
 ASSI { 1564}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 66   and name HD1 ))
      2.000     0.500     0.500 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.14000E-01 ppm1      1.331 ppm2      1.672 CV     1
 OR { 1564}
   (( segid "    " and resid 66   and name HG1 ))
   (( segid "    " and resid 66   and name HD2 ))
 OR { 1564}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 40   and name HB1 ))
 OR { 1564}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HB2 ))
 OR { 1564}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 40   and name HB2 ))
 OR { 1564}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HB1 ))
 OR { 1564}
   (( segid "    " and resid 66   and name HG1 ))
   (( segid "    " and resid 66   and name HD1 ))
 OR { 1564}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 66   and name HD2 ))
 ASSI { 1570}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 25   and name HN  ))
      3.200     3.200     2.800 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.94681E-03 ppm1      0.546 ppm2      7.911 CV     1
 OR { 1570}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 140  and name HN  ))
 ASSI { 1571}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 26   and name HN  ))
      4.500     2.600     1.500 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.68755E-03 ppm1      0.544 ppm2      7.576 CV     1
 OR { 1571}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 44   and name HD21))
 ASSI { 1572}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 47   and name HN  ))
      4.300     2.300     1.700 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.98283E-03 ppm1      0.546 ppm2      7.280 CV     1
 OR { 1572}
   (  segid "    " and resid 45   and name HG1%)
   (  segid "    " and resid 31   and name HD% )
 ASSI { 1573}
   (  segid "    " and resid 45   and name HG1%)
   (  segid "    " and resid 108  and name HD% )
      4.100     2.100     1.900 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.98835E-03 ppm1      0.546 ppm2      6.716 CV     1
 OR { 1573}
   (  segid "    " and resid 45   and name HG1%)
   (  segid "    " and resid 106  and name HD% )
 ASSI { 1575}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.400     1.400 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.29685E-02 ppm1      0.544 ppm2      4.332 CV     1
 OR { 1575}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 22   and name HA  ))
 OR { 1575}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 138  and name HB  ))
 OR { 1575}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 6    and name HA  ))
 ASSI { 1578}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 46   and name HB1 ))
      3.900     1.900     1.900 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.14425E-02 ppm1      0.548 ppm2      3.091 CV     1
 OR { 1578}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 106  and name HB1 ))
 OR { 1578}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 44   and name HB1 ))
 ASSI { 1581}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 22   and name HB2 ))
      2.700     0.900     0.900 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.81422E-02 ppm1      0.546 ppm2      1.248 CV     1
 OR { 1581}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 22   and name HB1 ))
 OR { 1581}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 25   and name HB2 ))
 OR { 1581}
   (  segid "    " and resid 45   and name HG1%)
   (  segid "    " and resid 47   and name HB% )
 OR { 1581}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 75   and name HG1 ))
 ASSI { 1584}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 22   and name HG  ))
      2.600     2.600     3.400 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.16081E-01 ppm1      0.558 ppm2      0.917 CV     1
 OR { 1584}
   (  segid "    " and resid 45   and name HG1%)
   (  segid "    " and resid 59   and name HG1%)
 ASSI { 1587}
   (  segid "    " and resid 45   and name HG1%)
   (  segid "    " and resid 45   and name HG2%)
      2.800     1.000     1.000 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.22996E-01 ppm1      0.546 ppm2      0.642 CV     1
 OR { 1587}
   (  segid "    " and resid 45   and name HG1%)
   (  segid "    " and resid 86   and name HD2%)
 OR { 1587}
   (  segid "    " and resid 45   and name HG1%)
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 1589}
   (  segid "    " and resid 45   and name HG1%)
   (  segid "    " and resid 22   and name HD1%)
      2.900     1.100     1.100 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.48957E-02 ppm1      0.544 ppm2     -0.008 CV     1
 OR { 1589}
   (  segid "    " and resid 45   and name HG1%)
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 1598}
   (  segid "    " and resid 70   and name HB% )
   (( segid "    " and resid 71   and name HN  ))
      4.000     2.000     2.000 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.12263E-02 ppm1      1.311 ppm2      8.434 CV     1
 OR { 1598}
   (  segid "    " and resid 70   and name HB% )
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 1622}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 111  and name HA  ))
      3.800     1.800     1.800 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.21460E-02 ppm1      4.220 ppm2      4.547 CV     1
 OR { 1622}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 139  and name HA  ))
 ASSI { 1629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
      2.300     0.700     0.700 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.50966E-02 ppm1      4.226 ppm2      3.875 CV     1
 OR { 1629}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 3    and name HB1 ))
 OR { 1629}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HB2 ))
 ASSI { 1649}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 110  and name HB1 ))
      4.900     3.000     1.100 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.73868E-03 ppm1      4.364 ppm2      3.172 CV     1
 OR { 1649}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 142  and name HB2 ))
 OR { 1649}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 148  and name HD1 ))
 OR { 1649}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 148  and name HD2 ))
 ASSI { 1652}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 146  and name HB  ))
      2.600     0.900     0.900 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.56066E-02 ppm1      4.387 ppm2      2.044 CV     1
 OR { 1652}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 147  and name HG1 ))
 ASSI { 1653}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 84   and name HB1 ))
      5.200     3.300     0.800 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.59250E-03 ppm1      4.381 ppm2      1.767 CV     1
 OR { 1653}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 147  and name HB2 ))
 ASSI { 1659}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      3.100     1.200     1.200 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.17257E-02 ppm1      4.011 ppm2      8.220 CV     1
 OR { 1659}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 1676}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     1.000     0.900 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.34756E-02 ppm1      4.429 ppm2      8.212 CV     1
 OR { 1676}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
 OR { 1676}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 1725}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.200     2.200     1.800 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.90927E-03 ppm1      4.293 ppm2      2.790 CV     1
 OR { 1725}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 117  and name HB2 ))
 ASSI { 1733}
   (( segid "    " and resid 147  and name HD1 ))
   (( segid "    " and resid 146  and name HA  ))
      2.000     0.500     0.500 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.91627E-02 ppm1      3.871 ppm2      4.387 CV     1
 OR { 1733}
   (( segid "    " and resid 147  and name HD1 ))
   (( segid "    " and resid 147  and name HA  ))
 ASSI { 1737}
   (( segid "    " and resid 147  and name HD1 ))
   (( segid "    " and resid 147  and name HG2 ))
      2.300     0.700     0.700 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.60201E-02 ppm1      3.871 ppm2      2.005 CV     1
 OR { 1737}
   (( segid "    " and resid 147  and name HD1 ))
   (( segid "    " and resid 147  and name HG1 ))
 OR { 1737}
   (( segid "    " and resid 147  and name HD1 ))
   (( segid "    " and resid 146  and name HB  ))
 ASSI { 1742}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      4.600     2.700     1.400 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.56481E-03 ppm1      1.483 ppm2      6.920 CV     1
 OR { 1742}
   (( segid "    " and resid 123  and name HB1 ))
   (  segid "    " and resid 133  and name HD% )
 ASSI { 1747}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 48   and name HG1 ))
      4.200     2.200     1.800 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.75967E-03 ppm1      1.485 ppm2      2.142 CV     1
 OR { 1747}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 48   and name HG2 ))
 OR { 1747}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR { 1747}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 72   and name HE2 ))
 OR { 1747}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 72   and name HE1 ))
 ASSI { 1748}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 48   and name HB1 ))
      4.200     2.200     1.800 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.63099E-03 ppm1      1.478 ppm2      1.969 CV     1
 OR { 1748}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1754}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 73   and name HD2%)
      2.900     1.000     1.000 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.43031E-02 ppm1      1.482 ppm2      0.843 CV     1
 OR { 1754}
   (( segid "    " and resid 140  and name HB1 ))
   (  segid "    " and resid 140  and name HD1%)
 OR { 1754}
   (( segid "    " and resid 140  and name HB2 ))
   (  segid "    " and resid 140  and name HD1%)
 ASSI { 1756}
   (( segid "    " and resid 123  and name HB1 ))
   (  segid "    " and resid 123  and name HD2%)
      2.800     1.000     1.000 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.30153E-02 ppm1      1.483 ppm2      0.656 CV     1
 OR { 1756}
   (( segid "    " and resid 140  and name HB2 ))
   (  segid "    " and resid 140  and name HD2%)
 OR { 1756}
   (( segid "    " and resid 19   and name HB1 ))
   (  segid "    " and resid 19   and name HD1%)
 OR { 1756}
   (( segid "    " and resid 140  and name HB1 ))
   (  segid "    " and resid 140  and name HD2%)
 OR { 1756}
   (( segid "    " and resid 123  and name HB1 ))
   (  segid "    " and resid 123  and name HD1%)
 OR { 1756}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI { 1760}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      4.300     2.300     1.700 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.84202E-03 ppm1      1.161 ppm2      6.920 CV     1
 OR { 1760}
   (( segid "    " and resid 123  and name HB2 ))
   (  segid "    " and resid 133  and name HD% )
 ASSI { 1765}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 48   and name HG1 ))
      4.300     2.300     1.700 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.80562E-03 ppm1      1.180 ppm2      2.136 CV     1
 OR { 1765}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 48   and name HG2 ))
 OR { 1765}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 72   and name HE2 ))
 OR { 1765}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 72   and name HE1 ))
 OR { 1765}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI { 1771}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 72   and name HG1 ))
      3.400     3.400     2.600 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.38588E-02 ppm1      1.167 ppm2      1.367 CV     1
 OR { 1771}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 77   and name HB1 ))
 OR { 1771}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 84   and name HG  ))
 ASSI { 1778}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 73   and name HD1%)
      2.500     0.800     0.800 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.60581E-02 ppm1      1.167 ppm2      0.684 CV     1
 OR { 1778}
   (( segid "    " and resid 123  and name HB2 ))
   (  segid "    " and resid 123  and name HD1%)
 OR { 1778}
   (( segid "    " and resid 123  and name HB2 ))
   (  segid "    " and resid 123  and name HD2%)
 OR { 1778}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 19   and name HD1%)
 ASSI { 1783}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 4    and name HB1 ))
      3.300     3.300     2.700 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.50836E-02 ppm1      1.610 ppm2      2.905 CV     1
 OR { 1783}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 27   and name HD1 ))
 OR { 1783}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 108  and name HB1 ))
 OR { 1783}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 75   and name HE2 ))
 ASSI { 1791}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HG  ))
      1.900     0.500     0.500 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.11408E-01 ppm1      0.168 ppm2      1.334 CV     1
 OR { 1791}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HB2 ))
 OR { 1791}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
 OR { 1791}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 1792}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 77   and name HB2 ))
      3.200     1.300     1.300 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.39710E-02 ppm1      0.168 ppm2      1.171 CV     1
 OR { 1792}
   (  segid "    " and resid 84   and name HD1%)
   (  segid "    " and resid 141  and name HB% )
 ASSI { 1796}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.24220E-02 ppm1      0.168 ppm2      4.913 CV     1
 OR { 1796}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 142  and name HA  ))
 ASSI { 1799}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      3.700     1.800     1.800 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.13236E-02 ppm1      0.678 ppm2      4.554 CV     1
 OR { 1799}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 59   and name HA  ))
 OR { 1799}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 59   and name HA  ))
 ASSI { 1815}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 20   and name HN  ))
      3.200     3.200     2.800 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.64594E-03 ppm1      0.169 ppm2      9.296 CV     1
 OR { 1815}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 139  and name HN  ))
 ASSI { 1817}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
      3.800     1.800     2.200 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.15778E-02 ppm1      0.168 ppm2      8.865 CV     1
 OR { 1817}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
 OR { 1817}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 77   and name HN  ))
 OR { 1817}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 1824}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 97   and name HB2 ))
      3.600     1.600     1.600 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.45450E-02 ppm1      0.876 ppm2      2.571 CV     1
 OR { 1824}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 100  and name HG2 ))
 ASSI { 1825}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 95   and name HB1 ))
      3.800     1.800     2.200 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.20839E-02 ppm1      0.877 ppm2      2.391 CV     1
 OR { 1825}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 128  and name HG2 ))
 ASSI { 1826}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 95   and name HG2 ))
      3.300     1.500     2.200 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.27236E-02 ppm1      0.875 ppm2      2.247 CV     1
 OR { 1826}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 94   and name HB2 ))
 OR { 1826}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 128  and name HB1 ))
 OR { 1826}
   (( segid "    " and resid 98   and name HD1%))
   (( segid "    " and resid 106  and name HB1 ))
 ASSI { 1844}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 25   and name HB1 ))
      3.700     1.700     1.700 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.23549E-02 ppm1     -0.017 ppm2      1.631 CV     1
 OR { 1844}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 86   and name HB1 ))
 OR { 1844}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 26   and name HD2 ))
 ASSI { 1845}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 140  and name HB1 ))
      3.500     1.500     1.500 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.40083E-02 ppm1     -0.017 ppm2      1.456 CV     1
 OR { 1845}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 140  and name HB2 ))
 OR { 1845}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 26   and name HG2 ))
 ASSI { 1848}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 25   and name HD2%)
      3.300     1.400     1.400 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.33920E-02 ppm1     -0.020 ppm2      0.676 CV     1
 OR { 1848}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 11   and name HG1%)
 OR { 1848}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 140  and name HD2%)
 ASSI { 1855}
   (  segid "    " and resid 123  and name HD1%)
   (( segid "    " and resid 135  and name HB2 ))
      2.700     0.900     0.900 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.36313E-02 ppm1      0.685 ppm2      3.660 CV     1
 OR { 1855}
   (  segid "    " and resid 123  and name HD1%)
   (( segid "    " and resid 107  and name HB1 ))
 ASSI { 1856}
   (  segid "    " and resid 123  and name HD1%)
   (( segid "    " and resid 123  and name HA  ))
      2.300     0.700     0.700 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.17911E-01 ppm1      0.687 ppm2      4.232 CV     1
 OR { 1856}
   (  segid "    " and resid 123  and name HD1%)
   (( segid "    " and resid 124  and name HA  ))
 ASSI { 1858}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 141  and name HA  ))
      3.800     1.800     1.800 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.78839E-03 ppm1     -0.017 ppm2      4.548 CV     1
 OR { 1858}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
 ASSI { 1859}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
      3.000     1.100     1.100 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.85914E-02 ppm1     -0.017 ppm2      4.360 CV     1
 OR { 1859}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 1860}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
      4.000     2.000     2.000 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.19671E-02 ppm1     -0.015 ppm2      4.251 CV     1
 OR { 1860}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 140  and name HA  ))
 OR { 1860}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 138  and name HB  ))
 OR { 1860}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 24   and name HA  ))
 ASSI { 1864}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
      4.900     3.000     1.100 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.75005E-03 ppm1     -0.017 ppm2      5.040 CV     1
 OR { 1864}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 1865}
   (  segid "    " and resid 59   and name HG2%)
   (  segid "    " and resid 47   and name HB% )
      4.800     2.800     1.200 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.80380E-03 ppm1      1.155 ppm2      7.254 CV     1
 OR { 1865}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 69   and name HD21 ))
 OR { 1865}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 69   and name HD22 ))
 ASSI { 1866}
   (  segid "    " and resid 59   and name HG2%)
   (  segid "    " and resid 88   and name HD% )
      2.500     0.800     0.800 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.33034E-02 ppm1      1.157 ppm2      7.119 CV     1
 OR { 1866}
   (  segid "    " and resid 59   and name HG2%)
   (  segid "    " and resid 134  and name HE% )
 ASSI { 1867}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      2.900     1.000     1.000 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.14759E-02 ppm1      1.162 ppm2      6.903 CV     1
 OR { 1867}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 1868}
   (  segid "    " and resid 59   and name HG2%)
   (  segid "    " and resid 106  and name HD% )
      3.600     1.600     1.600 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.34972E-02 ppm1      1.158 ppm2      6.722 CV     1
 OR { 1868}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 108  and name HD% )
 ASSI { 1870}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      4.400     2.400     1.600 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.95754E-03 ppm1      1.153 ppm2      9.767 CV     1
 OR { 1870}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1871}
   (  segid "    " and resid 67   and name HG2%)
   (( segid "    " and resid 61   and name HN  ))
      4.400     2.400     1.600 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.70174E-03 ppm1      1.069 ppm2      9.769 CV     1
 OR { 1871}
   (  segid "    " and resid 67   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1872}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 60   and name HN  ))
      3.100     1.200     1.200 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.22923E-02 ppm1      0.953 ppm2      9.764 CV     1
 OR { 1872}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1873}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 43   and name HN  ))
      4.900     3.000     1.100 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.62825E-03 ppm1      0.930 ppm2      9.369 CV     1
 OR { 1873}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 105  and name HN  ))
 ASSI { 1874}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
      4.300     2.300     1.700 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.11937E-02 ppm1      1.277 ppm2      8.580 CV     1
 OR { 1874}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
 ASSI { 1878}
   (  segid "    " and resid 123  and name HD1%)
   (( segid "    " and resid 135  and name HN  ))
      3.100     1.200     1.200 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.19482E-02 ppm1      0.685 ppm2      9.090 CV     1
 OR { 1878}
   (  segid "    " and resid 123  and name HD1%)
   (( segid "    " and resid 134  and name HN  ))
 ASSI { 1880}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
      4.500     2.600     1.500 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.70771E-03 ppm1      1.155 ppm2      5.865 CV     1
 OR { 1880}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 104  and name HA  ))
 ASSI { 1884}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 79   and name HB1 ))
      3.200     1.300     1.300 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.32929E-02 ppm1      1.269 ppm2      3.064 CV     1
 OR { 1884}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 20   and name HB1 ))
 ASSI { 1895}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 59   and name HB  ))
      2.200     0.600     0.600 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.65062E-02 ppm1      1.159 ppm2      1.865 CV     1
 OR { 1895}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 43   and name HB2 ))
 OR { 1895}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 1897}
   (  segid "    " and resid 109  and name HG2%)
   (( segid "    " and resid 109  and name HN  ))
      2.500     0.800     0.800 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.91661E-02 ppm1      0.862 ppm2      8.315 CV     1
 OR { 1897}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 84   and name HN  ))
 OR { 1897}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 84   and name HN  ))
 ASSI { 1899}
   (  segid "    " and resid 140  and name HD1%)
   (( segid "    " and resid 140  and name HN  ))
      3.400     1.400     1.400 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.26357E-02 ppm1      0.858 ppm2      7.992 CV     1
 OR { 1899}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 1900}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      4.100     2.100     1.900 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.80258E-03 ppm1      0.857 ppm2      7.832 CV     1
 OR { 1900}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 1902}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 20   and name HN  ))
      3.800     1.800     1.800 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.14387E-02 ppm1      0.860 ppm2      9.297 CV     1
 OR { 1902}
   (  segid "    " and resid 109  and name HG2%)
   (( segid "    " and resid 139  and name HN  ))
 OR { 1902}
   (  segid "    " and resid 140  and name HD1%)
   (( segid "    " and resid 139  and name HN  ))
 ASSI { 1903}
   (  segid "    " and resid 109  and name HG2%)
   (( segid "    " and resid 110  and name HN  ))
      2.800     1.000     0.900 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.52411E-02 ppm1      0.866 ppm2      9.151 CV     1
 ASSI { 1910}
   (  segid "    " and resid 83   and name HG1%)
   (  segid "    " and resid 108  and name HD% )
      3.900     1.900     1.900 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.19583E-02 ppm1      0.857 ppm2      6.745 CV     1
 OR { 1910}
   (  segid "    " and resid 109  and name HG2%)
   (  segid "    " and resid 108  and name HD% )
 OR { 1910}
   (  segid "    " and resid 83   and name HG2%)
   (  segid "    " and resid 108  and name HD% )
 ASSI { 1912}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      2.400     0.700     0.700 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.72091E-02 ppm1      0.858 ppm2      5.498 CV     1
 OR { 1912}
   (  segid "    " and resid 109  and name HG2%)
   (( segid "    " and resid 137  and name HA  ))
 OR { 1912}
   (  segid "    " and resid 109  and name HG2%)
   (( segid "    " and resid 108  and name HA  ))
 ASSI { 1913}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 107  and name HA  ))
      3.400     1.400     1.400 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.25777E-02 ppm1      0.859 ppm2      5.161 CV     1
 OR { 1913}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 107  and name HA  ))
 OR { 1913}
   (  segid "    " and resid 109  and name HG2%)
   (( segid "    " and resid 138  and name HA  ))
 ASSI { 1915}
   (  segid "    " and resid 123  and name HD1%)
   (( segid "    " and resid 123  and name HA  ))
      2.800     2.800     3.200 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.14715E-01 ppm1      0.928 ppm2      4.244 CV     1
 OR { 1915}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 90   and name HA  ))
 ASSI { 1921}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 26   and name HD2 ))
      2.500     0.800     0.800 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.60513E-02 ppm1      1.257 ppm2      1.662 CV     1
 OR { 1921}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 26   and name HD1 ))
 OR { 1921}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 75   and name HB1 ))
 ASSI { 1922}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 80   and name HG1 ))
      4.700     2.700     1.300 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.19542E-02 ppm1      1.167 ppm2      2.097 CV     1
 OR { 1922}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 80   and name HG2 ))
 OR { 1922}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 106  and name HB2 ))
 OR { 1922}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 72   and name HE1 ))
 OR { 1922}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 26   and name HD1 ))
 OR { 1922}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 72   and name HE2 ))
 ASSI { 1924}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 26   and name HG2 ))
      2.900     2.900     3.100 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.57405E-02 ppm1      1.257 ppm2      1.479 CV     1
 OR { 1924}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 73   and name HB1 ))
 ASSI { 1927}
   (  segid "    " and resid 59   and name HG1%)
   (  segid "    " and resid 125  and name HE% )
      3.600     1.600     1.600 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.14736E-02 ppm1      0.951 ppm2      7.259 CV     1
 OR { 1927}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 1928}
   (  segid "    " and resid 59   and name HG1%)
   (  segid "    " and resid 134  and name HE% )
      3.300     1.400     1.400 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.28054E-02 ppm1      0.949 ppm2      7.102 CV     1
 OR { 1928}
   (  segid "    " and resid 59   and name HG1%)
   (  segid "    " and resid 88   and name HD% )
 ASSI { 1931}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 4    and name HD21))
      4.500     2.500     1.500 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.90436E-03 ppm1      0.932 ppm2      7.626 CV     1
 OR { 1931}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 4    and name HD21))
 OR { 1931}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 6    and name HE21))
 OR { 1931}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 6    and name HE21))
 OR { 1931}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 107  and name HN  ))
 OR { 1931}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 107  and name HN  ))
 ASSI { 1934}
   (  segid "    " and resid 129  and name HG2%)
   (( segid "    " and resid 130  and name HN  ))
      3.700     1.700     1.700 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.17806E-02 ppm1      1.105 ppm2      7.761 CV     1
 OR { 1934}
   (  segid "    " and resid  16  and name HG2%)
   (( segid "    " and resid  15  and name HN  ))
 OR { 1934}
   (  segid "    " and resid  16  and name HG2%)
   (( segid "    " and resid  19  and name HN  ))
 ASSI { 1945}
   (  segid "    " and resid 87   and name HG1%)
   (  segid "    " and resid 105  and name HE% )
      3.400     1.400     1.400 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.24496E-02 ppm1      0.487 ppm2      6.735 CV     1
 OR { 1945}
   (  segid "    " and resid 87   and name HG1%)
   (  segid "    " and resid 106  and name HD% )
 ASSI { 1953}
   (  segid "    " and resid 146  and name HG1%)
   (( segid "    " and resid 147  and name HD2 ))
      3.200     1.300     1.300 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.43780E-02 ppm1      0.938 ppm2      3.650 CV     1
 OR { 1953}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 147  and name HD2 ))
 OR { 1953}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 135  and name HB2 ))
 ASSI { 1960}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 82   and name HB2 ))
      3.800     1.800     1.000 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.32565E-02 ppm1      0.848 ppm2      2.491 CV     1
 OR { 1960}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 81   and name HB2 ))
 OR { 1960}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 136  and name HB2 ))
 OR { 1960}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 136  and name HB2 ))
 OR { 1960}
   (  segid "    " and resid 109  and name HG2%)
   (( segid "    " and resid 82   and name HB2 ))
 ASSI { 1961}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 108  and name HB2 ))
      3.800     1.800     1.300 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.25844E-02 ppm1      0.849 ppm2      2.374 CV     1
 OR { 1961}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 82   and name HB2 ))
 OR { 1961}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 14   and name HB1 ))
 OR { 1961}
   (  segid "    " and resid 109  and name HG2%)
   (( segid "    " and resid 82   and name HB2 ))
 OR { 1961}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 82   and name HB2 ))
 ASSI { 1964}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 89   and name HA  ))
      4.300     2.300     1.700 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.11271E-02 ppm1      0.769 ppm2      5.144 CV     1
 OR { 1964}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 104  and name HB1 ))
 OR { 1964}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 105  and name HA  ))
 ASSI { 1971}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 15   and name HN  ))
      2.200     0.600     0.600 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.11131E-01 ppm1      1.563 ppm2      7.725 CV     1
 OR { 1971}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 114  and name HN  ))
 ASSI { 1973}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 60   and name HN  ))
      4.300     2.300     1.700 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.72993E-03 ppm1      1.196 ppm2      9.765 CV     1
 OR { 1973}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1978}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 59   and name HN  ))
      3.100     1.200     1.200 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.21260E-02 ppm1      0.266 ppm2      6.906 CV     1
 OR { 1978}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 1981}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      4.000     2.000     2.000 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.90676E-03 ppm1      0.269 ppm2      8.689 CV     1
 OR { 1981}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 1985}
   (  segid "    " and resid 138  and name HG2%)
   (( segid "    " and resid 108  and name HA  ))
      3.600     1.600     1.600 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.20194E-02 ppm1      1.097 ppm2      5.509 CV     1
 OR { 1985}
   (  segid "    " and resid 138  and name HG2%)
   (( segid "    " and resid 137  and name HA  ))
 ASSI { 1995}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 57   and name HA  ))
      4.400     2.400     1.600 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.92548E-03 ppm1      0.262 ppm2      4.039 CV     1
 OR { 1995}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 71   and name HA2 ))
 ASSI { 1996}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 48   and name HA  ))
      3.700     1.700     1.700 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.13481E-02 ppm1      0.266 ppm2      3.786 CV     1
 OR { 1996}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 45   and name HA  ))
 OR { 1996}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 71   and name HA1 ))
 OR { 1996}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 74   and name HB2 ))
 OR { 1996}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 2000}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 53   and name HB1 ))
      2.800     1.000     0.900 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.35858E-02 ppm1      1.194 ppm2      3.101 CV     1
 OR { 2000}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 69   and name HB1 ))
 OR { 2000}
   (  segid "    " and resid 141  and name HB% )
   (( segid "    " and resid 142  and name HB2 ))
 ASSI { 2007}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 43   and name HB1 ))
      4.500     2.500     1.500 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.19070E-02 ppm1      0.872 ppm2      1.710 CV     1
 OR { 2007}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 61   and name HB  ))
 ASSI { 2009}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      3.600     1.600     1.600 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.87127E-03 ppm1      0.863 ppm2      5.483 CV     1
 OR { 2009}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 2011}
   (  segid "    " and resid 41   and name HG2%)
   (  segid "    " and resid 31   and name HD% )
      3.300     1.500     2.700 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.29718E-02 ppm1      0.868 ppm2      7.264 CV     1
 OR { 2011}
   (  segid "    " and resid 41   and name HG2%)
   (  segid "    " and resid 125  and name HE% )
 ASSI { 2019}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      4.200     2.200     1.800 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.87207E-03 ppm1      0.868 ppm2      9.762 CV     1
 OR { 2019}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 2022}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 61   and name HA  ))
      3.600     1.600     1.600 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.14589E-02 ppm1      0.866 ppm2      4.903 CV     1
 OR { 2022}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 2026}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 97   and name HA  ))
      3.300     1.500     1.500 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.60555E-02 ppm1      2.104 ppm2      4.452 CV     1
 OR { 2026}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 129  and name HA  ))
 ASSI { 2030}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HB2 ))
      2.100     0.500     0.500 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.88181E-02 ppm1      0.167 ppm2      1.271 CV     1
 OR { 2030}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 22   and name HB1 ))
 OR { 2030}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 85   and name HG1 ))
 ASSI { 2039}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.000     1.100     1.100 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.16512E-02 ppm1      1.408 ppm2      7.585 CV     1
 OR { 2039}
   (( segid "    " and resid 66   and name HG1 ))
   (( segid "    " and resid 66   and name HN  ))
 OR { 2039}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI { 2041}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 25   and name HB1 ))
      2.900     1.100     1.100 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.21449E-02 ppm1     -0.017 ppm2      1.630 CV     1
 OR { 2041}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 26   and name HD2 ))
 OR { 2041}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 86   and name HB1 ))
 ASSI { 2043}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 25   and name HB2 ))
      2.900     1.000     1.000 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.45922E-02 ppm1     -0.014 ppm2      1.261 CV     1
 OR { 2043}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 22   and name HB1 ))
 OR { 2043}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 2046}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 25   and name HD2%)
      2.400     0.700     0.700 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.94385E-02 ppm1     -0.012 ppm2      0.665 CV     1
 OR { 2046}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 45   and name HG2%)
 ASSI { 2048}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 22   and name HG  ))
      4.200     2.200     1.800 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.20686E-02 ppm1     -0.014 ppm2      0.928 CV     1
 OR { 2048}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 33   and name HG2%)
 ASSI { 2051}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
      3.100     1.200     1.200 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.22083E-02 ppm1     -0.012 ppm2      4.360 CV     1
 OR { 2051}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 2052}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 108  and name HD% )
      4.300     2.300     1.700 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.91094E-03 ppm1     -0.014 ppm2      6.727 CV     1
 OR { 2052}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 106  and name HD% )
 ASSI { 2054}
   (  segid "    " and resid 123  and name HD2%)
   (( segid "    " and resid 133  and name HB1 ))
      2.900     1.100     1.100 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.28867E-02 ppm1      0.683 ppm2      2.722 CV     1
 OR { 2054}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 2055}
   (  segid "    " and resid 123  and name HD2%)
   (( segid "    " and resid 135  and name HB1 ))
      3.200     1.300     1.300 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.31503E-02 ppm1      0.688 ppm2      3.772 CV     1
 OR { 2055}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 71   and name HA1 ))
 ASSI { 2056}
   (  segid "    " and resid 123  and name HD2%)
   (( segid "    " and resid 135  and name HB2 ))
      3.200     1.300     1.300 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.36481E-02 ppm1      0.686 ppm2      3.660 CV     1
 OR { 2056}
   (  segid "    " and resid 123  and name HD2%)
   (( segid "    " and resid 124  and name HB1 ))
 OR { 2056}
   (  segid "    " and resid 123  and name HD2%)
   (( segid "    " and resid 124  and name HB2 ))
 ASSI { 2059}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 20   and name HB1 ))
      2.800     1.000     1.000 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.26986E-02 ppm1      0.435 ppm2      2.994 CV     1
 OR { 2059}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 108  and name HB1 ))
 ASSI { 2060}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 141  and name HA  ))
      2.700     0.900     0.900 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.34934E-02 ppm1      0.436 ppm2      4.554 CV     1
 OR { 2060}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 70   and name HA  ))
 ASSI { 2061}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 19   and name HA  ))
      3.600     1.600     1.600 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.17104E-02 ppm1      0.737 ppm2      4.252 CV     1
 OR { 2061}
   (  segid "    " and resid 123  and name HD2%)
   (( segid "    " and resid 123  and name HA  ))
 ASSI { 2062}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 47   and name HN  ))
      3.100     1.200     1.200 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.25323E-02 ppm1      0.676 ppm2      7.292 CV     1
 OR { 2062}
   (  segid "    " and resid 43   and name HD1%)
   (  segid "    " and resid 31   and name HD% )
 ASSI { 2063}
   (  segid "    " and resid 86   and name HD2%)
   (  segid "    " and resid 108  and name HD% )
      3.900     1.900     1.900 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.15156E-02 ppm1      0.675 ppm2      6.731 CV     1
 OR { 2063}
   (  segid "    " and resid 43   and name HD1%)
   (  segid "    " and resid 106  and name HD% )
 OR { 2063}
   (  segid "    " and resid 86   and name HD2%)
   (  segid "    " and resid 106  and name HD% )
 OR { 2063}
   (  segid "    " and resid 123  and name HD2%)
   (  segid "    " and resid 106  and name HD% )
 ASSI { 2064}
   (  segid "    " and resid 86   and name HD2%)
   (  segid "    " and resid 108  and name HD% )
      3.600     1.600     1.600 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.24938E-02 ppm1      0.641 ppm2      6.708 CV     1
 OR { 2064}
   (  segid "    " and resid 43   and name HD1%)
   (  segid "    " and resid 106  and name HD% )
 OR { 2064}
   (  segid "    " and resid 86   and name HD2%)
   (  segid "    " and resid 106  and name HD% )
 ASSI { 2067}
   (  segid "    " and resid 123  and name HD2%)
   (  segid "    " and resid 133  and name HD% )
      4.500     2.500     1.500 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.78287E-03 ppm1      0.692 ppm2      6.927 CV     1
 OR { 2067}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 59   and name HN  ))
 OR { 2067}
   (  segid "    " and resid 123  and name HD2%)
   (  segid "    " and resid 105  and name HD% )
 ASSI { 2070}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HN  ))
      3.500     1.500     1.500 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.13220E-02 ppm1      0.675 ppm2      9.374 CV     1
 OR { 2070}
   (  segid "    " and resid 123  and name HD2%)
   (( segid "    " and resid 105  and name HN  ))
 ASSI { 2071}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 88   and name HN  ))
      4.400     2.400     1.600 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.81095E-03 ppm1      0.674 ppm2      9.211 CV     1
 OR { 2071}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
 OR { 2071}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 88   and name HN  ))
 ASSI { 2074}
   (  segid "    " and resid 123  and name HD2%)
   (( segid "    " and resid 135  and name HN  ))
      3.900     1.900     1.900 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.18703E-02 ppm1      0.686 ppm2      9.090 CV     1
 OR { 2074}
   (  segid "    " and resid 123  and name HD2%)
   (( segid "    " and resid 134  and name HN  ))
 OR { 2074}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 41   and name HN  ))
 OR { 2074}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 134  and name HN  ))
 OR { 2074}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 135  and name HN  ))
 ASSI { 2075}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 44   and name HN  ))
      4.400     2.400     1.600 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.96035E-03 ppm1      0.676 ppm2      8.123 CV     1
 OR { 2075}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 44   and name HN  ))
 ASSI { 2084}
   (  segid "    " and resid 84   and name HD2%)
   (  segid "    " and resid 141  and name HB% )
      3.000     1.100     1.100 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.49748E-02 ppm1      0.435 ppm2      1.168 CV     1
 OR { 2084}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 77   and name HB2 ))
 OR { 2084}
   (  segid "    " and resid 84   and name HD2%)
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 2085}
   (  segid "    " and resid 123  and name HD2%)
   (( segid "    " and resid 133  and name HB2 ))
      3.800     1.800     1.800 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.18420E-02 ppm1      0.681 ppm2      2.641 CV     1
 OR { 2085}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 60   and name HB2 ))
 OR { 2085}
   (  segid "    " and resid 123  and name HD2%)
   (( segid "    " and resid 105  and name HB2 ))
 ASSI { 2086}
   (  segid "    " and resid 43   and name HD1%)
   (  segid "    " and resid 120  and name HB1 )
      3.300     1.800     2.700 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.10733E-01 ppm1      0.685 ppm2      1.344 CV     1
 OR { 2086}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 33   and name HG12))
 ASSI { 2091}
   (( segid "    " and resid 120  and name HG1 ))
   (( segid "    " and resid 120  and name HD1 ))
      2.500     0.800     0.800 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.34321E-02 ppm1      1.576 ppm2      3.162 CV     1
 OR { 2091}
   (( segid "    " and resid 148  and name HG1 ))
   (( segid "    " and resid 148  and name HD2 ))
 OR { 2091}
   (( segid "    " and resid 148  and name HG2 ))
   (( segid "    " and resid 148  and name HD1 ))
 OR { 2091}
   (( segid "    " and resid 148  and name HG2 ))
   (( segid "    " and resid 148  and name HD2 ))
 OR { 2091}
   (( segid "    " and resid 120  and name HG1 ))
   (( segid "    " and resid 120  and name HD2 ))
 OR { 2091}
   (( segid "    " and resid 148  and name HG1 ))
   (( segid "    " and resid 148  and name HD1 ))
 ASSI { 2092}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.400     1.400 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.53967E-02 ppm1      2.150 ppm2      4.256 CV     1
 OR { 2092}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HA  ))
 OR { 2092}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 2094}
   (  segid "    " and resid 43   and name HD2%)
   (  segid "    " and resid 134  and name HE% )
      3.700     1.700     1.700 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.71414E-03 ppm1      0.623 ppm2      7.111 CV     1
 OR { 2094}
   (  segid "    " and resid 43   and name HD2%)
   (  segid "    " and resid 88   and name HD% )
 ASSI { 2096}
   (  segid "    " and resid 43   and name HD2%)
   (  segid "    " and resid 134  and name HD% )
      3.600     1.600     1.600 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.11660E-02 ppm1      0.615 ppm2      6.624 CV     1
 OR { 2096}
   (  segid "    " and resid 43   and name HD2%)
   (  segid "    " and resid 88   and name HE% )
 ASSI { 2115}
   (( segid "    " and resid 120  and name HG2 ))
   (  segid "    " and resid 32   and name HG2%)
      2.400     2.400     3.600 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.75549E-02 ppm1      1.468 ppm2      1.185 CV     1
 OR { 2115}
   (( segid "    " and resid 120  and name HG2 ))
   (( segid "    " and resid 123  and name HB2 ))
 OR { 2115}
   (( segid "    " and resid 120  and name HG2 ))
   (  segid "    " and resid 141  and name HB% )
 OR { 2115}
   (( segid "    " and resid 120  and name HG2 ))
   (( segid "    " and resid 109  and name HB  ))
 ASSI { 2122}
   (( segid "    " and resid 2    and name HD1 ))
   (( segid "    " and resid 2    and name HE2 ))
      2.100     0.600     0.600 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.11758E-01 ppm1      1.718 ppm2      3.029 CV     1
 OR { 2122}
   (( segid "    " and resid 2    and name HD2 ))
   (( segid "    " and resid 2    and name HE1 ))
 OR { 2122}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HE2 ))
 OR { 2122}
   (( segid "    " and resid 50   and name HD1 ))
   (( segid "    " and resid 50   and name HE1 ))
 OR { 2122}
   (( segid "    " and resid 99   and name HD1 ))
   (( segid "    " and resid 99   and name HE1 ))
 OR { 2122}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HE1 ))
 OR { 2122}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HE2 ))
 OR { 2122}
   (( segid "    " and resid 99   and name HD2 ))
   (( segid "    " and resid 99   and name HE1 ))
 OR { 2122}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HE1 ))
 OR { 2122}
   (( segid "    " and resid 99   and name HD1 ))
   (( segid "    " and resid 99   and name HE2 ))
 OR { 2122}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HE2 ))
 OR { 2122}
   (( segid "    " and resid 99   and name HD2 ))
   (( segid "    " and resid 99   and name HE2 ))
 OR { 2122}
   (( segid "    " and resid 50   and name HD1 ))
   (( segid "    " and resid 50   and name HE2 ))
 OR { 2122}
   (( segid "    " and resid 2    and name HD2 ))
   (( segid "    " and resid 2    and name HE2 ))
 OR { 2122}
   (( segid "    " and resid 2    and name HD1 ))
   (( segid "    " and resid 2    and name HE1 ))
 ASSI { 2123}
   (( segid "    " and resid 99   and name HD1 ))
   (( segid "    " and resid 99   and name HA  ))
      3.600     1.600     1.600 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.30436E-02 ppm1      1.723 ppm2      4.270 CV     1
 OR { 2123}
   (( segid "    " and resid 99   and name HD2 ))
   (( segid "    " and resid 99   and name HA  ))
 OR { 2123}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 26   and name HA  ))
 OR { 2123}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 2127}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HN  ))
      2.600     0.900     0.900 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.34545E-02 ppm1      2.119 ppm2      8.168 CV     1
 OR { 2127}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 2127}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 2128}
   (( segid "    " and resid 99   and name HD1 ))
   (( segid "    " and resid 99   and name HN  ))
      3.900     1.900     1.900 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.13549E-02 ppm1      1.716 ppm2      8.237 CV     1
 OR { 2128}
   (( segid "    " and resid 99   and name HD2 ))
   (( segid "    " and resid 99   and name HN  ))
 OR { 2128}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 27   and name HN  ))
 OR { 2128}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 27   and name HN  ))
 OR { 2128}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 2129}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.200     1.300     1.300 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.16152E-02 ppm1      3.537 ppm2      8.280 CV     1
 OR { 2129}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 2130}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.400     1.500     1.500 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.13454E-02 ppm1      2.887 ppm2      8.284 CV     1
 OR { 2130}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 2160}
   (( segid "    " and resid 137  and name HB1 ))
   (( segid "    " and resid 137  and name HB2 ))
      2.200     0.600     0.600 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.12763E-02 ppm1      3.352 ppm2      2.952 CV     1
 OR { 2160}
   (( segid "    " and resid 137  and name HB1 ))
   (( segid "    " and resid 111  and name HE1 ))
 OR { 2160}
   (( segid "    " and resid 137  and name HB1 ))
   (( segid "    " and resid 111  and name HE2 ))
 ASSI { 2177}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 145  and name HN  ))
      3.500     1.500     1.200 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.31525E-02 ppm1      1.928 ppm2      8.581 CV     1
 OR { 2177}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HN  ))
 OR { 2177}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 145  and name HN  ))
 ASSI { 2178}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HA  ))
      2.400     0.700     0.700 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.69680E-02 ppm1      1.930 ppm2      4.264 CV     1
 OR { 2178}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 145  and name HA  ))
 OR { 2178}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 144  and name HA  ))
 OR { 2178}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 2186}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.300     1.300     1.300 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.17937E-02 ppm1      1.880 ppm2      7.581 CV     1
 OR { 2186}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 44   and name HD21))
 OR { 2186}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 4    and name HD21))
 ASSI { 2198}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      2.400     0.700     0.700 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.65294E-02 ppm1      1.881 ppm2      4.275 CV     1
 OR { 2198}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 99   and name HA  ))
 OR { 2198}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HA  ))
 ASSI { 2199}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      2.100     0.500     0.500 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.11011E-01 ppm1      2.387 ppm2      4.266 CV     1
 OR { 2199}
   (( segid "    " and resid 95   and name HB1 ))
   (( segid "    " and resid 95   and name HA  ))
 ASSI { 2213}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HN  ))
      2.600     0.900     0.900 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.37295E-02 ppm1      1.876 ppm2      8.231 CV     1
 OR { 2213}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 99   and name HN  ))
 OR { 2213}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 2231}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HG2 ))
      2.300     0.600     0.600 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.85975E-02 ppm1      1.868 ppm2      1.483 CV     1
 OR { 2231}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 99   and name HG1 ))
 OR { 2231}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HG2 ))
 OR { 2231}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HG1 ))
 OR { 2231}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 99   and name HG2 ))
 ASSI { 2232}
   (( segid "    " and resid 45   and name HB  ))
   (  segid "    " and resid 45   and name HG2%)
      2.500     0.800     0.800 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.27798E-02 ppm1      1.557 ppm2      0.649 CV     1
 OR { 2232}
   (( segid "    " and resid 45   and name HB  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 2241}
   (( segid "    " and resid 119  and name HG1 ))
   (( segid "    " and resid 119  and name HE21))
      3.100     1.200     1.200 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.23515E-02 ppm1      2.430 ppm2      6.839 CV     1
 OR { 2241}
   (( segid "    " and resid 119  and name HG2 ))
   (( segid "    " and resid 119  and name HE21))
 OR { 2241}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HE22))
 ASSI { 2242}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 4    and name HD21))
      3.300     1.400     1.400 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.28857E-02 ppm1      2.432 ppm2      7.570 CV     1
 OR { 2242}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
 OR { 2242}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 44   and name HD21))
 ASSI { 2273}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 63   and name HB1 ))
      2.900     1.000     1.000 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.13440E-02 ppm1      1.843 ppm2      2.782 CV     1
 OR { 2273}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 4    and name HB2 ))
 OR { 2273}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 63   and name HB1 ))
 OR { 2273}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR { 2273}
   (( segid "    " and resid 87   and name HB  ))
   (( segid "    " and resid 85   and name HE2 ))
 ASSI { 2279}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.400     1.400     1.400 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.11900E-02 ppm1      1.371 ppm2      8.222 CV     1
 OR { 2279}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 2283}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 83   and name HN  ))
      2.600     0.900     0.900 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.37412E-02 ppm1      1.990 ppm2      7.519 CV     1
 OR { 2283}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
 OR { 2283}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 2290}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 83   and name HA  ))
      2.900     1.100     1.100 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.21841E-02 ppm1      1.989 ppm2      4.429 CV     1
 OR { 2290}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
 OR { 2290}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 2316}
   (( segid "    " and resid 127  and name HG1 ))
   (( segid "    " and resid 127  and name HA  ))
      3.300     1.400     1.400 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.39543E-02 ppm1      2.414 ppm2      3.616 CV     1
 OR { 2316}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 127  and name HA  ))
 OR { 2316}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 130  and name HA  ))
 ASSI { 2321}
   (( segid "    " and resid 109  and name HB  ))
   (( segid "    " and resid 137  and name HA  ))
      3.800     1.800     1.800 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.15042E-02 ppm1      1.189 ppm2      5.515 CV     1
 OR { 2321}
   (( segid "    " and resid 109  and name HB  ))
   (( segid "    " and resid 108  and name HA  ))
 ASSI { 2330}
   (( segid "    " and resid 121  and name HB  ))
   (( segid "    " and resid 121  and name HN  ))
      2.900     1.000     1.000 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.23054E-02 ppm1      1.987 ppm2      8.736 CV     1
 OR { 2330}
   (( segid "    " and resid 121  and name HB  ))
   (( segid "    " and resid 122  and name HN  ))
 ASSI { 2331}
   (( segid "    " and resid 121  and name HB  ))
   (  segid "    " and resid 121  and name HG2%)
      2.000     0.500     0.500 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.20087E-01 ppm1      1.985 ppm2      0.880 CV     1
 OR { 2331}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG1%)
 OR { 2331}
   (( segid "    " and resid 121  and name HB  ))
   (  segid "    " and resid 121  and name HG1%)
 OR { 2331}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 2335}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 19   and name HD1%)
      4.000     2.200     2.000 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.15295E-02 ppm1      1.792 ppm2      0.683 CV     1
 OR { 2335}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 11   and name HG1%)
 ASSI { 4582}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 19   and name HD1%)
      4.000     2.200     2.000 peak  4582 spectrum    1 weight  0.10000E+01 volume  0.15295E-02 ppm1      1.524 ppm2      0.683 CV     1
 OR { 2335}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 11   and name HG1%)
 ASSI { 2355}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HB1 ))
      1.800     0.200     0.900 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.24898E-01 ppm1      2.839 ppm2      3.137 CV     1
 ASSI { 2359}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 57   and name HB% )
      4.900     3.000     1.100 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.96492E-03 ppm1      2.832 ppm2      1.209 CV     1
 OR { 2359}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI { 2371}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      3.200     1.200     1.200 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.27645E-02 ppm1      2.885 ppm2      8.411 CV     1
 OR { 2371}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 2372}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      2.500     0.800     0.800 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.23767E-02 ppm1      2.798 ppm2      8.412 CV     1
 OR { 2372}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 2374}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      2.800     1.000     1.000 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.21741E-02 ppm1      2.839 ppm2      8.314 CV     1
 OR { 2374}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
 OR { 2374}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 2394}
   (( segid "    " and resid 41   and name HB  ))
   (  segid "    " and resid 41   and name HG2%)
      2.400     0.700     0.700 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.27940E-02 ppm1      1.861 ppm2      0.891 CV     1
 OR { 2394}
   (( segid "    " and resid 41   and name HB  ))
   (  segid "    " and resid 33   and name HD1%)
 ASSI { 2395}
   (( segid "    " and resid 41   and name HB  ))
   (  segid "    " and resid 41   and name HD1%)
      3.000     1.100     1.100 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.13686E-02 ppm1      1.865 ppm2      0.617 CV     1
 OR { 2395}
   (( segid "    " and resid 41   and name HB  ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 2399}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HN  ))
      3.000     1.100     1.100 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.25135E-02 ppm1      2.932 ppm2      8.387 CV     1
 OR { 2399}
   (( segid "    " and resid 108  and name HB1 ))
   (( segid "    " and resid 109  and name HN  ))
 ASSI { 2405}
   (( segid "    " and resid 122  and name HB1 ))
   (( segid "    " and resid 122  and name HN  ))
      3.400     1.400     1.400 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.76888E-03 ppm1      2.952 ppm2      8.795 CV     1
 OR { 2405}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
 OR { 2405}
   (( segid "    " and resid 108  and name HB1 ))
   (( segid "    " and resid 136  and name HN  ))
 OR { 2405}
   (( segid "    " and resid 122  and name HB1 ))
   (( segid "    " and resid 121  and name HN  ))
 ASSI { 2414}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HD22))
      3.800     1.800     1.800 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.22995E-02 ppm1      2.744 ppm2      6.947 CV     1
 OR { 2414}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HD22))
 OR { 2414}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 111  and name HN  ))
 ASSI { 2416}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      2.800     1.000     1.000 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.31278E-02 ppm1      2.749 ppm2      4.801 CV     1
 OR { 2416}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 2418}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      2.900     1.100     1.100 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.28692E-02 ppm1      2.932 ppm2      4.805 CV     1
 OR { 2418}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI { 2435}
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 89   and name HB1 ))
      4.500     2.500     1.500 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.82445E-03 ppm1      3.102 ppm2      2.133 CV     1
 OR { 2435}
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 72   and name HE1 ))
 OR { 2435}
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 89   and name HB2 ))
 OR { 2435}
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 72   and name HE2 ))
 ASSI { 2456}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 77   and name HD1%)
      3.300     1.400     1.400 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.14398E-02 ppm1      1.246 ppm2      0.526 CV     1
 OR { 2456}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 2456}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 2456}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 2456}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 2456}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 2456}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 45   and name HG1%)
 OR { 2456}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 45   and name HG1%)
 OR { 2456}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 2456}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 2461}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      2.700     0.900     0.900 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.48413E-02 ppm1      2.632 ppm2      4.564 CV     1
 OR { 2461}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
 OR { 2461}
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 111  and name HA  ))
 ASSI { 2476}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 116  and name HN  ))
      3.000     1.100     1.100 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.31511E-02 ppm1      2.726 ppm2      8.567 CV     1
 OR { 2476}
   (( segid "    " and resid 133  and name HB1 ))
   (( segid "    " and resid 123  and name HN  ))
 ASSI { 2487}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 11   and name HG1%)
      3.000     1.200     1.200 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.16160E-02 ppm1      2.634 ppm2      0.692 CV     1
 OR { 2487}
   (( segid "    " and resid 133  and name HB2 ))
   (  segid "    " and resid 123  and name HD2%)
 OR { 2487}
   (( segid "    " and resid 133  and name HB2 ))
   (  segid "    " and resid 123  and name HD1%)
 OR { 2487}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 19   and name HD1%)
 ASSI { 2506}
   (( segid "    " and resid 26   and name HE2 ))
   (( segid "    " and resid 26   and name HB1 ))
      2.900     1.100     1.100 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.71635E-02 ppm1      2.971 ppm2      1.315 CV     1
 OR { 2506}
   (( segid "    " and resid 26   and name HE1 ))
   (( segid "    " and resid 26   and name HB1 ))
 OR { 2506}
   (( segid "    " and resid 26   and name HE2 ))
   (  segid "    " and resid 47   and name HB% )
 OR { 2506}
   (( segid "    " and resid 26   and name HE1 ))
   (  segid "    " and resid 47   and name HB% )
 OR { 2506}
   (( segid "    " and resid 26   and name HE1 ))
   (  segid "    " and resid 23   and name HG2%)
 OR { 2506}
   (( segid "    " and resid 26   and name HE2 ))
   (  segid "    " and resid 23   and name HG2%)
 ASSI { 2510}
   (( segid "    " and resid 26   and name HE2 ))
   (( segid "    " and resid 26   and name HN  ))
      4.000     2.000     2.000 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.13162E-02 ppm1      2.966 ppm2      7.578 CV     1
 OR { 2510}
   (( segid "    " and resid 26   and name HE1 ))
   (( segid "    " and resid 26   and name HN  ))
 OR { 2510}
   (( segid "    " and resid 26   and name HE1 ))
   (( segid "    " and resid 44   and name HD21))
 ASSI { 2513}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 25   and name HD2%)
      3.400     1.400     1.400 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.14423E-02 ppm1      1.625 ppm2      0.662 CV     1
 OR { 2513}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 45   and name HG2%)
 ASSI { 2517}
   (( segid "    " and resid 75   and name HE1 ))
   (( segid "    " and resid 75   and name HB2 ))
      3.300     1.300     1.300 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.15119E-02 ppm1      2.906 ppm2      2.100 CV     1
 OR { 2517}
   (( segid "    " and resid 75   and name HE2 ))
   (( segid "    " and resid 75   and name HB2 ))
 OR { 2517}
   (( segid "    " and resid 75   and name HE2 ))
   (( segid "    " and resid 48   and name HG1 ))
 ASSI { 2521}
   (( segid "    " and resid 140  and name HB1 ))
   (( segid "    " and resid 140  and name HA  ))
      2.900     1.000     1.000 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.25862E-02 ppm1      1.487 ppm2      4.248 CV     1
 OR { 2521}
   (( segid "    " and resid 140  and name HB2 ))
   (( segid "    " and resid 140  and name HA  ))
 OR { 2521}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HA  ))
 OR { 2521}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
 OR { 2521}
   (( segid "    " and resid 140  and name HB2 ))
   (( segid "    " and resid 138  and name HB  ))
 ASSI { 2526}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 126  and name HN  ))
      3.200     1.300     1.300 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.17412E-02 ppm1      2.698 ppm2      8.866 CV     1
 OR { 2526}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 126  and name HN  ))
 OR { 2526}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 126  and name HN  ))
 OR { 2526}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 126  and name HN  ))
 OR { 2526}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 127  and name HN  ))
 OR { 2526}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 127  and name HN  ))
 OR { 2526}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 127  and name HN  ))
 OR { 2526}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 127  and name HN  ))
 ASSI { 2536}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name HD22))
      3.900     1.900     1.900 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.11991E-02 ppm1      3.044 ppm2      7.099 CV     1
 OR { 2536}
   (( segid "    " and resid 125  and name HB2 ))
   (  segid "    " and resid 134  and name HE% )
 OR { 2536}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 134  and name HE% )
 ASSI { 2543}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HB1 ))
      2.200     0.600     0.600 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.21374E-02 ppm1      3.757 ppm2      2.679 CV     1
 ASSI { 2547}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      3.300     1.300     1.300 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.11301E-02 ppm1      2.175 ppm2      5.036 CV     1
 OR { 2547}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 105  and name HA  ))
 ASSI { 2549}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.19008E-02 ppm1      1.163 ppm2      7.767 CV     1
 OR { 2549}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 2550}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.600     1.600     1.600 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.11909E-02 ppm1      2.175 ppm2      8.576 CV     1
 OR { 2550}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 2556}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HB2 ))
      2.100     0.600     0.600 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.20727E-02 ppm1      3.092 ppm2      3.992 CV     1
 OR { 2556}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 2565}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      2.900     1.100     1.100 peak  2565 spectrum    1 weight  0.10000E+01 volume  0.10699E-02 ppm1      3.027 ppm2      4.899 CV     1
 OR { 2565}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 61   and name HA  ))
 OR { 2565}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 2570}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.400     1.400     1.400 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.10280E-02 ppm1      2.200 ppm2      8.167 CV     1
 OR { 2570}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
 OR { 2570}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
 OR { 2570}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 2580}
   (( segid "    " and resid 10   and name HD1 ))
   (  segid "    " and resid 19   and name HD2%)
      4.000     2.000     2.000 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.19155E-02 ppm1      3.067 ppm2      0.721 CV     1
 ASSI { 2581}
   (( segid "    " and resid 10   and name HD2 ))
   (  segid "    " and resid 19   and name HD1%)
      3.800     1.800     1.100 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.22089E-02 ppm1      2.954 ppm2      0.703 CV     1
 OR { 2581}
   (( segid "    " and resid 10   and name HD2 ))
   (  segid "    " and resid 19   and name HD2%)
 ASSI { 2582}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 64   and name HA1 ))
      1.800     0.400     0.400 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.57523E-02 ppm1      3.565 ppm2      4.256 CV     1
 OR { 2582}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 2589}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 30   and name HA1 ))
      2.200     0.400     0.500 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.22603E-02 ppm1      3.574 ppm2      4.563 CV     1
 ASSI { 2590}
   (( segid "    " and resid 115  and name HA1 ))
   (( segid "    " and resid 116  and name HN  ))
      2.300     0.600     0.600 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.92582E-02 ppm1      4.204 ppm2      8.574 CV     1
 OR { 2590}
   (( segid "    " and resid 115  and name HA1 ))
   (( segid "    " and resid 115  and name HN  ))
 ASSI { 2591}
   (( segid "    " and resid 115  and name HA2 ))
   (( segid "    " and resid 115  and name HN  ))
      2.200     0.600     0.600 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.96922E-02 ppm1      4.027 ppm2      8.574 CV     1
 OR { 2591}
   (( segid "    " and resid 115  and name HA2 ))
   (( segid "    " and resid 116  and name HN  ))
 ASSI { 2592}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 44   and name HD21))
      4.700     2.800     1.300 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.84621E-03 ppm1      3.569 ppm2      7.592 CV     1
 OR { 2592}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI { 2624}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 27   and name HB1 ))
      4.900     3.000     1.100 peak  2624 spectrum    1 weight  0.10000E+01 volume  0.97032E-03 ppm1      3.567 ppm2      1.886 CV     1
 OR { 2624}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 65   and name HG2 ))
 OR { 2624}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 26   and name HB2 ))
 OR { 2624}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 66   and name HB1 ))
 OR { 2624}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI { 2677}
   (( segid "    " and resid 86   and name HB1 ))
   (  segid "    " and resid 86   and name HD2%)
      2.800     1.000     1.000 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.24134E-02 ppm1      1.621 ppm2      0.656 CV     1
 OR { 2677}
   (( segid "    " and resid 86   and name HB1 ))
   (  segid "    " and resid 45   and name HG2%)
 ASSI { 2678}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 86   and name HD2%)
      3.200     1.300     1.300 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.27266E-02 ppm1      1.294 ppm2      0.652 CV     1
 OR { 2678}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 45   and name HG2%)
 ASSI { 2679}
   (( segid "    " and resid 86   and name HB1 ))
   (  segid "    " and resid 86   and name HD1%)
      3.400     1.500     1.500 peak  2679 spectrum    1 weight  0.10000E+01 volume  0.10079E-02 ppm1      1.632 ppm2      0.519 CV     1
 OR { 2679}
   (( segid "    " and resid 86   and name HB1 ))
   (  segid "    " and resid 45   and name HG1%)
 ASSI { 2682}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 86   and name HD1%)
      3.000     1.100     1.100 peak  2682 spectrum    1 weight  0.10000E+01 volume  0.16294E-02 ppm1      1.293 ppm2      0.520 CV     1
 OR { 2682}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 45   and name HG1%)
 ASSI { 2703}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HA  ))
      3.800     1.800     1.800 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.21517E-02 ppm1      4.408 ppm2      4.230 CV     1
 OR { 2703}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 17   and name HA1 ))
 ASSI { 2726}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.900     1.900     1.900 peak  2726 spectrum    1 weight  0.10000E+01 volume  0.93145E-03 ppm1      4.265 ppm2      8.195 CV     1
 ASSI { 2738}
   (( segid "    " and resid 147  and name HD2 ))
   (( segid "    " and resid 147  and name HG1 ))
      2.300     0.700     0.700 peak  2738 spectrum    1 weight  0.10000E+01 volume  0.60384E-02 ppm1      3.646 ppm2      2.018 CV     1
 OR { 2738}
   (( segid "    " and resid 147  and name HD2 ))
   (( segid "    " and resid 147  and name HG2 ))
 OR { 2738}
   (( segid "    " and resid 147  and name HD2 ))
   (( segid "    " and resid 146  and name HB  ))
 ASSI { 2740}
   (( segid "    " and resid 95   and name HD2 ))
   (( segid "    " and resid 95   and name HG2 ))
      2.800     1.000     0.900 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.21965E-02 ppm1      4.075 ppm2      2.248 CV     1
 OR { 2740}
   (( segid "    " and resid 95   and name HD2 ))
   (( segid "    " and resid 94   and name HB2 ))
 ASSI { 2743}
   (( segid "    " and resid 147  and name HD2 ))
   (( segid "    " and resid 146  and name HA  ))
      2.100     0.500     0.500 peak  2743 spectrum    1 weight  0.10000E+01 volume  0.79322E-02 ppm1      3.647 ppm2      4.387 CV     1
 OR { 2743}
   (( segid "    " and resid 147  and name HD2 ))
   (( segid "    " and resid 147  and name HA  ))
 ASSI { 2772}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      4.400     2.400     1.600 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.13276E-02 ppm1      4.271 ppm2      1.989 CV     1
 OR { 2772}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
 OR { 2772}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 2789}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.300     1.400     1.400 peak  2789 spectrum    1 weight  0.10000E+01 volume  0.99698E-03 ppm1      5.867 ppm2      1.846 CV     1
 OR { 2789}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 59   and name HB  ))
 ASSI { 2790}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 59   and name HG2%)
      4.600     2.700     1.400 peak  2790 spectrum    1 weight  0.10000E+01 volume  0.62126E-03 ppm1      5.865 ppm2      1.154 CV     1
 OR { 2790}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI { 2803}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HN  ))
      2.400     0.700     0.700 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.56584E-02 ppm1      4.676 ppm2      8.459 CV     1
 OR { 2803}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
 ASSI { 2816}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 19   and name HD1%)
      3.700     1.700     1.700 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.16729E-02 ppm1      5.354 ppm2      0.692 CV     1
 OR { 2816}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 11   and name HG1%)
 OR { 2816}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 19   and name HD2%)
 ASSI { 2818}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG2 ))
      3.300     1.400     1.400 peak  2818 spectrum    1 weight  0.10000E+01 volume  0.12000E-02 ppm1      5.365 ppm2      1.446 CV     1
 ASSI { 2836}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HG1 ))
      2.800     1.000     1.000 peak  2836 spectrum    1 weight  0.10000E+01 volume  0.18442E-02 ppm1      5.628 ppm2      1.267 CV     1
 OR { 2836}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR { 2836}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
 ASSI { 2852}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      3.300     1.500     1.300 peak  2852 spectrum    1 weight  0.10000E+01 volume  0.20832E-02 ppm1      4.340 ppm2      6.821 CV     1
 OR { 2852}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 79   and name HD% )
 ASSI { 2870}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 109  and name HB  ))
      3.700     1.700     1.700 peak  2870 spectrum    1 weight  0.10000E+01 volume  0.16834E-02 ppm1      5.521 ppm2      1.186 CV     1
 OR { 2870}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 141  and name HB% )
 ASSI { 2882}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.800     1.000     1.000 peak  2882 spectrum    1 weight  0.10000E+01 volume  0.49551E-02 ppm1      4.484 ppm2      1.676 CV     1
 OR { 2882}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HD1 ))
 OR { 2882}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HD1 ))
 OR { 2882}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HD2 ))
 OR { 2882}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HD2 ))
 ASSI { 2891}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.600     0.800     0.800 peak  2891 spectrum    1 weight  0.10000E+01 volume  0.20257E-02 ppm1      4.572 ppm2      6.961 CV     1
 OR { 2891}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HN  ))
 ASSI { 2895}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.800     1.000     1.000 peak  2895 spectrum    1 weight  0.10000E+01 volume  0.16212E-02 ppm1      3.781 ppm2      8.462 CV     1
 ASSI { 2916}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.800     1.000     0.700 peak  2916 spectrum    1 weight  0.10000E+01 volume  0.78942E-02 ppm1      4.365 ppm2      1.705 CV     1
 OR { 2916}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB2 ))
 OR { 2916}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
 OR { 2916}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HD1 ))
 OR { 2916}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HD2 ))
 ASSI { 2926}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.700     0.900     0.900 peak  2926 spectrum    1 weight  0.10000E+01 volume  0.98706E-03 ppm1      3.290 ppm2      1.175 CV     1
 OR { 2926}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 59   and name HG2%)
 ASSI { 2927}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HD1%)
      3.500     1.500     1.500 peak  2927 spectrum    1 weight  0.10000E+01 volume  0.16862E-02 ppm1      3.289 ppm2      0.639 CV     1
 OR { 2927}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 45   and name HG2%)
 OR { 2927}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 86   and name HD2%)
 ASSI { 2931}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG1 ))
      3.200     1.200     1.200 peak  2931 spectrum    1 weight  0.10000E+01 volume  0.16849E-02 ppm1      4.379 ppm2      1.278 CV     1
 OR { 2931}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG2 ))
 OR { 2931}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
 ASSI { 2947}
   (( segid "    " and resid 122  and name HA  ))
   (  segid "    " and resid 134  and name HD% )
      2.400     0.700     0.700 peak  2947 spectrum    1 weight  0.10000E+01 volume  0.23978E-02 ppm1      4.023 ppm2      6.638 CV     1
 OR { 2947}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 129  and name HN  ))
 OR { 2947}
   (( segid "    " and resid 122  and name HA  ))
   (  segid "    " and resid 122  and name HD% )
 ASSI { 2954}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 128  and name HB1 ))
      3.000     1.100     1.100 peak  2954 spectrum    1 weight  0.10000E+01 volume  0.36334E-02 ppm1      4.014 ppm2      2.251 CV     1
 OR { 2954}
   (( segid "    " and resid 122  and name HA  ))
   (( segid "    " and resid 134  and name HB1 ))
 ASSI { 2956}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HG1 ))
      3.300     1.400     1.400 peak  2956 spectrum    1 weight  0.10000E+01 volume  0.42871E-02 ppm1      3.619 ppm2      2.405 CV     1
 OR { 2956}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HG2 ))
 OR { 2956}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 130  and name HB2 ))
 ASSI { 2957}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
      3.000     1.100     1.100 peak  2957 spectrum    1 weight  0.10000E+01 volume  0.48451E-02 ppm1      3.580 ppm2      2.377 CV     1
 OR { 2957}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG1 ))
 OR { 2957}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HG1 ))
 OR { 2957}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HG2 ))
 ASSI { 2962}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.900     1.000     1.000 peak  2962 spectrum    1 weight  0.10000E+01 volume  0.18088E-02 ppm1      4.309 ppm2      7.578 CV     1
 OR { 2962}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 44   and name HD21))
 ASSI { 2969}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak  2969 spectrum    1 weight  0.10000E+01 volume  0.12371E-02 ppm1      3.998 ppm2      8.589 CV     1
 OR { 2969}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
 OR { 2969}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI { 2982}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HB2 ))
      2.600     0.900     0.900 peak  2982 spectrum    1 weight  0.10000E+01 volume  0.21977E-02 ppm1      4.540 ppm2      4.220 CV     1
 OR { 2982}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 140  and name HA  ))
 ASSI { 2991}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      2.900     1.000     1.000 peak  2991 spectrum    1 weight  0.10000E+01 volume  0.46104E-02 ppm1      4.508 ppm2      1.229 CV     1
 OR { 2991}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 2992}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 59   and name HG2%)
      2.800     1.000     1.000 peak  2992 spectrum    1 weight  0.10000E+01 volume  0.15212E-02 ppm1      4.590 ppm2      1.155 CV     1
 OR { 2992}
   (( segid "    " and resid 139  and name HA  ))
   (  segid "    " and resid 141  and name HB% )
 ASSI { 2994}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 43   and name HD1%)
      3.300     1.500     1.200 peak  2994 spectrum    1 weight  0.10000E+01 volume  0.33765E-02 ppm1      4.561 ppm2      0.690 CV     1
 OR { 2994}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 11   and name HG1%)
 OR { 2994}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI { 2995}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HG2%)
      2.700     0.900     0.900 peak  2995 spectrum    1 weight  0.10000E+01 volume  0.27388E-02 ppm1      3.731 ppm2      0.651 CV     1
 OR { 2995}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 86   and name HD2%)
 OR { 2995}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 2996}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HG1%)
      2.900     1.100     1.100 peak  2996 spectrum    1 weight  0.10000E+01 volume  0.19284E-02 ppm1      3.731 ppm2      0.540 CV     1
 OR { 2996}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI { 3000}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 120  and name HB2 ))
      3.300     1.400     1.400 peak  3000 spectrum    1 weight  0.10000E+01 volume  0.13220E-02 ppm1      4.231 ppm2      1.429 CV     1
 OR { 3000}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 120  and name HG2 ))
 OR { 3000}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 111  and name HG2 ))
 ASSI { 3010}
   (( segid "    " and resid 135  and name HB1 ))
   (( segid "    " and resid 135  and name HA  ))
      2.800     1.000     1.000 peak  3010 spectrum    1 weight  0.10000E+01 volume  0.24987E-02 ppm1      3.769 ppm2      5.382 CV     1
 OR { 3010}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 88   and name HA  ))
 ASSI { 3016}
   (( segid "    " and resid 135  and name HB1 ))
   (( segid "    " and resid 136  and name HN  ))
      3.900     1.900     1.900 peak  3016 spectrum    1 weight  0.10000E+01 volume  0.15701E-02 ppm1      3.767 ppm2      8.824 CV     1
 OR { 3016}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 3026}
   (( segid "    " and resid 135  and name HB1 ))
   (  segid "    " and resid 121  and name HG2%)
      3.200     1.300     1.300 peak  3026 spectrum    1 weight  0.10000E+01 volume  0.18968E-02 ppm1      3.769 ppm2      0.887 CV     1
 OR { 3026}
   (( segid "    " and resid 135  and name HB1 ))
   (  segid "    " and resid 109  and name HG2%)
 OR { 3026}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 86   and name HG  ))
 OR { 3026}
   (( segid "    " and resid 135  and name HB1 ))
   (  segid "    " and resid 121  and name HG1%)
 OR { 3026}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 86   and name HG  ))
 ASSI { 3027}
   (( segid "    " and resid 135  and name HB2 ))
   (  segid "    " and resid 121  and name HG2%)
      3.300     1.400     1.400 peak  3027 spectrum    1 weight  0.10000E+01 volume  0.19365E-02 ppm1      3.658 ppm2      0.889 CV     1
 OR { 3027}
   (( segid "    " and resid 135  and name HB2 ))
   (  segid "    " and resid 109  and name HG2%)
 ASSI { 3028}
   (( segid "    " and resid 135  and name HB1 ))
   (  segid "    " and resid 109  and name HG1%)
      4.500     2.500     1.500 peak  3028 spectrum    1 weight  0.10000E+01 volume  0.93654E-03 ppm1      3.774 ppm2      0.580 CV     1
 OR { 3028}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 45   and name HG1%)
 OR { 3028}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 45   and name HG1%)
 ASSI { 3039}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
      4.000     2.000     2.000 peak  3039 spectrum    1 weight  0.10000E+01 volume  0.11419E-02 ppm1      3.662 ppm2      1.322 CV     1
 OR { 3039}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
 OR { 3039}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
 OR { 3039}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR { 3039}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 3040}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
      3.500     1.3500     1.300 peak  3040 spectrum    1 weight  0.10000E+01 volume  0.13037E-02 ppm1      3.665 ppm2      0.513 CV     1
 OR { 3040}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 3040}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 45   and name HG1%)
 ASSI { 3045}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.400     0.600     0.500 peak  3045 spectrum    1 weight  0.10000E+01 volume  0.61186E-02 ppm1      5.492 ppm2      8.220 CV     1
 OR { 3045}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 3075}
   (( segid "    " and resid 122  and name HA  ))
   (  segid "    " and resid 121  and name HG2%)
      3.900     1.900     1.900 peak  3075 spectrum    1 weight  0.10000E+01 volume  0.90014E-03 ppm1      4.027 ppm2      0.895 CV     1
 OR { 3075}
   (( segid "    " and resid 122  and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
 OR { 3075}
   (( segid "    " and resid 122  and name HA  ))
   (  segid "    " and resid 121  and name HG1%)
 ASSI { 3090}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 128  and name HB2 ))
      2.300     0.700     0.700 peak  3090 spectrum    1 weight  0.10000E+01 volume  0.53586E-02 ppm1      4.014 ppm2      2.108 CV     1
 ASSI { 3092}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.700     0.900     0.900 peak  3092 spectrum    1 weight  0.10000E+01 volume  0.11869E-02 ppm1      4.301 ppm2      1.372 CV     1
 OR { 3092}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 3093}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 50   and name HG1 ))
      4.000     2.000     2.000 peak  3093 spectrum    1 weight  0.10000E+01 volume  0.15333E-02 ppm1      4.426 ppm2      1.453 CV     1
 OR { 3093}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 50   and name HG2 ))
 OR { 3093}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI { 3110}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      4.000     2.000     2.000 peak  3110 spectrum    1 weight  0.10000E+01 volume  0.80874E-03 ppm1      4.296 ppm2      1.606 CV     1
 OR { 3110}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI { 3118}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.600     1.700     1.700 peak  3118 spectrum    1 weight  0.10000E+01 volume  0.97838E-03 ppm1      4.232 ppm2      7.576 CV     1
 OR { 3118}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 4    and name HD21))
 ASSI { 3119}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HN  ))
      3.000     1.200     1.500 peak  3119 spectrum    1 weight  0.10000E+01 volume  0.25341E-02 ppm1      4.290 ppm2      8.297 CV     1
 OR { 3119}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
 OR { 3119}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
 OR { 3119}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 3123}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.200     0.600     0.600 peak  3123 spectrum    1 weight  0.10000E+01 volume  0.99641E-02 ppm1      4.228 ppm2      3.995 CV     1
 OR { 3123}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HB1 ))
 OR { 3123}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI { 3129}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak  3129 spectrum    1 weight  0.10000E+01 volume  0.20506E-02 ppm1      4.227 ppm2      8.590 CV     1
 OR { 3129}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI { 3146}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      4.000     2.200     1.500 peak  3146 spectrum    1 weight  0.10000E+01 volume  0.14351E-02 ppm1      4.384 ppm2      1.074 CV     1
 OR { 3146}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 67   and name HG2%)
 ASSI { 3148}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB  ))
      3.500     1.500     1.500 peak  3148 spectrum    1 weight  0.10000E+01 volume  0.72209E-03 ppm1      3.729 ppm2      1.558 CV     1
 OR { 3148}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 103  and name HB1 ))
 OR { 3148}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 103  and name HB2 ))
 ASSI { 3150}
   (( segid "    " and resid 112  and name HB2 ))
   (( segid "    " and resid 112  and name HN  ))
      3.100     1.200     1.200 peak  3150 spectrum    1 weight  0.10000E+01 volume  0.18866E-02 ppm1      3.891 ppm2      9.185 CV     1
 OR { 3150}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
 OR { 3150}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 3153}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.500     1.500     1.500 peak  3153 spectrum    1 weight  0.10000E+01 volume  0.17304E-02 ppm1      3.980 ppm2      8.288 CV     1
 OR { 3153}
   (( segid "    " and resid 112  and name HB1 ))
   (( segid "    " and resid 113  and name HN  ))
 OR { 3153}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
 OR { 3153}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
 OR { 3153}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 3155}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     1.000     1.000 peak  3155 spectrum    1 weight  0.10000E+01 volume  0.28132E-02 ppm1      3.947 ppm2      8.185 CV     1
 OR { 3155}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
 OR { 3155}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 3166}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG2 ))
      4.100     2.100     1.900 peak  3166 spectrum    1 weight  0.10000E+01 volume  0.21757E-02 ppm1      4.556 ppm2      1.889 CV     1
 ASSI { 3172}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 125  and name HN  ))
      3.300     1.400     1.400 peak  3172 spectrum    1 weight  0.10000E+01 volume  0.38897E-02 ppm1      3.678 ppm2      8.530 CV     1
 OR { 3172}
   (( segid "    " and resid 124  and name HB1 ))
   (( segid "    " and resid 125  and name HN  ))
 OR { 3172}
   (( segid "    " and resid 124  and name HB1 ))
   (( segid "    " and resid 123  and name HN  ))
 ASSI { 3191}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      2.400     0.700     0.700 peak  3191 spectrum    1 weight  0.10000E+01 volume  0.86397E-02 ppm1      3.938 ppm2      4.436 CV     1
 OR { 3191}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 3194}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 109  and name HG2%)
      3.400     1.400     1.500 peak  3194 spectrum    1 weight  0.10000E+01 volume  0.28200E-02 ppm1      3.601 ppm2      0.863 CV     1
 OR { 3194}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 83   and name HG1%)
 OR { 3194}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 83   and name HG2%)
 OR { 3194}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 121  and name HG2%)
 ASSI { 3204}
   (( segid "    " and resid 107  and name HB1 ))
   (  segid "    " and resid 83   and name HG1%)
      3.000     1.100     1.100 peak  3204 spectrum    1 weight  0.10000E+01 volume  0.26026E-02 ppm1      3.713 ppm2      0.864 CV     1
 OR { 3204}
   (( segid "    " and resid 107  and name HB1 ))
   (  segid "    " and resid 109  and name HG2%)
 OR { 3204}
   (( segid "    " and resid 107  and name HB1 ))
   (  segid "    " and resid 83   and name HG2%)
 OR { 3204}
   (( segid "    " and resid 107  and name HB1 ))
   (  segid "    " and resid 121  and name HG2%)
 ASSI { 3216}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 76   and name HG2%)
      2.400     0.700     0.700 peak  3216 spectrum    1 weight  0.10000E+01 volume  0.68645E-02 ppm1      4.038 ppm2      1.217 CV     1
 OR { 3216}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 62   and name HG2%)
 ASSI { 3219}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 17   and name HA1 ))
      4.300     2.300     1.700 peak  3219 spectrum    1 weight  0.10000E+01 volume  0.11266E-02 ppm1      3.706 ppm2      4.270 CV     1
 OR { 3219}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 14   and name HA  ))
 OR { 3219}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI { 3251}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 44   and name HA  ))
      3.900     1.900     1.900 peak  3251 spectrum    1 weight  0.10000E+01 volume  0.12277E-02 ppm1      0.679 ppm2      5.210 CV     1
 OR { 3251}
   (  segid "    " and resid 123  and name HD2%)
   (( segid "    " and resid 134  and name HA  ))
 ASSI { 3252}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     1.000     1.000 peak  3252 spectrum    1 weight  0.10000E+01 volume  0.15397E-02 ppm1      0.873 ppm2      4.361 CV     1
 OR { 3252}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 3253}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     1.000     0.700 peak  3253 spectrum    1 weight  0.10000E+01 volume  0.14043E-02 ppm1      1.624 ppm2      7.344 CV     1
 OR { 3253}
   (( segid "    " and resid 10   and name HG1 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 3256}
   (( segid "    " and resid 148  and name HG1 ))
   (( segid "    " and resid 148  and name HA  ))
      3.300     1.400     1.400 peak  3256 spectrum    1 weight  0.10000E+01 volume  0.17858E-02 ppm1      1.584 ppm2      4.217 CV     1
 OR { 3256}
   (( segid "    " and resid 148  and name HG2 ))
   (( segid "    " and resid 148  and name HA  ))
 OR { 3256}
   (( segid "    " and resid 120  and name HG1 ))
   (( segid "    " and resid 120  and name HA  ))
 ASSI { 3260}
   (( segid "    " and resid 84   and name HG  ))
   (  segid "    " and resid 84   and name HD1%)
      2.700     0.900     0.900 peak  3260 spectrum    1 weight  0.10000E+01 volume  0.18492E-02 ppm1      1.342 ppm2      0.170 CV     1
 OR { 3260}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI { 3273}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 88   and name HB2 ))
      5.400     3.600     0.600 peak  3273 spectrum    1 weight  0.10000E+01 volume  0.31882E-03 ppm1      1.730 ppm2      2.981 CV     1
 OR { 3273}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 122  and name HB1 ))
 ASSI { 3275}
   (  segid "    " and resid 47   and name HB% )
   (  segid "    " and resid 73   and name HD1%)
      3.600     1.600     2.400 peak  3275 spectrum    1 weight  0.10000E+01 volume  0.40718E-02 ppm1      1.257 ppm2      0.647 CV     1
 OR { 3275}
   (  segid "    " and resid 47   and name HB% )
   (  segid "    " and resid 45   and name HG2%)
 ASSI { 3278}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HB2 ))
      2.400     0.700     0.700 peak  3278 spectrum    1 weight  0.10000E+01 volume  0.41555E-02 ppm1      0.678 ppm2      1.820 CV     1
 OR { 3278}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HB2 ))
 OR { 3278}
   (  segid "    " and resid 123  and name HD2%)
   (( segid "    " and resid 134  and name HB2 ))
 OR { 3278}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 87   and name HB  ))
 OR { 3278}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 87   and name HB  ))
 ASSI { 3279}
   (  segid "    " and resid 43   and name HD1%)
   (  segid "    " and resid 59   and name HG1%)
      3.300     1.500     1.500 peak  3279 spectrum    1 weight  0.10000E+01 volume  0.98112E-02 ppm1      0.681 ppm2      0.930 CV     1
 OR { 3279}
   (  segid "    " and resid 123  and name HD2%)
   (  segid "    " and resid 121  and name HG1%)
 ASSI { 3281}
   (( segid "    " and resid 68   and name HG  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.800     1.000     1.000 peak  3281 spectrum    1 weight  0.10000E+01 volume  0.33846E-02 ppm1      1.064 ppm2      1.280 CV     1
 OR { 3281}
   (( segid "    " and resid 68   and name HG  ))
   (  segid "    " and resid 70   and name HB% )
 ASSI { 3284}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 68   and name HB1 ))
      3.000     1.100     1.100 peak  3284 spectrum    1 weight  0.10000E+01 volume  0.18581E-02 ppm1      0.476 ppm2      1.572 CV     1
 OR { 3284}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HB1 ))
 OR { 3284}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 61   and name HG12))
 OR { 3284}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 45   and name HB  ))
 ASSI { 3286}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 84   and name HB1 ))
      2.800     1.000     1.000 peak  3286 spectrum    1 weight  0.10000E+01 volume  0.17431E-02 ppm1      0.471 ppm2      1.700 CV     1
 OR { 3286}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 61   and name HB  ))
 OR { 3286}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 84   and name HB1 ))
 ASSI { 3290}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HB2 ))
      2.400     0.700     0.700 peak  3290 spectrum    1 weight  0.10000E+01 volume  0.64484E-02 ppm1      0.510 ppm2      1.205 CV     1
 OR { 3290}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HB2 ))
 OR { 3290}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 22   and name HB2 ))
 OR { 3290}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 22   and name HB2 ))
 OR { 3290}
   (  segid "    " and resid 77   and name HD1%)
   (  segid "    " and resid 141  and name HB% )
 OR { 3290}
   (  segid "    " and resid 77   and name HD2%)
   (  segid "    " and resid 141  and name HB% )
 OR { 3290}
   (  segid "    " and resid 77   and name HD2%)
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 3296}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 77   and name HD1%)
      2.800     1.000     1.000 peak  3296 spectrum    1 weight  0.10000E+01 volume  0.13889E-02 ppm1      1.328 ppm2      0.521 CV     1
 OR { 3296}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 3296}
   (( segid "    " and resid 84   and name HG  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 3296}
   (( segid "    " and resid 84   and name HG  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 3307}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 31   and name HB1 ))
      4.200     2.200     1.800 peak  3307 spectrum    1 weight  0.10000E+01 volume  0.70562E-03 ppm1      0.624 ppm2      2.682 CV     1
 OR { 3307}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 122  and name HB2 ))
 ASSI { 3314}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 86   and name HB1 ))
      3.100     1.200     1.200 peak  3314 spectrum    1 weight  0.10000E+01 volume  0.40030E-02 ppm1      0.545 ppm2      1.629 CV     1
 OR { 3314}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 25   and name HB1 ))
 OR { 3314}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 75   and name HB1 ))
 OR { 3314}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 75   and name HD1 ))
 OR { 3314}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 26   and name HD1 ))
 OR { 3314}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 75   and name HD2 ))
 ASSI { 3316}
   (  segid "    " and resid 109  and name HG2%)
   (( segid "    " and resid 109  and name HB  ))
      2.000     0.500     0.500 peak  3316 spectrum    1 weight  0.10000E+01 volume  0.22575E-01 ppm1      0.867 ppm2      1.187 CV     1
 OR { 3316}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 85   and name HB1 ))
 OR { 3316}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 85   and name HB2 ))
 OR { 3316}
   (  segid "    " and resid 12   and name HG2%)
   (  segid "    " and resid 19   and name HD1%)
 ASSI { 3321}
   (  segid "    " and resid 12   and name HG2%)
   (  segid "    " and resid 20   and name HE% )
      3.800     1.800     1.600 peak  3321 spectrum    1 weight  0.10000E+01 volume  0.19489E-02 ppm1      0.852 ppm2      6.824 CV     1
 OR { 3321}
   (  segid "    " and resid 83   and name HG1%)
   (  segid "    " and resid 108  and name HE% )
 OR { 3321}
   (  segid "    " and resid 83   and name HG2%)
   (  segid "    " and resid 108  and name HE% )
 OR { 3321}
   (  segid "    " and resid 83   and name HG2%)
   (  segid "    " and resid 82   and name HN  )
 OR { 3321}
   (  segid "    " and resid 83   and name HG1%)
   (  segid "    " and resid 82   and name HN  )
 ASSI { 3324}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 59   and name HB  ))
      2.200     0.600     0.600 peak  3324 spectrum    1 weight  0.10000E+01 volume  0.63776E-02 ppm1      0.951 ppm2      1.873 CV     1
 OR { 3324}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 3326}
   (  segid "    " and resid 109  and name HG2%)
   (  segid "    " and resid 109  and name HG1%)
      2.200     0.600     0.600 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.20980E-01 ppm1      0.865 ppm2      0.575 CV     1
 ASSI { 3344}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.600     1.600     1.600 peak  3344 spectrum    1 weight  0.10000E+01 volume  0.63175E-03 ppm1      3.632 ppm2      7.580 CV     1
 OR { 3344}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 4    and name HD21))
 ASSI { 3361}
   (( segid "    " and resid 111  and name HB1 ))
   (( segid "    " and resid 111  and name HA  ))
      2.900     2.900     3.100 peak  3361 spectrum    1 weight  0.10000E+01 volume  0.64982E-03 ppm1      1.686 ppm2      4.567 CV     1
 OR { 3361}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HA  ))
 ASSI { 3368}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.100     1.100 peak  3368 spectrum    1 weight  0.10000E+01 volume  0.10163E-02 ppm1      1.620 ppm2      8.210 CV     1
 OR { 3368}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 3377}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.400     0.700     0.700 peak  3377 spectrum    1 weight  0.10000E+01 volume  0.41441E-02 ppm1      4.304 ppm2      1.908 CV     1
 OR { 3377}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 3380}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 57   and name HB% )
      4.500     2.500     1.500 peak  3380 spectrum    1 weight  0.10000E+01 volume  0.63830E-03 ppm1      5.651 ppm2      1.186 CV     1
 OR { 3380}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 59   and name HG2%)
 OR { 3380}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 62   and name HG2%)
 ASSI { 3390}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 42   and name HG2 ))
      4.100     2.100     1.900 peak  3390 spectrum    1 weight  0.10000E+01 volume  0.16965E-02 ppm1      3.025 ppm2      2.100 CV     1
 OR { 3390}
   (( segid "    " and resid 125  and name HB2 ))
   (( segid "    " and resid 127  and name HB1 ))
 OR { 3390}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 42   and name HG1 ))
 OR { 3390}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 48   and name HG2 ))
 OR { 3390}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 48   and name HG1 ))
 OR { 3390}
   (( segid "    " and resid 125  and name HB2 ))
   (( segid "    " and resid 127  and name HB2 ))
 OR { 3390}
   (( segid "    " and resid 105  and name HB1 ))
   (( segid "    " and resid 106  and name HB2 ))
 ASSI { 3406}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 20   and name HN  ))
      4.900     3.000     1.100 peak  3406 spectrum    1 weight  0.10000E+01 volume  0.39250E-03 ppm1      1.495 ppm2      9.298 CV     1
 OR { 3406}
   (( segid "    " and resid 140  and name HB2 ))
   (( segid "    " and resid 139  and name HN  ))
 OR { 3406}
   (( segid "    " and resid 140  and name HB1 ))
   (( segid "    " and resid 139  and name HN  ))
 ASSI { 3421}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 50   and name HB1 ))
      4.600     2.600     1.400 peak  3421 spectrum    1 weight  0.10000E+01 volume  0.87568E-03 ppm1      3.938 ppm2      1.769 CV     1
 ASSI { 3423}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 27   and name HG1 ))
      4.000     2.000     2.000 peak  3423 spectrum    1 weight  0.10000E+01 volume  0.15067E-02 ppm1      3.936 ppm2      1.662 CV     1
 OR { 3423}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR { 3423}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 50   and name HD1 ))
 OR { 3423}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 50   and name HD2 ))
 ASSI { 3427}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 136  and name HZ2 ))
      4.500     2.500     1.500 peak  3427 spectrum    1 weight  0.10000E+01 volume  0.51205E-03 ppm1     -0.013 ppm2      7.244 CV     1
 OR { 3427}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 3429}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      4.000     2.000     2.000 peak  3429 spectrum    1 weight  0.10000E+01 volume  0.53168E-03 ppm1     -0.011 ppm2      4.256 CV     1
 OR { 3429}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 138  and name HB  ))
 OR { 3429}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 24   and name HA  ))
 OR { 3429}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
 OR { 3429}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 47   and name HA  ))
 OR { 3429}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 3430}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 27   and name HG2 ))
      4.700     2.800     1.300 peak  3430 spectrum    1 weight  0.10000E+01 volume  0.41753E-03 ppm1     -0.017 ppm2      1.449 CV     1
 OR { 3430}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 26   and name HG2 ))
 OR { 3430}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 140  and name HB2 ))
 OR { 3430}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 140  and name HB1 ))
 OR { 3430}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 120  and name HB2 ))
 ASSI { 3431}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 85   and name HN  ))
      4.900     2.900     1.100 peak  3431 spectrum    1 weight  0.10000E+01 volume  0.55150E-03 ppm1      0.507 ppm2      9.065 CV     1
 OR { 3431}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 85   and name HN  ))
 OR { 3431}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 85   and name HN  ))
 OR { 3431}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 138  and name HN  ))
 OR { 3431}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 134  and name HN  ))
 OR { 3431}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 138  and name HN  ))
 ASSI { 3432}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 9    and name HN  ))
      4.000     2.000     2.000 peak  3432 spectrum    1 weight  0.10000E+01 volume  0.58223E-03 ppm1      0.509 ppm2      9.636 CV     1
 OR { 3432}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 108  and name HN  ))
 OR { 3432}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 108  and name HN  ))
 OR { 3432}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 108  and name HN  ))
 ASSI { 3437}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 59   and name HA  ))
      4.800     2.800     1.200 peak  3437 spectrum    1 weight  0.10000E+01 volume  0.39726E-03 ppm1      0.699 ppm2      4.567 CV     1
 OR { 3437}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 70   and name HA  ))
 ASSI { 3440}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      4.900     3.000     1.100 peak  3440 spectrum    1 weight  0.10000E+01 volume  0.41377E-03 ppm1      5.499 ppm2      7.848 CV     1
 OR { 3440}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 3443}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 79   and name HD% )
      3.900     1.900     1.900 peak  3443 spectrum    1 weight  0.10000E+01 volume  0.97363E-03 ppm1      4.391 ppm2      6.823 CV     1
 OR { 3443}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 20   and name HE% )
 ASSI { 3444}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 79   and name HD% )
      4.100     2.100     1.900 peak  3444 spectrum    1 weight  0.10000E+01 volume  0.83696E-03 ppm1      4.396 ppm2      6.775 CV     1
 OR { 3444}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
 OR { 3444}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 20   and name HE% )
 ASSI { 3455}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.900     1.100     1.100 peak  3455 spectrum    1 weight  0.10000E+01 volume  0.49737E-02 ppm1      4.372 ppm2      8.178 CV     1
 OR { 3455}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
 OR { 3455}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 3461}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 42   and name HA  ))
      3.000     3.000     3.000 peak  3461 spectrum    1 weight  0.10000E+01 volume  0.46603E-03 ppm1      0.617 ppm2      5.473 CV     1
 OR { 3461}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 3463}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 58   and name HA  ))
      3.200     1.300     1.300 peak  3463 spectrum    1 weight  0.10000E+01 volume  0.26680E-02 ppm1      3.786 ppm2      4.255 CV     1
 OR { 3463}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
 OR { 3463}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 3469}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.700     1.700     1.700 peak  3469 spectrum    1 weight  0.10000E+01 volume  0.41871E-02 ppm1      4.260 ppm2      1.435 CV     1
 OR { 3469}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 72   and name HG1 ))
 ASSI { 3483}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 70   and name HA  ))
      5.000     3.200     1.000 peak  3483 spectrum    1 weight  0.10000E+01 volume  0.33597E-03 ppm1      2.592 ppm2      4.504 CV     1
 OR { 3483}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
 OR { 3483}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 3492}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
      3.900     1.900     1.900 peak  3492 spectrum    1 weight  0.10000E+01 volume  0.29025E-03 ppm1      0.675 ppm2      3.951 CV     1
 OR { 3492}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 14   and name HD2 ))
 OR { 3492}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 3494}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 46   and name HN  ))
      4.100     2.100     1.900 peak  3494 spectrum    1 weight  0.10000E+01 volume  0.74088E-03 ppm1      0.636 ppm2      8.286 CV     1
 OR { 3494}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 3496}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 85   and name HN  ))
      4.700     2.800     1.300 peak  3496 spectrum    1 weight  0.10000E+01 volume  0.48417E-03 ppm1      4.090 ppm2      9.085 CV     1
 OR { 3496}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 3505}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 11   and name HG2%)
      4.200     2.200     1.800 peak  3505 spectrum    1 weight  0.10000E+01 volume  0.71003E-03 ppm1      3.058 ppm2      1.275 CV     1
 OR { 3505}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 84   and name HG  ))
 OR { 3505}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 84   and name HB2 ))
 OR { 3505}
   (( segid "    " and resid 20   and name HB1 ))
   (  segid "    " and resid 11   and name HG2%)
 OR { 3505}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 84   and name HG  ))
 ASSI { 3506}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 11   and name HG2%)
      4.500     2.500     1.500 peak  3506 spectrum    1 weight  0.10000E+01 volume  0.10605E-02 ppm1      2.578 ppm2      1.275 CV     1
 OR { 3506}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 84   and name HB2 ))
 OR { 3506}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 84   and name HG  ))
 ASSI { 3507}
   (( segid "    " and resid 20   and name HB1 ))
   (  segid "    " and resid 11   and name HG1%)
      3.500     1.500     1.500 peak  3507 spectrum    1 weight  0.10000E+01 volume  0.87561E-03 ppm1      3.042 ppm2      0.695 CV     1
 OR { 3507}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 11   and name HG1%)
 OR { 3507}
   (( segid "    " and resid 20   and name HB1 ))
   (  segid "    " and resid 19   and name HD1%)
 ASSI { 3509}
   (( segid "    " and resid 133  and name HB2 ))
   (  segid "    " and resid 123  and name HD2%)
      3.900     1.900     1.900 peak  3509 spectrum    1 weight  0.10000E+01 volume  0.12252E-02 ppm1      2.584 ppm2      0.689 CV     1
 OR { 3509}
   (( segid "    " and resid 133  and name HB2 ))
   (  segid "    " and resid 123  and name HD1%)
 OR { 3509}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 11   and name HG1%)
 ASSI { 3511}
   (( segid "    " and resid 20   and name HB1 ))
   (  segid "    " and resid 84   and name HD1%)
      3.200     1.300     1.300 peak  3511 spectrum    1 weight  0.10000E+01 volume  0.73955E-03 ppm1      3.043 ppm2      0.172 CV     1
 OR { 3511}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 84   and name HD1%)
 ASSI { 3525}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 80   and name HG2 ))
      4.800     2.800     1.200 peak  3525 spectrum    1 weight  0.10000E+01 volume  0.70391E-03 ppm1      2.825 ppm2      2.084 CV     1
 OR { 3525}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 80   and name HG1 ))
 OR { 3525}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 5    and name HB  ))
 OR { 3525}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 6    and name HB2 ))
 OR { 3525}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HB  ))
 OR { 3525}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI { 3535}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      3.000     1.100     1.100 peak  3535 spectrum    1 weight  0.10000E+01 volume  0.10733E-02 ppm1      5.624 ppm2      9.070 CV     1
 OR { 3535}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 134  and name HN  ))
 ASSI { 3540}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 86   and name HD1%)
      3.600     1.600     1.600 peak  3540 spectrum    1 weight  0.10000E+01 volume  0.17975E-02 ppm1      4.664 ppm2      0.500 CV     1
 OR { 3540}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 87   and name HG1%)
 ASSI { 3549}
   (( segid "    " and resid 86   and name HB1 ))
   (  segid "    " and resid 108  and name HD% )
      4.400     2.400     1.600 peak  3549 spectrum    1 weight  0.10000E+01 volume  0.50193E-03 ppm1      1.616 ppm2      6.735 CV     1
 OR { 3549}
   (( segid "    " and resid 86   and name HB1 ))
   (  segid "    " and resid 106  and name HD% )
 ASSI { 3550}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 108  and name HD% )
      3.800     1.800     1.800 peak  3550 spectrum    1 weight  0.10000E+01 volume  0.49954E-03 ppm1      1.284 ppm2      6.737 CV     1
 OR { 3550}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 106  and name HD% )
 ASSI { 3558}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 20   and name HB1 ))
      4.000     2.000     2.000 peak  3558 spectrum    1 weight  0.10000E+01 volume  0.63324E-03 ppm1      0.492 ppm2      2.984 CV     1
 OR { 3558}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 20   and name HB1 ))
 OR { 3558}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 108  and name HB1 ))
 OR { 3558}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 108  and name HB1 ))
 OR { 3558}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 108  and name HB1 ))
 ASSI { 3562}
   (  segid "    " and resid 86   and name HD2%)
   (  segid "    " and resid 86   and name HD1%)
      2.600     0.800     0.800 peak  3562 spectrum    1 weight  0.10000E+01 volume  0.58508E-02 ppm1      0.640 ppm2      0.541 CV     1
 OR { 3562}
   (  segid "    " and resid 86   and name HD2%)
   (  segid "    " and resid 45   and name HG1%)
 ASSI { 3564}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 106  and name HB1 ))
      4.800     2.800     1.200 peak  3564 spectrum    1 weight  0.10000E+01 volume  0.52632E-03 ppm1      0.645 ppm2      3.089 CV     1
 OR { 3564}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 44   and name HB1 ))
 OR { 3564}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 3573}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 103  and name HB2 ))
      3.200     1.300     1.300 peak  3573 spectrum    1 weight  0.10000E+01 volume  0.21154E-02 ppm1      0.490 ppm2      1.623 CV     1
 OR { 3573}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 85   and name HB1 ))
 OR { 3573}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 103  and name HB1 ))
 OR { 3573}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 86   and name HB1 ))
 ASSI { 3576}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 89   and name HB2 ))
      4.600     2.700     1.400 peak  3576 spectrum    1 weight  0.10000E+01 volume  0.80239E-03 ppm1      0.486 ppm2      2.105 CV     1
 OR { 3576}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 106  and name HB2 ))
 ASSI { 3577}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 106  and name HB1 ))
      4.500     2.600     1.500 peak  3577 spectrum    1 weight  0.10000E+01 volume  0.91981E-03 ppm1      0.490 ppm2      3.084 CV     1
 OR { 3577}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 105  and name HB1 ))
 ASSI { 3584}
   (( segid "    " and resid 88   and name HB2 ))
   (  segid "    " and resid 88   and name HD% )
      3.300     1.400     1.400 peak  3584 spectrum    1 weight  0.10000E+01 volume  0.55363E-03 ppm1      2.991 ppm2      7.118 CV     1
 OR { 3584}
   (( segid "    " and resid 122  and name HB1 ))
   (  segid "    " and resid 134  and name HE% )
 OR { 3584}
   (( segid "    " and resid 108  and name HB1 ))
   (( segid "    " and resid 141  and name HN  ))
 ASSI { 3591}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 90   and name HN  ))
      4.500     2.500     1.500 peak  3591 spectrum    1 weight  0.10000E+01 volume  0.87648E-03 ppm1      2.221 ppm2      9.232 CV     1
 OR { 3591}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 88   and name HN  ))
 ASSI { 3601}
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 72   and name HB2 ))
      3.300     1.300     1.300 peak  3601 spectrum    1 weight  0.10000E+01 volume  0.65538E-03 ppm1      3.104 ppm2      1.968 CV     1
 OR { 3601}
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 72   and name HB1 ))
 ASSI { 3610}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 23   and name HB  ))
      4.400     2.400     1.600 peak  3610 spectrum    1 weight  0.10000E+01 volume  0.79657E-03 ppm1      2.826 ppm2      3.680 CV     1
 OR { 3610}
   (( segid "    " and resid 92   and name HB1 ))
   (( segid "    " and resid 93   and name HD1 ))
 OR { 3610}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 23   and name HB  ))
 OR { 3610}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 93   and name HD1 ))
 OR { 3610}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI { 3611}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 96   and name HN  ))
      3.700     1.700     1.700 peak  3611 spectrum    1 weight  0.10000E+01 volume  0.41536E-03 ppm1      2.281 ppm2      7.083 CV     1
 OR { 3611}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 97   and name HN  ))
 ASSI { 3628}
   (( segid "    " and resid 96   and name HB  ))
   (( segid "    " and resid 128  and name HG1 ))
      4.700     2.800     1.300 peak  3628 spectrum    1 weight  0.10000E+01 volume  0.33921E-03 ppm1      4.102 ppm2      2.398 CV     1
 OR { 3628}
   (( segid "    " and resid 96   and name HB  ))
   (( segid "    " and resid 128  and name HG2 ))
 OR { 3628}
   (( segid "    " and resid 96   and name HB  ))
   (( segid "    " and resid 130  and name HB2 ))
 OR { 3628}
   (( segid "    " and resid 96   and name HB  ))
   (( segid "    " and resid 127  and name HG2 ))
 OR { 3628}
   (( segid "    " and resid 96   and name HB  ))
   (( segid "    " and resid 127  and name HG1 ))
 OR { 3628}
   (( segid "    " and resid 96   and name HB  ))
   (( segid "    " and resid 95   and name HB1 ))
 ASSI { 3652}
   (( segid "    " and resid 13   and name HB1 ))
   (  segid "    " and resid 12   and name HG2%)
      4.800     2.900     1.200 peak  3652 spectrum    1 weight  0.10000E+01 volume  0.61916E-03 ppm1      3.172 ppm2      0.866 CV     1
 OR { 3652}
   (( segid "    " and resid 110  and name HB1 ))
   (  segid "    " and resid 109  and name HG2%)
 ASSI { 3653}
   (( segid "    " and resid 110  and name HB2 ))
   (  segid "    " and resid 109  and name HG2%)
      4.500     2.500     1.500 peak  3653 spectrum    1 weight  0.10000E+01 volume  0.72966E-03 ppm1      2.759 ppm2      0.869 CV     1
 OR { 3653}
   (( segid "    " and resid 110  and name HB2 ))
   (  segid "    " and resid 140  and name HD1%)
 ASSI { 3654}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 143  and name HN  ))
      4.500     2.500     1.500 peak  3654 spectrum    1 weight  0.10000E+01 volume  0.49817E-03 ppm1      3.174 ppm2      8.978 CV     1
 ASSI { 3657}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      4.500     2.500     1.500 peak  3657 spectrum    1 weight  0.10000E+01 volume  0.67508E-03 ppm1      3.188 ppm2      8.218 CV     1
 OR { 3657}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 144  and name HN  ))
 OR { 3657}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 146  and name HN  ))
 OR { 3657}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
 OR { 3657}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 3661}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 142  and name HA  ))
      4.500     2.500     1.500 peak  3661 spectrum    1 weight  0.10000E+01 volume  0.92045E-03 ppm1      3.155 ppm2      4.863 CV     1
 OR { 3661}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 69   and name HA  ))
 OR { 3661}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
 OR { 3661}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 142  and name HA  ))
 ASSI { 3665}
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 111  and name HD2 ))
      4.100     2.100     1.900 peak  3665 spectrum    1 weight  0.10000E+01 volume  0.90528E-03 ppm1      2.631 ppm2      1.690 CV     1
 OR { 3665}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 75   and name HB1 ))
 OR { 3665}
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 111  and name HD1 ))
 OR { 3665}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 75   and name HB1 ))
 OR { 3665}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 84   and name HB1 ))
 ASSI { 3666}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 75   and name HD2 ))
      4.000     2.000     2.000 peak  3666 spectrum    1 weight  0.10000E+01 volume  0.89858E-03 ppm1      2.623 ppm2      1.618 CV     1
 OR { 3666}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 75   and name HD1 ))
 OR { 3666}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 75   and name HB1 ))
 OR { 3666}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 75   and name HD2 ))
 OR { 3666}
   (( segid "    " and resid 113  and name HB2 ))
   (  segid "    " and resid 114  and name HB% )
 OR { 3666}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 75   and name HB1 ))
 OR { 3666}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 75   and name HD1 ))
 ASSI { 3667}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 137  and name HB1 ))
      4.600     2.700     1.400 peak  3667 spectrum    1 weight  0.10000E+01 volume  0.71403E-03 ppm1      1.559 ppm2      3.346 CV     1
 OR { 3667}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 142  and name HB1 ))
 ASSI { 3671}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 136  and name HE1 ))
      4.100     2.100     1.900 peak  3671 spectrum    1 weight  0.10000E+01 volume  0.41460E-03 ppm1      4.372 ppm2      9.805 CV     1
 OR { 3671}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 136  and name HE1 ))
 ASSI { 3682}
   (( segid "    " and resid 120  and name HB1 ))
   (  segid "    " and resid 33   and name HD1%)
      4.400     2.500     1.600 peak  3682 spectrum    1 weight  0.10000E+01 volume  0.11077E-02 ppm1      1.591 ppm2      0.921 CV     1
 OR { 3682}
   (( segid "    " and resid 120  and name HB1 ))
   (  segid "    " and resid 33   and name HG2%)
 OR { 3682}
   (( segid "    " and resid 120  and name HB1 ))
   (  segid "    " and resid 121  and name HG1%)
 OR { 3682}
   (( segid "    " and resid 120  and name HB1 ))
   (  segid "    " and resid 121  and name HG2%)
 ASSI { 3684}
   (( segid "    " and resid 120  and name HB2 ))
   (  segid "    " and resid 41   and name HD1%)
      4.600     2.700     1.400 peak  3684 spectrum    1 weight  0.10000E+01 volume  0.43415E-03 ppm1      1.433 ppm2      0.614 CV     1
 OR { 3684}
   (( segid "    " and resid 120  and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 3684}
   (( segid "    " and resid 120  and name HB2 ))
   (  segid "    " and resid 109  and name HG1%)
 ASSI { 3685}
   (( segid "    " and resid 121  and name HA  ))
   (  segid "    " and resid 122  and name HD% )
      4.800     2.800     1.200 peak  3685 spectrum    1 weight  0.10000E+01 volume  0.58044E-03 ppm1      4.301 ppm2      6.631 CV     1
 OR { 3685}
   (( segid "    " and resid 121  and name HA  ))
   (  segid "    " and resid 134  and name HD% )
 ASSI { 3689}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 137  and name HN  ))
      4.700     2.800     1.300 peak  3689 spectrum    1 weight  0.10000E+01 volume  0.54248E-03 ppm1      0.895 ppm2      9.783 CV     1
 OR { 3689}
   (  segid "    " and resid 109  and name HG2%)
   (( segid "    " and resid 137  and name HN  ))
 ASSI { 3690}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 120  and name HA  ))
      2.500     0.800     0.800 peak  3690 spectrum    1 weight  0.10000E+01 volume  0.97587E-02 ppm1      0.893 ppm2      4.237 CV     1
 OR { 3690}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 148  and name HA  ))
 OR { 3690}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 120  and name HA  ))
 OR { 3690}
   (  segid "    " and resid 146  and name HG1%)
   (( segid "    " and resid 148  and name HA  ))
 OR { 3690}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 123  and name HA  ))
 ASSI { 3698}
   (( segid "    " and resid 108  and name HB1 ))
   (( segid "    " and resid 109  and name HA  ))
      5.900     4.400     0.100 peak  3698 spectrum    1 weight  0.10000E+01 volume  0.22990E-03 ppm1      2.963 ppm2      4.437 CV     1
 OR { 3698}
   (( segid "    " and resid 108  and name HB1 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI { 3700}
   (( segid "    " and resid 108  and name HB1 ))
   (( segid "    " and resid 108  and name HN  ))
      4.400     2.500     1.600 peak  3700 spectrum    1 weight  0.10000E+01 volume  0.31815E-03 ppm1      2.958 ppm2      9.660 CV     1
 ASSI { 3701}
   (( segid "    " and resid 122  and name HB1 ))
   (  segid "    " and resid 33   and name HD1%)
      3.700     1.700     1.700 peak  3701 spectrum    1 weight  0.10000E+01 volume  0.84758E-03 ppm1      2.956 ppm2      0.898 CV     1
 OR { 3701}
   (( segid "    " and resid 108  and name HB1 ))
   (( segid "    " and resid 22   and name HG  ))
 OR { 3701}
   (( segid "    " and resid 108  and name HB1 ))
   (  segid "    " and resid 83   and name HG1%)
 OR { 3701}
   (( segid "    " and resid 122  and name HB1 ))
   (  segid "    " and resid 41   and name HG2%)
 OR { 3701}
   (( segid "    " and resid 108  and name HB1 ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 3703}
   (( segid "    " and resid 122  and name HB1 ))
   (  segid "    " and resid 41   and name HD1%)
      4.500     2.500     1.500 peak  3703 spectrum    1 weight  0.10000E+01 volume  0.45663E-03 ppm1      2.958 ppm2      0.621 CV     1
 OR { 3703}
   (( segid "    " and resid 108  and name HB1 ))
   (  segid "    " and resid 109  and name HG1%)
 OR { 3703}
   (( segid "    " and resid 108  and name HB1 ))
   (  segid "    " and resid 25   and name HD2%)
 OR { 3703}
   (( segid "    " and resid 88   and name HB2 ))
   (  segid "    " and resid 45   and name HG2%)
 OR { 3703}
   (( segid "    " and resid 88   and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 3703}
   (( segid "    " and resid 88   and name HB2 ))
   (  segid "    " and resid 86   and name HD2%)
 OR { 3703}
   (( segid "    " and resid 108  and name HB1 ))
   (  segid "    " and resid 45   and name HG2%)
 OR { 3703}
   (( segid "    " and resid 122  and name HB1 ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 3704}
   (( segid "    " and resid 122  and name HB2 ))
   (  segid "    " and resid 41   and name HD1%)
      4.200     2.200     1.800 peak  3704 spectrum    1 weight  0.10000E+01 volume  0.54199E-03 ppm1      2.670 ppm2      0.612 CV     1
 OR { 3704}
   (( segid "    " and resid 122  and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 3705}
   (( segid "    " and resid 108  and name HB1 ))
   (  segid "    " and resid 108  and name HD% )
      3.200     1.300     1.300 peak  3705 spectrum    1 weight  0.10000E+01 volume  0.64119E-03 ppm1      2.969 ppm2      6.727 CV     1
 OR { 3705}
   (( segid "    " and resid 88   and name HB2 ))
   (  segid "    " and resid 106  and name HD% )
 ASSI { 3729}
   (( segid "    " and resid 135  and name HB1 ))
   (( segid "    " and resid 123  and name HB2 ))
      4.700     2.800     1.300 peak  3729 spectrum    1 weight  0.10000E+01 volume  0.44975E-03 ppm1      3.769 ppm2      1.167 CV     1
 OR { 3729}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 75   and name HG2 ))
 OR { 3729}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HG2 ))
 OR { 3729}
   (( segid "    " and resid 135  and name HB1 ))
   (( segid "    " and resid 109  and name HB  ))
 OR { 3729}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 59   and name HG2%)
 OR { 3729}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 59   and name HG2%)
 OR { 3729}
   (( segid "    " and resid 135  and name HB1 ))
   (  segid "    " and resid 141  and name HB% )
 ASSI { 3736}
   (( segid "    " and resid 100  and name HG1 ))
   (( segid "    " and resid 97   and name HN  ))
      4.600     2.600     1.400 peak  3736 spectrum    1 weight  0.10000E+01 volume  0.45348E-03 ppm1      2.512 ppm2      7.068 CV     1
 OR { 3736}
   (( segid "    " and resid 136  and name HB2 ))
   (( segid "    " and resid 136  and name HE3 ))
 ASSI { 3739}
   (( segid "    " and resid 136  and name HB1 ))
   (( segid "    " and resid 120  and name HB1 ))
      4.800     2.900     1.200 peak  3739 spectrum    1 weight  0.10000E+01 volume  0.25575E-03 ppm1      3.189 ppm2      1.589 CV     1
 OR { 3739}
   (( segid "    " and resid 136  and name HB1 ))
   (  segid "    " and resid 114  and name HB% )
 ASSI { 3742}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 141  and name HN  ))
      5.500     3.800     0.500 peak  3742 spectrum    1 weight  0.10000E+01 volume  0.54214E-03 ppm1      5.524 ppm2      7.089 CV     1
 OR { 3742}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 141  and name HN  ))
 ASSI { 3760}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 21   and name HB1 ))
      4.600     2.700     1.400 peak  3760 spectrum    1 weight  0.10000E+01 volume  0.59585E-03 ppm1      1.451 ppm2      2.899 CV     1
 OR { 3760}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 75   and name HE1 ))
 OR { 3760}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 75   and name HE2 ))
 ASSI { 3765}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 139  and name HA  ))
      4.000     2.200     2.000 peak  3765 spectrum    1 weight  0.10000E+01 volume  0.20170E-02 ppm1      0.858 ppm2      4.547 CV     1
 OR { 3765}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 11  and name HA  ))
 ASSI { 3776}
   (( segid "    " and resid 142  and name HB1 ))
   (( segid "    " and resid 110  and name HB2 ))
      4.600     2.600     1.400 peak  3776 spectrum    1 weight  0.10000E+01 volume  0.53556E-03 ppm1      3.351 ppm2      2.750 CV     1
 OR { 3776}
   (( segid "    " and resid 125  and name HB1 ))
   (( segid "    " and resid 133  and name HB1 ))
 ASSI { 3780}
   (( segid "    " and resid 143  and name HB2 ))
   (  segid "    " and resid 20   and name HE% )
      3.900     1.900     1.900 peak  3780 spectrum    1 weight  0.10000E+01 volume  0.92741E-03 ppm1      1.667 ppm2      6.810 CV     1
 OR { 3780}
   (( segid "    " and resid 143  and name HB1 ))
   (  segid "    " and resid 20   and name HE% )
 OR { 3780}
   (( segid "    " and resid 119  and name HB1 ))
   (  segid "    " and resid 119  and name HE21)
 ASSI { 3789}
   (( segid "    " and resid 143  and name HG2 ))
   (( segid "    " and resid 13   and name HD21))
      4.400     2.400     1.600 peak  3789 spectrum    1 weight  0.10000E+01 volume  0.62795E-03 ppm1      1.882 ppm2      7.275 CV     1
 OR { 3789}
   (( segid "    " and resid 59   and name HB  ))
   (  segid "    " and resid 125  and name HE% )
 OR { 3789}
   (( segid "    " and resid 59   and name HB  ))
   (( segid "    " and resid 69   and name HD21))
 OR { 3789}
   (( segid "    " and resid 59   and name HB  ))
   (( segid "    " and resid 69   and name HD22))
 ASSI { 3797}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 20   and name HE% )
      5.000     3.100     1.000 peak  3797 spectrum    1 weight  0.10000E+01 volume  0.38063E-03 ppm1      5.488 ppm2      6.820 CV     1
 OR { 3797}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 79   and name HD% )
 ASSI { 3806}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 18   and name HA  ))
      4.500     2.500     1.500 peak  3806 spectrum    1 weight  0.10000E+01 volume  0.54693E-03 ppm1      4.282 ppm2      3.957 CV     1
 OR { 3806}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 14   and name HD2 ))
 ASSI { 3826}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 20   and name HB2 ))
      3.700     1.700     1.700 peak  3826 spectrum    1 weight  0.10000E+01 volume  0.21970E-02 ppm1      1.281 ppm2      2.665 CV     1
 OR { 3826}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 9    and name HB1 ))
 OR { 3826}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 97   and name HB1 ))
 OR { 3826}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 3827}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 10   and name HE  ))
      4.500     2.500     1.500 peak  3827 spectrum    1 weight  0.10000E+01 volume  0.61426E-03 ppm1      1.279 ppm2      6.927 CV     1
 OR { 3827}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 10   and name HE  ))
 ASSI { 3840}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HG11))
      3.200     1.200     1.200 peak  3840 spectrum    1 weight  0.10000E+01 volume  0.77211E-03 ppm1      2.209 ppm2      1.411 CV     1
 OR { 3840}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HG12))
 OR { 3840}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 120  and name HG2 ))
 OR { 3840}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 41   and name HG11))
 ASSI { 3842}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 41   and name HD1%)
      4.400     2.400     1.600 peak  3842 spectrum    1 weight  0.10000E+01 volume  0.91281E-03 ppm1      2.190 ppm2      0.617 CV     1
 OR { 3842}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 41   and name HD1%)
 OR { 3842}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 3844}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 86   and name HB1 ))
      2.900     1.000     1.000 peak  3844 spectrum    1 weight  0.10000E+01 volume  0.85591E-03 ppm1      2.166 ppm2      1.622 CV     1
 OR { 3844}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 85   and name HB1 ))
 OR { 3844}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 61   and name HG12))
 ASSI { 3851}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 31   and name HD% )
      3.300     1.400     1.400 peak  3851 spectrum    1 weight  0.10000E+01 volume  0.31752E-02 ppm1      5.197 ppm2      7.293 CV     1
 OR { 3851}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 3855}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 45   and name HG2%)
      3.800     1.800     1.800 peak  3855 spectrum    1 weight  0.10000E+01 volume  0.13370E-02 ppm1      5.186 ppm2      0.622 CV     1
 OR { 3855}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 3855}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 3862}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      4.500     2.500     1.500 peak  3862 spectrum    1 weight  0.10000E+01 volume  0.51346E-03 ppm1      3.066 ppm2      7.279 CV     1
 OR { 3862}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
 OR { 3862}
   (( segid "    " and resid 125  and name HB2 ))
   (  segid "    " and resid 125  and name HE% )
 OR { 3862}
   (( segid "    " and resid 106  and name HB1 ))
   (  segid "    " and resid 31   and name HD% )
 ASSI { 3884}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.300     1.300 peak  3884 spectrum    1 weight  0.10000E+01 volume  0.47569E-03 ppm1      4.362 ppm2      8.867 CV     1
 OR { 3884}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 3901}
   (  segid "    " and resid 58   and name HB% )
   (  segid "    " and resid 73   and name HD1%)
      4.200     2.200     1.800 peak  3901 spectrum    1 weight  0.10000E+01 volume  0.19130E-02 ppm1      0.261 ppm2      0.640 CV     1
 OR { 3901}
   (  segid "    " and resid 58   and name HB% )
   (  segid "    " and resid 45   and name HG2%)
 OR { 3901}
   (  segid "    " and resid 58   and name HB% )
   (  segid "    " and resid 43   and name HD2%)
 OR { 3901}
   (  segid "    " and resid 58   and name HB% )
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 3902}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 72   and name HB1 ))
      5.300     3.400     0.700 peak  3902 spectrum    1 weight  0.10000E+01 volume  0.45907E-03 ppm1      0.260 ppm2      1.937 CV     1
 OR { 3902}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 72   and name HB2 ))
 OR { 3902}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 48   and name HB1 ))
 ASSI { 3903}
   (  segid "    " and resid 58   and name HB% )
   (  segid "    " and resid 59   and name HG2%)
      2.400     0.700     0.700 peak  3903 spectrum    1 weight  0.10000E+01 volume  0.22451E-02 ppm1      0.265 ppm2      1.171 CV     1
 OR { 3903}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 73   and name HB2 ))
 OR { 3903}
   (  segid "    " and resid 58   and name HB% )
   (  segid "    " and resid 57   and name HB% )
 ASSI { 3904}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 88   and name HH  ))
      4.700     2.800     1.300 peak  3904 spectrum    1 weight  0.10000E+01 volume  0.48858E-03 ppm1      0.270 ppm2      9.230 CV     1
 OR { 3904}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 90   and name HN  ))
 OR { 3904}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 88   and name HN  ))
 ASSI { 3908}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 57   and name HB% )
      4.600     2.700     1.400 peak  3908 spectrum    1 weight  0.10000E+01 volume  0.61585E-03 ppm1      2.625 ppm2      1.188 CV     1
 OR { 3908}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 59   and name HG2%)
 OR { 3908}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 62   and name HG2%)
 ASSI { 3918}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      3.500     1.500     1.500 peak  3918 spectrum    1 weight  0.10000E+01 volume  0.22137E-02 ppm1      1.174 ppm2      8.993 CV     1
 OR { 3918}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 3923}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HA  ))
      3.100     1.200     1.200 peak  3923 spectrum    1 weight  0.10000E+01 volume  0.17780E-02 ppm1      2.770 ppm2      4.804 CV     1
 OR { 3923}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 3941}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      4.600     2.700     1.400 peak  3941 spectrum    1 weight  0.10000E+01 volume  0.68246E-03 ppm1      1.203 ppm2      4.518 CV     1
 OR { 3941}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI { 3942}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      5.100     3.300     0.900 peak  3942 spectrum    1 weight  0.10000E+01 volume  0.94544E-03 ppm1      1.331 ppm2      4.528 CV     1
 OR { 3942}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI { 3953}
   (( segid "    " and resid 105  and name HB1 ))
   (( segid "    " and resid 105  and name HN  ))
      4.300     2.300     1.700 peak  3953 spectrum    1 weight  0.10000E+01 volume  0.42054E-03 ppm1      3.040 ppm2      9.360 CV     1
 OR { 3953}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 3954}
   (( segid "    " and resid 105  and name HB1 ))
   (( segid "    " and resid 105  and name HA  ))
      4.100     2.100     1.900 peak  3954 spectrum    1 weight  0.10000E+01 volume  0.23246E-03 ppm1      3.058 ppm2      5.063 CV     1
 OR { 3954}
   (( segid "    " and resid 105  and name HB1 ))
   (( segid "    " and resid 133  and name HA  ))
 OR { 3954}
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 105  and name HA  ))
 OR { 3954}
   (( segid "    " and resid 105  and name HB1 ))
   (( segid "    " and resid 104  and name HB1 ))
 ASSI { 3955}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 105  and name HA  ))
      3.800     1.800     1.800 peak  3955 spectrum    1 weight  0.10000E+01 volume  0.31407E-03 ppm1      2.647 ppm2      5.063 CV     1
 OR { 3955}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 133  and name HA  ))
 OR { 3955}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 104  and name HB1 ))
 ASSI { 3960}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 108  and name HD% )
      3.000     1.100     1.100 peak  3960 spectrum    1 weight  0.10000E+01 volume  0.23137E-02 ppm1      5.171 ppm2      6.751 CV     1
 OR { 3960}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 106  and name HD% )
 ASSI { 3969}
   (( segid "    " and resid 110  and name HA  ))
   (  segid "    " and resid 141  and name HB% )
      2.800     1.000     1.000 peak  3969 spectrum    1 weight  0.10000E+01 volume  0.24783E-02 ppm1      4.440 ppm2      1.171 CV     1
 OR { 3969}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 109  and name HB  ))
 ASSI { 3972}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 139  and name HB2 ))
      3.900     1.900     1.900 peak  3972 spectrum    1 weight  0.10000E+01 volume  0.20032E-02 ppm1      4.567 ppm2      4.238 CV     1
 OR { 3972}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 46   and name HA  ))
 OR { 3972}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
 OR { 3972}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 115  and name HA1 ))
 ASSI { 3975}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.600     0.900     0.900 peak  3975 spectrum    1 weight  0.10000E+01 volume  0.32338E-02 ppm1      4.575 ppm2      1.705 CV     1
 OR { 3975}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
 OR { 3975}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HD1 ))
 OR { 3975}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HD2 ))
 ASSI { 3976}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 109  and name HG1%)
      5.400     3.700     0.600 peak  3976 spectrum    1 weight  0.10000E+01 volume  0.59303E-03 ppm1      4.576 ppm2      0.662 CV     1
 OR { 3976}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI { 3979}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 140  and name HG  ))
      5.000     3.200     1.000 peak  3979 spectrum    1 weight  0.10000E+01 volume  0.56804E-03 ppm1      4.240 ppm2      1.288 CV     1
 OR { 3979}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
 OR { 3979}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
 ASSI { 3983}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 108  and name HD% )
      3.400     1.500     1.500 peak  3983 spectrum    1 weight  0.10000E+01 volume  0.50505E-03 ppm1      5.621 ppm2      6.729 CV     1
 OR { 3983}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 105  and name HE% )
 OR { 3983}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 106  and name HD% )
 ASSI { 3991}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 127  and name HN  ))
      2.300     0.600     0.600 peak  3991 spectrum    1 weight  0.10000E+01 volume  0.40015E-02 ppm1      4.721 ppm2      8.870 CV     1
 OR { 3991}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 126  and name HN  ))
 ASSI { 4001}
   (( segid "    " and resid 132  and name HA  ))
   (( segid "    " and resid 125  and name HN  ))
      4.000     2.200     2.000 peak  4001 spectrum    1 weight  0.10000E+01 volume  0.11908E-02 ppm1      5.225 ppm2      8.522 CV     1
 ASSI { 4020}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 29   and name HN  ))
      5.200     3.400     0.800 peak  4020 spectrum    1 weight  0.10000E+01 volume  0.51392E-03 ppm1      2.490 ppm2      8.224 CV     1
 OR { 4020}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 4026}
   (  segid "    " and resid 41   and name HG2%)
   (  segid "    " and resid 41   and name HD1%)
      1.900     0.400     0.400 peak  4026 spectrum    1 weight  0.10000E+01 volume  0.13961E-01 ppm1      0.867 ppm2      0.615 CV     1
 OR { 4026}
   (  segid "    " and resid 41   and name HG2%)
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 4029}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 59   and name HA  ))
      4.800     2.900     1.200 peak  4029 spectrum    1 weight  0.10000E+01 volume  0.85556E-03 ppm1      0.869 ppm2      4.601 CV     1
 OR { 4029}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 4046}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 84   and name HN  ))
      4.700     2.800     1.300 peak  4046 spectrum    1 weight  0.10000E+01 volume  0.69760E-03 ppm1      0.435 ppm2      8.311 CV     1
 OR { 4046}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 109  and name HN  ))
 ASSI { 4051}
   (( segid "    " and resid 119  and name HG2 ))
   (( segid "    " and resid 114  and name HN  ))
      2.700     2.700     3.300 peak  4051 spectrum    1 weight  0.10000E+01 volume  0.91281E-03 ppm1      2.436 ppm2      7.679 CV     1
 OR { 4051}
   (( segid "    " and resid 119  and name HG1 ))
   (( segid "    " and resid 114  and name HN  ))
 OR { 4051}
   (( segid "    " and resid 119  and name HG1 ))
   (( segid "    " and resid 107  and name HN  ))
 ASSI { 4075}
   (( segid "    " and resid 2    and name HE2 ))
   (( segid "    " and resid 2    and name HD1 ))
      1.800     0.400     0.400 peak  4075 spectrum    1 weight  0.10000E+01 volume  0.29585E-01 ppm1      2.971 ppm2      1.678 CV     1
 OR { 4075}
   (( segid "    " and resid 2    and name HE1 ))
   (( segid "    " and resid 2    and name HD2 ))
 OR { 4075}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HD2 ))
 OR { 4075}
   (( segid "    " and resid 50   and name HE1 ))
   (( segid "    " and resid 50   and name HD1 ))
 OR { 4075}
   (( segid "    " and resid 99   and name HE1 ))
   (( segid "    " and resid 99   and name HD1 ))
 OR { 4075}
   (( segid "    " and resid 99   and name HE1 ))
   (( segid "    " and resid 99   and name HD2 ))
 OR { 4075}
   (( segid "    " and resid 50   and name HE1 ))
   (( segid "    " and resid 50   and name HD2 ))
 OR { 4075}
   (( segid "    " and resid 99   and name HE2 ))
   (( segid "    " and resid 99   and name HD1 ))
 OR { 4075}
   (( segid "    " and resid 99   and name HE2 ))
   (( segid "    " and resid 99   and name HD2 ))
 OR { 4075}
   (( segid "    " and resid 26   and name HE2 ))
   (( segid "    " and resid 26   and name HD1 ))
 OR { 4075}
   (( segid "    " and resid 26   and name HE1 ))
   (( segid "    " and resid 26   and name HD1 ))
 OR { 4075}
   (( segid "    " and resid 26   and name HE2 ))
   (( segid "    " and resid 26   and name HD2 ))
 OR { 4075}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HD1 ))
 OR { 4075}
   (( segid "    " and resid 2    and name HE2 ))
   (( segid "    " and resid 2    and name HD2 ))
 OR { 4075}
   (( segid "    " and resid 2    and name HE1 ))
   (( segid "    " and resid 2    and name HD1 ))
 ASSI { 4077}
   (( segid "    " and resid 50   and name HE1 ))
   (( segid "    " and resid 50   and name HG2 ))
      2.300     2.300     3.700 peak  4077 spectrum    1 weight  0.10000E+01 volume  0.24461E-02 ppm1      2.891 ppm2      1.394 CV     1
 OR { 4077}
   (( segid "    " and resid 50   and name HE1 ))
   (( segid "    " and resid 50   and name HG2 ))
 OR { 4077}
   (( segid "    " and resid 50   and name HE1 ))
   (( segid "    " and resid 50   and name HG1 ))
 OR { 4077}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HG2 ))
 OR { 4077}
   (( segid "    " and resid 26   and name HE1 ))
   (( segid "    " and resid 26   and name HG2 ))
 OR { 4077}
   (( segid "    " and resid 26   and name HE1 ))
   (( segid "    " and resid 26   and name HG1 ))
 OR { 4077}
   (( segid "    " and resid 26   and name HE2 ))
   (( segid "    " and resid 26   and name HG2 ))
 OR { 4077}
   (( segid "    " and resid 26   and name HE2 ))
   (( segid "    " and resid 26   and name HG1 ))
 ASSI { 4090}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 85   and name HN  ))
      4.700     2.800     1.300 peak  4090 spectrum    1 weight  0.10000E+01 volume  0.53849E-03 ppm1      1.323 ppm2      9.073 CV     1
 OR { 4090}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 138  and name HN  ))
 ASSI { 4101}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 44   and name HD22))
      4.500     2.600     1.500 peak  4101 spectrum    1 weight  0.10000E+01 volume  0.71125E-03 ppm1      4.248 ppm2      7.072 CV     1
 OR { 4101}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 44   and name HD22))
 ASSI { 4106}
   (( segid "    " and resid 95   and name HD1 ))
   (( segid "    " and resid 95   and name HG2 ))
      3.600     1.600     1.600 peak  4106 spectrum    1 weight  0.10000E+01 volume  0.12223E-02 ppm1      4.381 ppm2      2.260 CV     1
 ASSI { 4123}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 126  and name HB2 ))
      4.200     2.200     1.800 peak  4123 spectrum    1 weight  0.10000E+01 volume  0.91943E-03 ppm1      3.501 ppm2      2.701 CV     1
 OR { 4123}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 126  and name HB1 ))
 OR { 4123}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 133  and name HB1 ))
 ASSI { 4159}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 84   and name HB1 ))
      2.600     0.800     0.800 peak  4159 spectrum    1 weight  0.10000E+01 volume  0.23430E-02 ppm1      0.434 ppm2      1.729 CV     1
 OR { 4159}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 61   and name HB  ))
 ASSI { 4161}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 20   and name HB2 ))
      3.800     1.800     1.400 peak  4161 spectrum    1 weight  0.10000E+01 volume  0.18255E-02 ppm1      0.433 ppm2      2.640 CV     1
 OR { 4161}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 4162}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 83   and name HA  ))
      5.300     3.500     0.700 peak  4162 spectrum    1 weight  0.10000E+01 volume  0.48672E-03 ppm1      0.434 ppm2      4.428 CV     1
 ASSI { 4167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 79   and name HA  ))
      4.300     2.300     1.700 peak  4167 spectrum    1 weight  0.10000E+01 volume  0.41285E-03 ppm1      0.437 ppm2      4.912 CV     1
 OR { 4167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 142  and name HA  ))
 OR { 4167}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 92   and name HA  ))
 ASSI { 4168}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 20   and name HA  ))
      3.700     1.700     1.700 peak  4168 spectrum    1 weight  0.10000E+01 volume  0.46702E-03 ppm1      0.436 ppm2      4.744 CV     1
 OR { 4168}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 78   and name HA  ))
 OR { 4168}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 126  and name HA  ))
 ASSI { 4171}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 20   and name HN  ))
      3.700     3.700     2.300 peak  4171 spectrum    1 weight  0.10000E+01 volume  0.44058E-03 ppm1      0.434 ppm2      9.304 CV     1
 OR { 4171}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 139  and name HN  ))
 OR { 4171}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 105  and name HN  ))
 ASSI { 4172}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 85   and name HN  ))
      4.400     2.400     1.600 peak  4172 spectrum    1 weight  0.10000E+01 volume  0.66690E-03 ppm1      0.435 ppm2      9.067 CV     1
 OR { 4172}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 138  and name HN  ))
 ASSI { 4173}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 84   and name HN  ))
      3.800     1.800     1.800 peak  4173 spectrum    1 weight  0.10000E+01 volume  0.11709E-02 ppm1      1.335 ppm2      8.306 CV     1
 OR { 4173}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 109  and name HN  ))
 OR { 4173}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 84   and name HN  ))
 ASSI { 4174}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HN  ))
      3.800     1.800     1.800 peak  4174 spectrum    1 weight  0.10000E+01 volume  0.84274E-03 ppm1      1.338 ppm2      8.889 CV     1
 OR { 4174}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 42   and name HN  ))
 OR { 4174}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 42   and name HN  ))
 ASSI { 4175}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HA  ))
      3.200     1.300     1.300 peak  4175 spectrum    1 weight  0.10000E+01 volume  0.73076E-03 ppm1      1.337 ppm2      5.038 CV     1
 OR { 4175}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 4179}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 86   and name HB2 ))
      3.000     1.100     1.100 peak  4179 spectrum    1 weight  0.10000E+01 volume  0.38938E-02 ppm1      0.643 ppm2      1.300 CV     1
 OR { 4179}
   (  segid "    " and resid 73   and name HD1%)
   (  segid "    " and resid 47   and name HB% )
 ASSI { 4180}
   (( segid "    " and resid 39   and name HG1 ))
   (( segid "    " and resid 40   and name HA  ))
      4.400     2.400     1.600 peak  4180 spectrum    1 weight  0.10000E+01 volume  0.57375E-03 ppm1      1.274 ppm2      4.569 CV     1
 OR { 4180}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 4555}
   (( segid "    " and resid 39   and name HG1 ))
   (( segid "    " and resid 36   and name HB1  ))
      4.400     2.400     1.600 peak  4555 spectrum    1 weight  0.10000E+01 volume  0.57375E-03 ppm1      1.274 ppm2      4.569 CV     1
 OR { 4555}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 4189}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
      2.800     1.000     1.000 peak  4189 spectrum    1 weight  0.10000E+01 volume  0.15647E-02 ppm1      3.102 ppm2      4.303 CV     1
 OR { 4189}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
 OR { 4189}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI { 4191}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      3.600     1.600     1.600 peak  4191 spectrum    1 weight  0.10000E+01 volume  0.58999E-03 ppm1      3.994 ppm2      4.298 CV     1
 OR { 4191}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 4193}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 47   and name HB% )
      3.700     1.700     1.700 peak  4193 spectrum    1 weight  0.10000E+01 volume  0.74503E-03 ppm1      3.989 ppm2      1.230 CV     1
 OR { 4193}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR { 4193}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 75   and name HG1 ))
 OR { 4193}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 4210}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 25   and name HD1%)
      3.200     1.300     1.300 peak  4210 spectrum    1 weight  0.10000E+01 volume  0.14102E-02 ppm1      1.624 ppm2     -0.008 CV     1
 OR { 4210}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI { 4213}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
      4.400     2.500     1.600 peak  4213 spectrum    1 weight  0.10000E+01 volume  0.90121E-03 ppm1     -0.015 ppm2      8.571 CV     1
 OR { 4213}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 4214}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 86   and name HN  ))
      4.300     2.300     1.700 peak  4214 spectrum    1 weight  0.10000E+01 volume  0.10300E-02 ppm1     -0.019 ppm2      8.505 CV     1
 OR { 4214}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 45   and name HN  ))
 OR { 4214}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
 OR { 4214}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 3    and name HN  ))
 ASSI { 4215}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 23   and name HN  ))
      5.800     4.200     0.200 peak  4215 spectrum    1 weight  0.10000E+01 volume  0.33091E-03 ppm1     -0.016 ppm2      8.864 CV     1
 OR { 4215}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 77   and name HN  ))
 OR { 4215}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 136  and name HN  ))
 ASSI { 4217}
   (( segid "    " and resid 41   and name HG12))
   (  segid "    " and resid 41   and name HD1%)
      2.500     0.800     0.800 peak  4217 spectrum    1 weight  0.10000E+01 volume  0.26188E-02 ppm1      1.407 ppm2      0.619 CV     1
 OR { 4217}
   (( segid "    " and resid 41   and name HG11))
   (  segid "    " and resid 41   and name HD1%)
 OR { 4217}
   (( segid "    " and resid 33   and name HG11))
   (  segid "    " and resid 41   and name HD1%)
 OR { 4217}
   (( segid "    " and resid 33   and name HG12))
   (  segid "    " and resid 41   and name HD1%)
 OR { 4217}
   (( segid "    " and resid 41   and name HG12))
   (  segid "    " and resid 43   and name HD2%)
 OR { 4217}
   (( segid "    " and resid 41   and name HG11))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 4223}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.500     1.500 peak  4223 spectrum    1 weight  0.10000E+01 volume  0.43514E-03 ppm1      1.395 ppm2      9.349 CV     1
 OR { 4223}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 33   and name HN  ))
 OR { 4223}
   (( segid "    " and resid 41   and name HG11))
   (( segid "    " and resid 33   and name HN  ))
 OR { 4223}
   (( segid "    " and resid 41   and name HG12))
   (( segid "    " and resid 33   and name HN  ))
 OR { 4223}
   (( segid "    " and resid 41   and name HG12))
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 4227}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 32   and name HA  ))
      4.500     2.600     1.500 peak  4227 spectrum    1 weight  0.10000E+01 volume  0.44899E-03 ppm1      1.398 ppm2      5.485 CV     1
 OR { 4227}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 34   and name HA  ))
 OR { 4227}
   (( segid "    " and resid 41   and name HG11))
   (( segid "    " and resid 34   and name HA  ))
 OR { 4227}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 32   and name HA  ))
 OR { 4227}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 34   and name HA  ))
 OR { 4227}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 42   and name HA  ))
 OR { 4227}
   (( segid "    " and resid 41   and name HG12))
   (( segid "    " and resid 42   and name HA  ))
 OR { 4227}
   (( segid "    " and resid 41   and name HG11))
   (( segid "    " and resid 32   and name HA  ))
 OR { 4227}
   (( segid "    " and resid 41   and name HG12))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 4229}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 32   and name HN  ))
      3.400     1.500     1.500 peak  4229 spectrum    1 weight  0.10000E+01 volume  0.90608E-03 ppm1      0.962 ppm2      8.721 CV     1
 OR { 4229}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 121  and name HN  ))
 ASSI { 4232}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name HN  ))
      4.000     2.200     1.600 peak  4232 spectrum    1 weight  0.10000E+01 volume  0.82825E-03 ppm1      3.043 ppm2      8.155 CV     1
 OR { 4232}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
 OR { 4232}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 4235}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      4.200     2.400     1.600 peak  4235 spectrum    1 weight  0.10000E+01 volume  0.18011E-02 ppm1      3.957 ppm2      4.780 CV     1
 OR { 4235}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
 OR { 4235}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
 OR { 4235}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 4237}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      3.300     1.500     1.000 peak  4237 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      3.963 ppm2      8.156 CV     1
 OR { 4237}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
 OR { 4237}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 4238}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 50   and name HA  ))
      2.800     1.000     1.000 peak  4238 spectrum    1 weight  0.10000E+01 volume  0.28392E-02 ppm1      1.763 ppm2      4.475 CV     1
 ASSI { 4239}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
      2.700     0.900     0.900 peak  4239 spectrum    1 weight  0.10000E+01 volume  0.25011E-02 ppm1      1.686 ppm2      4.469 CV     1
 ASSI { 4241}
   (  segid "    " and resid 41   and name HG2%)
   (  segid "    " and resid 59   and name HG2%)
      3.900     1.900     1.900 peak  4241 spectrum    1 weight  0.10000E+01 volume  0.35160E-02 ppm1      0.866 ppm2      1.162 CV     1
 OR { 4241}
   (  segid "    " and resid 41   and name HG2%)
   (  segid "    " and resid 62   and name HG2%)
 ASSI { 4242}
   (( segid "    " and resid 41   and name HG11))
   (( segid "    " and resid 41   and name HN  ))
      3.300     1.300     1.300 peak  4242 spectrum    1 weight  0.10000E+01 volume  0.78569E-03 ppm1      1.396 ppm2      9.091 CV     1
 OR { 4242}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 41   and name HN  ))
 OR { 4242}
   (( segid "    " and resid 41   and name HG12))
   (( segid "    " and resid 41   and name HN  ))
 OR { 4242}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 89   and name HN  ))
 OR { 4242}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 4255}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak  4255 spectrum    1 weight  0.10000E+01 volume  0.68033E-03 ppm1      2.348 ppm2      4.251 CV     1
 OR { 4255}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 4260}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      4.600     2.700     1.400 peak  4260 spectrum    1 weight  0.10000E+01 volume  0.51068E-03 ppm1      2.329 ppm2      8.477 CV     1
 OR { 4260}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
 OR { 4260}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 4267}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 106  and name HD% )
      4.800     2.900     1.200 peak  4267 spectrum    1 weight  0.10000E+01 volume  0.62415E-03 ppm1      3.740 ppm2      6.703 CV     1
 OR { 4267}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 88   and name HE% )
 ASSI { 4271}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 26   and name HA  ))
      4.300     2.300     1.700 peak  4271 spectrum    1 weight  0.10000E+01 volume  0.78550E-03 ppm1      1.548 ppm2      4.302 CV     1
 OR { 4271}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 46   and name HA  ))
 OR { 4271}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 4272}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 26   and name HN  ))
      4.600     2.700     1.400 peak  4272 spectrum    1 weight  0.10000E+01 volume  0.41867E-03 ppm1      1.558 ppm2      7.587 CV     1
 OR { 4272}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 44   and name HD21))
 ASSI { 4275}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      4.800     2.800     1.200 peak  4275 spectrum    1 weight  0.10000E+01 volume  0.10119E-02 ppm1      0.639 ppm2      8.265 CV     1
 OR { 4275}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
 OR { 4275}
   (  segid "    " and resid 11   and name HG1%)
   (( segid "    " and resid 13   and name HN  ))
 OR { 4275}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
 OR { 4275}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 4276}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 31   and name HN  ))
      3.000     3.000     3.000 peak  4276 spectrum    1 weight  0.10000E+01 volume  0.15074E-02 ppm1      0.636 ppm2      9.222 CV     1
 OR { 4276}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 88   and name HN  ))
 ASSI { 4278}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HB  ))
      2.100     0.600     0.600 peak  4278 spectrum    1 weight  0.10000E+01 volume  0.62867E-02 ppm1      0.644 ppm2      1.555 CV     1
 OR { 4278}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 4279}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 45   and name HG1%)
      2.800     1.000     0.600 peak  4279 spectrum    1 weight  0.10000E+01 volume  0.11580E-01 ppm1      0.644 ppm2      0.543 CV     1
 OR { 4279}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 86   and name HD1%)
 OR { 4279}
   (  segid "    " and resid 86   and name HD2%)
   (  segid "    " and resid 86   and name HB1 )
 ASSI { 4286}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 61   and name HA  ))
      3.700     1.700     1.700 peak  4286 spectrum    1 weight  0.10000E+01 volume  0.42807E-03 ppm1      1.683 ppm2      4.949 CV     1
 OR { 4286}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI { 4294}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 130  and name HN  ))
      5.000     3.200     1.000 peak  4294 spectrum    1 weight  0.10000E+01 volume  0.56972E-03 ppm1      0.323 ppm2      7.770 CV     1
 OR { 4294}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 132  and name HN  ))
 OR { 4294}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 102  and name HE1 ))
 OR { 4294}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 130  and name HN  ))
 ASSI { 4295}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 61   and name HN  ))
      4.700     2.700     1.300 peak  4295 spectrum    1 weight  0.10000E+01 volume  0.37041E-03 ppm1      0.470 ppm2      9.771 CV     1
 OR { 4295}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 4316}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 101  and name HN  ))
      4.000     2.200     2.000 peak  4316 spectrum    1 weight  0.10000E+01 volume  0.98044E-03 ppm1      2.003 ppm2      8.440 CV     1
 OR { 4316}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 80   and name HN  ))
 OR { 4316}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
 OR { 4316}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 98   and name HN  ))
 OR { 4316}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 4317}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 13   and name HB1 ))
      4.500     2.500     1.500 peak  4317 spectrum    1 weight  0.10000E+01 volume  0.94537E-03 ppm1      0.861 ppm2      3.178 CV     1
 OR { 4317}
   (  segid "    " and resid 109  and name HG2%)
   (( segid "    " and resid 110  and name HB1 ))
 ASSI { 4318}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 85   and name HE2 ))
      2.800     1.000     1.000 peak  4318 spectrum    1 weight  0.10000E+01 volume  0.40159E-02 ppm1      0.861 ppm2      2.766 CV     1
 OR { 4318}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 85   and name HE2 ))
 OR { 4318}
   (  segid "    " and resid 109  and name HG2%)
   (( segid "    " and resid 110  and name HB2 ))
 ASSI { 4321}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 20   and name HA  ))
      3.700     1.700     1.700 peak  4321 spectrum    1 weight  0.10000E+01 volume  0.52187E-03 ppm1      0.170 ppm2      4.741 CV     1
 OR { 4321}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 4325}
   (( segid "    " and resid 98   and name HD1%))
   (( segid "    " and resid 96   and name HA  ))
      4.000     2.200     1.000 peak  4325 spectrum    1 weight  0.10000E+01 volume  0.50041E-03 ppm1      0.872 ppm2      4.076 CV     1
  ASSI { 4328}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 108  and name HA  ))
      3.600     1.600     1.600 peak  4328 spectrum    1 weight  0.10000E+01 volume  0.49353E-03 ppm1      2.419 ppm2      5.484 CV     1
 OR { 4328}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 137  and name HA  ))
 ASSI { 4337}
   (( segid "    " and resid 132  and name HA  ))
   (  segid "    " and resid 133  and name HD% )
      4.000     2.200     2.000 peak  4337 spectrum    1 weight  0.10000E+01 volume  0.90973E-03 ppm1      5.221 ppm2      6.917 CV     1
 OR { 4337}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 136  and name HD1 ))
 ASSI { 4343}
   (  segid "    " and resid 138  and name HG2%)
   (( segid "    " and resid 141  and name HA  ))
      3.900     1.900     1.900 peak  4343 spectrum    1 weight  0.10000E+01 volume  0.13648E-02 ppm1      1.103 ppm2      4.547 CV     1
 OR { 4343}
   (  segid "    " and resid 138  and name HG2%)
   (( segid "    " and resid 139  and name HA  ))
 ASSI { 4346}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
      3.900     1.900     1.900 peak  4346 spectrum    1 weight  0.10000E+01 volume  0.14589E-02 ppm1      0.924 ppm2      4.796 CV     1
 ASSI { 4347}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 136  and name HD1 ))
      4.500     2.600     1.500 peak  4347 spectrum    1 weight  0.10000E+01 volume  0.70958E-03 ppm1      0.924 ppm2      6.929 CV     1
 OR { 4347}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 4    and name HD22))
 OR { 4347}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 136  and name HD1 ))
 OR { 4347}
   (  segid "    " and resid 121  and name HG1%)
   (  segid "    " and resid 133  and name HD% )
 ASSI { 4351}
   (  segid "    " and resid 140  and name HD1%)
   (( segid "    " and resid 140  and name HB1 ))
      2.900     1.000     1.000 peak  4351 spectrum    1 weight  0.10000E+01 volume  0.45001E-02 ppm1      0.862 ppm2      1.475 CV     1
 OR { 4351}
   (  segid "    " and resid 140  and name HD1%)
   (( segid "    " and resid 140  and name HB2 ))
 OR { 4351}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 85   and name HD1 ))
 OR { 4351}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 85   and name HD2 ))
 OR { 4351}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 85   and name HD1 ))
 OR { 4351}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 85   and name HD2 ))
 ASSI { 4353}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 43   and name HA  ))
      5.000     3.200     1.000 peak  4353 spectrum    1 weight  0.10000E+01 volume  0.48391E-03 ppm1      0.954 ppm2      5.864 CV     1
 OR { 4353}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 104  and name HA  ))
 ASSI { 4354}
   (  segid "    " and resid 11   and name HG1%)
   (( segid "    " and resid 20   and name HB2 ))
      3.300     1.500     2.700 peak  4354 spectrum    1 weight  0.11000E+01 volume  0.72494E-03 ppm1      0.682 ppm2      2.721 CV     1
 OR { 4354}
   (  segid "    " and resid 123  and name HD1%)
   (( segid "    " and resid 133  and name HB2 ))
 ASSI { 4364}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.800     1.000     1.000 peak  4364 spectrum    1 weight  0.10000E+01 volume  0.38710E-02 ppm1      2.123 ppm2      4.339 CV     1
 OR { 4364}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 4380}
   (( segid "    " and resid 95   and name HG1 ))
   (( segid "    " and resid 95   and name HD1 ))
      3.300     1.500     1.000 peak  4380 spectrum    1 weight  0.10000E+01 volume  0.21664E-02 ppm1      2.147 ppm2      4.395 CV     1
 OR { 4380}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
 OR { 4380}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 4381}
   (( segid "    " and resid 128  and name HB1 ))
   (  segid "    " and resid 96   and name HG2%)
      5.200     3.300     0.800 peak  4381 spectrum    1 weight  0.10000E+01 volume  0.51669E-03 ppm1      2.249 ppm2      1.261 CV     1
 OR { 4381}
   (( segid "    " and resid 95   and name HG2 ))
   (  segid "    " and resid 96   and name HG2%)
 ASSI { 4393}
   (( segid "    " and resid 14   and name HG1 ))
   (  segid "    " and resid 79   and name HD% )
      4.500     2.600     1.500 peak  4393 spectrum    1 weight  0.10000E+01 volume  0.57306E-03 ppm1      2.149 ppm2      6.785 CV     1
 OR { 4393}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 79   and name HD% )
 OR { 4393}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
 OR { 4393}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 16   and name HN  ))
 OR { 4393}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 20   and name HE% )
 ASSI { 4396}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HB1 ))
      2.200     0.600     0.600 peak  4396 spectrum    1 weight  0.10000E+01 volume  0.81547E-02 ppm1      2.158 ppm2      2.382 CV     1
 OR { 4396}
   (( segid "    " and resid 95   and name HG1 ))
   (( segid "    " and resid 95   and name HB1 ))
 OR { 4396}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI { 4422}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.800     1.000     1.000 peak  4422 spectrum    1 weight  0.10000E+01 volume  0.47961E-02 ppm1      1.698 ppm2      2.100 CV     1
 OR { 4422}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 6    and name HB2 ))
 OR { 4422}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 75   and name HB2 ))
 OR { 4422}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 75   and name HB2 ))
 OR { 4422}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 48   and name HG1 ))
 ASSI { 4433}
   (( segid "    " and resid 120  and name HG1 ))
   (( segid "    " and resid 119  and name HE21))
      4.000     2.200     1.000 peak  4433 spectrum    1 weight  0.10000E+01 volume  0.58562E-03 ppm1      1.619 ppm2      6.840 CV     1
 OR { 4433}
   (( segid "    " and resid 10   and name HG1 ))
   (  segid "    " and resid 10   and name HE  )
 ASSI { 4435}
   (( segid "    " and resid 10   and name HG1 ))
   (( segid "    " and resid 10   and name HA  ))
      4.000     2.200     1.000 peak  4435 spectrum    1 weight  0.10000E+01 volume  0.36790E-03 ppm1      1.623 ppm2      5.356 CV     1
 OR { 4435}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 88   and name HA  ))
 ASSI { 4456}
   (( segid "    " and resid 85   and name HD1 ))
   (  segid "    " and resid 105  and name HD% )
      4.200     2.200     1.800 peak  4456 spectrum    1 weight  0.10000E+01 volume  0.34142E-03 ppm1      1.465 ppm2      6.958 CV     1
 OR { 4456}
   (( segid "    " and resid 85   and name HD2 ))
   (  segid "    " and resid 105  and name HD% )
 OR { 4456}
   (( segid "    " and resid 85   and name HD1 ))
   (  segid "    " and resid 133  and name HD% )
 ASSI { 4458}
   (( segid "    " and resid 85   and name HD2 ))
   (  segid "    " and resid 105  and name HE% )
      4.100     2.100     1.900 peak  4458 spectrum    1 weight  0.10000E+01 volume  0.46747E-03 ppm1      1.462 ppm2      6.737 CV     1
 OR { 4458}
   (( segid "    " and resid 85   and name HD1 ))
   (  segid "    " and resid 105  and name HE% )
 OR { 4458}
   (( segid "    " and resid 85   and name HD1 ))
   (  segid "    " and resid 108  and name HD% )
 OR { 4458}
   (( segid "    " and resid 85   and name HD2 ))
   (  segid "    " and resid 108  and name HD% )
 ASSI { 4462}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 55   and name HD21))
      5.300     3.500     0.700 peak  4462 spectrum    1 weight  0.10000E+01 volume  0.42655E-03 ppm1      1.800 ppm2      6.961 CV     1
 OR { 4462}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 4465}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 143  and name HA  ))
      4.400     2.400     1.600 peak  4465 spectrum    1 weight  0.10000E+01 volume  0.77903E-03 ppm1      2.004 ppm2      3.642 CV     1
 OR { 4465}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 147  and name HD2 ))
 OR { 4465}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 147  and name HD2 ))
 ASSI { 4466}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 56   and name HA1 ))
      4.500     2.500     1.500 peak  4466 spectrum    1 weight  0.10000E+01 volume  0.70916E-03 ppm1      1.892 ppm2      3.644 CV     1
 ASSI { 4468}
   (  segid "    " and resid 129  and name HG2%)
   (( segid "    " and resid 128  and name HG2 ))
      3.200     1.300     1.300 peak  4468 spectrum    1 weight  0.10000E+01 volume  0.20949E-02 ppm1      1.082 ppm2      2.408 CV     1
 OR { 4468}
   (  segid "    " and resid 129  and name HG2%)
   (( segid "    " and resid 130  and name HB2 ))
 ASSI { 4471}
   (  segid "    " and resid 129  and name HG2%)
   (( segid "    " and resid 126  and name HB2 ))
      3.900     1.900     1.700 peak  4471 spectrum    1 weight  0.10000E+01 volume  0.80212E-03 ppm1      1.088 ppm2      2.711 CV     1
 OR { 4471}
   (  segid "    " and resid 129  and name HG2%)
   (( segid "    " and resid 126  and name HB1 ))
 OR { 4471}
   (  segid "    " and resid 129  and name HG2%)
   (( segid "    " and resid 130  and name HB1 ))
 ASSI { 4475}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 86   and name HN  ))
      3.900     1.900     1.900 peak  4475 spectrum    1 weight  0.10000E+01 volume  0.81562E-03 ppm1      0.490 ppm2      8.496 CV     1
 OR { 4475}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 103  and name HN  ))
 ASSI { 4477}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      5.600     3.900     0.400 peak  4477 spectrum    1 weight  0.10000E+01 volume  0.31752E-03 ppm1      0.611 ppm2      9.345 CV     1
 OR { 4477}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 4481}
   (  segid "    " and resid 67   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      4.000     2.200     2.000 peak  4481 spectrum    1 weight  0.10000E+01 volume  0.73240E-03 ppm1      1.080 ppm2      9.108 CV     1
 ASSI { 4484}
   (  segid "    " and resid 45   and name HG1%)
   (  segid "    " and resid 108  and name HZ  )
      5.000     3.200     1.000 peak  4484 spectrum    1 weight  0.10000E+01 volume  0.68113E-03 ppm1      0.677 ppm2      6.805 CV     1
 OR { 4484}
   (  segid "    " and resid 19   and name HD1%)
   (  segid "    " and resid 10   and name HE  )
 OR { 4484}
   (  segid "    " and resid 45   and name HG1%)
   (  segid "    " and resid 88   and name HE% )
 ASSI { 4485}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 10   and name HD1 ))
      2.800     2.300     3.700 peak  4485 spectrum    1 weight  0.10000E+01 volume  0.34219E-02 ppm1      0.676 ppm2      3.069 CV     1
 OR { 4485}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 20   and name HB1 ))
 OR { 4485}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 21   and name HB1 ))
 ASSI { 4495}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 34   and name HG2%)
      4.300     2.300     1.700 peak  4495 spectrum    1 weight  0.10000E+01 volume  0.81893E-03 ppm1      0.604 ppm2      1.181 CV     1
 OR { 4495}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HG1%))
 ASSI { 4496}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 122  and name HN  ))
      4.400     2.400     1.600 peak  4496 spectrum    1 weight  0.10000E+01 volume  0.69045E-03 ppm1      0.609 ppm2      8.797 CV     1
 OR { 4496}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 133  and name HN  ))
 ASSI { 4499}
   (  segid "    " and resid 43   and name HD1%)
   (  segid "    " and resid 106  and name HE% )
      3.200     1.300     1.300 peak  4499 spectrum    1 weight  0.10000E+01 volume  0.11382E-02 ppm1      0.673 ppm2      6.290 CV     1
 OR { 4499}
   (  segid "    " and resid 123  and name HD2%)
   (  segid "    " and resid 133  and name HE% )
 ASSI { 4507}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 40   and name HE2 ))
      3.500     1.500     1.500 peak  4507 spectrum    1 weight  0.10000E+01 volume  0.20185E-02 ppm1      1.169 ppm2      2.869 CV     1
 OR { 4507}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 40   and name HE1 ))
 OR { 4507}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 122  and name HB2 ))
 ASSI { 4520}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 14   and name HD2 ))
      3.800     1.800     1.800 peak  4520 spectrum    1 weight  0.10000E+01 volume  0.97667E-03 ppm1      1.534 ppm2      3.951 CV     1
 OR { 4520}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 4525}
   (( segid "    " and resid 96   and name HB  ))
   (( segid "    " and resid 97   and name HB1 ))
      5.000     3.5200     1.000 peak  4525 spectrum    1 weight  0.10000E+01 volume  0.47687E-03 ppm1      4.106 ppm2      2.703 CV     1
 OR { 4525}
   (( segid "    " and resid 96   and name HB  ))
   (( segid "    " and resid 130  and name HB1 ))
 ASSI {  571}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.500     1.500 peak   571 spectrum    1 weight  0.10000E+01 volume  0.52449E-03 ppm1      9.110 ppm2      9.350 CV     1
 OR {  571}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI {  573}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      2.900     1.000     1.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.87698E-03 ppm1      9.101 ppm2      1.884 CV     1
 OR {  573}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  574}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      3.100     1.200     1.200 peak   574 spectrum    1 weight  0.10000E+01 volume  0.71699E-03 ppm1      9.093 ppm2      1.828 CV     1
 OR {  574}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
 OR {  574}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
 ASSI {  585}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      4.600     2.600     1.400 peak   585 spectrum    1 weight  0.10000E+01 volume  0.51787E-03 ppm1      9.771 ppm2      1.867 CV     1
 OR {  585}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB  ))
 OR {  585}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  587}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 59   and name HG2%)
      4.300     2.300     1.700 peak   587 spectrum    1 weight  0.10000E+01 volume  0.11564E-02 ppm1      9.762 ppm2      1.166 CV     1
 OR {  587}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
 ASSI {  588}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      4.300     2.300     1.700 peak   588 spectrum    1 weight  0.10000E+01 volume  0.60695E-03 ppm1      9.759 ppm2      1.046 CV     1
 OR {  588}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 67   and name HG2%)
 OR {  588}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 68   and name HG  ))
 ASSI {  850}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB  ))
      2.900     1.000     1.000 peak   850 spectrum    1 weight  0.10000E+01 volume  0.20644E-02 ppm1      6.744 ppm2      4.287 CV     1
 OR {  850}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  850}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  852}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
      4.800     2.900     1.200 peak   852 spectrum    1 weight  0.10000E+01 volume  0.35957E-03 ppm1      6.742 ppm2      3.961 CV     1
 OR {  852}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  864}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 72   and name HG2 ))
      3.900     1.900     2.100 peak   864 spectrum    1 weight  0.10000E+01 volume  0.96640E-03 ppm1      8.534 ppm2      1.693 CV     1
 OR {  864}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
 OR {  864}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
 OR {  864}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
 ASSI {  881}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      4.600     2.700     1.400 peak   881 spectrum    1 weight  0.10000E+01 volume  0.38079E-03 ppm1      7.360 ppm2      2.330 CV     1
 OR {  881}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HG1 ))
 ASSI {  882}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.100     3.100     2.900 peak   882 spectrum    1 weight  0.10000E+01 volume  0.62384E-03 ppm1      7.365 ppm2      2.057 CV     1
 OR {  882}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  882}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 42   and name HG1 ))
 OR {  882}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 42   and name HG2 ))
 ASSI {  883}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      4.000     2.000     2.000 peak   883 spectrum    1 weight  0.10000E+01 volume  0.20834E-02 ppm1      7.364 ppm2      1.898 CV     1
 OR {  883}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {  894}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 48   and name HG1 ))
      3.800     1.800     1.300 peak   894 spectrum    1 weight  0.10000E+01 volume  0.57451E-03 ppm1      8.418 ppm2      2.127 CV     1
 OR {  894}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 48   and name HG2 ))
 OR {  894}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 72   and name HE2 ))
 OR {  894}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 72   and name HE1 ))
 ASSI {  895}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 54   and name HB% )
      3.800     1.800     1.400 peak   895 spectrum    1 weight  0.10000E+01 volume  0.14068E-02 ppm1      8.421 ppm2      1.436 CV     1
 ASSI {  904}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      3.300     1.500     1.000 peak   904 spectrum    1 weight  0.10000E+01 volume  0.19292E-02 ppm1      7.092 ppm2      2.251 CV     1
 OR {  904}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HG2 ))
 ASSI {  913}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 133  and name HB2 ))
      3.100     1.200     1.200 peak   913 spectrum    1 weight  0.10000E+01 volume  0.11976E-02 ppm1      6.537 ppm2      2.625 CV     1
 OR {  913}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 122  and name HB2 ))
 ASSI {  918}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 134  and name HN  ))
      5.700     4.000     0.300 peak   918 spectrum    1 weight  0.10000E+01 volume  0.32877E-03 ppm1      6.540 ppm2      9.092 CV     1
 OR {  918}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 135  and name HN  ))
 ASSI {  922}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      4.500     2.500     1.500 peak   922 spectrum    1 weight  0.10000E+01 volume  0.56021E-03 ppm1      8.574 ppm2      4.717 CV     1
 OR {  922}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
 ASSI {  924}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 111  and name HE2 ))
      5.000     3.100     1.000 peak   924 spectrum    1 weight  0.10000E+01 volume  0.38668E-03 ppm1      8.573 ppm2      2.934 CV     1
 OR {  924}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 111  and name HE1 ))
 OR {  924}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
 ASSI {  933}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 111  and name HG2 ))
      5.300     3.600     0.700 peak   933 spectrum    1 weight  0.10000E+01 volume  0.29535E-03 ppm1      8.578 ppm2      1.457 CV     1
 OR {  933}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 111  and name HG1 ))
 OR {  933}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 140  and name HB2 ))
 ASSI {  938}
   (( segid "    " and resid 44   and name HD22))
   (( segid "    " and resid 26   and name HA  ))
      3.600     1.700     1.700 peak   938 spectrum    1 weight  0.10000E+01 volume  0.53758E-03 ppm1      7.085 ppm2      4.305 CV     1
 OR {  938}
   (( segid "    " and resid 44   and name HD22))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  939}
   (( segid "    " and resid 44   and name HD21))
   (( segid "    " and resid 49   and name HA  ))
      3.800     1.800     1.800 peak   939 spectrum    1 weight  0.10000E+01 volume  0.82015E-03 ppm1      7.598 ppm2      4.253 CV     1
 OR {  939}
   (( segid "    " and resid 44   and name HD21))
   (( segid "    " and resid 47   and name HA  ))
 OR {  939}
   (( segid "    " and resid 44   and name HD21))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  940}
   (( segid "    " and resid 44   and name HD22))
   (( segid "    " and resid 49   and name HA  ))
      4.400     2.400     1.600 peak   940 spectrum    1 weight  0.10000E+01 volume  0.94240E-03 ppm1      7.072 ppm2      4.255 CV     1
 OR {  940}
   (( segid "    " and resid 44   and name HD22))
   (( segid "    " and resid 47   and name HA  ))
 OR {  940}
   (( segid "    " and resid 44   and name HD22))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  946}
   (( segid "    " and resid 44   and name HD22))
   (( segid "    " and resid 45   and name HN  ))
      4.200     2.200     1.800 peak   946 spectrum    1 weight  0.10000E+01 volume  0.72799E-03 ppm1      7.081 ppm2      8.472 CV     1
 OR {  946}
   (( segid "    " and resid 44   and name HD22))
   (( segid "    " and resid 45   and name HN  ))
 OR {  946}
   (( segid "    " and resid 44   and name HD22))
   (( segid "    " and resid 48   and name HN  ))
 ASSI {  949}
   (( segid "    " and resid 44   and name HD21))
   (( segid "    " and resid 45   and name HN  ))
      4.300     2.400     1.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.44077E-03 ppm1      7.604 ppm2      8.482 CV     1
 OR {  949}
   (( segid "    " and resid 44   and name HD21))
   (( segid "    " and resid 45   and name HN  ))
 OR {  949}
   (( segid "    " and resid 44   and name HD21))
   (( segid "    " and resid 48   and name HN  ))
 OR {  949}
   (( segid "    " and resid 44   and name HD21))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  956}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
      2.900     1.100     1.100 peak   956 spectrum    1 weight  0.10000E+01 volume  0.84552E-03 ppm1      8.215 ppm2      1.648 CV     1
 OR {  956}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI {  985}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      4.300     2.300     1.700 peak   985 spectrum    1 weight  0.10000E+01 volume  0.80665E-03 ppm1      7.348 ppm2      2.643 CV     1
 OR {  985}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 OR {  985}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  986}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
      4.300     2.300     1.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.10520E-02 ppm1      7.348 ppm2      1.324 CV     1
 OR {  986}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 OR {  986}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
 ASSI {  987}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 11   and name HG2%)
      4.700     2.700     1.300 peak   987 spectrum    1 weight  0.10000E+01 volume  0.59748E-03 ppm1      7.342 ppm2      1.246 CV     1
 OR {  987}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  987}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 77   and name HB2 )
 ASSI {  995}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 47   and name HA  ))
      3.800     1.800     1.800 peak   995 spectrum    1 weight  0.10000E+01 volume  0.58436E-03 ppm1      7.627 ppm2      4.227 CV     1
 OR {  995}
   (( segid "    " and resid 82   and name HE22))
   (( segid "    " and resid 81   and name HA  ))
 OR {  995}
   (( segid "    " and resid 119  and name HE22))
   (( segid "    " and resid 121  and name HA  ))
 ASSI {  998}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HD1 ))
      5.000     3.200     1.000 peak   998 spectrum    1 weight  0.10000E+01 volume  0.49094E-03 ppm1      7.351 ppm2      3.063 CV     1
 OR {  998}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI {  999}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HD2 ))
      4.800     2.900     1.200 peak   999 spectrum    1 weight  0.10000E+01 volume  0.82167E-03 ppm1      7.347 ppm2      2.949 CV     1
 OR {  999}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 75   and name HE1 ))
 OR {  999}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 75   and name HE2 ))
 ASSI { 1007}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG1 ))
      3.800     1.800     1.800 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.19707E-02 ppm1      7.349 ppm2      1.626 CV     1
 OR { 1007}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
 OR { 1007}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 75   and name HD1 ))
 OR { 1007}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 75   and name HD2 ))
 ASSI { 1008}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG1 ))
      4.000     2.000     2.000 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.13545E-02 ppm1      7.342 ppm2      1.595 CV     1
 OR { 1008}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 75   and name HD1 ))
 OR { 1008}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 75   and name HD2 ))
 ASSI { 1009}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.500     1.500     1.500 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.20656E-02 ppm1      7.349 ppm2      1.542 CV     1
 OR { 1009}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 75   and name HD1 ))
 ASSI { 1010}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG2 ))
      3.800     1.800     1.800 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.15343E-02 ppm1      7.351 ppm2      1.449 CV     1
 ASSI { 1012}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 11   and name HG1%)
      4.500     2.600     1.500 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.91433E-03 ppm1      7.351 ppm2      0.684 CV     1
 OR { 1012}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
 ASSI { 1018}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 38   and name HB1 ))
      5.000     3.100     1.000 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.42388E-03 ppm1      7.618 ppm2      3.135 CV     1
 OR { 1018}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 1020}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 38   and name HA  ))
      4.900     3.000     1.100 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.57873E-03 ppm1      7.593 ppm2      4.366 CV     1
 OR { 1020}
   (( segid "    " and resid 4    and name HD21))
   (( segid "    " and resid 6    and name HA  ))
 OR { 1020}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 1022}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 38   and name HA  ))
      4.400     2.500     1.600 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.73788E-03 ppm1      6.837 ppm2      4.357 CV     1
 OR { 1022}
   (( segid "    " and resid 6    and name HE22))
   (( segid "    " and resid 6    and name HA  ))
 OR { 1022}
   (( segid "    " and resid 119  and name HE21))
   (( segid "    " and resid 119  and name HA  ))
 ASSI { 1029}
   (( segid "    " and resid 4    and name HD21))
   (( segid "    " and resid 4    and name HA  ))
      4.400     2.500     1.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.69086E-03 ppm1      7.623 ppm2      4.793 CV     1
 OR { 1029}
   (( segid "    " and resid 7    and name HD21))
   (( segid "    " and resid 7    and name HA  ))
 OR { 1029}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 63   and name HA  ))
 OR { 1029}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 37   and name HA  ))
 ASSI { 1036}
   (( segid "    " and resid 4    and name HD22))
   (  segid "    " and resid 47   and name HB% )
      4.400     2.400     1.600 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.89330E-03 ppm1      6.942 ppm2      1.240 CV     1
 OR { 1036}
   (( segid "    " and resid 4    and name HD22))
   (  segid "    " and resid 23   and name HG2%)
 OR { 1036}
   (( segid "    " and resid 4    and name HD22))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 1042}
   (( segid "    " and resid 6    and name HE21))
   (  segid "    " and resid 47   and name HB% )
      3.400     1.500     1.500 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.95404E-03 ppm1      7.676 ppm2      1.259 CV     1
 OR { 1042}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 75   and name HG1 ))
 ASSI { 1044}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 6    and name HB2 ))
      4.000     2.000     2.000 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.13688E-02 ppm1      7.672 ppm2      2.115 CV     1
 OR { 1044}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 75   and name HB2 ))
 OR { 1044}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 48   and name HG1 ))
 ASSI { 1046}
   (( segid "    " and resid 4    and name HD21))
   (( segid "    " and resid 4    and name HB1 ))
      2.500     0.800     0.800 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.60247E-02 ppm1      7.599 ppm2      2.845 CV     1
 OR { 1046}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI { 1048}
   (( segid "    " and resid 6    and name HE21))
   (  segid "    " and resid 47   and name HB% )
      3.400     1.500     1.500 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.10873E-02 ppm1      7.633 ppm2      1.248 CV     1
 OR { 1048}
   (( segid "    " and resid 4    and name HD21))
   (  segid "    " and resid 47   and name HB% )
 OR { 1048}
   (( segid "    " and resid 4    and name HD21))
   (  segid "    " and resid 23   and name HG2%)
 OR { 1048}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 75   and name HG1 ))
 OR { 1048}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 39   and name HG1 ))
 OR { 1048}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 39   and name HG2 ))
 ASSI { 1051}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 122  and name HD% )
      4.000     2.000     2.000 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.59893E-03 ppm1      8.150 ppm2      6.637 CV     1
 OR { 1051}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 122  and name HZ  ))
 OR { 1051}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 134  and name HD% )
 ASSI { 1056}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB  ))
      2.800     1.000     1.000 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.12446E-02 ppm1      6.898 ppm2      1.885 CV     1
 OR { 1056}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 1064}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.000     1.200     1.200 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.27790E-02 ppm1      9.108 ppm2      3.976 CV     1
 OR { 1064}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 1083}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.600     1.700     1.700 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.15379E-02 ppm1      9.102 ppm2      8.167 CV     1
 OR { 1083}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1092}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 59   and name HG2%)
      2.700     0.900     0.900 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.29625E-02 ppm1      6.899 ppm2      1.190 CV     1
 OR { 1092}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
 OR { 1092}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI { 1093}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 71   and name HA2 ))
      3.800     1.800     1.800 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.15842E-02 ppm1      6.900 ppm2      4.038 CV     1
 OR { 1093}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI { 1097}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      3.500     1.600     1.600 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.37259E-02 ppm1      8.709 ppm2      0.518 CV     1
 OR { 1097}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
 OR { 1097}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1098}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      3.900     1.900     1.900 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.10572E-02 ppm1      8.720 ppm2      1.635 CV     1
 OR { 1098}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
 OR { 1098}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
 ASSI { 1099}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.700     0.900     0.900 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.36087E-02 ppm1      8.710 ppm2      1.334 CV     1
 OR { 1099}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
 OR { 1099}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
 OR { 1099}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 84   and name HG  ))
 ASSI { 1100}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      2.900     1.100     1.100 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.37843E-02 ppm1      8.709 ppm2      1.178 CV     1
 OR { 1100}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 1101}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
      3.700     1.700     1.700 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.13042E-02 ppm1      8.324 ppm2      1.410 CV     1
 OR { 1101}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HG12))
 OR { 1101}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 41   and name HG11))
 ASSI { 1105}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.600     0.900     0.900 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.30207E-02 ppm1      8.321 ppm2      2.849 CV     1
 ASSI { 1108}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
      3.200     1.300     1.300 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.42259E-02 ppm1      7.271 ppm2      0.642 CV     1
 OR { 1108}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
 OR { 1108}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 86   and name HD2%)
 ASSI { 1110}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
      5.300     3.500     0.700 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.67626E-03 ppm1      8.588 ppm2     -0.010 CV     1
 OR { 1110}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 1117}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      5.000     3.200     1.000 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.41932E-03 ppm1      8.591 ppm2      1.645 CV     1
 OR { 1117}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 26   and name HD1 ))
 OR { 1117}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 26   and name HD2 ))
 ASSI { 1123}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.500     0.800     0.800 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.36552E-02 ppm1      7.272 ppm2      4.226 CV     1
 OR { 1123}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 1124}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.300     1.400     1.400 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.11588E-02 ppm1      7.276 ppm2      3.738 CV     1
 OR { 1124}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 1125}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      3.600     1.700     1.700 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.85705E-03 ppm1      7.267 ppm2      3.067 CV     1
 OR { 1125}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
 ASSI { 1133}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
      3.700     1.700     1.700 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.20848E-02 ppm1      8.288 ppm2      0.650 CV     1
 OR { 1133}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 86   and name HD2%)
 OR { 1133}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI { 1134}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HG1%)
      3.100     1.200     1.200 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.10141E-02 ppm1      8.292 ppm2      0.545 CV     1
 OR { 1134}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI { 1158}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      4.300     2.300     1.700 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.86678E-03 ppm1      6.918 ppm2      1.182 CV     1
 OR { 1158}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HG2 ))
 OR { 1158}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 59   and name HG2%)
 OR { 1158}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HG1 ))
 ASSI { 1159}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
      3.100     1.200     1.200 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.20279E-02 ppm1      6.931 ppm2      0.650 CV     1
 OR { 1159}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 86   and name HD2%)
 OR { 1159}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
 ASSI { 1173}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      4.500     2.500     1.500 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.91707E-03 ppm1      8.463 ppm2      4.300 CV     1
 OR { 1173}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 1184}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 140  and name HB1 ))
      4.700     2.800     1.300 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.27972E-03 ppm1      8.860 ppm2      1.466 CV     1
 OR { 1184}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 140  and name HB2 ))
 OR { 1184}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 26   and name HG2 ))
 ASSI { 1186}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 140  and name HG  ))
      4.200     2.200     1.800 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.50456E-03 ppm1      8.861 ppm2      1.205 CV     1
 OR { 1186}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 OR { 1186}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 1193}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.200     3.200     2.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.77044E-03 ppm1      8.464 ppm2      1.360 CV     1
 OR { 1193}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 72   and name HG1 ))
 ASSI { 1195}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      4.900     3.000     1.100 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.55560E-03 ppm1      8.458 ppm2      1.166 CV     1
 OR { 1195}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 75   and name HG2 ))
 ASSI { 1199}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
      5.200     3.400     0.800 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.65758E-03 ppm1      8.864 ppm2     -0.004 CV     1
 OR { 1199}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 1202}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 126  and name HB2 ))
      4.500     2.500     1.500 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.51494E-03 ppm1      8.167 ppm2      2.700 CV     1
 OR { 1202}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 126  and name HB1 ))
 ASSI { 1203}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
      2.800     1.000     1.000 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.57531E-02 ppm1      8.167 ppm2      2.418 CV     1
 OR { 1203}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
 OR { 1203}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HG1 ))
 ASSI { 1222}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      3.300     1.300     1.300 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.83540E-03 ppm1      7.755 ppm2      7.049 CV     1
 ASSI { 1236}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      4.800     2.900     1.200 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.63567E-03 ppm1      7.682 ppm2      0.866 CV     1
 OR { 1236}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
 OR { 1236}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI { 1242}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.600     0.900     0.900 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.22524E-02 ppm1      7.750 ppm2      1.180 CV     1
 OR { 1242}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 59   and name HG2%)
 ASSI { 1244}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
      4.700     2.800     1.300 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.55241E-03 ppm1      7.745 ppm2      0.646 CV     1
 OR { 1244}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
 ASSI { 1268}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 141  and name HA  ))
      3.000     1.200     1.200 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.21646E-02 ppm1      7.531 ppm2      4.552 CV     1
 OR { 1268}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 139  and name HA  ))
 ASSI { 1270}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 140  and name HA  ))
      3.500     1.600     1.600 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.11621E-02 ppm1      7.524 ppm2      4.243 CV     1
 OR { 1270}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
 ASSI { 1271}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 141  and name HA  ))
      2.800     1.000     1.000 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.21493E-02 ppm1      7.115 ppm2      4.552 CV     1
 OR { 1271}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 139  and name HA  ))
 ASSI { 1273}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HB2 ))
      2.900     1.000     1.000 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.38919E-02 ppm1      7.531 ppm2      3.124 CV     1
 OR { 1273}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 110  and name HB1 ))
 ASSI { 1277}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.800     1.000     1.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.22005E-02 ppm1      8.119 ppm2      1.872 CV     1
 OR { 1277}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 59   and name HB  ))
 ASSI { 1279}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.100     1.200     1.200 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.14025E-02 ppm1      8.117 ppm2      1.739 CV     1
 OR { 1279}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
 ASSI { 1281}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 59   and name HG2%)
      4.200     2.200     1.800 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.77013E-03 ppm1      8.116 ppm2      1.161 CV     1
 OR { 1281}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI { 1283}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
      3.900     1.900     1.900 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.17953E-02 ppm1      8.123 ppm2      0.666 CV     1
 OR { 1283}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
 OR { 1283}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 1283}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI { 1304}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      4.300     2.300     1.700 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.65964E-03 ppm1      6.660 ppm2      2.117 CV     1
 OR { 1304}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 100  and name HE% )
 OR { 1304}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
 ASSI { 1330}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      3.800     1.800     1.200 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.25267E-02 ppm1      8.238 ppm2      1.729 CV     1
 OR { 1330}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HB1 ))
 OR { 1330}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HD1 ))
 OR { 1330}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HD2 ))
 ASSI { 1334}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HG1 ))
      3.800     1.800     1.800 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.86515E-03 ppm1      8.239 ppm2      2.538 CV     1
 ASSI { 1355}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.200     2.200     1.800 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.12563E-02 ppm1      7.761 ppm2      2.388 CV     1
 OR { 1355}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI { 1360}
   (( segid "    " and resid 13   and name HD22))
   (( segid "    " and resid 13   and name HB2 ))
      4.100     2.100     1.900 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.78405E-03 ppm1      9.455 ppm2      2.315 CV     1
 OR { 1360}
   (( segid "    " and resid 13   and name HD22))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI { 1367}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.000     1.100     1.100 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.19854E-02 ppm1      8.501 ppm2      4.786 CV     1
 OR { 1367}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 1380}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      4.500     2.500     1.500 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.63077E-03 ppm1      8.052 ppm2      1.650 CV     1
 OR { 1380}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
 ASSI { 1381}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      3.200     1.300     1.300 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.27303E-02 ppm1      8.059 ppm2      1.230 CV     1
 OR { 1381}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HG1 ))
 ASSI { 1388}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      2.900     1.000     1.000 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.18232E-02 ppm1      7.069 ppm2      8.459 CV     1
 OR { 1388}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI { 1389}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      2.800     0.900     0.900 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.30848E-02 ppm1      7.069 ppm2      4.490 CV     1
 ASSI { 1408}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.000     1.100     1.100 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.21490E-02 ppm1      8.396 ppm2      1.727 CV     1
 OR { 1408}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI { 1410}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG1 ))
      3.600     1.700     1.700 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.22369E-02 ppm1      8.401 ppm2      1.280 CV     1
 OR { 1410}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG2 ))
 OR { 1410}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
 OR { 1410}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HG1 ))
 ASSI { 1413}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      3.500     1.500     1.500 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.98884E-03 ppm1      8.399 ppm2      3.130 CV     1
 OR { 1413}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HD2 ))
 ASSI { 1424}
   (( segid "    " and resid 134  and name HN  ))
   (  segid "    " and resid 133  and name HD% )
      2.800     2.800     3.200 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.89794E-03 ppm1      9.080 ppm2      6.939 CV     1
 OR { 1424}
   (( segid "    " and resid 134  and name HN  ))
   (  segid "    " and resid 105  and name HD% )
 ASSI { 1434}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
      4.300     2.400     1.700 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.76317E-03 ppm1      9.076 ppm2      2.633 CV     1
 OR { 1434}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HB2 ))
 ASSI { 1437}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HB1 ))
      3.600     1.600     1.600 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.88706E-03 ppm1      8.304 ppm2      3.990 CV     1
 OR { 1437}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 115  and name HA2 ))
 ASSI { 1440}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HB1 ))
      3.400     1.500     1.500 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.25160E-02 ppm1      8.297 ppm2      2.930 CV     1
 OR { 1440}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 111  and name HE1 ))
 OR { 1440}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 111  and name HE2 ))
 ASSI { 1445}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.800     1.500     2.000 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.67869E-03 ppm1      8.746 ppm2      3.092 CV     1
 OR { 1445}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 90   and name HB1 ))
 ASSI { 1449}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
      4.100     2.100     1.900 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.20545E-02 ppm1      7.913 ppm2     -0.003 CV     1
 OR { 1449}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI { 1454}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.800     1.000     1.000 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.29541E-02 ppm1      7.910 ppm2      4.350 CV     1
 OR { 1454}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
 OR { 1454}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 1455}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.200     1.300     1.300 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.12640E-02 ppm1      7.911 ppm2      4.243 CV     1
 OR { 1455}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 138  and name HB  ))
 OR { 1455}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 140  and name HA  ))
 ASSI { 1457}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      4.900     3.000     1.100 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.65686E-03 ppm1      7.913 ppm2      1.887 CV     1
 OR { 1457}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 1458}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      2.500     0.800     0.800 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.98101E-02 ppm1      8.665 ppm2      2.842 CV     1
 OR { 1458}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HB2 ))
 OR { 1458}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HB1 ))
 ASSI { 1462}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      4.100     2.100     1.900 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.61338E-03 ppm1      8.669 ppm2      4.384 CV     1
 OR { 1462}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
 ASSI { 1470}
   (( segid "    " and resid 138  and name HN  ))
   (  segid "    " and resid 109  and name HG2%)
      4.700     2.700     1.300 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.39916E-03 ppm1      9.099 ppm2      0.859 CV     1
 OR { 1470}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
 OR { 1470}
   (( segid "    " and resid 138  and name HN  ))
   (  segid "    " and resid 140  and name HD1%)
 ASSI { 1474}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 137  and name HA  ))
      2.200     0.600     0.600 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.46945E-02 ppm1      9.100 ppm2      5.531 CV     1
 OR { 1474}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
 ASSI { 1477}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 138  and name HB  ))
      3.800     1.800     1.800 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.62000E-03 ppm1      9.101 ppm2      4.284 CV     1
 OR { 1477}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
 ASSI { 1479}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
      4.300     2.300     1.700 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.81308E-03 ppm1      9.100 ppm2      2.950 CV     1
 OR { 1479}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 108  and name HB1 ))
 ASSI { 1488}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
      3.600     1.600     1.600 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.13852E-02 ppm1      9.373 ppm2      0.643 CV     1
 OR { 1488}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 1488}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
 ASSI { 1489}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 59   and name HG2%)
      4.700     2.800     1.300 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.56245E-03 ppm1      9.368 ppm2      1.159 CV     1
 OR { 1489}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
 OR { 1489}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
 ASSI { 1514}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      5.000     3.200     1.000 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.55393E-03 ppm1      8.839 ppm2      5.033 CV     1
 OR { 1514}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 1516}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.100     1.200     1.200 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.26050E-02 ppm1      8.394 ppm2      2.933 CV     1
 ASSI { 1518}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.600     2.700     1.400 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.93270E-03 ppm1      8.389 ppm2      2.635 CV     1
 OR { 1518}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI { 1524}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
      4.600     2.600     1.400 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.64092E-03 ppm1      9.197 ppm2      0.647 CV     1
 OR { 1524}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 1524}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
 OR { 1524}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 1532}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      3.800     1.800     1.800 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.79790E-03 ppm1      8.168 ppm2      1.066 CV     1
 OR { 1532}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 67   and name HG2%)
 ASSI { 1533}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      3.800     1.800     1.800 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.10543E-02 ppm1      8.215 ppm2      1.449 CV     1
 OR { 1533}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HG1 ))
 ASSI { 1541}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HG1%)
      3.200     1.300     1.300 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.24443E-02 ppm1      7.985 ppm2      0.694 CV     1
 OR { 1541}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
 ASSI { 1542}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HB  ))
      2.600     0.900     0.900 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.17633E-02 ppm1      7.875 ppm2      4.350 CV     1
 OR { 1542}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
 OR { 1542}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 1558}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG2 ))
      3.500     1.500     1.400 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.68440E-03 ppm1      8.842 ppm2      1.450 CV     1
 OR { 1558}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 19   and name HG  ))
 ASSI { 1559}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.500     1.500     1.900 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.78322E-03 ppm1      8.838 ppm2      2.978 CV     1
 OR { 1559}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HD2 ))
 ASSI { 1583}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.000     1.200     1.200 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.28299E-02 ppm1      8.273 ppm2      2.887 CV     1
 ASSI { 1606}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.800     1.800     1.800 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.98812E-03 ppm1      8.176 ppm2      2.119 CV     1
 OR { 1606}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 1610}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.700     1.700     2.000 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.19816E-02 ppm1      8.462 ppm2      1.693 CV     1
 ASSI { 1614}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      4.000     2.000     2.000 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.53366E-03 ppm1      8.466 ppm2      1.335 CV     1
 OR { 1614}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
 ASSI { 1616}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 47   and name HB% )
      4.400     2.500     1.600 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.57360E-03 ppm1      8.489 ppm2      1.273 CV     1
 OR { 1616}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
 OR { 1616}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
 ASSI { 1619}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      4.000     2.200     1.500 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.43313E-03 ppm1      7.515 ppm2      2.810 CV     1
 OR { 1619}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 85   and name HE2 ))
 ASSI { 1620}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.600     1.600     1.600 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.12616E-02 ppm1      7.515 ppm2      2.502 CV     1
 OR { 1620}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
 OR { 1620}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 1623}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 11   and name HG1%)
      4.500     2.500     1.500 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.75750E-03 ppm1      8.214 ppm2      0.690 CV     1
 OR { 1623}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
 ASSI { 1625}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HG1 ))
      3.700     1.700     1.700 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.92144E-03 ppm1      8.373 ppm2      2.021 CV     1
 OR { 1625}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HG2 ))
 OR { 1625}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
 ASSI { 1630}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 20   and name HE% )
      3.700     1.700     1.700 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.13879E-02 ppm1      8.219 ppm2      6.814 CV     1
 OR { 1630}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 79   and name HD% )
 ASSI { 1634}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      5.200     3.400     0.800 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.34337E-03 ppm1      7.527 ppm2      1.731 CV     1
 OR { 1634}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
 ASSI { 1646}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB  ))
      2.900     1.100     1.100 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.29129E-02 ppm1      8.344 ppm2      1.194 CV     1
 OR { 1646}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 141  and name HB% )
 ASSI { 1651}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HB1 ))
      3.000     1.100     1.100 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.51601E-02 ppm1      8.571 ppm2      2.828 CV     1
 OR { 1651}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
 OR { 1651}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 117  and name HB2 ))
 ASSI { 1675}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
      4.400     2.400     1.600 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.95225E-03 ppm1      8.570 ppm2      0.695 CV     1
 OR { 1675}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 11   and name HG1%)
 ASSI { 1688}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      4.300     2.300     1.700 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.52198E-03 ppm1      7.587 ppm2      2.782 CV     1
 OR { 1688}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI { 1698}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.600     1.600     1.600 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.14355E-02 ppm1      7.588 ppm2      8.547 CV     1
 OR { 1698}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 1704}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG1 ))
      2.000     0.500     0.500 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.60365E-02 ppm1      7.582 ppm2      1.961 CV     1
 OR { 1704}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
 OR { 1704}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1706}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      2.000     0.500     0.500 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.14069E-01 ppm1      7.586 ppm2      1.865 CV     1
 OR { 1706}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
 OR { 1706}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI { 1707}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HD1 ))
      3.900     1.900     1.900 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.23678E-02 ppm1      7.584 ppm2      1.682 CV     1
 OR { 1707}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HD2 ))
 OR { 1707}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
 OR { 1707}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
 ASSI { 1708}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.400     0.700     0.700 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.18519E-02 ppm1      7.581 ppm2      1.612 CV     1
 OR { 1708}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI { 1710}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.400     1.500     1.500 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.26217E-02 ppm1      7.579 ppm2      1.276 CV     1
 OR { 1710}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 47   and name HB% )
 OR { 1710}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
 ASSI { 1712}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
      4.400     2.500     1.600 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.90311E-03 ppm1      7.579 ppm2      0.661 CV     1
 OR { 1712}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
 OR { 1712}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI { 1723}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.000     1.200     1.200 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.10116E-02 ppm1      8.218 ppm2      2.178 CV     1
 OR { 1723}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
 OR { 1723}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
 ASSI { 1728}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      4.000     2.200     1.000 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.13190E-02 ppm1      8.223 ppm2      4.357 CV     1
 OR { 1728}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI { 1733}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
      3.500     1.500     1.500 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.87892E-03 ppm1      8.717 ppm2      0.649 CV     1
 OR { 1733}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 86   and name HD2%)
 ASSI { 1738}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG12))
      2.900     1.000     1.000 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.13156E-02 ppm1      9.344 ppm2      1.403 CV     1
 OR { 1738}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
 OR { 1738}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 41   and name HG11))
 ASSI { 1753}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 133  and name HB2 ))
      3.100     1.200     1.200 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.98379E-03 ppm1      8.792 ppm2      2.622 CV     1
 OR { 1753}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
 ASSI { 1760}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG2 ))
      2.700     0.900     0.900 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.26417E-02 ppm1      8.730 ppm2      1.222 CV     1
 OR { 1760}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG1 ))
 OR { 1760}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 1762}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      4.900     3.000     1.100 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.82688E-03 ppm1      7.715 ppm2      4.563 CV     1
 OR { 1762}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
 OR { 1762}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 139  and name HA  ))
 ASSI { 1776}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 143  and name HB1 ))
      3.500     1.500     2.500 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.92338E-03 ppm1      8.583 ppm2      1.675 CV     1
 OR { 1776}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 143  and name HB2 ))
 OR { 1776}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 143  and name HG1 ))
 OR { 1776}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 148  and name HB1 ))
 OR { 1776}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 148  and name HB2 ))
 ASSI { 1788}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HG1 ))
      3.600     1.600     1.600 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.20891E-02 ppm1      8.166 ppm2      1.293 CV     1
 OR { 1788}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
 OR { 1788}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HG2 ))
 OR { 1788}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG1 ))
 ASSI { 1798}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      3.300     1.500     1.300 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.76446E-03 ppm1      8.161 ppm2      4.049 CV     1
 OR { 1798}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
 ASSI { 1823}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      4.600     2.700     1.400 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.75518E-03 ppm1      8.459 ppm2      1.865 CV     1
 ASSI { 1841}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HG1 ))
      3.400     1.500     1.500 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.11953E-02 ppm1      9.184 ppm2      1.524 CV     1
 OR { 1841}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HG2 ))
 OR { 1841}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 114  and name HB% )
 ASSI { 1843}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
      4.900     3.100     1.100 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.35075E-03 ppm1      9.411 ppm2      0.669 CV     1
 OR { 1843}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 123  and name HD1%)
 OR { 1843}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 123  and name HD2%)
 OR { 1843}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 1843}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 1843}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 1845}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
      4.000     2.000     2.000 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.43663E-03 ppm1      9.415 ppm2      1.629 CV     1
 OR { 1845}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
 ASSI { 1849}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB  ))
      3.000     1.100     1.100 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.28779E-02 ppm1      9.154 ppm2      1.177 CV     1
 OR { 1849}
   (( segid "    " and resid 110  and name HN  ))
   (  segid "    " and resid 141  and name HB% )
 ASSI { 1853}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 144  and name HG2 ))
      5.100     3.300     0.900 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.37731E-03 ppm1      8.977 ppm2      2.237 CV     1
 OR { 1853}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 144  and name HG1 ))
 ASSI { 1854}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 143  and name HG2 ))
      3.300     1.400     1.400 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.17334E-02 ppm1      8.980 ppm2      1.895 CV     1
 ASSI { 1857}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.200     0.600     0.600 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.76112E-02 ppm1      8.485 ppm2      2.117 CV     1
 ASSI { 1858}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      2.900     1.100     1.100 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.80478E-02 ppm1      8.483 ppm2      2.041 CV     1
 OR { 1858}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
 ASSI { 1898}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.800     1.800     2.000 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.15044E-02 ppm1      8.691 ppm2      8.469 CV     1
 OR { 1898}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 1899}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 44   and name HD21))
      3.700     1.700     1.700 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.21692E-02 ppm1      8.226 ppm2      7.591 CV     1
 OR { 1899}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1914}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 11   and name HG2%)
      3.300     1.500     1.100 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.40608E-02 ppm1      8.878 ppm2      1.274 CV     1
 ASSI { 1917}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.100     1.200     1.200 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.21814E-02 ppm1      8.226 ppm2      1.892 CV     1
 OR { 1917}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI { 1918}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
      3.000     1.200     1.200 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.16567E-02 ppm1      8.229 ppm2      1.623 CV     1
 OR { 1918}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI { 1919}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      2.700     0.900     0.900 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.20933E-02 ppm1      8.227 ppm2      1.469 CV     1
 OR { 1919}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HG2 ))
 ASSI { 1920}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.400     1.400     1.400 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.23951E-02 ppm1      8.225 ppm2      1.376 CV     1
 OR { 1920}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 1932}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      3.200     1.300     1.300 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.30373E-02 ppm1      9.084 ppm2      2.487 CV     1
 OR { 1932}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
 ASSI { 1938}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 59   and name HB  ))
      4.500     2.500     1.500 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.99040E-03 ppm1      8.837 ppm2      1.849 CV     1
 OR { 1938}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 87   and name HB  ))
 ASSI { 1941}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.600     0.900     0.900 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.20512E-02 ppm1      8.833 ppm2      4.505 CV     1
 OR { 1941}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
 ASSI { 1947}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.600     0.800     0.800 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.25993E-02 ppm1      8.188 ppm2      1.259 CV     1
 OR { 1947}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 OR { 1947}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
 OR { 1947}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 1949}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      3.100     1.200     1.200 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.22348E-02 ppm1      9.670 ppm2      0.866 CV     1
 OR { 1949}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
 OR { 1949}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 109  and name HG2%)
 ASSI { 1952}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      3.100     1.200     1.200 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.68231E-03 ppm1      9.663 ppm2      2.415 CV     1
 ASSI { 1972}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      4.300     2.400     1.700 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.81178E-03 ppm1      9.659 ppm2      1.314 CV     1
 OR { 1972}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 84   and name HG  ))
 OR { 1972}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
 ASSI { 1973}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 75   and name HG1 ))
      3.600     1.600     1.600 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.10302E-02 ppm1      9.656 ppm2      1.266 CV     1
 OR { 1973}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 85   and name HG1 ))
 OR { 1973}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
 OR { 1973}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR { 1973}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
 ASSI { 1975}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      3.700     1.700     1.700 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.95560E-03 ppm1      9.632 ppm2      1.639 CV     1
 OR { 1975}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HG1 ))
 OR { 1975}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 1982}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 87   and name HG1%)
      3.400     1.400     1.400 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.27442E-02 ppm1      8.773 ppm2      0.500 CV     1
 OR { 1982}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI { 1983}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      3.300     1.400     1.400 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.17389E-02 ppm1      8.504 ppm2      1.285 CV     1
 OR { 1983}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HG1 ))
 OR { 1983}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HG2 ))
 ASSI { 1984}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 86   and name HD2%)
      4.400     2.400     1.600 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.10829E-02 ppm1      8.498 ppm2      0.664 CV     1
 OR { 1984}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
 ASSI { 1985}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 87   and name HG1%)
      4.100     2.100     1.900 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.96960E-03 ppm1      8.498 ppm2      0.508 CV     1
 OR { 1985}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI { 1987}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
      4.100     2.100     1.900 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.58208E-03 ppm1      8.773 ppm2      1.644 CV     1
 OR { 1987}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
 ASSI { 1989}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
      2.600     0.800     0.800 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.31084E-02 ppm1      8.496 ppm2      1.623 CV     1
 OR { 1989}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
 OR { 1989}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
 ASSI { 1990}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 90   and name HB2 ))
      4.300     2.300     1.700 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.11820E-02 ppm1      8.845 ppm2      2.709 CV     1
 OR { 1990}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 126  and name HB2 ))
 OR { 1990}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 126  and name HB1 ))
 ASSI { 1992}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 127  and name HB1 ))
      2.600     0.900     0.900 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.61239E-02 ppm1      8.851 ppm2      2.098 CV     1
 OR { 1992}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
 OR { 1992}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
 OR { 1992}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HE1 ))
 OR { 1992}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HE2 ))
 ASSI { 1999}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 108  and name HD% )
      3.900     1.900     1.900 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.69155E-03 ppm1      8.493 ppm2      6.745 CV     1
 OR { 1999}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 106  and name HD% )
 OR { 1999}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 105  and name HE% )
 ASSI { 2002}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      2.900     1.100     1.100 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.21112E-02 ppm1      8.852 ppm2      3.626 CV     1
 OR { 2002}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 130  and name HA  ))
 ASSI { 2016}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      3.700     1.700     1.700 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.43564E-03 ppm1      9.338 ppm2      5.086 CV     1
 OR { 2016}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
 ASSI { 2028}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.700     0.900     0.900 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.11615E-02 ppm1      9.657 ppm2      4.923 CV     1
 OR { 2028}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI { 2041}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      4.100     2.100     1.900 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.15835E-02 ppm1      9.305 ppm2      1.160 CV     1
 OR { 2041}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 2042}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      3.000     3.000     3.000 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.13622E-02 ppm1      9.305 ppm2      0.862 CV     1
 OR { 2042}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
 ASSI { 2043}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
      3.000     1.200     1.000 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.45500E-02 ppm1      9.302 ppm2      0.687 CV     1
 OR { 2043}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 11   and name HG1%)
 ASSI { 2063}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.400     1.500     1.500 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.89463E-03 ppm1      8.880 ppm2      1.905 CV     1
 OR { 2063}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 OR { 2063}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
 ASSI { 2069}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.000     1.100     1.100 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.15423E-02 ppm1      8.545 ppm2      4.831 CV     1
 OR { 2069}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI { 2070}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      4.700     2.800     1.300 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.57660E-03 ppm1      8.554 ppm2      4.515 CV     1
 OR { 2070}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 2074}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      3.400     1.400     1.400 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.17793E-02 ppm1      8.545 ppm2      1.851 CV     1
 OR { 2074}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI { 2075}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      4.500     2.600     1.500 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.10960E-02 ppm1      9.097 ppm2      1.745 CV     1
 OR { 2075}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
 OR { 2075}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
 OR { 2075}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI { 2077}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG11))
      2.700     0.900     0.900 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.22762E-02 ppm1      9.099 ppm2      1.415 CV     1
 OR { 2077}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
 OR { 2077}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG12))
 OR { 2077}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 33   and name HG12))
 ASSI { 2079}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 34   and name HG2%)
      3.400     1.400     1.400 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.13650E-02 ppm1      9.094 ppm2      1.178 CV     1
 OR { 2079}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
 OR { 2079}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 59   and name HG2%)
 ASSI { 2080}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      3.500     3.500     2.500 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.10322E-02 ppm1      9.099 ppm2      0.953 CV     1
 OR { 2080}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 59   and name HG1%)
 ASSI { 2081}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      3.800     1.900     1.900 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.11262E-02 ppm1      9.094 ppm2      0.889 CV     1
 OR { 2081}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
 OR { 2081}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 121  and name HG2%)
 ASSI { 2082}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
      4.400     2.400     1.600 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.97888E-03 ppm1      9.100 ppm2      0.616 CV     1
 OR { 2082}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 109  and name HG1%)
 OR { 2082}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 2088}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.500     1.500     1.500 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.10681E-02 ppm1      9.101 ppm2      5.493 CV     1
 OR { 2088}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 2092}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.800     1.800     1.800 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.12364E-02 ppm1      8.545 ppm2      7.592 CV     1
 OR { 2092}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 38   and name HD22))
 ASSI { 2123}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      3.500     1.500     1.500 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.25137E-02 ppm1      8.414 ppm2      6.820 CV     1
 OR { 2123}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 79   and name HD% )
 ASSI { 2130}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 85   and name HG2 ))
      4.000     2.200     1.600 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.11006E-02 ppm1      8.415 ppm2      1.270 CV     1
 OR { 2130}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 85   and name HG1 ))
 OR { 2130}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
 ASSI { 2134}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      3.100     3.100     2.900 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.93133E-03 ppm1      8.996 ppm2      1.177 CV     1
 OR { 2134}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
 OR { 2134}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 59   and name HG2%)
 ASSI { 2136}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 123  and name HD1%)
      3.800     1.800     1.800 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.53084E-03 ppm1      8.831 ppm2      0.682 CV     1
 OR { 2136}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
 OR { 2136}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
 OR { 2136}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 123  and name HD1%)
 OR { 2136}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 123  and name HD2%)
 ASSI { 2137}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 109  and name HG1%)
      3.800     1.800     1.800 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.12445E-02 ppm1      8.834 ppm2      0.579 CV     1
 OR { 2137}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
 ASSI { 2160}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 134  and name HD% )
      3.500     1.500     1.500 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.12044E-02 ppm1      8.552 ppm2      6.634 CV     1
 OR { 2160}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 122  and name HD% )
 ASSI { 2173}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.800     1.000     0.600 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.55743E-02 ppm1      8.900 ppm2      1.226 CV     1
 OR { 2173}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 OR { 2173}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 11   and name HG2%)
 ASSI { 2207}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 141  and name HB% )
      3.700     1.700     1.700 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.20366E-02 ppm1      6.966 ppm2      1.168 CV     1
 OR { 2207}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 109  and name HB  ))
 ASSI { 2216}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.700     1.700     1.700 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.40399E-03 ppm1      8.641 ppm2      4.561 CV     1
 OR { 2216}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI { 2217}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 137  and name HA  ))
      4.500     2.600     1.500 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.42898E-03 ppm1      6.960 ppm2      5.530 CV     1
 OR { 2217}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
 ASSI { 2239}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      4.700     2.800     1.300 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.49414E-03 ppm1      7.761 ppm2      2.684 CV     1
 OR { 2239}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 126  and name HB2 ))
 OR { 2239}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 126  and name HB1 ))
 OR { 2239}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid  97  and name HB1 ))
 ASSI { 2242}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      5.500     3.700     0.500 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.34574E-03 ppm1      8.846 ppm2      8.194 CV     1
 OR { 2242}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 2251}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
      4.500     2.500     1.500 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.58706E-03 ppm1      8.873 ppm2      0.618 CV     1
 OR { 2251}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
 ASSI { 2272}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 70   and name HB% )
      4.400     2.400     1.600 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.41841E-03 ppm1      9.769 ppm2      1.313 CV     1
 OR { 2272}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 2276}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG12))
      2.800     1.000     1.000 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.81216E-03 ppm1      9.766 ppm2      1.581 CV     1
 OR { 2276}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
 ASSI { 2277}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 59   and name HG2%)
      5.600     3.900     0.400 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.33550E-03 ppm1      9.760 ppm2      1.198 CV     1
 OR { 2277}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
 OR { 2277}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
 ASSI { 2278}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 68   and name HG  ))
      3.900     1.900     1.900 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.55089E-03 ppm1      9.763 ppm2      1.068 CV     1
 OR { 2278}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 67   and name HG2%)
 ASSI { 2302}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      4.000     2.200     1.800 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.10523E-02 ppm1      9.055 ppm2      1.720 CV     1
 OR { 2302}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 2305}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.600     1.600     1.600 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.10992E-02 ppm1      9.056 ppm2      1.182 CV     1
 OR { 2305}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 141  and name HB% )
 ASSI { 2306}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      4.000     2.000     2.000 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.10730E-02 ppm1      9.061 ppm2      0.866 CV     1
 OR { 2306}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
 OR { 2306}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HG  ))
 ASSI { 2307}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      3.500     1.600     1.600 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.11294E-02 ppm1      9.059 ppm2      0.517 CV     1
 OR { 2307}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
 OR { 2307}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 87   and name HG1%)
 OR { 2307}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 45   and name HG1%)
 ASSI { 2310}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HG2 ))
      3.000     1.100     1.100 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.31847E-02 ppm1      9.060 ppm2      1.270 CV     1
 OR { 2310}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HG1 ))
 OR { 2310}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
 ASSI { 2311}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HG  ))
      3.400     1.400     1.400 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.23667E-02 ppm1      9.059 ppm2      1.326 CV     1
 OR { 2311}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
 OR { 2311}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 OR { 2311}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
 ASSI { 2339}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB1 ))
      3.300     1.400     1.400 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.15778E-02 ppm1      9.422 ppm2      3.066 CV     1
 OR { 2339}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HB1 ))
 ASSI { 2341}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 106  and name HD% )
      4.600     2.600     1.400 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.63331E-03 ppm1      7.681 ppm2      6.746 CV     1
 OR { 2341}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 108  and name HD% )
 ASSI { 2342}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
      5.700     4.000     0.300 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.43217E-03 ppm1      6.976 ppm2      2.952 CV     1
 OR { 2342}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HE1 ))
 OR { 2342}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HE2 ))
 OR { 2342}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 113  and name HB1 ))
 ASSI { 2348}
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 121  and name HG1%)
      4.500     2.500     1.500 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.58276E-03 ppm1      8.247 ppm2      0.932 CV     1
 OR { 2348}
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
 OR { 2348}
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
 OR { 2348}
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 121  and name HG2%)
 ASSI { 2351}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
      4.400     2.400     1.600 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.70657E-03 ppm1      8.793 ppm2      0.616 CV     1
 OR { 2351}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 2352}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 121  and name HG2%)
      4.100     2.100     1.900 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.99329E-03 ppm1      8.547 ppm2      0.894 CV     1
 OR { 2352}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 121  and name HG1%)
 OR { 2352}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
 ASSI { 2354}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 109  and name HG2%)
      4.000     2.000     2.000 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.99341E-03 ppm1      8.826 ppm2      0.878 CV     1
 OR { 2354}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 121  and name HG2%)
 OR { 2354}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
 OR { 2354}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
 ASSI { 2361}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HG2 ))
      4.100     2.100     1.900 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.58931E-03 ppm1      6.669 ppm2      2.392 CV     1
 OR { 2361}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HG1 ))
 OR { 2361}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 130  and name HB2 ))
 ASSI { 2385}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
      3.700     1.700     1.700 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.27694E-02 ppm1      7.913 ppm2      0.665 CV     1
 OR { 2385}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 140  and name HD2%)
 ASSI { 2392}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 138  and name HN  ))
      4.700     2.700     1.300 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.33212E-03 ppm1      7.112 ppm2      9.108 CV     1
 OR { 2392}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
 ASSI { 2394}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 142  and name HB2 ))
      4.900     3.000     1.100 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.45473E-03 ppm1      7.100 ppm2      3.132 CV     1
 OR { 2394}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 110  and name HB1 ))
 ASSI { 2400}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      3.300     3.300     2.700 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.40536E-03 ppm1      8.973 ppm2      4.442 CV     1
 OR { 2400}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 2406}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      5.500     3.500     0.500 peak  2406 spectrum    1 weight  0.10000E+01 volume  0.39878E-03 ppm1      9.635 ppm2      0.517 CV     1
 OR { 2406}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 2406}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 45   and name HG1%)
 OR { 2406}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
 OR { 2406}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI { 2411}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      4.400     2.400     1.600 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.39859E-03 ppm1      8.090 ppm2      4.342 CV     1
 OR { 2411}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 2417}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HD21))
      4.600     2.700     1.400 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.48189E-03 ppm1      8.378 ppm2      7.641 CV     1
 OR { 2417}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HE21))
 ASSI { 2423}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.500     1.600     1.600 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.79478E-03 ppm1      8.171 ppm2      2.071 CV     1
 OR { 2423}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
 OR { 2423}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2428}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 79   and name HD% )
      5.500     3.800     0.500 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.22521E-03 ppm1      7.982 ppm2      6.803 CV     1
 OR { 2428}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 20   and name HE% )
 OR { 2428}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 10   and name HE  )
 ASSI { 2437}
   (( segid "    " and resid 13   and name HD21))
   (( segid "    " and resid 16   and name HN  ))
      3.800     1.800     1.300 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.10642E-02 ppm1      7.312 ppm2      6.766 CV     1
 OR { 2437}
   (( segid "    " and resid 13   and name HD21))
   (  segid "    " and resid 20   and name HE% )
 ASSI { 2439}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.300     3.300     2.700 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.40182E-03 ppm1      6.742 ppm2      2.385 CV     1
 OR { 2439}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI { 2452}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      4.600     2.600     1.400 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.39482E-03 ppm1      9.296 ppm2      4.566 CV     1
 OR { 2452}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 141  and name HA  ))
 ASSI { 2462}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      4.500     2.600     1.500 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.29291E-03 ppm1      8.867 ppm2      7.921 CV     1
 OR { 2462}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 140  and name HN  ))
 ASSI { 2463}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      4.000     2.000     2.000 peak  2463 spectrum    1 weight  0.10000E+01 volume  0.34231E-03 ppm1      8.852 ppm2      0.514 CV     1
 OR { 2463}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 2463}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 45   and name HG1%)
 OR { 2463}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI { 2464}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      5.100     3.300     0.900 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.33482E-03 ppm1      8.864 ppm2      1.628 CV     1
 OR { 2464}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 26   and name HD1 ))
 OR { 2464}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 26   and name HD2 ))
 ASSI { 2468}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 45   and name HG1%)
      4.300     2.300     1.700 peak  2468 spectrum    1 weight  0.10000E+01 volume  0.10262E-02 ppm1      7.920 ppm2      0.554 CV     1
 OR { 2468}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI { 2470}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.700     1.700     1.700 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.56641E-03 ppm1      7.913 ppm2      3.636 CV     1
 OR { 2470}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 30   and name HA2 ))
 ASSI { 2472}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 45   and name HG1%)
      4.700     2.800     1.300 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.40840E-03 ppm1      7.583 ppm2      0.546 CV     1
 OR { 2472}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI { 2474}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.300     2.300     1.700 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.93677E-03 ppm1      7.581 ppm2      8.165 CV     1
 OR { 2474}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
 OR { 2474}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 2476}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      5.200     3.400     0.800 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.39018E-03 ppm1      7.560 ppm2      3.102 CV     1
 OR { 2476}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI { 2479}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      5.600     3.900     0.400 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.20412E-03 ppm1      8.244 ppm2      9.211 CV     1
 OR { 2479}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
 ASSI { 2480}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      4.300     2.400     1.700 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.83179E-03 ppm1      8.226 ppm2      8.498 CV     1
 ASSI { 2481}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HD1 ))
      5.300     3.400     0.700 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.33831E-03 ppm1      8.227 ppm2      2.886 CV     1
 OR { 2481}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 2483}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
      5.000     3.100     1.000 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.54762E-03 ppm1      8.228 ppm2      0.651 CV     1
 OR { 2483}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
 OR { 2483}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
 OR { 2483}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 2503}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD% )
      3.600     1.600     1.600 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.20668E-02 ppm1      9.200 ppm2      7.344 CV     1
 OR { 2503}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2506}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
      5.400     3.700     0.600 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.33207E-03 ppm1      8.720 ppm2      0.666 CV     1
 OR { 2506}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 2506}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
 ASSI { 2508}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
      4.900     3.000     1.100 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.73301E-03 ppm1      9.351 ppm2      0.623 CV     1
 OR { 2508}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 2517}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 41   and name HG11))
      3.700     1.700     1.700 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.49201E-03 ppm1      8.225 ppm2      1.399 CV     1
 OR { 2517}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
 OR { 2517}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 41   and name HG12))
 OR { 2517}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HG12))
 ASSI { 2529}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 34   and name HG2%)
      4.700     2.700     1.300 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.47592E-03 ppm1      8.274 ppm2      1.219 CV     1
 OR { 2529}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
 ASSI { 2532}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      5.800     4.200     0.200 peak  2532 spectrum    1 weight  0.10000E+01 volume  0.18370E-03 ppm1      8.307 ppm2      1.728 CV     1
 OR { 2532}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI { 2541}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      5.200     3.300     0.800 peak  2541 spectrum    1 weight  0.10000E+01 volume  0.50201E-03 ppm1      8.872 ppm2      1.181 CV     1
 OR { 2541}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 59   and name HG2%)
 ASSI { 2550}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      5.400     3.600     0.600 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.25295E-03 ppm1      9.367 ppm2      4.598 CV     1
 OR { 2550}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 30   and name HA1 ))
 ASSI { 2552}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 31   and name HD% )
      5.000     3.100     1.000 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.40239E-03 ppm1      8.108 ppm2      7.311 CV     1
 OR { 2552}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
 OR { 2552}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2556}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      4.600     2.600     1.400 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.51559E-03 ppm1      8.481 ppm2      9.223 CV     1
 OR { 2556}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
 ASSI { 2562}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 45   and name HG1%)
      4.700     2.700     1.300 peak  2562 spectrum    1 weight  0.10000E+01 volume  0.68858E-03 ppm1      7.272 ppm2      0.544 CV     1
 OR { 2562}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI { 2564}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 75   and name HG2 ))
      5.000     3.200     1.000 peak  2564 spectrum    1 weight  0.10000E+01 volume  0.65001E-03 ppm1      7.273 ppm2      1.170 CV     1
 OR { 2564}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI { 2568}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      4.300     2.300     1.700 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.53978E-03 ppm1      8.688 ppm2      1.207 CV     1
 OR { 2568}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
 ASSI { 2577}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      4.000     2.200     2.000 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.55621E-03 ppm1      8.166 ppm2      3.459 CV     1
 ASSI { 2590}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      4.000     2.200     2.000 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.24473E-03 ppm1      9.661 ppm2      8.996 CV     1
 ASSI { 2602}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      4.400     2.500     1.600 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.46584E-03 ppm1      9.008 ppm2      8.507 CV     1
 OR { 2602}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 2606}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      4.500     2.500     1.500 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.49440E-03 ppm1      8.465 ppm2      1.291 CV     1
 OR { 2606}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 70   and name HB% )
 ASSI { 2609}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 59   and name HG2%)
      4.400     2.400     1.600 peak  2609 spectrum    1 weight  0.10000E+01 volume  0.67839E-03 ppm1      8.617 ppm2      1.190 CV     1
 OR { 2609}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
 ASSI { 2615}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.600     1.600     1.300 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.10873E-02 ppm1      8.435 ppm2      3.090 CV     1
 OR { 2615}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
 ASSI { 2620}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 88   and name HB1 ))
      3.300     1.400     1.400 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.41704E-03 ppm1      8.830 ppm2      3.289 CV     1
 OR { 2620}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 2655}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 141  and name HB% )
      3.900     1.900     1.900 peak  2655 spectrum    1 weight  0.10000E+01 volume  0.94267E-03 ppm1      8.305 ppm2      1.176 CV     1
 OR { 2655}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 109  and name HB  ))
 OR { 2655}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 2667}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 106  and name HB1 ))
      4.400     2.400     1.600 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.52164E-03 ppm1      8.504 ppm2      3.076 CV     1
 OR { 2667}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 105  and name HB1 ))
 ASSI { 2698}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.800     1.800     1.500 peak  2698 spectrum    1 weight  0.10000E+01 volume  0.80425E-03 ppm1      8.454 ppm2      4.328 CV     1
 ASSI { 2701}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.800     1.800     1.800 peak  2701 spectrum    1 weight  0.10000E+01 volume  0.23664E-02 ppm1      8.486 ppm2      1.713 CV     1
 ASSI { 2704}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HD% )
      4.100     2.100     1.900 peak  2704 spectrum    1 weight  0.10000E+01 volume  0.50992E-03 ppm1      9.422 ppm2      6.964 CV     1
 OR { 2704}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 133  and name HD% )
 ASSI { 2707}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      4.800     2.900     1.200 peak  2707 spectrum    1 weight  0.10000E+01 volume  0.39246E-03 ppm1      9.425 ppm2      1.289 CV     1
 OR { 2707}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 85   and name HG1 ))
 OR { 2707}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 85   and name HG2 ))
 ASSI { 2713}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 123  and name HD1%)
      5.300     3.500     0.700 peak  2713 spectrum    1 weight  0.10000E+01 volume  0.28939E-03 ppm1      7.673 ppm2      0.681 CV     1
 OR { 2713}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 123  and name HD2%)
 OR { 2713}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
 ASSI { 2721}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      3.200     1.300     1.300 peak  2721 spectrum    1 weight  0.10000E+01 volume  0.93514E-03 ppm1      9.146 ppm2      8.326 CV     1
 OR { 2721}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
 ASSI { 2728}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 137  and name HB1 ))
      5.100     3.300     0.900 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.28986E-03 ppm1      6.979 ppm2      3.348 CV     1
 OR { 2728}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 142  and name HB1 ))
 ASSI { 2731}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 141  and name HN  ))
      5.400     3.600     0.600 peak  2731 spectrum    1 weight  0.10000E+01 volume  0.26396E-03 ppm1      9.174 ppm2      7.090 CV     1
 OR { 2731}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 141  and name HN  ))
 ASSI { 2733}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HE1 ))
      5.500     3.800     0.500 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.43929E-03 ppm1      9.182 ppm2      2.941 CV     1
 OR { 2733}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HE2 ))
 OR { 2733}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 113  and name HB1 ))
 OR { 2733}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 108  and name HB1 ))
 OR { 2733}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
 ASSI { 2743}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      5.400     3.700     0.600 peak  2743 spectrum    1 weight  0.10000E+01 volume  0.33988E-03 ppm1      8.589 ppm2      2.823 CV     1
 OR { 2743}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 117  and name HB2 ))
 OR { 2743}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 116  and name HB1 ))
 ASSI { 2757}
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 114  and name HB% )
      4.400     2.400     1.600 peak  2757 spectrum    1 weight  0.10000E+01 volume  0.39482E-03 ppm1      8.253 ppm2      1.573 CV     1
 OR { 2757}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 120  and name HB1 ))
 ASSI { 2768}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA2 ))
      3.300     1.500     1.000 peak  2768 spectrum    1 weight  0.10000E+01 volume  0.58664E-03 ppm1      8.838 ppm2      4.029 CV     1
 OR { 2768}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
 OR { 2768}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 91   and name HA1 ))
 OR { 2768}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 128  and name HA  ))
 ASSI { 2770}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      4.500     2.500     1.500 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.48033E-03 ppm1      7.764 ppm2      4.018 CV     1
 OR { 2770}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 128  and name HA  ))
 ASSI { 2772}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 105  and name HB1 ))
      4.600     2.600     1.400 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.23818E-03 ppm1      9.093 ppm2      3.074 CV     1
 OR { 2772}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 106  and name HB1 ))
 ASSI { 2774}
   (( segid "    " and resid 136  and name HE1 ))
   (( segid "    " and resid 117  and name HB2 ))
      3.200     3.200     2.800 peak  2774 spectrum    1 weight  0.10000E+01 volume  0.35388E-03 ppm1      9.788 ppm2      2.862 CV     1
 OR { 2774}
   (( segid "    " and resid 136  and name HE1 ))
   (( segid "    " and resid 117  and name HB1 ))
 OR { 2774}
   (( segid "    " and resid 136  and name HE1 ))
   (( segid "    " and resid 27   and name HD1 ))
 ASSI { 2775}
   (( segid "    " and resid 136  and name HE1 ))
   (( segid "    " and resid 25   and name HB2 ))
      4.700     2.700     1.300 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.27834E-03 ppm1      9.787 ppm2      1.233 CV     1
 OR { 2775}
   (( segid "    " and resid 136  and name HE1 ))
   (( segid "    " and resid 22   and name HB1 ))
 OR { 2775}
   (( segid "    " and resid 136  and name HE1 ))
   (( segid "    " and resid 140  and name HG  ))
 ASSI { 2783}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      4.700     2.800     1.300 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.51338E-03 ppm1      9.638 ppm2      2.098 CV     1
 OR { 2783}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
 OR { 2783}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
 ASSI { 2784}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 85   and name HG1 ))
      4.400     2.400     1.600 peak  2784 spectrum    1 weight  0.10000E+01 volume  0.74720E-03 ppm1      9.634 ppm2      1.294 CV     1
 OR { 2784}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
 OR { 2784}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 84   and name HG  ))
 OR { 2784}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
 OR { 2784}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
 OR { 2784}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 47   and name HB% )
 OR { 2784}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 2785}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 75   and name HG1 ))
      3.800     1.800     1.800 peak  2785 spectrum    1 weight  0.10000E+01 volume  0.79908E-03 ppm1      9.625 ppm2      1.208 CV     1
 OR { 2785}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 85   and name HG1 ))
 OR { 2785}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 75   and name HG2 ))
 OR { 2785}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 141  and name HB% )
 OR { 2785}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR { 2785}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HB  ))
 ASSI { 2799}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.800     2.800     1.200 peak  2799 spectrum    1 weight  0.10000E+01 volume  0.52518E-03 ppm1      7.990 ppm2      4.251 CV     1
 OR { 2799}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 2803}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      5.500     3.500     0.500 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.37778E-03 ppm1      7.371 ppm2      8.467 CV     1
 OR { 2803}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2807}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      5.500     3.500     0.500 peak  2807 spectrum    1 weight  0.10000E+01 volume  0.23902E-03 ppm1      9.344 ppm2      1.645 CV     1
 OR { 2807}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 120  and name HG1 ))
 OR { 2807}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 2809}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
      5.000     3.100     1.000 peak  2809 spectrum    1 weight  0.10000E+01 volume  0.59341E-03 ppm1      9.329 ppm2      0.630 CV     1
 OR { 2809}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 2809}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 2817}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HG1 ))
      5.300     3.500     0.700 peak  2817 spectrum    1 weight  0.10000E+01 volume  0.45659E-03 ppm1      8.323 ppm2      1.313 CV     1
 OR { 2817}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HG2 ))
 ASSI { 2821}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      4.600     2.600     1.400 peak  2821 spectrum    1 weight  0.10000E+01 volume  0.52441E-03 ppm1      8.160 ppm2      8.994 CV     1
 OR { 2821}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HE  ))
 OR { 2821}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 2825}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      3.500     1.500     1.500 peak  2825 spectrum    1 weight  0.10000E+01 volume  0.54206E-03 ppm1      8.124 ppm2      4.598 CV     1
 OR { 2825}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI { 2826}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.700     1.800     1.800 peak  2826 spectrum    1 weight  0.10000E+01 volume  0.11761E-02 ppm1      8.498 ppm2      7.296 CV     1
 OR { 2826}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 31   and name HD% )
 OR { 2826}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 125  and name HE% )
 ASSI { 2829}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HD21))
      4.400     2.400     1.600 peak  2829 spectrum    1 weight  0.10000E+01 volume  0.33455E-03 ppm1      8.495 ppm2      7.590 CV     1
 OR { 2829}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 2833}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      2.700     0.900     0.900 peak  2833 spectrum    1 weight  0.10000E+01 volume  0.22086E-02 ppm1      8.494 ppm2      4.228 CV     1
 OR { 2833}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 2836}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      2.800     2.800     3.200 peak  2836 spectrum    1 weight  0.10000E+01 volume  0.76317E-03 ppm1      8.583 ppm2      9.152 CV     1
 OR { 2836}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
 ASSI { 2846}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      5.000     3.100     1.000 peak  2846 spectrum    1 weight  0.10000E+01 volume  0.42537E-03 ppm1      8.421 ppm2      1.945 CV     1
 OR { 2846}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
 OR { 2846}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 2850}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      4.500     2.500     1.500 peak  2850 spectrum    1 weight  0.10000E+01 volume  0.65716E-03 ppm1      7.569 ppm2      2.785 CV     1
 OR { 2850}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 OR { 2850}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
 OR { 2850}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI { 2851}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HE2 ))
      5.400     3.700     0.600 peak  2851 spectrum    1 weight  0.10000E+01 volume  0.45648E-03 ppm1      7.582 ppm2      2.973 CV     1
 OR { 2851}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HE1 ))
 OR { 2851}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HE2 ))
 OR { 2851}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HE1 ))
 ASSI { 2852}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      4.400     2.400     1.600 peak  2852 spectrum    1 weight  0.10000E+01 volume  0.41970E-03 ppm1      7.572 ppm2      2.878 CV     1
 OR { 2852}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HD1 ))
 OR { 2852}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 75   and name HE2 ))
 OR { 2852}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 75   and name HE1 ))
 ASSI { 2854}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      5.600     3.900     0.400 peak  2854 spectrum    1 weight  0.10000E+01 volume  0.21621E-03 ppm1      9.657 ppm2      8.701 CV     1
 OR { 2854}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
 OR { 2854}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 2857}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      4.300     2.300     1.700 peak  2857 spectrum    1 weight  0.10000E+01 volume  0.28075E-03 ppm1      6.891 ppm2      8.441 CV     1
 OR { 2857}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 2863}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      5.700     4.000     0.300 peak  2863 spectrum    1 weight  0.10000E+01 volume  0.31230E-03 ppm1      9.754 ppm2      2.611 CV     1
 OR { 2863}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI { 2875}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 59   and name HB  ))
      3.900     1.900     1.900 peak  2875 spectrum    1 weight  0.10000E+01 volume  0.21220E-03 ppm1      8.641 ppm2      1.902 CV     1
 OR { 2875}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 2901}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 79   and name HD% )
      3.900     2.900     2.100 peak  2901 spectrum    1 weight  0.10000E+01 volume  0.13578E-02 ppm1      9.078 ppm2      6.762 CV     1
 ASSI { 2905}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 108  and name HD% )
      4.800     2.900     1.200 peak  2905 spectrum    1 weight  0.10000E+01 volume  0.25318E-03 ppm1      9.044 ppm2      6.750 CV     1
 OR { 2905}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 105  and name HE% )
 ASSI { 2909}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HG  ))
      4.700     2.700     1.300 peak  2909 spectrum    1 weight  0.10000E+01 volume  0.56443E-03 ppm1      8.502 ppm2      0.866 CV     1
 OR { 2909}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
 OR { 2909}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 2911}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 106  and name HD% )
      5.400     3.600     0.600 peak  2911 spectrum    1 weight  0.10000E+01 volume  0.28451E-03 ppm1      8.769 ppm2      6.733 CV     1
 OR { 2911}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 105  and name HE% )
 OR { 2911}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 108  and name HD% )
 ASSI { 2925}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      3.500     1.500     1.500 peak  2925 spectrum    1 weight  0.10000E+01 volume  0.92780E-03 ppm1      8.484 ppm2      3.043 CV     1
 OR { 2925}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
 ASSI { 2926}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.200     2.200     1.800 peak  2926 spectrum    1 weight  0.10000E+01 volume  0.34502E-03 ppm1      8.481 ppm2      4.793 CV     1
 OR { 2926}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
 OR { 2926}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
 OR { 2926}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI { 2929}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 105  and name HD% )
      5.300     3.500     0.700 peak  2929 spectrum    1 weight  0.10000E+01 volume  0.24830E-03 ppm1      9.095 ppm2      6.984 CV     1
 OR { 2929}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 133  and name HD% )
 ASSI { 2931}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 134  and name HD% )
      4.900     3.000     1.100 peak  2931 spectrum    1 weight  0.10000E+01 volume  0.21379E-03 ppm1      9.349 ppm2      6.627 CV     1
 OR { 2931}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 122  and name HD% ))
 ASSI { 2938}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      5.000     3.200     1.000 peak  2938 spectrum    1 weight  0.10000E+01 volume  0.35911E-03 ppm1      9.665 ppm2      4.433 CV     1
 OR { 2938}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
 ASSI { 2945}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 134  and name HD% )
      5.800     4.200     0.200 peak  2945 spectrum    1 weight  0.10000E+01 volume  0.16425E-03 ppm1      8.747 ppm2      6.625 CV     1
 OR { 2945}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 122  and name HD% )
 ASSI { 2964}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 127  and name HN  ))
      5.300     3.500     0.700 peak  2964 spectrum    1 weight  0.10000E+01 volume  0.18017E-03 ppm1      7.753 ppm2      8.869 CV     1
 OR { 2964}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 126  and name HN  ))
 ASSI { 2967}
   (( segid "    " and resid 82   and name HE21))
   (( segid "    " and resid 82   and name HA  ))
      5.600     3.900     0.400 peak  2967 spectrum    1 weight  0.10000E+01 volume  0.33230E-03 ppm1      7.623 ppm2      3.570 CV     1
 OR { 2967}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI { 2970}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 37   and name HA  ))
      5.100     3.300     0.900 peak  2970 spectrum    1 weight  0.10000E+01 volume  0.17920E-03 ppm1      6.827 ppm2      4.778 CV     1
 OR { 2970}
   (( segid "    " and resid 6    and name HE22))
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 2974}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 47   and name HB% )
      4.900     3.000     1.100 peak  2974 spectrum    1 weight  0.10000E+01 volume  0.43427E-03 ppm1      8.295 ppm2      1.256 CV     1
 OR { 2974}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 75   and name HG1 ))
 OR { 2974}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR { 2974}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
 OR { 2974}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 2976}
   (( segid "    " and resid 6    and name HE22))
   (( segid "    " and resid 46   and name HB2 ))
      5.700     4.100     0.300 peak  2976 spectrum    1 weight  0.10000E+01 volume  0.28839E-03 ppm1      6.854 ppm2      4.024 CV     1
 OR { 2976}
   (( segid "    " and resid 128  and name HE21))
   (( segid "    " and resid 128  and name HA  ))
 ASSI { 2978}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 140  and name HB1 ))
      4.100     2.100     1.900 peak  2978 spectrum    1 weight  0.10000E+01 volume  0.32863E-03 ppm1      8.573 ppm2      1.442 CV     1
 OR { 2978}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
 OR { 2978}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HG  ))
 OR { 2978}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 140  and name HB2 ))
 ASSI { 2986}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 6    and name HA  ))
      5.000     3.100     1.000 peak  2986 spectrum    1 weight  0.10000E+01 volume  0.20955E-03 ppm1      7.658 ppm2      4.336 CV     1
 OR { 2986}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 2987}
   (( segid "    " and resid 4    and name HD22))
   (( segid "    " and resid 6    and name HA  ))
      5.800     4.100     0.200 peak  2987 spectrum    1 weight  0.10000E+01 volume  0.13208E-03 ppm1      6.953 ppm2      4.330 CV     1
 OR { 2987}
   (( segid "    " and resid 4    and name HD22))
   (( segid "    " and resid 26   and name HA  ))
 OR { 2987}
   (( segid "    " and resid 4    and name HD22))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 2988}
   (( segid "    " and resid 6    and name HE22))
   (( segid "    " and resid 6    and name HB2 ))
      5.400     3.700     0.600 peak  2988 spectrum    1 weight  0.10000E+01 volume  0.46972E-03 ppm1      6.815 ppm2      2.121 CV     1
 OR { 2988}
   (( segid "    " and resid 6    and name HE22))
   (( segid "    " and resid 48   and name HG2 ))
 OR { 2988}
   (( segid "    " and resid 6    and name HE22))
   (( segid "    " and resid 48   and name HG1 ))
 OR { 2988}
   (( segid "    " and resid 6    and name HE22))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2989}
   (( segid "    " and resid 119  and name HE21))
   (( segid "    " and resid 119  and name HB1 ))
      4.700     2.800     1.300 peak  2989 spectrum    1 weight  0.10000E+01 volume  0.44416E-03 ppm1      6.826 ppm2      2.043 CV     1
 OR { 2989}
   (( segid "    " and resid 6    and name HE22))
   (( segid "    " and resid 6    and name HB1 ))
 ASSI { 2996}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HD21))
      4.300     2.300     1.700 peak  2996 spectrum    1 weight  0.10000E+01 volume  0.39189E-03 ppm1      8.173 ppm2      7.630 CV     1
 OR { 2996}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HE21))
 ASSI { 3001}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 139  and name HA  ))
      5.100     3.200     0.900 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.33598E-03 ppm1      9.088 ppm2      4.564 CV     1
 OR { 3001}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
 OR { 3001}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 141  and name HA  ))
 ASSI { 3007}
   (( segid "    " and resid 44   and name HD21))
   (( segid "    " and resid 26   and name HB2 ))
      5.700     4.000     0.300 peak  3007 spectrum    1 weight  0.10000E+01 volume  0.26166E-03 ppm1      7.591 ppm2      1.892 CV     1
 OR { 3007}
   (( segid "    " and resid 44   and name HD21))
   (( segid "    " and resid 48   and name HB1 ))
 OR { 3007}
   (( segid "    " and resid 44   and name HD21))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 3013}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 139  and name HB2 ))
      4.700     2.700     1.300 peak  3013 spectrum    1 weight  0.10000E+01 volume  0.39943E-03 ppm1      6.968 ppm2      4.230 CV     1
 OR { 3013}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
 ASSI { 3029}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      3.100     1.300     1.000 peak  3029 spectrum    1 weight  0.10000E+01 volume  0.14546E-02 ppm1      8.565 ppm2      4.689 CV     1
 OR { 3029}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
 ASSI { 3035}
   (( segid "    " and resid 13   and name HD21))
   (( segid "    " and resid 16   and name HB  ))
      4.000     2.200     2.000 peak  3035 spectrum    1 weight  0.10000E+01 volume  0.29463E-03 ppm1      7.306 ppm2      4.354 CV     1
 OR { 3035}
   (( segid "    " and resid 13   and name HD21))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 2237}
   (( segid "    " and resid 128  and name HG1 ))
   (  segid "    " and resid 98   and name HD1%)
      3.800     1.800     2.500 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.14349E-02 ppm1      2.377 ppm2      0.925 CV     1
 OR { 2237}
   (( segid "    " and resid 128  and name HG2 ))
   (  segid "    " and resid 98   and name HD1%)
 OR { 2237}
   (( segid "    " and resid 128  and name HG2 ))
   (  segid "    " and resid 98   and name HD2%)
 OR { 2237}
   (( segid "    " and resid 128  and name HG1 ))
   (  segid "    " and resid 98   and name HD2%)
 OR { 2237}
   (( segid "    " and resid 6    and name HG1 ))
   (  segid "    " and resid 5    and name HG2%)
 OR { 2237}
   (( segid "    " and resid 6    and name HG1 ))
   (  segid "    " and resid 5    and name HG1%)
 OR { 2237}
   (( segid "    " and resid 6    and name HG2 ))
   (  segid "    " and resid 5    and name HG2%)
 OR { 2237}
   (( segid "    " and resid 6    and name HG2 ))
   (  segid "    " and resid 5    and name HG1%)
 ASSI { 2240}
   (( segid "    " and resid 128  and name HG2 ))
   (( segid "    " and resid 129  and name HB  ))
      2.800     1.000     1.000 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.58892E-02 ppm1      2.374 ppm2      4.339 CV     1
 OR { 2240}
   (( segid "    " and resid 128  and name HG1 ))
   (( segid "    " and resid 129  and name HB  ))
 OR { 2240}
   (( segid "    " and resid 119  and name HG1 ))
   (( segid "    " and resid 119  and name HA  ))
 ASSI { 2960}
   (( segid "    " and resid 128  and name HA  ))
   (  segid "    " and resid 96   and name HG2%)
      3.000     1.200     1.000 peak  2960 spectrum    1 weight  0.10000E+01 volume  0.40095E-02 ppm1      4.013 ppm2      1.254 CV     1
 OR { 2960}
   (( segid "    " and resid 122  and name HA  ))
   (  segid "    " and resid 123  and name HB1 )




!! { Dihedral Angle Restraints }
!!omega CA(i)-C(i)-N(i+1)-CA(i+1)

! K2 
assign 
      (resid    2   and name CA     )
      (resid    2   and name C    )
      (resid    3   and name N     )
      (resid    3   and name CA     )      1  180.00  10.00 2	

! S3 
assign 
      (resid    3   and name CA     )
      (resid    3   and name C    )
      (resid    4   and name N     )
      (resid    4   and name CA     )      1  180.00  10.00 2	

! N4 
assign 
      (resid    4   and name CA     )
      (resid    4   and name C    )
      (resid    5   and name N     )
      (resid    5   and name CA     )      1  180.00  10.00 2	

! V5 
assign 
      (resid    5   and name CA     )
      (resid    5   and name C    )
      (resid    6   and name N     )
      (resid    6   and name CA     )      1  180.00  10.00 2	

! Q6 
assign 
      (resid    6   and name CA     )
      (resid    6   and name C    )
      (resid    7   and name N     )
      (resid    7   and name CA     )      1  180.00  10.00 2	

! N7 
assign 
      (resid    7   and name CA     )
      (resid    7   and name C    )
      (resid    8   and name N     )
      (resid    8   and name CA     )      1  180.00  10.00 2	

! D8 
assign 
      (resid    8   and name CA     )
      (resid    8   and name C    )
      (resid    9   and name N     )
      (resid    9   and name CA     )      1  180.00  10.00 2	

! C9 
assign 
      (resid    9   and name CA     )
      (resid    9   and name C    )
      (resid    10   and name N     )
      (resid    10   and name CA     )      1  180.00  10.00 2	

! R10 
assign 
      (resid    10   and name CA     )
      (resid    10   and name C    )
      (resid    11   and name N     )
      (resid    11   and name CA     )      1  180.00  10.00 2	

! V11 
assign 
      (resid    11   and name CA     )
      (resid    11   and name C    )
      (resid    12   and name N     )
      (resid    12   and name CA     )      1  180.00  10.00 2	

! T12 
assign 
      (resid    12   and name CA     )
      (resid    12   and name C    )
      (resid    13   and name N     )
      (resid    13   and name CA     )      1  180.00  10.00 2	

! N13 
assign 
      (resid    13   and name CA     )
      (resid    13   and name C    )
      (resid    14   and name N     )
      (resid    14   and name CA     )      1  180.00  10.00 2	

! P14 
assign 
      (resid    14   and name CA     )
      (resid    14   and name C    )
      (resid    15   and name N     )
      (resid    15   and name CA     )      1  180.00  10.00 2	

! A15 
assign 
      (resid    15   and name CA     )
      (resid    15   and name C    )
      (resid    16   and name N     )
      (resid    16   and name CA     )      1  180.00  10.00 2	

! T16 
assign 
      (resid    16   and name CA     )
      (resid    16   and name C    )
      (resid    17   and name N     )
      (resid    17   and name CA     )      1  180.00  10.00 2	

! G17 
assign 
      (resid    17   and name CA     )
      (resid    17   and name C    )
      (resid    18   and name N     )
      (resid    18   and name CA     )      1  180.00  10.00 2	

! H18 
assign 
      (resid    18   and name CA     )
      (resid    18   and name C    )
      (resid    19   and name N     )
      (resid    19   and name CA     )      1  180.00  10.00 2	

! L19 
assign 
      (resid    19   and name CA     )
      (resid    19   and name C    )
      (resid    20   and name N     )
      (resid    20   and name CA     )      1  180.00  10.00 2	

! F20 
assign 
      (resid    20   and name CA     )
      (resid    20   and name C    )
      (resid    21   and name N     )
      (resid    21   and name CA     )      1  180.00  10.00 2	

! D21 
assign 
      (resid    21   and name CA     )
      (resid    21   and name C    )
      (resid    22   and name N     )
      (resid    22   and name CA     )      1  180.00  10.00 2	

! L22 
assign 
      (resid    22   and name CA     )
      (resid    22   and name C    )
      (resid    23   and name N     )
      (resid    23   and name CA     )      1  180.00  10.00 2	

! T23 
assign 
      (resid    23   and name CA     )
      (resid    23   and name C    )
      (resid    24   and name N     )
      (resid    24   and name CA     )      1  180.00  10.00 2	

! S24 
assign 
      (resid    24   and name CA     )
      (resid    24   and name C    )
      (resid    25   and name N     )
      (resid    25   and name CA     )      1  180.00  10.00 2	

! L25 
assign 
      (resid    25   and name CA     )
      (resid    25   and name C    )
      (resid    26   and name N     )
      (resid    26   and name CA     )      1  180.00  10.00 2	

! K26 
assign 
      (resid    26   and name CA     )
      (resid    26   and name C    )
      (resid    27   and name N     )
      (resid    27   and name CA     )      1  180.00  10.00 2	

! R27 
assign 
      (resid    27   and name CA     )
      (resid    27   and name C    )
      (resid    28   and name N     )
      (resid    28   and name CA     )      1  180.00  10.00 2	

! E28 
assign 
      (resid    28   and name CA     )
      (resid    28   and name C    )
      (resid    29   and name N     )
      (resid    29   and name CA     )      1  180.00  10.00 2	

! S29 
assign 
      (resid    29   and name CA     )
      (resid    29   and name C    )
      (resid    30   and name N     )
      (resid    30   and name CA     )      1  180.00  10.00 2	

! G30 
assign 
      (resid    30   and name CA     )
      (resid    30   and name C    )
      (resid    31   and name N     )
      (resid    31   and name CA     )      1  180.00  10.00 2	

! Y31 
assign 
      (resid    31   and name CA     )
      (resid    31   and name C    )
      (resid    32   and name N     )
      (resid    32   and name CA     )      1  180.00  10.00 2	

! T32 
assign 
      (resid    32   and name CA     )
      (resid    32   and name C    )
      (resid    33   and name N     )
      (resid    33   and name CA     )      1  180.00  10.00 2	

! I33 
assign 
      (resid    33   and name CA     )
      (resid    33   and name C    )
      (resid    34   and name N     )
      (resid    34   and name CA     )      1  180.00  10.00 2	

! T34 
assign 
      (resid    34   and name CA     )
      (resid    34   and name C    )
      (resid    35   and name N     )
      (resid    35   and name CA     )      1  180.00  10.00 2	

! D35 
assign 
      (resid    35   and name CA     )
      (resid    35   and name C    )
      (resid    36   and name N     )
      (resid    36   and name CA     )      1  180.00  10.00 2	

! S36 
assign 
      (resid    36   and name CA     )
      (resid    36   and name C    )
      (resid    37   and name N     )
      (resid    37   and name CA     )      1  180.00  10.00 2	

! H37 
assign 
      (resid    37   and name CA     )
      (resid    37   and name C    )
      (resid    38   and name N     )
      (resid    38   and name CA     )      1  180.00  10.00 2	

! N38 
assign 
      (resid    38   and name CA     )
      (resid    38   and name C    )
      (resid    39   and name N     )
      (resid    39   and name CA     )      1  180.00  10.00 2	

! R39 
assign 
      (resid    39   and name CA     )
      (resid    39   and name C    )
      (resid    40   and name N     )
      (resid    40   and name CA     )      1  180.00  10.00 2	

! K40 
assign 
      (resid    40   and name CA     )
      (resid    40   and name C    )
      (resid    41   and name N     )
      (resid    41   and name CA     )      1  180.00  10.00 2	

! I41 
assign 
      (resid    41   and name CA     )
      (resid    41   and name C    )
      (resid    42   and name N     )
      (resid    42   and name CA     )      1  180.00  10.00 2	

! E42 
assign 
      (resid    42   and name CA     )
      (resid    42   and name C    )
      (resid    43   and name N     )
      (resid    43   and name CA     )      1  180.00  10.00 2	

! L43 
assign 
      (resid    43   and name CA     )
      (resid    43   and name C    )
      (resid    44   and name N     )
      (resid    44   and name CA     )      1  180.00  10.00 2	

! N44 
assign 
      (resid    44   and name CA     )
      (resid    44   and name C    )
      (resid    45   and name N     )
      (resid    45   and name CA     )      1  180.00  10.00 2	

! V45 
assign 
      (resid    45   and name CA     )
      (resid    45   and name C    )
      (resid    46   and name N     )
      (resid    46   and name CA     )      1  180.00  10.00 2	

! C46 
assign 
      (resid    46   and name CA     )
      (resid    46   and name C    )
      (resid    47   and name N     )
      (resid    47   and name CA     )      1  180.00  10.00 2	

! A47 
assign 
      (resid    47   and name CA     )
      (resid    47   and name C    )
      (resid    48   and name N     )
      (resid    48   and name CA     )      1  180.00  10.00 2	

! E48 
assign 
      (resid    48   and name CA     )
      (resid    48   and name C    )
      (resid    49   and name N     )
      (resid    49   and name CA     )      1  180.00  10.00 2	

! A49 
assign 
      (resid    49   and name CA     )
      (resid    49   and name C    )
      (resid    50   and name N     )
      (resid    50   and name CA     )      1  180.00  10.00 2	

! K50 
assign 
      (resid    50   and name CA     )
      (resid    50   and name C    )
      (resid    51   and name N     )
      (resid    51   and name CA     )      1  180.00  10.00 2	

! S51 
assign 
      (resid    51   and name CA     )
      (resid    51   and name C    )
      (resid    52   and name N     )
      (resid    52   and name CA     )      1  180.00  10.00 2	

! S52 
assign 
      (resid    52   and name CA     )
      (resid    52   and name C    )
      (resid    53   and name N     )
      (resid    53   and name CA     )      1  180.00  10.00 2	

! C53 
assign 
      (resid    53   and name CA     )
      (resid    53   and name C    )
      (resid    54   and name N     )
      (resid    54   and name CA     )      1  180.00  10.00 2	

! A54 
assign 
      (resid    54   and name CA     )
      (resid    54   and name C    )
      (resid    55   and name N     )
      (resid    55   and name CA     )      1  180.00  10.00 2	

! N55 
assign 
      (resid    55   and name CA     )
      (resid    55   and name C    )
      (resid    56   and name N     )
      (resid    56   and name CA     )      1  180.00  10.00 2	

! G56 
assign 
      (resid    56   and name CA     )
      (resid    56   and name C    )
      (resid    57   and name N     )
      (resid    57   and name CA     )      1  180.00  10.00 2	

! A57 
assign 
      (resid    57   and name CA     )
      (resid    57   and name C    )
      (resid    58   and name N     )
      (resid    58   and name CA     )      1  180.00  10.00 2	

! A58 
assign 
      (resid    58   and name CA     )
      (resid    58   and name C    )
      (resid    59   and name N     )
      (resid    59   and name CA     )      1  180.00  10.00 2	

! V59 
assign 
      (resid    59   and name CA     )
      (resid    59   and name C    )
      (resid    60   and name N     )
      (resid    60   and name CA     )      1  180.00  10.00 2	

! C60 
assign 
      (resid    60   and name CA     )
      (resid    60   and name C    )
      (resid    61   and name N     )
      (resid    61   and name CA     )      1  180.00  10.00 2	

! I61 
assign 
      (resid    61   and name CA     )
      (resid    61   and name C    )
      (resid    62   and name N     )
      (resid    62   and name CA     )      1  180.00  10.00 2	

! T62 
assign 
      (resid    62   and name CA     )
      (resid    62   and name C    )
      (resid    63   and name N     )
      (resid    63   and name CA     )      1  180.00  10.00 2	

! D63 
assign 
      (resid    63   and name CA     )
      (resid    63   and name C    )
      (resid    64   and name N     )
      (resid    64   and name CA     )      1  180.00  10.00 2	

! G64 
assign 
      (resid    64   and name CA     )
      (resid    64   and name C    )
      (resid    65   and name N     )
      (resid    65   and name CA     )      1  180.00  10.00 2	

! P65 
assign 
      (resid    65   and name CA     )
      (resid    65   and name C    )
      (resid    66   and name N     )
      (resid    66   and name CA     )      1  180.00  10.00 2	

! K66 
assign 
      (resid    66   and name CA     )
      (resid    66   and name C    )
      (resid    67   and name N     )
      (resid    67   and name CA     )      1  180.00  10.00 2	

! T67 
assign 
      (resid    67   and name CA     )
      (resid    67   and name C    )
      (resid    68   and name N     )
      (resid    68   and name CA     )      1  180.00  10.00 2	

! L68 
assign 
      (resid    68   and name CA     )
      (resid    68   and name C    )
      (resid    69   and name N     )
      (resid    69   and name CA     )      1  180.00  10.00 2	

! N69 
assign 
      (resid    69   and name CA     )
      (resid    69   and name C    )
      (resid    70   and name N     )
      (resid    70   and name CA     )      1  180.00  10.00 2	

! A70 
assign 
      (resid    70   and name CA     )
      (resid    70   and name C    )
      (resid    71   and name N     )
      (resid    71   and name CA     )      1  180.00  10.00 2	

! G71 
assign 
      (resid    71   and name CA     )
      (resid    71   and name C    )
      (resid    72   and name N     )
      (resid    72   and name CA     )      1  180.00  10.00 2	

! K72 
assign 
      (resid    72   and name CA     )
      (resid    72   and name C    )
      (resid    73   and name N     )
      (resid    73   and name CA     )      1  180.00  10.00 2	

! L73 
assign 
      (resid    73   and name CA     )
      (resid    73   and name C    )
      (resid    74   and name N     )
      (resid    74   and name CA     )      1  180.00  10.00 2	

! S74 
assign 
      (resid    74   and name CA     )
      (resid    74   and name C    )
      (resid    75   and name N     )
      (resid    75   and name CA     )      1  180.00  10.00 2	

! K75 
assign 
      (resid    75   and name CA     )
      (resid    75   and name C    )
      (resid    76   and name N     )
      (resid    76   and name CA     )      1  180.00  10.00 2	

! T76 
assign 
      (resid    76   and name CA     )
      (resid    76   and name C    )
      (resid    77   and name N     )
      (resid    77   and name CA     )      1  180.00  10.00 2	

! L77 
assign 
      (resid    77   and name CA     )
      (resid    77   and name C    )
      (resid    78   and name N     )
      (resid    78   and name CA     )      1  180.00  10.00 2	

! T78 
assign 
      (resid    78   and name CA     )
      (resid    78   and name C    )
      (resid    79   and name N     )
      (resid    79   and name CA     )      1  180.00  10.00 2	

! Y79 
assign 
      (resid    79   and name CA     )
      (resid    79   and name C    )
      (resid    80   and name N     )
      (resid    80   and name CA     )      1  180.00  10.00 2	

! E80 
assign 
      (resid    80   and name CA     )
      (resid    80   and name C    )
      (resid    81   and name N     )
      (resid    81   and name CA     )      1  180.00  10.00 2	

! D81 
assign 
      (resid    81   and name CA     )
      (resid    81   and name C    )
      (resid    82   and name N     )
      (resid    82   and name CA     )      1  180.00  10.00 2	

! Q82 
assign 
      (resid    82   and name CA     )
      (resid    82   and name C    )
      (resid    83   and name N     )
      (resid    83   and name CA     )      1  180.00  10.00 2	

! V83 
assign 
      (resid    83   and name CA     )
      (resid    83   and name C    )
      (resid    84   and name N     )
      (resid    84   and name CA     )      1  180.00  10.00 2	

! L84 
assign 
      (resid    84   and name CA     )
      (resid    84   and name C    )
      (resid    85   and name N     )
      (resid    85   and name CA     )      1  180.00  10.00 2	

! K85 
assign 
      (resid    85   and name CA     )
      (resid    85   and name C    )
      (resid    86   and name N     )
      (resid    86   and name CA     )      1  180.00  10.00 2	

! L86 
assign 
      (resid    86   and name CA     )
      (resid    86   and name C    )
      (resid    87   and name N     )
      (resid    87   and name CA     )      1  180.00  10.00 2	

! V87 
assign 
      (resid    87   and name CA     )
      (resid    87   and name C    )
      (resid    88   and name N     )
      (resid    88   and name CA     )      1  180.00  10.00 2	

! Y88 
assign 
      (resid    88   and name CA     )
      (resid    88   and name C    )
      (resid    89   and name N     )
      (resid    89   and name CA     )      1  180.00  10.00 2	

! E89 
assign 
      (resid    89   and name CA     )
      (resid    89   and name C    )
      (resid    90   and name N     )
      (resid    90   and name CA     )      1  180.00  10.00 2	

! D90 
assign 
      (resid    90   and name CA     )
      (resid    90   and name C    )
      (resid    91   and name N     )
      (resid    91   and name CA     )      1  180.00  10.00 2	

! G91 
assign 
      (resid    91   and name CA     )
      (resid    91   and name C    )
      (resid    92   and name N     )
      (resid    92   and name CA     )      1  180.00  10.00 2	

! D92 
assign 
      (resid    92   and name CA     )
      (resid    92   and name C    )
      (resid    93   and name N     )
      (resid    93   and name CA     )      1  180.00  10.00 2	

! P93 
assign 
      (resid    93   and name CA     )
      (resid    93   and name C    )
      (resid    94   and name N     )
      (resid    94   and name CA     )      1  180.00  10.00 2	

! C94 
assign 
      (resid    94   and name CA     )
      (resid    94   and name C    )
      (resid    95   and name N     )
      (resid    95   and name CA     )      1  180.00  10.00 2	

! P95 
assign 
      (resid    95   and name CA     )
      (resid    95   and name C    )
      (resid    96   and name N     )
      (resid    96   and name CA     )      1  180.00  10.00 2	

! T96 
assign 
      (resid    96   and name CA     )
      (resid    96   and name C    )
      (resid    97   and name N     )
      (resid    97   and name CA     )      1  180.00  10.00 2	

! D97 
assign 
      (resid    97   and name CA     )
      (resid    97   and name C    )
      (resid    98   and name N     )
      (resid    98   and name CA     )      1  180.00  10.00 2	

! L98 
assign 
      (resid    98   and name CA     )
      (resid    98   and name C    )
      (resid    99   and name N     )
      (resid    99   and name CA     )      1  180.00  10.00 2	

! K99 
assign 
      (resid    99   and name CA     )
      (resid    99   and name C    )
      (resid    100   and name N     )
      (resid    100   and name CA     )      1  180.00  10.00 2	

! M100 
assign 
      (resid    100   and name CA     )
      (resid    100   and name C    )
      (resid    101   and name N     )
      (resid    101   and name CA     )      1  180.00  10.00 2	

! K101 
assign 
      (resid    101   and name CA     )
      (resid    101   and name C    )
      (resid    102   and name N     )
      (resid    102   and name CA     )      1  180.00  10.00 2	

! H102 
assign 
      (resid    102   and name CA     )
      (resid    102   and name C    )
      (resid    103   and name N     )
      (resid    103   and name CA     )      1  180.00  10.00 2	

! K103 
assign 
      (resid    103   and name CA     )
      (resid    103   and name C    )
      (resid    104   and name N     )
      (resid    104   and name CA     )      1  180.00  10.00 2	

! S104 
assign 
      (resid    104   and name CA     )
      (resid    104   and name C    )
      (resid    105   and name N     )
      (resid    105   and name CA     )      1  180.00  10.00 2	

! Y105 
assign 
      (resid    105   and name CA     )
      (resid    105   and name C    )
      (resid    106   and name N     )
      (resid    106   and name CA     )      1  180.00  10.00 2	

! F106 
assign 
      (resid    106   and name CA     )
      (resid    106   and name C    )
      (resid    107   and name N     )
      (resid    107   and name CA     )      1  180.00  10.00 2	

! S107 
assign 
      (resid    107   and name CA     )
      (resid    107   and name C    )
      (resid    108   and name N     )
      (resid    108   and name CA     )      1  180.00  10.00 2	

! F108 
assign 
      (resid    108   and name CA     )
      (resid    108   and name C    )
      (resid    109   and name N     )
      (resid    109   and name CA     )      1  180.00  10.00 2	

! V109 
assign 
      (resid    109   and name CA     )
      (resid    109   and name C    )
      (resid    110   and name N     )
      (resid    110   and name CA     )      1  180.00  10.00 2	

! C110 
assign 
      (resid    110   and name CA     )
      (resid    110   and name C    )
      (resid    111   and name N     )
      (resid    111   and name CA     )      1  180.00  10.00 2	

! K111 
assign 
      (resid    111   and name CA     )
      (resid    111   and name C    )
      (resid    112   and name N     )
      (resid    112   and name CA     )      1  180.00  10.00 2	

! S112 
assign 
      (resid    112   and name CA     )
      (resid    112   and name C    )
      (resid    113   and name N     )
      (resid    113   and name CA     )      1  180.00  10.00 2	

! D113 
assign 
      (resid    113   and name CA     )
      (resid    113   and name C    )
      (resid    114   and name N     )
      (resid    114   and name CA     )      1  180.00  10.00 2	

! A114 
assign 
      (resid    114   and name CA     )
      (resid    114   and name C    )
      (resid    115   and name N     )
      (resid    115   and name CA     )      1  180.00  10.00 2	

! G115 
assign 
      (resid    115   and name CA     )
      (resid    115   and name C    )
      (resid    116   and name N     )
      (resid    116   and name CA     )      1  180.00  10.00 2	

! D116 
assign 
      (resid    116   and name CA     )
      (resid    116   and name C    )
      (resid    117   and name N     )
      (resid    117   and name CA     )      1  180.00  10.00 2	

! D117 
assign 
      (resid    117   and name CA     )
      (resid    117   and name C    )
      (resid    118   and name N     )
      (resid    118   and name CA     )      1  180.00  10.00 2	

! S118 
assign 
      (resid    118   and name CA     )
      (resid    118   and name C    )
      (resid    119   and name N     )
      (resid    119   and name CA     )      1  180.00  10.00 2	

! Q119 
assign 
      (resid    119   and name CA     )
      (resid    119   and name C    )
      (resid    120   and name N     )
      (resid    120   and name CA     )      1  180.00  10.00 2	

! P120 
assign 
      (resid    120   and name CA     )
      (resid    120   and name C    )
      (resid    121   and name N     )
      (resid    121   and name CA     )      1  180.00  10.00 2	

! V121 
assign 
      (resid    121   and name CA     )
      (resid    121   and name C    )
      (resid    122   and name N     )
      (resid    122   and name CA     )      1  180.00  10.00 2	

! F122 
assign 
      (resid    122   and name CA     )
      (resid    122   and name C    )
      (resid    123   and name N     )
      (resid    123   and name CA     )      1  180.00  10.00 2	

! L123 
assign 
      (resid    123   and name CA     )
      (resid    123   and name C    )
      (resid    124   and name N     )
      (resid    124   and name CA     )      1  180.00  10.00 2	

! S124 
assign 
      (resid    124   and name CA     )
      (resid    124   and name C    )
      (resid    125   and name N     )
      (resid    125   and name CA     )      1  180.00  10.00 2	

! F125 
assign 
      (resid    125   and name CA     )
      (resid    125   and name C    )
      (resid    126   and name N     )
      (resid    126   and name CA     )      1  180.00  10.00 2	

! D126 
assign 
      (resid    126   and name CA     )
      (resid    126   and name C    )
      (resid    127   and name N     )
      (resid    127   and name CA     )      1  180.00  10.00 2	

! E127 
assign 
      (resid    127   and name CA     )
      (resid    127   and name C    )
      (resid    128   and name N     )
      (resid    128   and name CA     )      1  180.00  10.00 2	

! Q128 
assign 
      (resid    128   and name CA     )
      (resid    128   and name C    )
      (resid    129   and name N     )
      (resid    129   and name CA     )      1  180.00  10.00 2	

! T129 
assign 
      (resid    129   and name CA     )
      (resid    129   and name C    )
      (resid    130   and name N     )
      (resid    130   and name CA     )      1  180.00  10.00 2	

! C130 
assign 
      (resid    130   and name CA     )
      (resid    130   and name C    )
      (resid    131   and name N     )
      (resid    131   and name CA     )      1  180.00  10.00 2	

! T131 
assign 
      (resid    131   and name CA     )
      (resid    131   and name C    )
      (resid    132   and name N     )
      (resid    132   and name CA     )      1  180.00  10.00 2	

! S132 
assign 
      (resid    132   and name CA     )
      (resid    132   and name C    )
      (resid    133   and name N     )
      (resid    133   and name CA     )      1  180.00  10.00 2	

! Y133 
assign 
      (resid    133   and name CA     )
      (resid    133   and name C    )
      (resid    134   and name N     )
      (resid    134   and name CA     )      1  180.00  10.00 2	

! F134 
assign 
      (resid    134   and name CA     )
      (resid    134   and name C    )
      (resid    135   and name N     )
      (resid    135   and name CA     )      1  180.00  10.00 2	

! S135 
assign 
      (resid    135   and name CA     )
      (resid    135   and name C    )
      (resid    136   and name N     )
      (resid    136   and name CA     )      1  180.00  10.00 2	

! W136 
assign 
      (resid    136   and name CA     )
      (resid    136   and name C    )
      (resid    137   and name N     )
      (resid    137   and name CA     )      1  180.00  10.00 2	

! H137 
assign 
      (resid    137   and name CA     )
      (resid    137   and name C    )
      (resid    138   and name N     )
      (resid    138   and name CA     )      1  180.00  10.00 2	

! T138 
assign 
      (resid    138   and name CA     )
      (resid    138   and name C    )
      (resid    139   and name N     )
      (resid    139   and name CA     )      1  180.00  10.00 2	

! S139 
assign 
      (resid    139   and name CA     )
      (resid    139   and name C    )
      (resid    140   and name N     )
      (resid    140   and name CA     )      1  180.00  10.00 2	

! L140 
assign 
      (resid    140   and name CA     )
      (resid    140   and name C    )
      (resid    141   and name N     )
      (resid    141   and name CA     )      1  180.00  10.00 2	

! A141 
assign 
      (resid    141   and name CA     )
      (resid    141   and name C    )
      (resid    142   and name N     )
      (resid    142   and name CA     )      1  180.00  10.00 2	

! C142 
assign 
      (resid    142   and name CA     )
      (resid    142   and name C    )
      (resid    143   and name N     )
      (resid    143   and name CA     )      1  180.00  10.00 2	

! E143 
assign 
      (resid    143   and name CA     )
      (resid    143   and name C    )
      (resid    144   and name N     )
      (resid    144   and name CA     )      1  180.00  10.00 2	

! E144 
assign 
      (resid    144   and name CA     )
      (resid    144   and name C    )
      (resid    145   and name N     )
      (resid    145   and name CA     )      1  180.00  10.00 2	

! E145 
assign 
      (resid    145   and name CA     )
      (resid    145   and name C    )
      (resid    146   and name N     )
      (resid    146   and name CA     )      1  180.00  10.00 2	

! V146 
assign 
      (resid    146   and name CA     )
      (resid    146   and name C    )
      (resid    147   and name N     )
      (resid    147   and name CA     )      1  180.00  10.00 2	

! P147 
assign 
      (resid    147   and name CA     )
      (resid    147   and name C    )
      (resid    148   and name N     )
      (resid    148   and name CA     )      1  180.00  10.00 2	

! R148 
assign 
      (resid    148   and name CA     )
      (resid    148   and name C    )
      (resid    149   and name N     )
      (resid    149   and name CA     )      1  180.00  10.00 2	

! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /home/chxcw/Structure_calc/Chicken/aria_jade/chk_talos_pred_101208.tab
!
! settings: min phiError=30.0, min psiError=30.0, errorFactor=2.0
!

! Talos derived phi restraint:
assign (resid   9 and name C)
       (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       1.0 -143  34 2

! Talos derived phi restraint:
assign (resid  10 and name C)
       (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       1.0 -132  40 2

! Talos derived phi restraint:
assign (resid  11 and name C)
       (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       1.0 -120  30 2

! Talos derived phi restraint:
assign (resid  12 and name C)
       (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       1.0 -101  62 2

! Talos derived phi restraint:
assign (resid  13 and name C)
       (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       1.0 -60  30 2

! Talos derived phi restraint:
assign (resid  14 and name C)
       (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       1.0 -72  30 2

! Talos derived phi restraint:
assign (resid  15 and name C)
       (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       1.0 -107  32 2

! Talos derived phi restraint:
assign (resid  17 and name C)
       (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       1.0 -80  30 2

! Talos derived phi restraint:
assign (resid  18 and name C)
       (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       1.0 -108  50 2

! Talos derived phi restraint:
assign (resid  19 and name C)
       (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       1.0 -125  30 2

! Talos derived phi restraint:
assign (resid  20 and name C)
       (resid  21 and name N)
       (resid  21 and name CA)
       (resid  21 and name C)
       1.0 -105  45 2

! Talos derived phi restraint:
assign (resid  22 and name C)
       (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       1.0 -62  30 2

! Talos derived phi restraint:
assign (resid  23 and name C)
       (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       1.0 -61  30 2

! Talos derived phi restraint:
assign (resid  24 and name C)
       (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       1.0 -79  30 2

! Talos derived phi restraint:
assign (resid  25 and name C)
       (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       1.0 -74  30 2

! Talos derived phi restraint:
assign (resid  27 and name C)
       (resid  28 and name N)
       (resid  28 and name CA)
       (resid  28 and name C)
       1.0 -62  30 2

! Talos derived phi restraint:
assign (resid  30 and name C)
       (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       1.0 -105  39 2

! Talos derived phi restraint:
assign (resid  31 and name C)
       (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       1.0 -108  34 2

! Talos derived phi restraint:
assign (resid  32 and name C)
       (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       1.0 -131  35 2

! Talos derived phi restraint:
assign (resid  33 and name C)
       (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       1.0 -126  35 2

! Talos derived phi restraint:
assign (resid  34 and name C)
       (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       1.0 -89  30 2

! Talos derived phi restraint:
assign (resid  35 and name C)
       (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       1.0 -61  30 2

! Talos derived phi restraint:
assign (resid  39 and name C)
       (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       1.0 -111  49 2

! Talos derived phi restraint:
assign (resid  40 and name C)
       (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       1.0 -112  30 2

! Talos derived phi restraint:
assign (resid  41 and name C)
       (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       1.0 -117  30 2

! Talos derived phi restraint:
assign (resid  42 and name C)
       (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       1.0 -129  30 2

! Talos derived phi restraint:
assign (resid  43 and name C)
       (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       1.0 -127  35 2

! CSI derived phi restraint:
assign (resid  54 and name C)
       (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       1.0 -65  55 2

! CSI derived phi restraint:
assign (resid  55 and name C)
       (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       1.0 -65  50 2

! CSI derived phi restraint:
assign (resid  56 and name C)
       (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       1.0 -65  45 2

! Talos derived phi restraint:
assign (resid  58 and name C)
       (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       1.0 -126  30 2

! Talos derived phi restraint:
assign (resid  59 and name C)
       (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       1.0 -109  30 2

! Talos derived phi restraint:
assign (resid  60 and name C)
       (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       1.0 -115  36 2

! Talos derived phi restraint:
assign (resid  61 and name C)
       (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       1.0 -119  37 2

! Talos derived phi restraint:
assign (resid  62 and name C)
       (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       1.0 -122  41 2

! Talos derived phi restraint:
assign (resid  65 and name C)
       (resid  66 and name N)
       (resid  66 and name CA)
       (resid  66 and name C)
       1.0 -109  34 2

! Talos derived phi restraint:
assign (resid  66 and name C)
       (resid  67 and name N)
       (resid  67 and name CA)
       (resid  67 and name C)
       1.0 -105  34 2

! Talos derived phi restraint:
assign (resid  67 and name C)
       (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       1.0 -117  50 2

! Talos derived phi restraint:
assign (resid  68 and name C)
       (resid  69 and name N)
       (resid  69 and name CA)
       (resid  69 and name C)
       1.0 -99  55 2

! Talos derived phi restraint:
assign (resid  73 and name C)
       (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       1.0 -115  52 2

! Talos derived phi restraint:
assign (resid  75 and name C)
       (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       1.0 -107  42 2

! Talos derived phi restraint:
assign (resid  76 and name C)
       (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       1.0 -104  37 2

! Talos derived phi restraint:
assign (resid  77 and name C)
       (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       1.0 -122  35 2

! Talos derived phi restraint:
assign (resid  78 and name C)
       (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       1.0 -106  41 2

! Talos derived phi restraint:
assign (resid  79 and name C)
       (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       1.0 -124  44 2

! Talos derived phi restraint:
assign (resid  81 and name C)
       (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       1.0  64  30 2

! Talos derived phi restraint:
assign (resid  82 and name C)
       (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       1.0 -119  41 2

! Talos derived phi restraint:
assign (resid  83 and name C)
       (resid  84 and name N)
       (resid  84 and name CA)
       (resid  84 and name C)
       1.0 -118  35 2

! Talos derived phi restraint:
assign (resid  84 and name C)
       (resid  85 and name N)
       (resid  85 and name CA)
       (resid  85 and name C)
       1.0 -126  30 2

! Talos derived phi restraint:
assign (resid  85 and name C)
       (resid  86 and name N)
       (resid  86 and name CA)
       (resid  86 and name C)
       1.0 -142  30 2

! Talos derived phi restraint:
assign (resid  86 and name C)
       (resid  87 and name N)
       (resid  87 and name CA)
       (resid  87 and name C)
       1.0 -135  30 2

! Talos derived phi restraint:
assign (resid  87 and name C)
       (resid  88 and name N)
       (resid  88 and name CA)
       (resid  88 and name C)
       1.0 -116  35 2

! Talos derived phi restraint:
assign (resid  88 and name C)
       (resid  89 and name N)
       (resid  89 and name CA)
       (resid  89 and name C)
       1.0 -109  38 2

! Talos derived phi restraint:
assign (resid  93 and name C)
       (resid  94 and name N)
       (resid  94 and name CA)
       (resid  94 and name C)
       1.0 -108  40 2

! Talos derived phi restraint:
assign (resid  94 and name C)
       (resid  95 and name N)
       (resid  95 and name CA)
       (resid  95 and name C)
       1.0 -58  30 2

! Talos derived phi restraint:
assign (resid  95 and name C)
       (resid  96 and name N)
       (resid  96 and name CA)
       (resid  96 and name C)
       1.0 -75  30 2

! Talos derived phi restraint:
assign (resid  97 and name C)
       (resid  98 and name N)
       (resid  98 and name CA)
       (resid  98 and name C)
       1.0 -65  30 2

! Talos derived phi restraint:
assign (resid 100 and name C)
       (resid 101 and name N)
       (resid 101 and name CA)
       (resid 101 and name C)
       1.0 -91  38 2

! Talos derived phi restraint:
assign (resid 103 and name C)
       (resid 104 and name N)
       (resid 104 and name CA)
       (resid 104 and name C)
       1.0 -128  34 2

! Talos derived phi restraint:
assign (resid 104 and name C)
       (resid 105 and name N)
       (resid 105 and name CA)
       (resid 105 and name C)
       1.0 -116  35 2

! Talos derived phi restraint:
assign (resid 105 and name C)
       (resid 106 and name N)
       (resid 106 and name CA)
       (resid 106 and name C)
       1.0 -138  30 2

! Talos derived phi restraint:
assign (resid 106 and name C)
       (resid 107 and name N)
       (resid 107 and name CA)
       (resid 107 and name C)
       1.0 -107  31 2

! Talos derived phi restraint:
assign (resid 107 and name C)
       (resid 108 and name N)
       (resid 108 and name CA)
       (resid 108 and name C)
       1.0 -112  33 2

! Talos derived phi restraint:
assign (resid 108 and name C)
       (resid 109 and name N)
       (resid 109 and name CA)
       (resid 109 and name C)
       1.0 -127  30 2

! Talos derived phi restraint:
assign (resid 109 and name C)
       (resid 110 and name N)
       (resid 110 and name CA)
       (resid 110 and name C)
       1.0 -78  30 2

! Talos derived phi restraint:
assign (resid 110 and name C)
       (resid 111 and name N)
       (resid 111 and name CA)
       (resid 111 and name C)
       1.0 -101  38 2

! Talos derived phi restraint:
assign (resid 118 and name C)
       (resid 119 and name N)
       (resid 119 and name CA)
       (resid 119 and name C)
       1.0 -106  58 2

! Talos derived phi restraint:
assign (resid 120 and name C)
       (resid 121 and name N)
       (resid 121 and name CA)
       (resid 121 and name C)
       1.0 -120  50 2

! Talos derived phi restraint:
assign (resid 121 and name C)
       (resid 122 and name N)
       (resid 122 and name CA)
       (resid 122 and name C)
       1.0 -81  30 2

! Talos derived phi restraint:
assign (resid 123 and name C)
       (resid 124 and name N)
       (resid 124 and name CA)
       (resid 124 and name C)
       1.0 -158  48 2

! Talos derived phi restraint:
assign (resid 124 and name C)
       (resid 125 and name N)
       (resid 125 and name CA)
       (resid 125 and name C)
       1.0 -122  38 2

! Talos derived phi restraint:
assign (resid 125 and name C)
       (resid 126 and name N)
       (resid 126 and name CA)
       (resid 126 and name C)
       1.0 -118  40 2

! Talos derived phi restraint:
assign (resid 126 and name C)
       (resid 127 and name N)
       (resid 127 and name CA)
       (resid 127 and name C)
       1.0 -62  30 2

! Talos derived phi restraint:
assign (resid 127 and name C)
       (resid 128 and name N)
       (resid 128 and name CA)
       (resid 128 and name C)
       1.0 -71  30 2

! Talos derived phi restraint:
assign (resid 129 and name C)
       (resid 130 and name N)
       (resid 130 and name CA)
       (resid 130 and name C)
       1.0  58  30 2

! Talos derived phi restraint:
assign (resid 131 and name C)
       (resid 132 and name N)
       (resid 132 and name CA)
       (resid 132 and name C)
       1.0 -122  52 2

! Talos derived phi restraint:
assign (resid 132 and name C)
       (resid 133 and name N)
       (resid 133 and name CA)
       (resid 133 and name C)
       1.0 -107  48 2

! Talos derived phi restraint:
assign (resid 133 and name C)
       (resid 134 and name N)
       (resid 134 and name CA)
       (resid 134 and name C)
       1.0 -123  30 2

! Talos derived phi restraint:
assign (resid 134 and name C)
       (resid 135 and name N)
       (resid 135 and name CA)
       (resid 135 and name C)
       1.0 -128  36 2

! Talos derived phi restraint:
assign (resid 135 and name C)
       (resid 136 and name N)
       (resid 136 and name CA)
       (resid 136 and name C)
       1.0 -135  35 2

! Talos derived phi restraint:
assign (resid 136 and name C)
       (resid 137 and name N)
       (resid 137 and name CA)
       (resid 137 and name C)
       1.0 -107  30 2

! Talos derived phi restraint:
assign (resid 137 and name C)
       (resid 138 and name N)
       (resid 138 and name CA)
       (resid 138 and name C)
       1.0 -108  36 2

! Talos derived phi restraint:
assign (resid 141 and name C)
       (resid 142 and name N)
       (resid 142 and name CA)
       (resid 142 and name C)
       1.0 -98  50 2

! Talos derived phi restraint:
assign (resid 145 and name C)
       (resid 146 and name N)
       (resid 146 and name CA)
       (resid 146 and name C)
       1.0 -105  59 2

! Talos derived psi restraint:
assign (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       (resid  11 and name N)
       1.0 135  30 2

! Talos derived psi restraint:
assign (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       (resid  12 and name N)
       1.0 132  36 2

! Talos derived psi restraint:
assign (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       (resid  13 and name N)
       1.0 137  30 2

! Talos derived psi restraint:
assign (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       (resid  14 and name N)
       1.0 150  56 2

! Talos derived psi restraint:
assign (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       (resid  15 and name N)
       1.0 -24  30 2

! Talos derived psi restraint:
assign (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       (resid  16 and name N)
       1.0 -33  30 2

! Talos derived psi restraint:
assign (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       (resid  17 and name N)
       1.0  -9  35 2

! Talos derived psi restraint:
assign (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       (resid  19 and name N)
       1.0 126  35 2

! Talos derived psi restraint:
assign (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       (resid  20 and name N)
       1.0 122  30 2

! Talos derived psi restraint:
assign (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       (resid  21 and name N)
       1.0 134  30 2

! Talos derived psi restraint:
assign (resid  21 and name N)
       (resid  21 and name CA)
       (resid  21 and name C)
       (resid  22 and name N)
       1.0 138  30 2

! Talos derived psi restraint:
assign (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       (resid  24 and name N)
       1.0 -38  30 2

! Talos derived psi restraint:
assign (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       (resid  25 and name N)
       1.0 -36  30 2

! Talos derived psi restraint:
assign (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       (resid  26 and name N)
       1.0 -19  32 2

! Talos derived psi restraint:
assign (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       (resid  27 and name N)
       1.0 139  35 2

! Talos derived psi restraint:
assign (resid  28 and name N)
       (resid  28 and name CA)
       (resid  28 and name C)
       (resid  29 and name N)
       1.0 -20  30 2

! Talos derived psi restraint:
assign (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       (resid  32 and name N)
       1.0 142  35 2

! Talos derived psi restraint:
assign (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       (resid  33 and name N)
       1.0 143  34 2

! Talos derived psi restraint:
assign (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       (resid  34 and name N)
       1.0 153  35 2

! Talos derived psi restraint:
assign (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       (resid  35 and name N)
       1.0 140  30 2

! Talos derived psi restraint:
assign (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       (resid  36 and name N)
       1.0 165  41 2

! Talos derived psi restraint:
assign (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       (resid  37 and name N)
       1.0 -21  30 2

! Talos derived psi restraint:
assign (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       (resid  41 and name N)
       1.0 118  42 2

! Talos derived psi restraint:
assign (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       (resid  42 and name N)
       1.0 117  30 2

! Talos derived psi restraint:
assign (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       (resid  43 and name N)
       1.0 139  36 2

! Talos derived psi restraint:
assign (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       (resid  44 and name N)
       1.0 148  30 2

! Talos derived psi restraint:
assign (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       (resid  45 and name N)
       1.0 135  35 2

! CSI derived psi restraint:
assign (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       (resid  55 and name N)
       1.0 -35  55 2

! CSI derived psi restraint:
assign (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       (resid  56 and name N)
       1.0 -35  50 2

! CSI derived psi restraint:
assign (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       (resid  57 and name N)
       1.0 -35  45 2

! Talos derived psi restraint:
assign (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       (resid  60 and name N)
       1.0 152  34 2

! Talos derived psi restraint:
assign (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       (resid  61 and name N)
       1.0 126  30 2

! Talos derived psi restraint:
assign (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       (resid  62 and name N)
       1.0 121  30 2

! Talos derived psi restraint:
assign (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       (resid  63 and name N)
       1.0 122  30 2

! Talos derived psi restraint:
assign (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       (resid  64 and name N)
       1.0 126  30 2

! Talos derived psi restraint:
assign (resid  66 and name N)
       (resid  66 and name CA)
       (resid  66 and name C)
       (resid  67 and name N)
       1.0 126  42 2

! Talos derived psi restraint:
assign (resid  67 and name N)
       (resid  67 and name CA)
       (resid  67 and name C)
       (resid  68 and name N)
       1.0 136  30 2

! Talos derived psi restraint:
assign (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       (resid  69 and name N)
       1.0 131  35 2

! Talos derived psi restraint:
assign (resid  69 and name N)
       (resid  69 and name CA)
       (resid  69 and name C)
       (resid  70 and name N)
       1.0 123  30 2

! Talos derived psi restraint:
assign (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       (resid  75 and name N)
       1.0 135  32 2

! Talos derived psi restraint:
assign (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       (resid  77 and name N)
       1.0 123  30 2

! Talos derived psi restraint:
assign (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       (resid  78 and name N)
       1.0 139  32 2

! Talos derived psi restraint:
assign (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       (resid  79 and name N)
       1.0 142  44 2

! Talos derived psi restraint:
assign (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       (resid  80 and name N)
       1.0 123  30 2

! Talos derived psi restraint:
assign (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       (resid  81 and name N)
       1.0 130  32 2

! Talos derived psi restraint:
assign (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       (resid  83 and name N)
       1.0  17  30 2

! Talos derived psi restraint:
assign (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       (resid  84 and name N)
       1.0 144  31 2

! Talos derived psi restraint:
assign (resid  84 and name N)
       (resid  84 and name CA)
       (resid  84 and name C)
       (resid  85 and name N)
       1.0 129  30 2

! Talos derived psi restraint:
assign (resid  85 and name N)
       (resid  85 and name CA)
       (resid  85 and name C)
       (resid  86 and name N)
       1.0 141  35 2

! Talos derived psi restraint:
assign (resid  86 and name N)
       (resid  86 and name CA)
       (resid  86 and name C)
       (resid  87 and name N)
       1.0 143  30 2

! Talos derived psi restraint:
assign (resid  87 and name N)
       (resid  87 and name CA)
       (resid  87 and name C)
       (resid  88 and name N)
       1.0 125  30 2

! Talos derived psi restraint:
assign (resid  88 and name N)
       (resid  88 and name CA)
       (resid  88 and name C)
       (resid  89 and name N)
       1.0 126  30 2

! Talos derived psi restraint:
assign (resid  89 and name N)
       (resid  89 and name CA)
       (resid  89 and name C)
       (resid  90 and name N)
       1.0 159  35 2

! Talos derived psi restraint:
assign (resid  94 and name N)
       (resid  94 and name CA)
       (resid  94 and name C)
       (resid  95 and name N)
       1.0 131  78 2

! Talos derived psi restraint:
assign (resid  95 and name N)
       (resid  95 and name CA)
       (resid  95 and name C)
       (resid  96 and name N)
       1.0 -29  30 2

! Talos derived psi restraint:
assign (resid  96 and name N)
       (resid  96 and name CA)
       (resid  96 and name C)
       (resid  97 and name N)
       1.0 -25  32 2

! Talos derived psi restraint:
assign (resid  98 and name N)
       (resid  98 and name CA)
       (resid  98 and name C)
       (resid  99 and name N)
       1.0 -38  30 2

! Talos derived psi restraint:
assign (resid 101 and name N)
       (resid 101 and name CA)
       (resid 101 and name C)
       (resid 102 and name N)
       1.0 123  82 2

! Talos derived psi restraint:
assign (resid 104 and name N)
       (resid 104 and name CA)
       (resid 104 and name C)
       (resid 105 and name N)
       1.0 141  30 2

! Talos derived psi restraint:
assign (resid 105 and name N)
       (resid 105 and name CA)
       (resid 105 and name C)
       (resid 106 and name N)
       1.0 129  30 2

! Talos derived psi restraint:
assign (resid 106 and name N)
       (resid 106 and name CA)
       (resid 106 and name C)
       (resid 107 and name N)
       1.0 138  32 2

! Talos derived psi restraint:
assign (resid 107 and name N)
       (resid 107 and name CA)
       (resid 107 and name C)
       (resid 108 and name N)
       1.0 131  30 2

! Talos derived psi restraint:
assign (resid 108 and name N)
       (resid 108 and name CA)
       (resid 108 and name C)
       (resid 109 and name N)
       1.0 135  30 2

! Talos derived psi restraint:
assign (resid 109 and name N)
       (resid 109 and name CA)
       (resid 109 and name C)
       (resid 110 and name N)
       1.0 142  46 2

! Talos derived psi restraint:
assign (resid 110 and name N)
       (resid 110 and name CA)
       (resid 110 and name C)
       (resid 111 and name N)
       1.0 127  30 2

! Talos derived psi restraint:
assign (resid 111 and name N)
       (resid 111 and name CA)
       (resid 111 and name C)
       (resid 112 and name N)
       1.0 133  57 2

! Talos derived psi restraint:
assign (resid 119 and name N)
       (resid 119 and name CA)
       (resid 119 and name C)
       (resid 120 and name N)
       1.0 149  45 2

! Talos derived psi restraint:
assign (resid 121 and name N)
       (resid 121 and name CA)
       (resid 121 and name C)
       (resid 122 and name N)
       1.0 156  50 2

! Talos derived psi restraint:
assign (resid 122 and name N)
       (resid 122 and name CA)
       (resid 122 and name C)
       (resid 123 and name N)
       1.0 130  30 2

! Talos derived psi restraint:
assign (resid 124 and name N)
       (resid 124 and name CA)
       (resid 124 and name C)
       (resid 125 and name N)
       1.0 164  30 2

! Talos derived psi restraint:
assign (resid 125 and name N)
       (resid 125 and name CA)
       (resid 125 and name C)
       (resid 126 and name N)
       1.0 148  30 2

! Talos derived psi restraint:
assign (resid 126 and name N)
       (resid 126 and name CA)
       (resid 126 and name C)
       (resid 127 and name N)
       1.0 129  46 2

! Talos derived psi restraint:
assign (resid 127 and name N)
       (resid 127 and name CA)
       (resid 127 and name C)
       (resid 128 and name N)
       1.0 -26  30 2

! Talos derived psi restraint:
assign (resid 128 and name N)
       (resid 128 and name CA)
       (resid 128 and name C)
       (resid 129 and name N)
       1.0 -28  35 2

! Talos derived psi restraint:
assign (resid 130 and name N)
       (resid 130 and name CA)
       (resid 130 and name C)
       (resid 131 and name N)
       1.0  36  30 2

! Talos derived psi restraint:
assign (resid 132 and name N)
       (resid 132 and name CA)
       (resid 132 and name C)
       (resid 133 and name N)
       1.0 140  48 2

! Talos derived psi restraint:
assign (resid 133 and name N)
       (resid 133 and name CA)
       (resid 133 and name C)
       (resid 134 and name N)
       1.0 142  30 2

! Talos derived psi restraint:
assign (resid 134 and name N)
       (resid 134 and name CA)
       (resid 134 and name C)
       (resid 135 and name N)
       1.0 150  30 2

! Talos derived psi restraint:
assign (resid 135 and name N)
       (resid 135 and name CA)
       (resid 135 and name C)
       (resid 136 and name N)
       1.0 140  35 2

! Talos derived psi restraint:
assign (resid 136 and name N)
       (resid 136 and name CA)
       (resid 136 and name C)
       (resid 137 and name N)
       1.0 128  30 2

! Talos derived psi restraint:
assign (resid 137 and name N)
       (resid 137 and name CA)
       (resid 137 and name C)
       (resid 138 and name N)
       1.0 121  30 2

! Talos derived psi restraint:
assign (resid 138 and name N)
       (resid 138 and name CA)
       (resid 138 and name C)
       (resid 139 and name N)
       1.0 121  30 2

! Talos derived psi restraint:
assign (resid 142 and name N)
       (resid 142 and name CA)
       (resid 142 and name C)
       (resid 143 and name N)
       1.0 143  40 2

! Talos derived psi restraint:
assign (resid 146 and name N)
       (resid 146 and name CA)
       (resid 146 and name C)
       (resid 147 and name N)
       1.0 137  45 2


	





{===========================================================}
! mainchain hydrogen bond distance restraints
! automatically generated by script hydrogen_bonds.inp
!      O--N distance <= 3.2 Angstrom
!   C--O--N angle    >= 120.0 degrees
! input structure file: /home/chxcw/Structure_calc/Chicken/run11/begin/Chicken.psf
! input coordinate file: /home/chxcw/Structure_calc/Chicken/List_281108/chicken_sanger_hadded.pdb
! edited using initial structures, X-strand beta NOEs and TALOS/CSI angles
! CNS version: 1.2  date: 16-Dec-2008  user: chxcw
{===========================================================}

set echo=off message=off end

  assign ( segid "" and resid 11 and name O )
         ( segid "" and resid 20 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 20 and name O )
         ( segid "" and resid 11 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 31 and name O )
         ( segid "" and resid 43 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 40 and name O )
         ( segid "" and resid 62 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 42 and name O )
         ( segid "" and resid 60 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 43 and name O )
         ( segid "" and resid 31 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 56 and name O )
         ( segid "" and resid 73 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 58 and name O )
         ( segid "" and resid 44 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 59 and name O )
         ( segid "" and resid 70 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 60 and name O )
         ( segid "" and resid 42 and name N ) 2.8 0.2 0.2

! assign ( segid "" and resid 68 and name O )
!        ( segid "" and resid 61 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 71 and name O )
         ( segid "" and resid 58 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 78 and name O )
         ( segid "" and resid 85 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 84 and name O )
         ( segid "" and resid 108 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 85 and name O )
         ( segid "" and resid 78 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 86 and name O )
         ( segid "" and resid 106 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 88 and name O )
         ( segid "" and resid 104 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 89 and name O )
         ( segid "" and resid 72 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 104 and name O )
         ( segid "" and resid 88 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 105 and name O )
         ( segid "" and resid 134 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 106 and name O )
         ( segid "" and resid 86 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 107 and name O )
         ( segid "" and resid 136 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 108 and name O )
         ( segid "" and resid 84 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 109 and name O )
         ( segid "" and resid 138 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 121 and name O )
         ( segid "" and resid 135 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 124 and name O )
         ( segid "" and resid 133 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 126 and name O )
         ( segid "" and resid 131 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 131 and name O )
         ( segid "" and resid 126 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 132 and name O )
         ( segid "" and resid 105 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 133 and name O )
         ( segid "" and resid 123 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 134 and name O )
         ( segid "" and resid 107 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 135 and name O )
         ( segid "" and resid 121 and name N ) 2.8 0.2 0.2

  assign ( segid "" and resid 136 and name O )
         ( segid "" and resid 109 and name N ) 2.8 0.2 0.2

end

flags include noe end

set echo=on message=on end



 ASSI {    3}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HN  ))
      4.300     2.300     1.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.12281E-02 ppm1     -0.447 ppm2      8.196 CV     1
 ASSI {    4}
   (  segid "    " and resid 22   and name HD2%)
   (  segid "    " and resid 108  and name HD% )
      3.000     1.100     1.100 peak     4 spectrum    1 weight  0.10000E+01 volume  0.18551E-02 ppm1     -0.450 ppm2      6.732 CV     1
 ASSI {    5}
   (  segid "    " and resid 22   and name HD2%)
   (  segid "    " and resid 108  and name HE% )
      3.000     1.200     1.200 peak     5 spectrum    1 weight  0.10000E+01 volume  0.22868E-02 ppm1     -0.449 ppm2      6.454 CV     1
 ASSI {    7}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HA  ))
      2.800     1.000     0.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.26005E-02 ppm1     -0.449 ppm2      4.361 CV     1
 ASSI {   10}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 140  and name HB1 ))
      3.300     1.400     1.400 peak    10 spectrum    1 weight  0.10000E+01 volume  0.70589E-03 ppm1     -0.449 ppm2      1.455 CV     1
 OR {   10}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 140  and name HB2 ))
 ASSI {   12}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HG  ))
      2.000     0.500     0.500 peak    12 spectrum    1 weight  0.10000E+01 volume  0.77995E-02 ppm1     -0.450 ppm2      0.926 CV     1
 ASSI {   19}
   (  segid "    " and resid 22   and name HD2%)
   (  segid "    " and resid 22   and name HD1%)
      2.800     1.000     0.500 peak    19 spectrum    1 weight  0.11000E+01 volume  0.17454E-01 ppm1     -0.450 ppm2     -0.014 CV     1
 ASSI {   35}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 61   and name HN  ))
      4.300     2.300     1.700 peak    35 spectrum    1 weight  0.10000E+01 volume  0.12636E-02 ppm1      0.543 ppm2      9.767 CV     1
 ASSI {   36}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 62   and name HN  ))
      3.300     1.500     1.100 peak    36 spectrum    1 weight  0.10000E+01 volume  0.29394E-02 ppm1      0.541 ppm2      9.659 CV     1
 ASSI {   38}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 42   and name HN  ))
      5.000     3.200     1.000 peak    38 spectrum    1 weight  0.10000E+01 volume  0.58527E-03 ppm1      0.545 ppm2      8.884 CV     1
 ASSI {   40}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 40   and name HN  ))
      4.000     2.200     2.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.99431E-03 ppm1      0.542 ppm2      8.165 CV     1
 ASSI {   44}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      3.700     1.700     1.700 peak    44 spectrum    1 weight  0.10000E+01 volume  0.72449E-03 ppm1      0.546 ppm2      4.709 CV     1
 ASSI {   47}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 63   and name HB1 ))
      4.200     2.200     1.800 peak    47 spectrum    1 weight  0.10000E+01 volume  0.73584E-03 ppm1      0.539 ppm2      2.791 CV     1
 ASSI {   49}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 63   and name HB2 ))
      3.400     1.400     1.400 peak    49 spectrum    1 weight  0.10000E+01 volume  0.12209E-02 ppm1      0.540 ppm2      1.999 CV     1
 ASSI {   51}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 61   and name HB  ))
      2.100     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.73263E-02 ppm1      0.542 ppm2      1.697 CV     1
 ASSI {   52}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 41   and name HG12))
      2.600     0.900     0.900 peak    52 spectrum    1 weight  0.10000E+01 volume  0.22672E-02 ppm1      0.541 ppm2      1.408 CV     1
 OR {   52}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 41   and name HG11))
 ASSI {   56}
   (  segid "    " and resid 61   and name HG2%)
   (  segid "    " and resid 41   and name HG2%)
      3.300     1.500     1.500 peak    56 spectrum    1 weight  0.10000E+01 volume  0.46724E-02 ppm1      0.541 ppm2      0.874 CV     1
 ASSI {   57}
   (  segid "    " and resid 61   and name HG2%)
   (  segid "    " and resid 61   and name HD1%)
      2.500     0.700     0.500 peak    57 spectrum    1 weight  0.10000E+01 volume  0.12220E-01 ppm1      0.543 ppm2      0.694 CV     1
 ASSI {   69}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 68   and name HN  ))
      4.800     2.800     1.200 peak    69 spectrum    1 weight  0.10000E+01 volume  0.59277E-03 ppm1      0.700 ppm2      8.997 CV     1
 ASSI {   70}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 134  and name HE% )
      3.300     1.400     1.400 peak    70 spectrum    1 weight  0.10000E+01 volume  0.10288E-02 ppm1      0.694 ppm2      7.098 CV     1
 ASSI {   71}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HA  ))
      3.000     1.100     1.100 peak    71 spectrum    1 weight  0.10000E+01 volume  0.10325E-02 ppm1      0.695 ppm2      4.918 CV     1
 ASSI {   73}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HB  ))
      3.100     1.200     1.200 peak    73 spectrum    1 weight  0.10000E+01 volume  0.42404E-02 ppm1      0.695 ppm2      1.696 CV     1
 ASSI {   74}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HG12))
      2.200     0.600     0.600 peak    74 spectrum    1 weight  0.10000E+01 volume  0.47801E-02 ppm1      0.695 ppm2      1.607 CV     1
 OR {   74}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HG11))
 ASSI {   75}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 41   and name HG12))
      3.000     1.100     1.100 peak    75 spectrum    1 weight  0.10000E+01 volume  0.11819E-02 ppm1      0.700 ppm2      1.418 CV     1
 OR {   75}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 41   and name HG11))
 ASSI {   78}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 59   and name HG2%)
      4.200     2.200     1.800 peak    78 spectrum    1 weight  0.10000E+01 volume  0.91600E-03 ppm1      0.702 ppm2      1.164 CV     1
 ASSI {   85}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 68   and name HD1%)
      5.000     3.200     1.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.67234E-03 ppm1      0.702 ppm2      0.331 CV     1
 ASSI {   89}
   (  segid "    " and resid 131  and name HG2%)
   (  segid "    " and resid 105  and name HD% )
      3.300     1.500     2.000 peak    89 spectrum    1 weight  0.11000E+01 volume  0.21161E-02 ppm1      0.336 ppm2      6.963 CV     1
 ASSI {   90}
   (  segid "    " and resid 131  and name HG2%)
   (  segid "    " and resid 105  and name HE% )
      4.000     2.200     2.000 peak    90 spectrum    1 weight  0.11000E+01 volume  0.11122E-02 ppm1      0.336 ppm2      6.733 CV     1
 ASSI {   91}
   (  segid "    " and resid 131  and name HG2%)
   (  segid "    " and resid 133  and name HE% )
      4.000     2.200     2.000 peak    91 spectrum    1 weight  0.11000E+01 volume  0.86195E-03 ppm1      0.337 ppm2      6.245 CV     1
 ASSI {   92}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 131  and name HA  ))
      3.300     1.500     1.300 peak    92 spectrum    1 weight  0.10000E+01 volume  0.12048E-02 ppm1      0.335 ppm2      4.951 CV     1
 ASSI {   93}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 131  and name HB  ))
      2.900     1.000     1.000 peak    93 spectrum    1 weight  0.11000E+01 volume  0.14149E-02 ppm1      0.336 ppm2      3.513 CV     1
 ASSI {  109}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 79   and name HN  ))
      3.300     1.500     1.600 peak   109 spectrum    1 weight  0.10000E+01 volume  0.30733E-02 ppm1      4.084 ppm2      8.876 CV     1
 ASSI {  110}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HN  ))
      3.100     1.200     1.200 peak   110 spectrum    1 weight  0.11000E+01 volume  0.12860E-02 ppm1      4.085 ppm2      8.708 CV     1
 ASSI {  111}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.800     0.800 peak   111 spectrum    1 weight  0.10000E+01 volume  0.24148E-02 ppm1      4.085 ppm2      8.330 CV     1
 ASSI {  113}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 34   and name HA  ))
      2.700     0.900     0.900 peak   113 spectrum    1 weight  0.10000E+01 volume  0.35085E-02 ppm1      4.088 ppm2      5.484 CV     1
 ASSI {  115}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HA  ))
      2.700     0.900     0.900 peak   115 spectrum    1 weight  0.11000E+01 volume  0.25009E-02 ppm1      4.087 ppm2      4.767 CV     1
 ASSI {  121}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 85   and name HB2 ))
      3.800     1.800     1.800 peak   121 spectrum    1 weight  0.10000E+01 volume  0.12305E-02 ppm1      4.091 ppm2      1.630 CV     1
 OR {  121}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 85   and name HB1 ))
 ASSI {  122}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 78   and name HG2%)
      2.200     0.600     0.600 peak   122 spectrum    1 weight  0.11000E+01 volume  0.11834E-01 ppm1      4.085 ppm2      1.190 CV     1
 ASSI {  123}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 131  and name HA  ))
      4.100     2.100     1.900 peak   123 spectrum    1 weight  0.10000E+01 volume  0.10556E-02 ppm1      3.980 ppm2      4.971 CV     1
 ASSI {  124}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HB1 ))
      1.600     0.300     0.600 peak   124 spectrum    1 weight  0.10000E+01 volume  0.10739E-01 ppm1      3.981 ppm2      3.747 CV     1
 ASSI {  128}
   (( segid "    " and resid 104  and name HB1 ))
   (( segid "    " and resid 131  and name HA  ))
      3.800     1.800     1.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.20246E-02 ppm1      3.746 ppm2      4.972 CV     1
 ASSI {  145}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 13   and name HD22))
      2.800     1.000     1.000 peak   145 spectrum    1 weight  0.10000E+01 volume  0.12972E-02 ppm1      1.534 ppm2      9.454 CV     1
 ASSI {  146}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 139  and name HN  ))
      3.000     1.200     1.200 peak   146 spectrum    1 weight  0.10000E+01 volume  0.26157E-02 ppm1      1.563 ppm2      9.369 CV     1
 ASSI {  148}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 17   and name HN  ))
      4.500     2.500     1.500 peak   148 spectrum    1 weight  0.10000E+01 volume  0.16849E-02 ppm1      1.534 ppm2      8.736 CV     1
 ASSI {  149}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 115  and name HN  ))
      2.800     1.000     1.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.44876E-02 ppm1      1.561 ppm2      8.582 CV     1
 ASSI {  151}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 15   and name HN  ))
      2.000     0.500     0.500 peak   151 spectrum    1 weight  0.10000E+01 volume  0.18168E-01 ppm1      1.541 ppm2      7.755 CV     1
 ASSI {  152}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 13   and name HD21))
      3.700     1.700     1.700 peak   152 spectrum    1 weight  0.10000E+01 volume  0.23967E-02 ppm1      1.537 ppm2      7.315 CV     1
 ASSI {  154}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 111  and name HN  ))
      4.400     2.400     1.600 peak   154 spectrum    1 weight  0.10000E+01 volume  0.69866E-03 ppm1      1.556 ppm2      6.960 CV     1
 ASSI {  155}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak   155 spectrum    1 weight  0.10000E+01 volume  0.55473E-02 ppm1      1.537 ppm2      6.744 CV     1
 ASSI {  156}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 138  and name HA  ))
      2.500     0.800     0.800 peak   156 spectrum    1 weight  0.10000E+01 volume  0.35471E-02 ppm1      1.560 ppm2      5.196 CV     1
 ASSI {  159}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 114  and name HA  ))
      2.000     0.500     0.500 peak   159 spectrum    1 weight  0.11000E+01 volume  0.15448E-01 ppm1      1.559 ppm2      4.392 CV     1
 ASSI {  168}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 13   and name HB2 ))
      4.500     2.500     1.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.94058E-03 ppm1      1.532 ppm2      2.372 CV     1
 OR {  168}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {  169}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 14   and name HG2 ))
      2.900     1.100     1.100 peak   169 spectrum    1 weight  0.10000E+01 volume  0.19931E-02 ppm1      1.535 ppm2      2.166 CV     1
 ASSI {  171}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 111  and name HB1 ))
      2.700     0.900     0.900 peak   171 spectrum    1 weight  0.10000E+01 volume  0.35831E-02 ppm1      1.562 ppm2      1.825 CV     1
 OR {  171}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 111  and name HB2 ))
 ASSI {  246}
   (  segid "    " and resid 73   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
      3.700     1.700     1.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.57896E-03 ppm1      0.859 ppm2      3.707 CV     1
 OR {  246}
   (  segid "    " and resid 73   and name HD2%)
   (( segid "    " and resid 48   and name HA  ))
 OR {  246}
   (  segid "    " and resid 73   and name HD2%)
   (( segid "    " and resid 56   and name HA1 ))
 ASSI {  255}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 136  and name HE1 ))
      3.600     1.600     1.600 peak   255 spectrum    1 weight  0.10000E+01 volume  0.12155E-02 ppm1      0.668 ppm2      9.791 CV     1
 ASSI {  256}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 25   and name HN  ))
      3.900     1.900     1.900 peak   256 spectrum    1 weight  0.10000E+01 volume  0.24070E-02 ppm1      0.668 ppm2      7.913 CV     1
 ASSI {  257}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 26   and name HN  ))
      4.800     2.900     1.200 peak   257 spectrum    1 weight  0.10000E+01 volume  0.51635E-03 ppm1      0.666 ppm2      7.574 CV     1
 ASSI {  268}
   (  segid "    " and resid 25   and name HD2%)
   (  segid "    " and resid 25   and name HD1%)
      2.200     0.600     0.600 peak   268 spectrum    1 weight  0.10000E+01 volume  0.14299E-01 ppm1      0.669 ppm2     -0.009 CV     1
  ASSI {  276}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      3.300     1.500     1.000 peak   276 spectrum    1 weight  0.11000E+01 volume  0.48405E-02 ppm1      1.228 ppm2      8.897 CV     1
 ASSI {  292}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 62   and name HN  ))
      4.300     2.300     1.700 peak   292 spectrum    1 weight  0.11000E+01 volume  0.12642E-02 ppm1      1.173 ppm2      9.653 CV     1
 ASSI {  300}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      2.900     1.100     1.100 peak   300 spectrum    1 weight  0.10000E+01 volume  0.52982E-02 ppm1      1.158 ppm2      5.498 CV     1
 ASSI {  321}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 106  and name HN  ))
      4.900     3.000     1.100 peak   321 spectrum    1 weight  0.10000E+01 volume  0.68797E-03 ppm1      0.768 ppm2      9.425 CV     1
 ASSI {  322}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 88   and name HN  ))
      3.600     1.600     1.600 peak   322 spectrum    1 weight  0.10000E+01 volume  0.34502E-02 ppm1      0.767 ppm2      9.224 CV     1
 ASSI {  323}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 87   and name HN  ))
      2.800     1.000     1.000 peak   323 spectrum    1 weight  0.11000E+01 volume  0.22083E-02 ppm1      0.767 ppm2      8.766 CV     1
 ASSI {  324}
   (  segid "    " and resid 87   and name HG2%)
   (  segid "    " and resid 105  and name HD% )
      4.000     2.000     2.000 peak   324 spectrum    1 weight  0.10000E+01 volume  0.17370E-02 ppm1      0.767 ppm2      6.966 CV     1
 ASSI {  327}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 105  and name HA  ))
      4.300     2.300     1.700 peak   327 spectrum    1 weight  0.10000E+01 volume  0.13511E-02 ppm1      0.766 ppm2      5.076 CV     1
 ASSI {  328}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 87   and name HA  ))
      3.000     1.200     1.200 peak   328 spectrum    1 weight  0.11000E+01 volume  0.32591E-02 ppm1      0.766 ppm2      4.844 CV     1
 ASSI {  329}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 106  and name HB1 ))
      5.100     3.300     0.900 peak   329 spectrum    1 weight  0.10000E+01 volume  0.10967E-02 ppm1      0.768 ppm2      3.103 CV     1
 OR {  329}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 103  and name HE1 ))
 OR {  329}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 103  and name HE2 ))
 ASSI {  330}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 89   and name HG1 ))
      3.300     1.500     1.500 peak   330 spectrum    1 weight  0.10000E+01 volume  0.32387E-02 ppm1      0.767 ppm2      2.290 CV     1
 ASSI {  331}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 89   and name HG2 ))
      3.600     1.600     1.500 peak   331 spectrum    1 weight  0.10000E+01 volume  0.27265E-02 ppm1      0.766 ppm2      2.216 CV     1
 OR {  331}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 89   and name HB1 ))
 ASSI {  334}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 87   and name HB  ))
      2.100     0.600     0.600 peak   334 spectrum    1 weight  0.10000E+01 volume  0.11090E-01 ppm1      0.766 ppm2      1.815 CV     1
 ASSI {  342}
   (  segid "    " and resid 54   and name HB% )
   (( segid "    " and resid 53   and name HB1 ))
      5.200     3.300     0.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.77443E-03 ppm1      1.426 ppm2      3.099 CV     1
 ASSI {  367}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 100  and name HN  ))
      3.700     1.700     1.700 peak   367 spectrum    1 weight  0.10000E+01 volume  0.20764E-02 ppm1      2.105 ppm2      8.567 CV     1
 ASSI { 2029}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 100  and name HA  ))
      4.100     2.100     1.900 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.14432E-02 ppm1      2.105 ppm2      4.675 CV     1
 ASSI {  396}
   (  segid "    " and resid 100  and name HE% )
   (  segid "    " and resid 129  and name HG2%)
      3.000     1.200     2.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.83639E-02 ppm1      2.104 ppm2      1.083 CV     1
 ASSI {  903}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      3.800     1.800     1.800 peak   903 spectrum    1 weight  0.10000E+01 volume  0.19013E-02 ppm1      7.094 ppm2      2.399 CV     1
 ASSI {  905}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HG1 ))
      4.100     2.100     1.900 peak   905 spectrum    1 weight  0.10000E+01 volume  0.16925E-02 ppm1      7.093 ppm2      2.131 CV     1 
 ASSI {  4541}
   (  segid "    " and resid 83   and name HB )
   (  segid "    " and resid 85   and name HE2)
      4.000     2.200     2.000 peak   4541 spectrum   1 weight  0.10000E+01 volume  0.83639E-02 ppm1      2.007 ppm2      2.719 CV     1
 OR {  4541}
   (  segid "    " and resid 83   and name HB )
   (  segid "    " and resid 85   and name HE1)
 ASSI {  405}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.900     1.900     1.900 peak   405 spectrum    1 weight  0.10000E+01 volume  0.85085E-03 ppm1      2.894 ppm2      7.339 CV     1
 ASSI {  406}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HE  ))
      2.900     1.100     1.100 peak   406 spectrum    1 weight  0.10000E+01 volume  0.16818E-02 ppm1      2.885 ppm2      6.838 CV     1
 ASSI {  408}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HA  ))
      3.300     1.300     1.300 peak   408 spectrum    1 weight  0.10000E+01 volume  0.92403E-03 ppm1      2.917 ppm2      5.032 CV     1
 ASSI {  409}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HA  ))
      4.800     2.900     1.200 peak   409 spectrum    1 weight  0.10000E+01 volume  0.10432E-02 ppm1      2.893 ppm2      4.887 CV     1
 ASSI {  410}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HD2 ))
      1.500     0.300     0.700 peak   410 spectrum    1 weight  0.10000E+01 volume  0.10778E-01 ppm1      2.889 ppm2      2.501 CV     1
 ASSI {  411}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HB2 ))
      2.200     0.600     0.600 peak   411 spectrum    1 weight  0.10000E+01 volume  0.28263E-02 ppm1      2.908 ppm2      2.178 CV     1
 ASSI {  416}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 99   and name HN  ))
      3.300     1.500     1.300 peak   416 spectrum    1 weight  0.10000E+01 volume  0.80612E-03 ppm1      1.695 ppm2      8.235 CV     1
 ASSI {  420}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 97   and name HA  ))
      4.400     2.500     1.600 peak   420 spectrum    1 weight  0.10000E+01 volume  0.13363E-02 ppm1      1.691 ppm2      4.484 CV     1
 ASSI {  422}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 98   and name HA  ))
      2.800     1.000     1.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.40639E-02 ppm1      1.700 ppm2      4.364 CV     1
 ASSI {  439}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HB2 ))
      2.100     0.600     0.600 peak   439 spectrum    1 weight  0.11000E+01 volume  0.29873E-02 ppm1      2.779 ppm2      1.999 CV     1
 ASSI {  443}
   (( segid "    " and resid 85   and name HE2 ))
   (( segid "    " and resid 85   and name HB1 ))
      3.900     1.900     1.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.22509E-02 ppm1      2.781 ppm2      1.574 CV     1
 OR {  443}
   (( segid "    " and resid 85   and name HE2 ))
   (( segid "    " and resid 85   and name HB2 ))
 ASSI {  444}
   (( segid "    " and resid 85   and name HE1 ))
   (( segid "    " and resid 85   and name HG1 ))
      2.600     2.600     3.400 peak   444 spectrum    1 weight  0.11000E+01 volume  0.33442E-02 ppm1      2.781 ppm2      1.260 CV     1
 ASSI {  445}
   (( segid "    " and resid 85   and name HE2 ))
   (  segid "    " and resid 83   and name HG1%)
      3.000     1.200     1.000 peak   445 spectrum    1 weight  0.10000E+01 volume  0.30145E-02 ppm1      2.781 ppm2      0.861 CV     1
 OR {  445}
   (( segid "    " and resid 85   and name HE2 ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI {  447}
   (( segid "    " and resid 126  and name HB1 ))
   (  segid "    " and resid 133  and name HE% )
      3.400     1.400     1.400 peak   447 spectrum    1 weight  0.10000E+01 volume  0.10297E-02 ppm1      2.705 ppm2      6.241 CV     1
 OR {  447}
   (( segid "    " and resid 126  and name HB2 ))
   (  segid "    " and resid 133  and name HE% )
 ASSI {  449}
   (( segid "    " and resid 85   and name HE1 ))
   (( segid "    " and resid 85   and name HB2 ))
      3.800     1.800     1.800 peak   449 spectrum    1 weight  0.10000E+01 volume  0.22550E-02 ppm1      2.717 ppm2      1.569 CV     1
 OR {  449}
   (( segid "    " and resid 85   and name HE1 ))
   (( segid "    " and resid 85   and name HB1 ))
 ASSI {  450}
   (( segid "    " and resid 85   and name HE1 ))
   (( segid "    " and resid 85   and name HD2 ))
      3.000     1.100     1.100 peak   450 spectrum    1 weight  0.10000E+01 volume  0.15324E-02 ppm1      2.710 ppm2      1.461 CV     1
 OR {  450}
   (( segid "    " and resid 85   and name HE1 ))
   (( segid "    " and resid 85   and name HD1 ))
 ASSI {  466}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HA  ))
      2.800     1.000     1.000 peak   466 spectrum    1 weight  0.10000E+01 volume  0.19664E-02 ppm1      2.717 ppm2      4.228 CV     1
 ASSI {  471}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      4.200     2.200     1.800 peak   471 spectrum    1 weight  0.10000E+01 volume  0.77462E-03 ppm1      2.801 ppm2      8.087 CV     1
 ASSI {  472}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HD21))
      2.900     1.100     1.100 peak   472 spectrum    1 weight  0.10000E+01 volume  0.23003E-02 ppm1      2.804 ppm2      7.611 CV     1
 ASSI {  479}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HA  ))
      3.100     1.200     1.200 peak   479 spectrum    1 weight  0.10000E+01 volume  0.27905E-02 ppm1      2.065 ppm2      4.340 CV     1
 OR {  479}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI {  486}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      4.500     2.500     1.500 peak   486 spectrum    1 weight  0.10000E+01 volume  0.59973E-03 ppm1      2.430 ppm2      7.293 CV     1
 ASSI {  489}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.700     2.700     3.300 peak   489 spectrum    1 weight  0.10000E+01 volume  0.37648E-02 ppm1      2.428 ppm2      4.366 CV     1
 ASSI { 2242}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HE21))
      2.800     1.000     3.200 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.37648E-02 ppm1      2.428 ppm2      4.366 CV     1
 OR { 2242}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HE21))
 ASSI { 2241}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HE22))
      3.000     1.000     3.200 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.37648E-02 ppm1      2.428 ppm2      4.366 CV     1
 OR { 2241}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HE22))
 ASSI {  508}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      3.800     3.800     2.200 peak   508 spectrum    1 weight  0.10000E+01 volume  0.17242E-02 ppm1      2.092 ppm2      8.482 CV     1
 ASSI {  511}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      3.300     1.300     1.300 peak   511 spectrum    1 weight  0.10000E+01 volume  0.42277E-02 ppm1      2.097 ppm2      8.090 CV     1
 ASSI {  513}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HA  ))
      3.500     3.500     2.500 peak   513 spectrum    1 weight  0.10000E+01 volume  0.40397E-02 ppm1      2.098 ppm2      4.165 CV     1
 ASSI {  514}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HD1 ))
      4.200     2.200     1.800 peak   514 spectrum    1 weight  0.10000E+01 volume  0.13541E-02 ppm1      2.110 ppm2      4.029 CV     1
 ASSI {  515}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HD2 ))
      3.800     1.800     1.700 peak   515 spectrum    1 weight  0.10000E+01 volume  0.13045E-02 ppm1      2.109 ppm2      3.723 CV     1
 ASSI {  527}
   (( segid "    " and resid 146  and name HB  ))
   (  segid "    " and resid 146  and name HG2%)
      2.000     0.500     0.500 peak   527 spectrum    1 weight  0.10000E+01 volume  0.21883E-01 ppm1      2.078 ppm2      0.932 CV     1
 OR {  527}
   (( segid "    " and resid 146  and name HB  ))
   (  segid "    " and resid 146  and name HG1%)
 ASSI {  529}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 146  and name HA  ))
      2.500     0.800     0.800 peak   529 spectrum    1 weight  0.10000E+01 volume  0.44986E-02 ppm1      2.049 ppm2      4.383 CV     1
 ASSI {  532}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 147  and name HD1 ))
      4.400     2.400     1.600 peak   532 spectrum    1 weight  0.10000E+01 volume  0.15961E-02 ppm1      2.053 ppm2      3.875 CV     1
 ASSI {  540}
   (( segid "    " and resid 119  and name HB2 ))
   (( segid "    " and resid 119  and name HG2 ))
      2.800     1.000     1.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.32646E-02 ppm1      1.753 ppm2      2.432 CV     1
 OR {  540}
   (( segid "    " and resid 119  and name HB2 ))
   (( segid "    " and resid 119  and name HG1 ))
 ASSI {  545}
   (( segid "    " and resid 143  and name HB1 ))
   (( segid "    " and resid 143  and name HN  ))
      3.300     1.300     1.300 peak   545 spectrum    1 weight  0.11000E+01 volume  0.22663E-02 ppm1      1.652 ppm2      8.975 CV     1
 OR {  545}
   (( segid "    " and resid 143  and name HB2 ))
   (( segid "    " and resid 143  and name HN  ))
 ASSI { 3047}
   (( segid "    " and resid 143  and name HN ))
   (( segid "    " and resid 16   and name HG2%))
      4.500     2.500     1.500 peak   3047 spectrum    1 weight  0.11000E+01 volume  0.22663E-02 ppm1      1.652 ppm2      8.975 CV    1
 ASSI {  546}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      2.500     0.800     0.800 peak   546 spectrum    1 weight  0.10000E+01 volume  0.26042E-02 ppm1      1.692 ppm2      8.476 CV     1
 ASSI {  547}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.500     0.800     0.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.43807E-02 ppm1      1.700 ppm2      8.369 CV     1
 OR {  547}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  554}
   (( segid "    " and resid 143  and name HB1 ))
   (( segid "    " and resid 143  and name HA  ))
      2.600     2.600     3.400 peak   554 spectrum    1 weight  0.11000E+01 volume  0.23531E-02 ppm1      1.664 ppm2      3.639 CV     1
 ASSI {  555}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 38   and name HB1 ))
      3.000     1.200     1.200 peak   555 spectrum    1 weight  0.10000E+01 volume  0.34975E-02 ppm1      1.701 ppm2      3.162 CV     1
 OR {  555}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 38   and name HB1 ))
 ASSI {  556}
   (( segid "    " and resid 143  and name HB2 ))
   (( segid "    " and resid 143  and name HG2 ))
      2.300     0.700     0.700 peak   556 spectrum    1 weight  0.10000E+01 volume  0.90688E-02 ppm1      1.657 ppm2      1.884 CV     1
 OR {  556}
   (( segid "    " and resid 143  and name HB1 ))
   (( segid "    " and resid 143  and name HG2 ))
 ASSI {  564}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HB1 ))
      1.600     0.300     0.600 peak   564 spectrum    1 weight  0.10000E+01 volume  0.86157E-02 ppm1      1.805 ppm2      1.949 CV     1
 ASSI {  578}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
      2.400     0.700     0.700 peak   578 spectrum    1 weight  0.10000E+01 volume  0.75305E-02 ppm1      2.062 ppm2      4.013 CV     1
 OR {  578}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {  592}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.400     1.400     1.400 peak   592 spectrum    1 weight  0.10000E+01 volume  0.28456E-02 ppm1      2.038 ppm2      8.481 CV     1
 ASSI {  599}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HG1 ))
      1.900     1.900     4.100 peak   599 spectrum    1 weight  0.10000E+01 volume  0.12510E-01 ppm1      2.039 ppm2      2.366 CV     1
 ASSI {  604}
   (( segid "    " and resid 95   and name HG1 ))
   (( segid "    " and resid 95   and name HD1 ))
      2.400     2.400     3.600 peak   604 spectrum    1 weight  0.11000E+01 volume  0.46576E-02 ppm1      2.005 ppm2      3.867 CV     1
 OR {  604}
   (( segid "    " and resid 95   and name HG2 ))
   (( segid "    " and resid 95   and name HD1 ))
 ASSI {  607}
   (( segid "    " and resid 95   and name HG2 ))
   (( segid "    " and resid 95   and name HD2 ))
      2.400     2.400     3.600 peak   607 spectrum    1 weight  0.11000E+01 volume  0.43586E-02 ppm1      2.003 ppm2      3.645 CV     1
 OR {  607}
   (( segid "    " and resid 95   and name HG1 ))
   (( segid "    " and resid 95   and name HD2 ))
 ASSI {  608}
   (( segid "    " and resid 147  and name HG2 ))
   (( segid "    " and resid 147  and name HB1 ))
      2.100     0.600     0.600 peak   608 spectrum    1 weight  0.10000E+01 volume  0.10669E-01 ppm1      2.004 ppm2      2.254 CV     1
 OR {  608}
   (( segid "    " and resid 147  and name HG1 ))
   (( segid "    " and resid 147  and name HB1 ))
 ASSI {  610}
   (( segid "    " and resid 147  and name HG1 ))
   (( segid "    " and resid 147  and name HB2 ))
      2.300     0.700     0.700 peak   610 spectrum    1 weight  0.10000E+01 volume  0.65739E-02 ppm1      2.003 ppm2      1.768 CV     1
 OR {  610}
   (( segid "    " and resid 147  and name HG2 ))
   (( segid "    " and resid 147  and name HB2 ))
 ASSI {  614}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HN  ))
      3.300     1.400     1.400 peak   614 spectrum    1 weight  0.11000E+01 volume  0.13765E-02 ppm1      1.253 ppm2      9.069 CV     1
 OR {  614}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HN  ))
 ASSI {  616}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 86   and name HN  ))
      4.300     2.300     1.700 peak   616 spectrum    1 weight  0.10000E+01 volume  0.12593E-02 ppm1      1.260 ppm2      8.475 CV     1
 OR {  616}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 86   and name HN  ))
 ASSI {  617}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HA  ))
      3.000     1.100     1.100 peak   617 spectrum    1 weight  0.11000E+01 volume  0.12964E-02 ppm1      1.263 ppm2      5.627 CV     1
 OR {  617}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI {  620}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 47   and name HA  ))
      5.300     3.500     0.700 peak   620 spectrum    1 weight  0.10000E+01 volume  0.31652E-03 ppm1      1.251 ppm2      4.213 CV     1
 ASSI {  622}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HE2 ))
      3.300     1.300     1.300 peak   622 spectrum    1 weight  0.10000E+01 volume  0.12691E-02 ppm1      1.256 ppm2      2.782 CV     1
 OR {  622}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HE2 ))
 ASSI {  630}
   (  segid "    " and resid 141  and name HB% )
   (  segid "    " and resid 142  and name HN  )
      4.000     2.200     1.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.59315E-03 ppm1      1.167 ppm2      7.432 CV     1
 ASSI {  631}
   (  segid "    " and resid 141  and name HB% )
   (( segid "    " and resid 141  and name HN  ))
      2.300     0.600     0.600 peak   631 spectrum    1 weight  0.11000E+01 volume  0.47128E-02 ppm1      1.160 ppm2      7.113 CV     1
 ASSI {  633}
   (  segid "    " and resid 141  and name HB% )
   (  segid "    " and resid 108  and name HD% )
      3.900     1.900     1.900 peak   633 spectrum    1 weight  0.10000E+01 volume  0.99523E-03 ppm1      1.160 ppm2      6.735 CV     1
 ASSI {  634}
   (  segid "    " and resid 141  and name HB% )
   (( segid "    " and resid 108  and name HA  ))
      3.800     1.800     1.800 peak   634 spectrum    1 weight  0.10000E+01 volume  0.92452E-03 ppm1      1.155 ppm2      5.497 CV     1
 ASSI {  636}
   (  segid "    " and resid 141  and name HB% )
   (( segid "    " and resid 141  and name HA  ))
      2.100     0.500     0.500 peak   636 spectrum    1 weight  0.11000E+01 volume  0.68501E-02 ppm1      1.162 ppm2      4.552 CV     1
 ASSI {  637}
   (  segid "    " and resid 141  and name HB% )
   (( segid "    " and resid 110  and name HA  ))
      2.400     0.700     0.700 peak   637 spectrum    1 weight  0.10000E+01 volume  0.35607E-02 ppm1      1.161 ppm2      4.435 CV     1
 ASSI {  642}
   (  segid "    " and resid 141  and name HB% )
   (( segid "    " and resid 108  and name HB1 ))
      2.300     0.700     0.700 peak   642 spectrum    1 weight  0.10000E+01 volume  0.12778E-02 ppm1      1.165 ppm2      2.983 CV     1
 ASSI {  643}
   (  segid "    " and resid 141  and name HB% )
   (( segid "    " and resid 108  and name HB2 ))
      3.400     1.400     1.400 peak   643 spectrum    1 weight  0.10000E+01 volume  0.13177E-02 ppm1      1.159 ppm2      2.413 CV     1
 ASSI {  654}
   (  segid "    " and resid 141  and name HB% )
   (  segid "    " and resid 84   and name HD2%)
      3.000     1.100     1.100 peak   654 spectrum    1 weight  0.10000E+01 volume  0.31228E-02 ppm1      1.162 ppm2      0.440 CV     1
 ASSI {  655}
   (  segid "    " and resid 141  and name HB% )
   (  segid "    " and resid 84   and name HD1%)
      2.600     2.600     3.400 peak   655 spectrum    1 weight  0.10000E+01 volume  0.10493E-02 ppm1      1.163 ppm2      0.175 CV     1
 ASSI {  656}
   (  segid "    " and resid 141  and name HB% )
   (  segid "    " and resid 22   and name HD1%)
      3.900     1.900     1.900 peak   656 spectrum    1 weight  0.10000E+01 volume  0.74107E-03 ppm1      1.164 ppm2     -0.019 CV     1
 ASSI {  680}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
      2.900     1.000     1.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.14348E-02 ppm1      3.853 ppm2      8.503 CV     1
 OR {  680}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI {  682}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak   682 spectrum    1 weight  0.10000E+01 volume  0.88025E-03 ppm1      3.873 ppm2      7.361 CV     1
 ASSI {  695}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 148  and name HN  ))
      2.300     2.300     3.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.15410E-01 ppm1      4.356 ppm2      8.371 CV     1
 ASSI {  702}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HB1 ))
      2.100     0.600     0.600 peak   702 spectrum    1 weight  0.10000E+01 volume  0.89569E-02 ppm1      4.357 ppm2      2.257 CV     1
 ASSI {  703}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HB2 ))
      2.900     1.000     1.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.42966E-02 ppm1      4.356 ppm2      1.768 CV     1
 ASSI {  706}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.900     0.000 peak   706 spectrum    1 weight  0.10000E+01 volume  0.86838E-04 ppm1      4.376 ppm2      0.945 CV     1
 OR {  706}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 146  and name HG1%)
 ASSI {  713}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.400     0.700     0.700 peak   713 spectrum    1 weight  0.10000E+01 volume  0.55446E-02 ppm1      4.163 ppm2      8.090 CV     1
 ASSI {  725}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HG2 ))
      4.800     2.900     1.200 peak   725 spectrum    1 weight  0.10000E+01 volume  0.85107E-03 ppm1      4.166 ppm2      2.384 CV     1
 OR {  725}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HG1 ))
 ASSI {  729}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HG2%)
      2.300     0.700     0.700 peak   729 spectrum    1 weight  0.10000E+01 volume  0.15118E-01 ppm1      4.164 ppm2      0.927 CV     1
 OR {  729}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HG1%)
 ASSI {  731}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     2.700     3.300 peak   731 spectrum    1 weight  0.11000E+01 volume  0.70402E-02 ppm1      4.486 ppm2      8.639 CV     1
 ASSI {  734}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HA  ))
      3.300     3.300     2.700 peak   734 spectrum    1 weight  0.11000E+01 volume  0.26904E-02 ppm1      4.480 ppm2      4.802 CV     1
 ASSI {  736}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB1 ))
      2.200     2.200     3.800 peak   736 spectrum    1 weight  0.11000E+01 volume  0.96435E-02 ppm1      4.486 ppm2      3.866 CV     1
 OR {  736}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
 ASSI {  742}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.800     1.000     1.000 peak   742 spectrum    1 weight  0.10000E+01 volume  0.12433E-01 ppm1      4.338 ppm2      8.387 CV     1
 ASSI {  754}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG1 ))
      2.700     0.900     0.900 peak   754 spectrum    1 weight  0.10000E+01 volume  0.52266E-02 ppm1      4.339 ppm2      2.372 CV     1
 ASSI {  756}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB1 ))
      2.200     0.600     0.600 peak   756 spectrum    1 weight  0.10000E+01 volume  0.59501E-02 ppm1      4.338 ppm2      2.029 CV     1
 ASSI {  760}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.300     0.700     0.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.24000E-02 ppm1      4.279 ppm2      8.299 CV     1
 ASSI {  762}
   (( segid "    " and resid 140  and name HA  ))
   (( segid "    " and resid 140  and name HN  ))
      2.600     0.800     0.800 peak   762 spectrum    1 weight  0.10000E+01 volume  0.36711E-02 ppm1      4.254 ppm2      7.982 CV     1
 ASSI {  788}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.400     0.700     0.700 peak   788 spectrum    1 weight  0.11000E+01 volume  0.57405E-02 ppm1      4.348 ppm2      8.312 CV     1
 ASSI {  789}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.200     1.300     1.300 peak   789 spectrum    1 weight  0.10000E+01 volume  0.10933E-02 ppm1      4.355 ppm2      7.914 CV     1
 ASSI {  793}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.500     0.800     0.800 peak   793 spectrum    1 weight  0.11000E+01 volume  0.32436E-02 ppm1      4.350 ppm2      3.138 CV     1
 ASSI {  811}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HG1 ))
      3.500     1.500     1.500 peak   811 spectrum    1 weight  0.10000E+01 volume  0.23517E-02 ppm1      4.364 ppm2      2.438 CV     1
 OR {  811}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HG2 ))
 ASSI {  812}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HB1 ))
      2.600     0.800     0.800 peak   812 spectrum    1 weight  0.10000E+01 volume  0.19794E-02 ppm1      4.368 ppm2      2.057 CV     1
 ASSI {  815}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HB2 ))
      2.800     0.900     0.900 peak   815 spectrum    1 weight  0.10000E+01 volume  0.17914E-02 ppm1      4.363 ppm2      1.751 CV     1
 ASSI {  827}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.700     0.900     0.900 peak   827 spectrum    1 weight  0.10000E+01 volume  0.22110E-02 ppm1      4.220 ppm2      7.273 CV     1
 ASSI {  834}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 44   and name HB1 ))
      3.000     1.100     1.100 peak   834 spectrum    1 weight  0.10000E+01 volume  0.13651E-02 ppm1      4.249 ppm2      3.048 CV     1
 ASSI {  840}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      2.500     0.800     0.800 peak   840 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      4.249 ppm2      1.034 CV     1
 ASSI {  846}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      2.700     0.900     0.900 peak   846 spectrum    1 weight  0.11000E+01 volume  0.16536E-02 ppm1      1.267 ppm2      4.501 CV     1
 ASSI {  848}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HB1 ))
      1.900     0.400     0.400 peak   848 spectrum    1 weight  0.11000E+01 volume  0.29557E-02 ppm1      1.273 ppm2      1.562 CV     1
 ASSI {  854}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HG  ))
      3.200     1.300     1.300 peak   854 spectrum    1 weight  0.10000E+01 volume  0.15970E-02 ppm1      1.280 ppm2      1.065 CV     1
 ASSI {  871}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HG2 ))
      2.500     0.800     0.800 peak   871 spectrum    1 weight  0.10000E+01 volume  0.34793E-02 ppm1      1.625 ppm2      1.262 CV     1
 OR {  871}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 85   and name HG1 ))
 OR {  871}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  871}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HG1 ))
 ASSI {  890}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 85   and name HE1 ))
      2.900     1.000     1.000 peak   890 spectrum    1 weight  0.11000E+01 volume  0.15485E-02 ppm1      1.469 ppm2      2.763 CV     1
 OR {  890}
   (( segid "    " and resid 85   and name HD1 ))
   (( segid "    " and resid 85   and name HE1 ))
 ASSI {  902}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HD1 ))
      2.900     1.100     1.100 peak   902 spectrum    1 weight  0.10000E+01 volume  0.92749E-03 ppm1      1.451 ppm2      2.896 CV     1
 ASSI {  910}
   (( segid "    " and resid 72   and name HG1 ))
   (  segid "    " and resid 73   and name HD2%)
      2.800     2.800     3.200 peak   910 spectrum    1 weight  0.10000E+01 volume  0.13645E-01 ppm1      1.373 ppm2      0.841 CV     1
 ASSI {  920}
   (( segid "    " and resid 99   and name HE2 ))
   (( segid "    " and resid 99   and name HB1 ))
      3.500     1.600     1.600 peak   920 spectrum    1 weight  0.10000E+01 volume  0.43069E-02 ppm1      3.032 ppm2      1.870 CV     1
 OR {  920}
   (( segid "    " and resid 99   and name HE1 ))
   (( segid "    " and resid 99   and name HB1 ))
 OR {  920}
   (( segid "    " and resid 99   and name HE2 ))
   (( segid "    " and resid 99   and name HB2 ))
 OR {  920}
   (( segid "    " and resid 99   and name HE1 ))
   (( segid "    " and resid 99   and name HB2 ))
 ASSI {  924}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 35   and name HB2 ))
      3.300     1.400     1.400 peak   924 spectrum    1 weight  0.10000E+01 volume  0.15342E-02 ppm1      0.607 ppm2      3.043 CV     1
 ASSI {  925}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 122  and name HB1 ))
      3.100     1.200     1.200 peak   925 spectrum    1 weight  0.10000E+01 volume  0.14811E-02 ppm1      0.610 ppm2      2.976 CV     1
 ASSI {  928}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 35   and name HB1 ))
      3.500     1.500     1.500 peak   928 spectrum    1 weight  0.10000E+01 volume  0.23090E-02 ppm1      0.609 ppm2      2.193 CV     1
  ASSI {  934}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HG12))
      2.100     0.500     0.500 peak   934 spectrum    1 weight  0.10000E+01 volume  0.67059E-02 ppm1      0.610 ppm2      1.409 CV     1
 OR {  934}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HG11))
 ASSI {  946}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HA  ))
      4.900     3.000     1.100 peak   946 spectrum    1 weight  0.10000E+01 volume  0.48033E-03 ppm1      0.610 ppm2      4.704 CV     1
 ASSI {  951}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 134  and name HE% )
      3.000     1.100     1.100 peak   951 spectrum    1 weight  0.10000E+01 volume  0.17559E-02 ppm1      0.608 ppm2      7.094 CV     1
 ASSI {  952}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HN  ))
      4.100     2.100     1.900 peak   952 spectrum    1 weight  0.10000E+01 volume  0.13184E-02 ppm1      0.611 ppm2      9.095 CV     1
 ASSI {  957}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      4.300     2.300     1.700 peak   957 spectrum    1 weight  0.10000E+01 volume  0.16018E-02 ppm1      0.906 ppm2      9.346 CV     1
 ASSI {  963}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 125  and name HE% )
      3.800     1.800     1.800 peak   963 spectrum    1 weight  0.10000E+01 volume  0.66876E-03 ppm1      0.692 ppm2      7.271 CV     1
 ASSI {  964}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 31   and name HD% )
      3.600     1.600     1.600 peak   964 spectrum    1 weight  0.10000E+01 volume  0.24525E-02 ppm1      0.904 ppm2      7.266 CV     1
 ASSI {  965}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 134  and name HE% )
      3.900     1.900     1.900 peak   965 spectrum    1 weight  0.10000E+01 volume  0.62533E-03 ppm1      0.905 ppm2      7.094 CV     1
 ASSI {  968}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 121  and name HA  ))
      3.800     1.800     1.500 peak   968 spectrum    1 weight  0.10000E+01 volume  0.20384E-02 ppm1      0.911 ppm2      4.300 CV     1
 ASSI {  972}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 122  and name HB1 ))
      2.900     1.100     1.100 peak   972 spectrum    1 weight  0.10000E+01 volume  0.11469E-02 ppm1      0.906 ppm2      2.949 CV     1
 ASSI {  974}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB  ))
      2.500     0.800     0.800 peak   974 spectrum    1 weight  0.10000E+01 volume  0.37069E-02 ppm1      0.904 ppm2      2.205 CV     1
 ASSI {  975}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 41   and name HB  ))
      3.300     1.400     1.400 peak   975 spectrum    1 weight  0.10000E+01 volume  0.27779E-02 ppm1      0.907 ppm2      1.865 CV     1
 ASSI {  977}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 41   and name HD1%)
      3.000     1.000     1.200 peak   977 spectrum    1 weight  0.10000E+01 volume  0.77911E-02 ppm1      0.904 ppm2      0.620 CV     1
 ASSI {  984}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
      2.500     0.800     0.800 peak   984 spectrum    1 weight  0.10000E+01 volume  0.45077E-02 ppm1      0.961 ppm2      4.895 CV     1
 ASSI {  988}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 121  and name HA  ))
      4.100     2.100     1.900 peak   988 spectrum    1 weight  0.10000E+01 volume  0.11364E-02 ppm1      0.958 ppm2      4.357 CV     1
 ASSI {  992}
   (  segid "    " and resid 70   and name HB% )
   (( segid "    " and resid 68   and name HG  ))
      3.800     1.800     1.200 peak   992 spectrum    1 weight  0.10000E+01 volume  0.18650E-02 ppm1      1.311 ppm2      1.068 CV     1
 ASSI {  993}
   (  segid "    " and resid 70   and name HB% )
   (( segid "    " and resid 59   and name HG1%))
      3.000     1.200     1.500 peak   993 spectrum    1 weight  0.10000E+01 volume  0.11364E-02 ppm1      1.310 ppm2      0.957 CV     1
 ASSI {  996}
   (  segid "    " and resid 70   and name HB% )
   (  segid "    " and resid 68   and name HD2%)
      3.600     1.600     1.200 peak   996 spectrum    1 weight  0.10000E+01 volume  0.21610E-02 ppm1      1.310 ppm2      0.482 CV     1
 ASSI {  997}
   (  segid "    " and resid 70   and name HB% )
   (  segid "    " and resid 68   and name HD1%)
      3.800     1.800     1.400 peak   997 spectrum    1 weight  0.10000E+01 volume  0.15200E-02 ppm1      1.311 ppm2      0.324 CV     1
 ASSI { 1001}
   (  segid "    " and resid 70   and name HB% )
   (( segid "    " and resid 61   and name HG12))
      4.000     2.200     1.500 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.14804E-02 ppm1      1.311 ppm2      1.591 CV     1
 ASSI { 1003}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HB  ))
      2.200     0.600     0.600 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.59512E-02 ppm1      0.961 ppm2      2.209 CV     1
 ASSI { 1018}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 41   and name HB  ))
      4.800     2.800     1.200 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.11065E-02 ppm1      0.961 ppm2      1.855 CV     1
 ASSI { 1022}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 120  and name HB1 ))
      4.300     2.300     1.700 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.14131E-02 ppm1      0.949 ppm2      1.546 CV     1
 ASSI { 1023}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 119  and name HG1 ))
      4.200     2.200     1.800 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.16312E-02 ppm1      0.960 ppm2      2.432 CV     1
 OR { 1023}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 119  and name HG2 ))
 OR { 1023}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 122  and name HB1 ))
 ASSI { 1025}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 48   and name HA  ))
      4.400     2.400     1.600 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.14461E-02 ppm1      1.031 ppm2      3.788 CV     1
 ASSI { 1026}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 51   and name HB2 ))
      4.100     2.100     1.900 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.72331E-03 ppm1      1.032 ppm2      3.466 CV     1
 ASSI { 1027}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 44   and name HB1 ))
      3.600     1.600     1.600 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.15296E-02 ppm1      1.032 ppm2      3.040 CV     1
 ASSI { 1029}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 59   and name HA  ))
      3.700     1.700     1.700 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.10508E-02 ppm1      1.032 ppm2      4.590 CV     1
 ASSI { 1030}
   (  segid "    " and resid 70   and name HB% )
   (( segid "    " and resid 70   and name HA  ))
      2.400     0.700     0.700 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.42384E-02 ppm1      1.308 ppm2      4.555 CV     1
 ASSI { 1032}
   (  segid "    " and resid 70   and name HB% )
   (( segid "    " and resid 69   and name HA  ))
      4.100     2.100     1.900 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.13809E-02 ppm1      1.313 ppm2      4.815 CV     1
 ASSI { 1034}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 43   and name HA  ))
      3.300     1.500     1.500 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.23776E-02 ppm1      1.030 ppm2      5.864 CV     1
 ASSI { 1038}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      2.500     0.800     0.800 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.40156E-02 ppm1      1.032 ppm2      8.687 CV     1
 ASSI { 1039}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      3.500     1.500     1.200 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.42324E-02 ppm1      1.032 ppm2      8.464 CV     1
 ASSI { 1044}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 44   and name HB2 ))
      3.400     1.500     1.500 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.12109E-02 ppm1      1.034 ppm2      2.335 CV     1
 ASSI { 1045}
   (  segid "    " and resid 70   and name HB% )
   (( segid "    " and resid 70   and name HN  ))
      2.600     0.900     0.900 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.29439E-02 ppm1      1.311 ppm2      8.627 CV     1
 ASSI { 1046}
   (  segid "    " and resid 70   and name HB% )
   (( segid "    " and resid 61   and name HN  ))
      3.600     1.600     1.600 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.94320E-03 ppm1      1.309 ppm2      9.769 CV     1
 ASSI { 1050}
   (  segid "    " and resid 84   and name HD1%)
   (  segid "    " and resid 22   and name HD1%)
      3.700     1.700     1.700 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.22242E-02 ppm1      0.167 ppm2     -0.450 CV     1
 ASSI { 1105}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 68   and name HN  ))
      4.300     2.400     1.700 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.11495E-02 ppm1      0.319 ppm2      9.000 CV     1
 ASSI { 1106}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 92   and name HN  ))
      3.800     1.800     1.800 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.15165E-02 ppm1      0.318 ppm2      8.746 CV     1
 ASSI { 1107}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 70   and name HN  ))
      3.800     1.800     1.800 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.10140E-02 ppm1      0.325 ppm2      8.589 CV     1
 ASSI { 1108}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 69   and name HN  ))
      2.700     0.900     0.900 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.41570E-02 ppm1      0.320 ppm2      8.470 CV     1
 ASSI { 1110}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 92   and name HA  ))
      4.000     2.000     2.000 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.10133E-02 ppm1      0.317 ppm2      4.906 CV     1
 ASSI { 1111}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 69   and name HA  ))
      3.800     1.800     1.800 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.10828E-02 ppm1      0.321 ppm2      4.813 CV     1
 ASSI { 1112}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 68   and name HA  ))
      2.700     0.900     0.900 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.70741E-02 ppm1      0.321 ppm2      4.500 CV     1
 ASSI { 1116}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 92   and name HB1 ))
      3.000     1.100     1.100 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.24509E-02 ppm1      0.321 ppm2      2.823 CV     1
 ASSI { 1117}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 92   and name HB2 ))
      3.700     1.700     1.700 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.27341E-02 ppm1      0.321 ppm2      2.372 CV     1
 ASSI { 1118}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 61   and name HB  ))
      3.500     1.500     1.500 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.15739E-02 ppm1      0.320 ppm2      1.693 CV     1
 ASSI { 1119}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 68   and name HB1 ))
      3.600     1.600     1.600 peak  1119 spectrum    1 weight  0.11000E+01 volume  0.24921E-02 ppm1      0.320 ppm2      1.562 CV     1
 ASSI { 1120}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 68   and name HB2 ))
      2.400     0.700     0.700 peak  1120 spectrum    1 weight  0.11000E+01 volume  0.55351E-02 ppm1      0.320 ppm2      1.283 CV     1
 ASSI { 1122}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 68   and name HG  ))
      2.200     0.600     0.600 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.77804E-02 ppm1      0.320 ppm2      1.061 CV     1
 ASSI { 1124}
   (  segid "    " and resid 68   and name HD1%)
   (  segid "    " and resid 68   and name HD2%)
      2.300     0.700     0.700 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.12920E-01 ppm1      0.320 ppm2      0.466 CV     1
 ASSI { 1135}
   (( segid "    " and resid 89   and name HG1 ))
   (( segid "    " and resid 90   and name HB1 ))
      4.600     2.600     1.400 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.86412E-03 ppm1      2.287 ppm2      3.095 CV     1
 ASSI { 1148}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 144  and name HB2 ))
      2.300     0.700     0.700 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.10382E-01 ppm1      2.231 ppm2      1.904 CV     1
 OR { 1148}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HB2 ))
 ASSI { 4537}
   (( segid "    " and resid 109  and name HG2%))
   (( segid "    " and resid 137  and name HB2 ))
      4.500     2.500     1.500 peak  4537 spectrum    1 weight  0.10000E+01 volume  0.10382E-01 ppm1      2.770 ppm2      0.574 CV     1
 ASSI { 4539}
   (( segid "    " and resid 109  and name HG2%))
   (( segid "    " and resid 137  and name HN ))
      5.000     3.200     1.000 peak  4539 spectrum    1 weight  0.10000E+01 volume  0.10382E-01 ppm1      2.770 ppm2      0.574 CV     1
 ASSI { 4536}
   (( segid "    " and resid 109  and name HG2%))
   (( segid "    " and resid 110  and name HB2 ))
      4.500     2.500     1.500 peak  4536 spectrum    1 weight  0.10000E+01 volume  0.10382E-01 ppm1      2.770 ppm2      0.574 CV     1
 ASSI { 1164}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HE1 ))
      1.900     0.400     0.400 peak  1164 spectrum    1 weight  0.11000E+01 volume  0.16130E-01 ppm1      1.674 ppm2      2.975 CV     1
 OR { 1164}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 26   and name HE2 ))
 OR { 1164}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 26   and name HE1 ))
 OR { 1164}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HE2 ))
 ASSI { 1165}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 4    and name HB2 ))
      3.800     1.800     1.800 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.76283E-03 ppm1      1.693 ppm2      2.752 CV     1
 OR { 1165}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI { 1189}
   (( segid "    " and resid 25   and name HG  ))
   (( segid "    " and resid 25   and name HN  ))
      3.600     1.600     1.600 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.63899E-03 ppm1      0.799 ppm2      7.916 CV     1
 ASSI { 1192}
   (  segid "    " and resid 73   and name HD2%)
   (( segid "    " and resid 74   and name HN  ))
      4.000     2.200     1.000 peak  1192 spectrum    1 weight  0.11000E+01 volume  0.77802E-03 ppm1      0.833 ppm2      6.917 CV     1
 ASSI { 1205}
   (( segid "    " and resid 25   and name HG  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.800     1.000     1.200 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.36922E-02 ppm1      0.799 ppm2      1.633 CV     1
 ASSI { 1225}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 25   and name HD1%)
      2.800     1.000     1.000 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.56466E-02 ppm1      0.798 ppm2     -0.011 CV     1
 ASSI { 1228}
   (  segid "    " and resid 98   and name HD2%)
   (( segid "    " and resid 100  and name HN  ))
      4.500     2.500     1.000 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.80657E-03 ppm1      0.953 ppm2      8.549 CV     1
 OR { 1228}
   (  segid "    " and resid 98   and name HD2%)
   (( segid "    " and resid 94   and name HN  ))
 ASSI { 1229}
   (  segid "    " and resid 98   and name HD2%)
   (( segid "    " and resid 98   and name HN  ))
      3.500     1.500     1.500 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.35005E-02 ppm1      0.955 ppm2      8.452 CV     1
 ASSI { 1230}
   (  segid "    " and resid 98   and name HD2%)
   (( segid "    " and resid 99   and name HN  ))
      4.700     2.800     1.300 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.65317E-03 ppm1      0.954 ppm2      8.240 CV     1
 ASSI { 1232}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 97   and name HA  ))
      4.800     2.800     1.200 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.10850E-02 ppm1      0.954 ppm2      4.482 CV     1
 OR { 1232}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 95   and name HA  ))
 ASSI { 1233}
   (  segid "    " and resid 98   and name HD2%)
   (( segid "    " and resid 98   and name HA  ))
      3.700     1.700     1.700 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.39319E-02 ppm1      0.955 ppm2      4.364 CV     1
 ASSI { 1241}
   (  segid "    " and resid 98   and name HD2%)
   (( segid "    " and resid 98   and name HB1 ))
      2.400     0.600     0.500 peak  1241 spectrum    1 weight  0.11000E+01 volume  0.17799E-01 ppm1      0.955 ppm2      1.752 CV     1
 ASSI { 1242}
   (  segid "    " and resid 98   and name HD2%)
   (( segid "    " and resid 98   and name HB2 ))
      2.400     0.600     0.700 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.17279E-01 ppm1      0.956 ppm2      1.714 CV     1
 ASSI { 1266}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HN  ))
      3.100     1.200     1.200 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.26182E-02 ppm1      0.510 ppm2      8.866 CV     1
 OR { 1266}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1268}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      4.000     2.200     1.400 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.92053E-03 ppm1      0.503 ppm2      8.196 CV     1
 OR { 1268}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1269}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      4.000     2.200     1.000 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.11167E-02 ppm1      0.502 ppm2      7.345 CV     1
 ASSI { 1273}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 84   and name HA  ))
      5.000     3.100     1.000 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.60992E-03 ppm1      0.512 ppm2      5.242 CV     1
 OR { 1273}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 84   and name HA  ))
 ASSI { 1276}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HA  ))
      3.800     1.800     1.800 peak  1276 spectrum    1 weight  0.11000E+01 volume  0.10639E-02 ppm1      0.518 ppm2      4.667 CV     1
 ASSI { 1281}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 11   and name HB  ))
      4.000     2.200     1.500 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.95088E-03 ppm1      0.510 ppm2      2.245 CV     1
 OR { 1281}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 11   and name HB  )) 
 ASSI { 1822}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 98   and name HN  ))
      2.800     0.700     0.700 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.59916E-02 ppm1      0.875 ppm2      8.453 CV     1
 ASSI {  899}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HD1 ))
      4.000     2.000     2.000 peak   899 spectrum    1 weight  0.10000E+01 volume  0.10879E-02 ppm1      7.091 ppm2      4.386 CV     1
 OR {  899}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
 ASSI { 1282}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 84   and name HB1 ))
      4.100     2.100     1.900 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.14271E-02 ppm1      0.506 ppm2      1.731 CV     1
 OR { 1282}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 84   and name HB1 ))
 ASSI { 1286}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 22   and name HG  ))
      3.200     1.400     1.200 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.69303E-02 ppm1      0.509 ppm2      0.922 CV     1
 OR { 1286}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 22   and name HG  ))
 ASSI { 1292}
   (  segid "    " and resid 77   and name HD1%)
   (  segid "    " and resid 22   and name HD1%)
      3.200     1.300     1.300 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.78668E-02 ppm1      0.509 ppm2     -0.446 CV     1
 OR { 1292}
   (  segid "    " and resid 77   and name HD2%)
   (  segid "    " and resid 22   and name HD1%)
 ASSI { 1307}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 26   and name HE2 ))
      2.700     2.700     3.300 peak  1307 spectrum    1 weight  0.11000E+01 volume  0.37401E-02 ppm1      1.435 ppm2      2.975 CV     1
 OR { 1307}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 26   and name HE1 ))
 ASSI { 1318}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      4.200     4.200     1.800 peak  1318 spectrum    1 weight  0.11000E+01 volume  0.93928E-03 ppm1      0.634 ppm2      7.752 CV     1
 ASSI { 1319}
   (  segid "    " and resid  73  and name HD2%)
   (( segid "    " and resid  88  and name HD% ))
      4.000     2.200     2.000 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.67940E-03 ppm1      0.633 ppm2      7.135 CV     1
 ASSI { 1327}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      2.900     2.900     3.100 peak  1327 spectrum    1 weight  0.11000E+01 volume  0.36356E-02 ppm1      0.634 ppm2      3.290 CV     1
 ASSI { 1331}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 140  and name HB2 ))
      2.800     1.000     1.000 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.34507E-02 ppm1      0.639 ppm2      1.484 CV     1
 OR { 1331}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 140  and name HB1 ))
 ASSI { 1333}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 140  and name HG  ))
      2.100     0.600     0.600 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.93228E-02 ppm1      0.637 ppm2      1.233 CV     1
 ASSI { 1334}
   (  segid "    " and resid 140  and name HD2%)
   (  segid "    " and resid 140  and name HD1%)
      2.300     0.600     0.600 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.12865E-01 ppm1      0.637 ppm2      0.842 CV     1
 ASSI { 1341}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.66336E-02 ppm1      0.676 ppm2      9.301 CV     1
 ASSI { 1342}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      3.500     1.500     1.000 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.44184E-02 ppm1      0.677 ppm2      8.845 CV     1
 ASSI { 1344}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 12   and name HN  ))
      4.100     2.100     1.900 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.86998E-03 ppm1      0.681 ppm2      7.994 CV     1
 ASSI { 1345}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
      4.200     2.200     1.800 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.23878E-02 ppm1      0.676 ppm2      7.821 CV     1
 ASSI { 1346}
   (  segid "    " and resid 19   and name HD1%)
   (  segid "    " and resid 20   and name HD% )
      4.700     2.800     1.300 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.75941E-03 ppm1      0.675 ppm2      7.446 CV     1
 ASSI { 1348}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 10   and name HE  ))
      4.000     2.200     2.000 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.11666E-02 ppm1      0.675 ppm2      6.906 CV     1
 ASSI { 1349}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
      3.500     1.500     1.300 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.25376E-02 ppm1      0.678 ppm2      5.494 CV     1
 ASSI { 1350}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.400     1.500     1.500 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.19017E-02 ppm1      0.677 ppm2      5.361 CV     1
 ASSI { 1351}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
      2.800     1.000     0.700 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.73761E-02 ppm1      0.671 ppm2      4.260 CV     1
 ASSI { 1353}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 21   and name HB2 ))
      3.500     1.500     1.500 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.17660E-02 ppm1      0.672 ppm2      2.174 CV     1
 ASSI { 1360}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
      2.200     0.600     0.600 peak  1360 spectrum    1 weight  0.11000E+01 volume  0.82924E-02 ppm1      1.275 ppm2      8.869 CV     1
 ASSI { 1363}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      2.500     0.700     0.600 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.10007E-01 ppm1      1.272 ppm2      7.984 CV     1
 ASSI { 1365}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 96   and name HN  ))
      3.300     1.300     1.300 peak  1365 spectrum    1 weight  0.11000E+01 volume  0.58394E-02 ppm1      1.250 ppm2      7.084 CV     1
 ASSI { 1366}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 79   and name HD% )
      3.500     1.500     1.500 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.15291E-02 ppm1      1.269 ppm2      6.813 CV     1
 OR { 1366}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 20   and name HE% )
 ASSI { 1368}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
      2.300     0.600     0.600 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.81833E-02 ppm1      1.272 ppm2      4.558 CV     1
 ASSI { 1370}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 96   and name HB  ))
      2.100     0.600     0.600 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.13251E-01 ppm1      1.253 ppm2      4.096 CV     1
 ASSI { 1378}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 11   and name HG1%)
      2.200     0.600     0.600 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.10274E-01 ppm1      1.274 ppm2      0.696 CV     1
 ASSI { 1379}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 77   and name HD2%)
      4.600     2.600     1.400 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.10202E-02 ppm1      1.276 ppm2      0.508 CV     1
 OR { 1379}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1380}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 84   and name HD1%)
      5.000     3.100     1.000 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.47953E-03 ppm1      1.273 ppm2      0.169 CV     1
 ASSI { 1387}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 141  and name HN  ))
      2.400     2.400     3.600 peak  1387 spectrum    1 weight  0.11000E+01 volume  0.18055E-02 ppm1      0.871 ppm2      7.089 CV     1
 ASSI { 1390}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      2.400     0.700     0.700 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.13615E-01 ppm1      0.923 ppm2      4.166 CV     1
 ASSI { 1405}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 121  and name HB  ))
      1.800     0.400     0.400 peak  1405 spectrum    1 weight  0.11000E+01 volume  0.32458E-01 ppm1      0.890 ppm2      1.988 CV     1
 OR { 1405}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 121  and name HB  ))
 ASSI { 1444}
   (  segid "    " and resid 11   and name HG1%)
   (( segid "    " and resid 12   and name HN  ))
      3.600     1.600     1.600 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.12241E-02 ppm1      0.694 ppm2      7.989 CV     1
 ASSI { 1445}
   (  segid "    " and resid 11   and name HG1%)
   (  segid "    " and resid 20   and name HD% )
      3.500     1.500     1.500 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.29883E-02 ppm1      0.692 ppm2      7.443 CV     1
 ASSI { 1453}
   (  segid "    " and resid 11   and name HG1%)
   (( segid "    " and resid 11   and name HB  ))
      2.200     0.600     0.600 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.46352E-02 ppm1      0.694 ppm2      2.244 CV     1
 ASSI { 1456}
   (  segid "    " and resid 11   and name HG1%)
   (  segid "    " and resid 77   and name HD1%)
      3.500     1.500     1.500 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.42658E-02 ppm1      0.695 ppm2      0.512 CV     1
 OR { 1456}
   (  segid "    " and resid 11   and name HG1%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1458}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 41   and name HN  ))
      4.900     2.900     1.100 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.12534E-02 ppm1      1.208 ppm2      9.101 CV     1
 ASSI { 1459}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      3.200     1.300     1.300 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.72620E-02 ppm1      1.208 ppm2      8.324 CV     1
 ASSI { 1460}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      2.800     1.000     1.000 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.52864E-02 ppm1      1.207 ppm2      8.224 CV     1
 ASSI { 1461}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      2.400     0.700     0.700 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.60338E-02 ppm1      1.208 ppm2      5.484 CV     1
 ASSI { 1463}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 40   and name HA  ))
      3.600     1.600     1.600 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.17801E-02 ppm1      1.207 ppm2      4.629 CV     1
 ASSI { 1464}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 39   and name HA  ))
      3.000     1.200     3.000 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.63472E-02 ppm1      1.207 ppm2      4.348 CV     1
 OR { 1464}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 36   and name HA  ))
 OR { 1464}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
 ASSI { 1465}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 34   and name HB  ))
      2.200     0.600     0.600 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.11082E-01 ppm1      1.208 ppm2      4.086 CV     1
 ASSI { 1470}
   (  segid "    " and resid 109  and name HG1%)
   (( segid "    " and resid 108  and name HN  ))
      2.800     2.800     3.200 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.70406E-03 ppm1      0.573 ppm2      9.669 CV     1
 ASSI { 1471}
   (  segid "    " and resid 109  and name HG1%)
   (( segid "    " and resid 110  and name HN  ))
      3.400     1.500     1.500 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.34393E-02 ppm1      0.574 ppm2      9.146 CV     1
 ASSI { 1472}
   (  segid "    " and resid 109  and name HG1%)
   (( segid "    " and resid 136  and name HN  ))
      3.500     1.500     1.500 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.17068E-02 ppm1      0.574 ppm2      8.829 CV     1
 ASSI { 1473}
   (  segid "    " and resid 109  and name HG1%)
   (( segid "    " and resid 109  and name HN  ))
      2.300     0.700     0.700 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.72742E-02 ppm1      0.574 ppm2      8.343 CV     1
 ASSI { 1474}
   (  segid "    " and resid 109  and name HG1%)
   (( segid "    " and resid 141  and name HN  ))
      4.500     2.600     1.500 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.12490E-02 ppm1      0.576 ppm2      7.087 CV     1
 OR { 1474}
   (  segid "    " and resid 109  and name HG1%)
   (( segid "    " and resid 137  and name HE2 ))
 ASSI { 1476}
   (  segid "    " and resid 109  and name HG1%)
   (( segid "    " and resid 135  and name HA  ))
      3.900     1.900     1.900 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.92799E-03 ppm1      0.576 ppm2      5.387 CV     1
 ASSI { 1478}
   (  segid "    " and resid 109  and name HG1%)
   (( segid "    " and resid 109  and name HA  ))
      2.700     0.900     0.900 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.63818E-02 ppm1      0.575 ppm2      4.356 CV     1
 ASSI { 1486}
   (  segid "    " and resid 109  and name HG1%)
   (( segid "    " and resid 109  and name HB  ))
      2.100     0.600     0.600 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.12352E-01 ppm1      0.575 ppm2      1.189 CV     1
 ASSI { 1489}
   (  segid "    " and resid 109  and name HG1%)
   (  segid "    " and resid 109  and name HG2%)
      2.800     1.000     0.500 peak  1489 spectrum    1 weight  0.11000E+01 volume  0.33077E-01 ppm1      0.575 ppm2      0.868 CV     1
 ASSI { 1519}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 127  and name HN  ))
      2.600     0.800     0.800 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.35455E-02 ppm1      2.415 ppm2      8.851 CV     1
 OR { 1519}
   (( segid "    " and resid 127  and name HG1 ))
   (( segid "    " and resid 127  and name HN  ))
 ASSI { 1520}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 125  and name HD% )
      3.900     1.900     1.900 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.20541E-02 ppm1      2.417 ppm2      7.412 CV     1
 OR { 1520}
   (( segid "    " and resid 127  and name HG1 ))
   (  segid "    " and resid 125  and name HD% )
 ASSI { 1521}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 125  and name HE% )
      4.400     2.400     1.600 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.17860E-02 ppm1      2.419 ppm2      7.278 CV     1
 OR { 1521}
   (( segid "    " and resid 127  and name HG1 ))
   (  segid "    " and resid 125  and name HE% )
 ASSI { 1522}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 126  and name HA  ))
      5.000     3.100     1.000 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.95005E-03 ppm1      2.417 ppm2      4.717 CV     1
 OR { 1522}
   (( segid "    " and resid 127  and name HG1 ))
   (( segid "    " and resid 126  and name HA  ))
 ASSI { 1525}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 127  and name HB1 ))
      2.100     0.600     0.600 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.14217E-01 ppm1      2.417 ppm2      2.095 CV     1
 OR { 1525}
   (( segid "    " and resid 127  and name HG1 ))
   (( segid "    " and resid 127  and name HB2 ))
 OR { 1525}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 127  and name HB2 ))
 OR { 1525}
   (( segid "    " and resid 127  and name HG1 ))
   (( segid "    " and resid 127  and name HB1 ))
 ASSI { 1528}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 144  and name HN  ))
      2.900     1.100     1.100 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.38706E-02 ppm1      1.901 ppm2      8.203 CV     1
 ASSI { 1561}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 26   and name HE2 ))
      3.000     3.000     3.000 peak  1561 spectrum    1 weight  0.11000E+01 volume  0.25372E-02 ppm1      1.334 ppm2      2.973 CV     1
 ASSI { 1567}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 88   and name HH  ))
      4.000     2.200     2.000 peak  1567 spectrum    1 weight  0.11000E+01 volume  0.16671E-02 ppm1      0.544 ppm2      9.226 CV     1
 ASSI { 1568}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 45   and name HN  ))
      3.900     1.900     1.900 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.16241E-02 ppm1      0.546 ppm2      8.492 CV     1
 ASSI { 1569}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 46   and name HN  ))
      3.300     1.500     1.000 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.18056E-02 ppm1      0.546 ppm2      8.286 CV     1
 ASSI { 1574}
   (  segid "    " and resid 45   and name HG1%)
   (  segid "    " and resid 108  and name HE% )
      4.000     2.200     2.000 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.26377E-02 ppm1      0.545 ppm2      6.448 CV     1
 ASSI { 1576}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 46   and name HB2 ))
      3.800     1.800     1.400 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.72091E-03 ppm1      0.544 ppm2      3.982 CV     1
 ASSI { 1577}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 45   and name HA  ))
      2.600     0.800     0.800 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.37211E-02 ppm1      0.544 ppm2      3.731 CV     1
 ASSI { 1580}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 45   and name HB  ))
      2.100     0.500     0.500 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.69132E-02 ppm1      0.544 ppm2      1.559 CV     1
 ASSI { 1590}
   (  segid "    " and resid 45   and name HG1%)
   (  segid "    " and resid 22   and name HD2%)
      3.500     1.500     1.500 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.22722E-02 ppm1      0.547 ppm2     -0.447 CV     1
 ASSI { 1602}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 96   and name HN  ))
      3.300     1.500     1.100 peak  1602 spectrum    1 weight  0.11000E+01 volume  0.19339E-02 ppm1      4.254 ppm2      7.079 CV     1
 ASSI { 1610}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.200     1.200     1.200 peak  1610 spectrum    1 weight  0.11000E+01 volume  0.14333E-02 ppm1      4.276 ppm2      7.761 CV     1
 ASSI { 1611}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.200     2.200     1.800 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.65557E-03 ppm1      4.275 ppm2      6.739 CV     1
 ASSI { 1614}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.100     0.500     0.500 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.10705E-01 ppm1      4.273 ppm2      2.385 CV     1
 ASSI { 1615}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.400     1.500     1.500 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.54994E-02 ppm1      4.275 ppm2      2.160 CV     1
 OR { 1615}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG1 ))
 ASSI { 1616}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.600     0.900     0.900 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.65526E-02 ppm1      4.274 ppm2      2.042 CV     1
 ASSI { 1619}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HN  ))
      3.000     1.100     1.100 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.21598E-02 ppm1      4.214 ppm2      9.184 CV     1
 ASSI { 1620}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 113  and name HN  ))
      3.100     1.200     1.200 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.19158E-02 ppm1      4.217 ppm2      8.296 CV     1
 ASSI { 1621}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.200     1.300     1.300 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.10188E-02 ppm1      4.234 ppm2      7.910 CV     1
 ASSI { 1627}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.900     2.900     3.100 peak  1627 spectrum    1 weight  0.11000E+01 volume  0.25417E-02 ppm1      4.219 ppm2      4.098 CV     1
 ASSI { 1647}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 147  and name HD1 ))
      1.800     0.400     0.400 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.14968E-01 ppm1      4.387 ppm2      3.871 CV     1
 ASSI { 1648}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 147  and name HD2 ))
      1.900     0.400     0.400 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.11473E-01 ppm1      4.388 ppm2      3.651 CV     1
 ASSI { 1651}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 147  and name HB1 ))
      4.300     2.300     1.700 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.13399E-02 ppm1      4.381 ppm2      2.253 CV     1
 ASSI { 1656}
   (( segid "    " and resid 146  and name HA  ))
   (  segid "    " and resid 146  and name HG1%)
      2.200     0.600     0.600 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.12661E-01 ppm1      4.387 ppm2      0.938 CV     1
 OR { 1656}
   (( segid "    " and resid 146  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
 ASSI { 1660}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      4.600     2.600     1.400 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.88188E-03 ppm1      4.009 ppm2      7.352 CV     1
 ASSI { 1670}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG1 ))
      2.900     1.100     1.100 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.43868E-02 ppm1      4.012 ppm2      2.312 CV     1
 OR { 1670}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI { 1681}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.400     0.700     0.700 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.82441E-02 ppm1      4.427 ppm2      3.881 CV     1
 ASSI { 1709}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.400     1.400 peak  1709 spectrum    1 weight  0.11000E+01 volume  0.17682E-02 ppm1      4.286 ppm2      6.746 CV     1
 ASSI { 1717}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HB% )
      2.100     0.500     0.500 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.15698E-01 ppm1      4.286 ppm2      1.539 CV     1
 ASSI { 1724}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 48   and name HA  ))
      3.200     1.200     1.200 peak  1724 spectrum    1 weight  0.11000E+01 volume  0.22465E-02 ppm1      4.265 ppm2      3.792 CV     1
 ASSI { 1736}
   (( segid "    " and resid 147  and name HD1 ))
   (( segid "    " and resid 147  and name HD2 ))
      1.400     0.200     0.800 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.19790E-01 ppm1      3.871 ppm2      3.651 CV     1
 ASSI { 1738}
   (( segid "    " and resid 147  and name HD1 ))
   (( segid "    " and resid 147  and name HB2 ))
      4.300     2.300     1.700 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.14283E-02 ppm1      3.870 ppm2      1.767 CV     1
 ASSI { 1740}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.000     1.000 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.25016E-02 ppm1      1.489 ppm2      7.816 CV     1
 ASSI { 1741}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HN  ))
      2.300     0.700     0.700 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.22894E-02 ppm1      1.482 ppm2      7.755 CV     1
 ASSI { 1743}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
      4.900     3.000     1.100 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.67329E-03 ppm1      1.486 ppm2      3.944 CV     1
 ASSI { 1744}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.100     1.200     1.200 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.12612E-02 ppm1      1.477 ppm2      3.286 CV     1
 ASSI { 1753}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HB2 ))
      1.600     0.300     0.600 peak  1753 spectrum    1 weight  0.11000E+01 volume  0.10575E-01 ppm1      1.485 ppm2      1.173 CV     1
 ASSI { 1755}
   (( segid "    " and resid 19   and name HB1 ))
   (  segid "    " and resid 19   and name HD2%)
      3.100     1.200     1.200 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.32882E-02 ppm1      1.489 ppm2      0.735 CV     1
 ASSI { 1761}
   (( segid "    " and resid 123  and name HB2 ))
   (( segid "    " and resid 123  and name HA  ))
      2.900     1.100     1.100 peak  1761 spectrum    1 weight  0.11000E+01 volume  0.25850E-02 ppm1      1.164 ppm2      4.236 CV     1
 ASSI { 1763}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      2.600     0.900     0.900 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.11447E-02 ppm1      1.170 ppm2      3.287 CV     1
 ASSI { 1777}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 73   and name HD2%)
      2.700     0.900     0.900 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.33107E-02 ppm1      1.168 ppm2      0.846 CV     1
 ASSI { 1789}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HB1 ))
      2.900     1.000     1.000 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.30011E-02 ppm1      0.168 ppm2      1.737 CV     1
 ASSI { 1793}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 20   and name HB1 ))
      2.400     0.700     0.700 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.37897E-02 ppm1      0.168 ppm2      3.015 CV     1
 ASSI { 1794}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 20   and name HB2 ))
      3.400     1.400     1.400 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.28335E-02 ppm1      0.168 ppm2      2.615 CV     1
 ASSI { 1795}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HA  ))
      2.400     0.700     0.700 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.63008E-02 ppm1      0.168 ppm2      5.245 CV     1
 ASSI { 1797}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 141  and name HA  ))
      3.000     3.000     3.000 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.20274E-02 ppm1      0.168 ppm2      4.552 CV     1
 ASSI { 1798}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 83   and name HA  ))
      4.600     2.600     1.400 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.11337E-02 ppm1      0.168 ppm2      4.427 CV     1
 ASSI { 1804}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 98   and name HA  ))
      3.000     1.200     1.100 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.18167E-01 ppm1      0.875 ppm2      4.363 CV     1
 ASSI { 1805}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 95   and name HA  ))
      3.500     1.500     1.300 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.76024E-02 ppm1      0.875 ppm2      4.254 CV     1
 OR { 1805}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 99   and name HA  ))
 ASSI { 1807}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 97   and name HA  ))
      4.000     2.200     2.000 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.14618E-02 ppm1      0.876 ppm2      4.487 CV     1
 ASSI { 1810}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 108  and name HE% )
      3.500     1.500     1.200 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.29407E-02 ppm1      0.643 ppm2      6.452 CV     1
 ASSI { 1812}
   (  segid "    " and resid 84   and name HD1%)
   (  segid "    " and resid 20   and name HD% )
      3.500     1.700    1.200 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.37614E-02 ppm1      0.169 ppm2      7.442 CV     1
 ASSI { 1813}
   (  segid "    " and resid 84   and name HD1%)
   (  segid "    " and resid 20   and name HE% )
      2.800     1.000     1.500 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.11027E-01 ppm1      0.168 ppm2      6.810 CV     1
 ASSI { 1816}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 85   and name HN  ))
      3.100     1.200     1.200 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.31583E-02 ppm1      0.169 ppm2      9.063 CV     1
 ASSI { 1818}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 80   and name HN  ))
      4.000     2.200     1.800 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.21291E-02 ppm1      0.168 ppm2      8.408 CV     1
 ASSI { 1819}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HN  ))
      3.900     1.900     1.900 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.20650E-02 ppm1      0.168 ppm2      8.302 CV     1
 ASSI { 1821}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 100  and name HN  ))
      4.300     2.300     1.700 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.14711E-02 ppm1      0.876 ppm2      8.558 CV     1
 OR { 1821}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 94   and name HN  ))
 ASSI { 1828}
   (  segid "    " and resid 98   and name HD1%)
   (  segid "    " and resid 95   and name HB1 )
      3.300     1.500     1.500 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.27945E-02 ppm1      0.875 ppm2      2.074 CV     1
 ASSI { 1831}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 99   and name HB2 ))
      3.300     1.500     1.100 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.67055E-02 ppm1      0.876 ppm2      1.869 CV     1
 OR { 1831}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 99   and name HB1 ))
 ASSI { 1832}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 98   and name HG  ))
      2.400     0.600     0.500 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.19652E-01 ppm1      0.875 ppm2      1.771 CV     1
 ASSI { 1833}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 98   and name HB2 ))
      2.400     0.600     0.500 peak  1833 spectrum    1 weight  0.11000E+01 volume  0.15592E-01 ppm1      0.875 ppm2      1.707 CV     1
 ASSI { 1839}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
      2.600     0.800     0.800 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.27336E-02 ppm1      0.639 ppm2      3.735 CV     1
 ASSI { 1840}
   (  segid "    " and resid 84   and name HD1%)
   (  segid "    " and resid 84   and name HD2%)
      2.800     1.000     0.500 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.15840E-01 ppm1      0.168 ppm2      0.436 CV     1
 ASSI { 1841}
   (  segid "    " and resid 84   and name HD1%)
   (  segid "    " and resid 11   and name HG1%)
      2.800     1.000     1.000 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.11557E-01 ppm1      0.168 ppm2      0.693 CV     1
 ASSI { 1842}
   (  segid "    " and resid 84   and name HD1%)
   (  segid "    " and resid 77   and name HD1%)
      2.800     1.000     1.200 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.52989E-02 ppm1      0.169 ppm2      0.530 CV     1
 OR { 1842}
   (  segid "    " and resid 84   and name HD1%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1849}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 77   and name HD1%)
      2.400     0.700     0.700 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.50962E-02 ppm1     -0.017 ppm2      0.526 CV     1
 OR { 1849}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1850}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 84   and name HD2%)
      2.600     0.800     0.800 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.46047E-02 ppm1     -0.018 ppm2      0.437 CV     1
 ASSI { 1852}
   (  segid "    " and resid 67   and name HG2%)
   (( segid "    " and resid 52   and name HB2 ))
      2.400     2.400     3.600 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.20420E-02 ppm1      1.073 ppm2      3.820 CV     1
 ASSI { 1853}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HB  ))
      2.500     0.800     0.800 peak  1853 spectrum    1 weight  0.11000E+01 volume  0.32883E-02 ppm1      1.280 ppm2      3.748 CV     1
 ASSI { 1854}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HA  ))
      2.400     0.700     0.700 peak  1854 spectrum    1 weight  0.11000E+01 volume  0.71582E-02 ppm1      1.281 ppm2      3.637 CV     1
 ASSI { 1857}
   (  segid "    " and resid 67   and name HG2%)
   (( segid "    " and resid 67   and name HB  ))
      2.200     0.600     0.600 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.97055E-02 ppm1      1.073 ppm2      3.990 CV     1
 ASSI { 1861}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      3.700     1.700     1.700 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.13042E-02 ppm1     -0.018 ppm2      8.194 CV     1
 ASSI { 1862}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 108  and name HD% )
      3.100     1.200     1.200 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.13702E-02 ppm1     -0.017 ppm2      6.731 CV     1
 ASSI { 1863}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 108  and name HE% )
      3.200     3.200     2.800 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.13705E-02 ppm1     -0.012 ppm2      6.462 CV     1
 ASSI { 1869}
   (  segid "    " and resid 67   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
      3.100     1.200     1.200 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.33350E-02 ppm1      1.074 ppm2      8.380 CV     1
 ASSI { 1876}
   (  segid "    " and resid 123  and name HD1%)
   (( segid "    " and resid 123  and name HN  ))
      2.800     1.000     1.000 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.32970E-02 ppm1      0.686 ppm2      8.538 CV     1
 ASSI { 1879}
   (  segid "    " and resid 59   and name HG2%)
   (  segid "    " and resid 106  and name HE% )
      3.900     1.900     1.200 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.15442E-02 ppm1      1.156 ppm2      6.296 CV     1
 ASSI { 1881}
   (  segid "    " and resid 67   and name HG2%)
   (( segid "    " and resid 62   and name HA  ))
      3.500     1.500     1.200 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.24427E-02 ppm1      1.075 ppm2      4.917 CV     1
  ASSI { 1882}
   (  segid "    " and resid 67   and name HG2%)
   (( segid "    " and resid 67   and name HA  ))
      2.500     0.800     0.800 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.48748E-02 ppm1      1.072 ppm2      4.820 CV     1
 ASSI { 1883}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 24   and name HB2 ))
      3.600     3.600     2.400 peak  1883 spectrum    1 weight  0.11000E+01 volume  0.91973E-02 ppm1      1.278 ppm2      4.069 CV     1
 OR { 1883}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 24   and name HB1 ))
 ASSI { 1885}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 26   and name HE2 ))
      3.800     1.800     1.500 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.20824E-02 ppm1      1.272 ppm2      2.974 CV     1
 OR { 1885}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 26   and name HE1 ))
 ASSI { 1886}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 75   and name HE2 ))
      3.800     1.800     1.200 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.15354E-02 ppm1      1.272 ppm2      2.867 CV     1
 OR { 1886}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 75   and name HE1 ))
 ASSI { 1888}
   (  segid "    " and resid 59   and name HG1%)
   (  segid "    " and resid 70   and name HB% )
      2.200     0.600     0.600 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.90227E-02 ppm1      0.950 ppm2      1.302 CV     1
 ASSI { 1890}
   (  segid "    " and resid 123  and name HD1%)
   (( segid "    " and resid 123  and name HB2 ))
      2.000     0.500     0.500 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.11788E-01 ppm1      0.684 ppm2      1.177 CV     1
 ASSI { 1898}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      2.600     0.800     0.800 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.40502E-02 ppm1      0.857 ppm2      8.209 CV     1
 ASSI { 1901}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 108  and name HN  ))
      3.300     1.500     1.100 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.25128E-02 ppm1      0.863 ppm2      9.667 CV     1
 OR { 1901}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 108  and name HN  ))
 ASSI { 1907}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 48   and name HN  ))
      2.800     1.000     0.600 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.10894E-01 ppm1      1.255 ppm2      8.462 CV     1
 ASSI { 1908}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 44   and name HD21))
      3.300     1.400     1.400 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.34587E-02 ppm1      1.257 ppm2      7.594 CV     1
 ASSI { 1909}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 47   and name HN  ))
      2.500     0.800     0.800 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.55595E-02 ppm1      1.256 ppm2      7.272 CV     1
 ASSI { 1911}
   (  segid "    " and resid 123  and name HD1%)
   (( segid "    " and resid 124  and name HN  ))
      4.000     2.000     2.000 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.21014E-02 ppm1      0.685 ppm2      6.527 CV     1
 ASSI { 1914}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 83   and name HA  ))
      2.100     0.600     0.600 peak  1914 spectrum    1 weight  0.11000E+01 volume  0.14305E-01 ppm1      0.857 ppm2      4.427 CV     1
 ASSI { 1916}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HB  ))
      2.100     0.600     0.600 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.13387E-01 ppm1      0.858 ppm2      3.709 CV     1
 ASSI { 1917}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 107  and name HB2 ))
      3.300     1.500     1.200 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.56861E-02 ppm1      0.859 ppm2      3.595 CV     1
 OR { 1917}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 107  and name HB2 ))
 ASSI { 1918}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 17   and name HA2 ))
      3.600     1.800     1.000 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.26812E-02 ppm1      0.857 ppm2      3.500 CV     1
 ASSI { 1920}
   (  segid "    " and resid 123  and name HD1%)
   (( segid "    " and resid 135  and name HB1 ))
      2.500     0.800     0.800 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.41415E-02 ppm1      0.684 ppm2      3.773 CV     1
 ASSI { 1923}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 75   and name HD1 ))
      3.300     1.400     2.000 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.44750E-02 ppm1      1.261 ppm2      1.609 CV     1
 OR { 1923}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 75   and name HD2 ))
 OR { 1923}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 26   and name HD2 ))
 OR { 1923}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 26   and name HD1 ))
 OR { 1923}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 61   and name HG11))
 OR { 1923}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 61   and name HG12))
 ASSI { 1929}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
      4.000     2.000     2.000 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.98748E-03 ppm1      0.956 ppm2      6.894 CV     1
 ASSI { 1930}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 83   and name HN  ))
      2.600     0.800     0.800 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.10675E-01 ppm1      0.848 ppm2      7.520 CV     1
 OR { 1930}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 83   and name HN  ))
 ASSI { 1932}
   (  segid "    " and resid 129  and name HG2%)
   (( segid "    " and resid 128  and name HN  ))
      4.000     2.200     2.000 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.15535E-02 ppm1      1.079 ppm2      8.164 CV     1
 ASSI { 1936}
   (  segid "    " and resid 146  and name HG1%)
   (( segid "    " and resid 146  and name HN  ))
      2.500     0.800     0.800 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.12151E-01 ppm1      0.932 ppm2      8.189 CV     1
 OR { 1936}
   (  segid "    " and resid 146  and name HG1%)
   (( segid "    " and resid 146  and name HN  ))
 OR { 1936}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 146  and name HN  ))
 OR { 1936}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 146  and name HN  ))
 ASSI { 1937}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      2.400     0.700     0.700 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.12940E-01 ppm1      0.925 ppm2      8.091 CV     1
 OR { 1937}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 5    and name HN  ))
 ASSI { 1938}
   (  segid "    " and resid 121  and name HG1%)
   (( segid "    " and resid 121  and name HN  ))
      2.600     0.900     0.900 peak  1938 spectrum    1 weight  0.11000E+01 volume  0.80045E-02 ppm1      0.894 ppm2      8.733 CV     1
 OR { 1938}
   (  segid "    " and resid 121  and name HG2%)
   (( segid "    " and resid 121  and name HN  ))
 ASSI { 1939}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 87   and name HN  ))
      3.200     1.300     1.300 peak  1939 spectrum    1 weight  0.11000E+01 volume  0.33746E-02 ppm1      0.488 ppm2      8.769 CV     1
 ASSI { 1940}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 88   and name HN  ))
      3.700     1.700     1.700 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.24623E-02 ppm1      0.491 ppm2      9.220 CV     1
 ASSI { 1941}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 106  and name HN  ))
      3.900     1.900     1.900 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.12418E-02 ppm1      0.489 ppm2      9.424 CV     1
 ASSI { 1943}
   (  segid "    " and resid 129  and name HG2%)
   (( segid "    " and resid 129  and name HN  ))
      2.400     0.700     0.700 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.29164E-02 ppm1      1.079 ppm2      6.666 CV     1
 ASSI { 1944}
   (  segid "    " and resid 87   and name HG1%)
   (  segid "    " and resid 105  and name HD% )
      3.100     1.200     1.200 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.24718E-02 ppm1      0.488 ppm2      6.967 CV     1
 ASSI { 1945}
   (  segid "    " and resid 87   and name HG1%)
   (  segid "    " and resid 105  and name HE% )
      3.400     1.400     1.500 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.22868E-02 ppm1      0.487 ppm2      6.735 CV     1
 ASSI { 1946}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 105  and name HA  ))
      2.600     0.900     0.900 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.24028E-02 ppm1      0.487 ppm2      5.073 CV     1
 ASSI { 1947}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 87   and name HA  ))
      2.600     0.800     0.800 peak  1947 spectrum    1 weight  0.11000E+01 volume  0.32316E-02 ppm1      0.488 ppm2      4.846 CV     1
 ASSI { 1948}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 86   and name HA  ))
      4.400     2.400     1.600 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.10493E-02 ppm1      0.486 ppm2      4.664 CV     1
 ASSI { 1950}
   (  segid "    " and resid  16  and name HG2%)
   (( segid "    " and resid  16  and name HA  ))
      2.800     1.000     1.000 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.10548E-01 ppm1      1.107 ppm2      4.504 CV     1
 ASSI { 1951}
   (  segid "    " and resid  16  and name HG2%)
   (( segid "    " and resid  16  and name HB  ))
      2.800     1.000     0.500 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.12445E-01 ppm1      1.100 ppm2      4.335 CV     1
 ASSI { 4653}
   (  segid "    " and resid  16  and name HG2%)
   (( segid "    " and resid  15  and name HB% ))
      3.300     1.500     1.500 peak  4653 spectrum    1 weight  0.10000E+01 volume  0.12445E-01 ppm1      1.100 ppm2      1.541 CV     1
 ASSI { 1942}
   (  segid "    " and resid  16  and name HG2%)
   (( segid "    " and resid  16  and name HN ))
      3.300     1.500     1.500 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.12445E-01 ppm1      1.100 ppm2      6.750 CV     1
 ASSI { 1935}
   (  segid "    " and resid  16  and name HG2%)
   (( segid "    " and resid  13  and name HD21))
      3.300     1.500     1.500 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.12445E-01 ppm1      1.100 ppm2      7.312 CV     1
 ASSI { 4472}
   (  segid "    " and resid  16  and name HG2%)
   (( segid "    " and resid  17  and name HN  ))
      3.300     1.500     1.500 peak  4472 spectrum    1 weight  0.10000E+01 volume  0.12445E-01 ppm1      1.100 ppm2      8.733 CV     1
 ASSI { 3323}
   (  segid "    " and resid  16  and name HG2%)
   (( segid "    " and resid  13  and name HD22))
      3.300     1.500     1.500 peak  3323 spectrum    1 weight  0.10000E+01 volume  0.12445E-01 ppm1      1.100 ppm2      9.455 CV     1
 ASSI { 1933}
   (  segid "    " and resid  16  and name HG2%)
   (( segid "    " and resid  18  and name HN  ))
      4.000     2.200     1.500 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.12445E-01 ppm1      1.100 ppm2      9.455 CV     1
 OR { 1933}
   (  segid "    " and resid  16  and name HG2%)
   (( segid "    " and resid  19  and name HN  ))
 ASSI { 4637}
   (  segid "    " and resid 129  and name HG2%)
   (( segid "    " and resid 129  and name HB  ))
      2.800     1.000     0.500 peak  4637 spectrum    1 weight  0.10000E+01 volume  0.12445E-01 ppm1      1.100 ppm2      4.335 CV     1
 ASSI { 1952}
   (  segid "    " and resid 129  and name HG2%)
   (( segid "    " and resid 129  and name HA  ))
      2.800     1.000     1.000 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.91406E-02 ppm1      1.082 ppm2      4.452 CV     1
 ASSI { 1954}
   (  segid "    " and resid 146  and name HG1%)
   (( segid "    " and resid 147  and name HD1 ))
      3.800     1.800     1.800 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.37554E-02 ppm1      0.935 ppm2      3.871 CV     1
 OR { 1954}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 147  and name HD1 ))
 ASSI { 1955}
   (  segid "    " and resid 87   and name HG2%)
   (  segid "    " and resid 87   and name HG1%)
      2.200     0.600     0.600 peak  1955 spectrum    1 weight  0.11000E+01 volume  0.14776E-01 ppm1      0.767 ppm2      0.490 CV     1
 ASSI { 1957}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 87   and name HB  ))
      2.100     0.500     0.500 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.11038E-01 ppm1      0.487 ppm2      1.818 CV     1
 ASSI { 1959}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HB  ))
      1.800     0.400     0.400 peak  1959 spectrum    1 weight  0.11000E+01 volume  0.39665E-01 ppm1      0.931 ppm2      2.076 CV     1
 OR { 1959}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 5    and name HB  ))
 ASSI { 1963}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 148  and name HN  ))
      3.300     1.500     1.200 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.26306E-02 ppm1      0.932 ppm2      8.372 CV     1
 OR { 1963}
   (  segid "    " and resid 146  and name HG1%)
   (( segid "    " and resid 148  and name HN  ))
 ASSI { 1968}
   (  segid "    " and resid 54   and name HB% )
   (( segid "    " and resid 55   and name HN  ))
      2.800     1.000     0.500 peak  1968 spectrum    1 weight  0.11000E+01 volume  0.12894E-01 ppm1      1.429 ppm2      8.405 CV     1
 ASSI { 1969}
   (  segid "    " and resid 54   and name HB% )
   (( segid "    " and resid 54   and name HN  ))
      2.500     0.800     0.800 peak  1969 spectrum    1 weight  0.11000E+01 volume  0.10149E-01 ppm1      1.427 ppm2      8.352 CV     1
 ASSI { 1972}
   (  segid "    " and resid 138  and name HG2%)
   (( segid "    " and resid 136  and name HE1 ))
      4.400     2.400     1.600 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.72183E-03 ppm1      1.091 ppm2      9.787 CV     1
 ASSI { 1974}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 58   and name HN  ))
      3.500     1.500     1.500 peak  1974 spectrum    1 weight  0.11000E+01 volume  0.18090E-02 ppm1      1.195 ppm2      9.649 CV     1
 ASSI { 1975}
   (  segid "    " and resid 138  and name HG2%)
   (( segid "    " and resid 139  and name HN  ))
      4.500     2.500     1.500 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.61977E-03 ppm1      1.098 ppm2      9.369 CV     1
 ASSI { 1976}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 73   and name HN  ))
      3.900     1.900     1.900 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.75720E-03 ppm1      0.264 ppm2      7.745 CV     1
 ASSI { 1977}
   (  segid "    " and resid 58   and name HB% )
   (  segid "    " and resid 88   and name HD% )
      3.300     1.300     1.300 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.96336E-03 ppm1      0.262 ppm2      7.117 CV     1
 ASSI { 1980}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.900     0.900 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.14450E-02 ppm1      0.266 ppm2      9.648 CV     1
 ASSI { 1982}
   (  segid "    " and resid 138  and name HG2%)
   (( segid "    " and resid 141  and name HN  ))
      2.300     0.700     0.700 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.45271E-02 ppm1      1.096 ppm2      7.112 CV     1
 ASSI { 1983}
   (  segid "    " and resid 138  and name HG2%)
   (( segid "    " and resid 136  and name HD1 ))
      3.300     1.400     1.400 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.11458E-02 ppm1      1.097 ppm2      6.905 CV     1
 ASSI { 1984}
   (  segid "    " and resid 138  and name HG2%)
   (  segid "    " and resid 108  and name HE% )
      2.200     2.200     3.800 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.28187E-02 ppm1      1.095 ppm2      6.483 CV     1
 ASSI { 1986}
   (  segid "    " and resid 138  and name HG2%)
   (( segid "    " and resid 138  and name HA  ))
      3.400     1.400     1.400 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.18733E-02 ppm1      1.096 ppm2      5.197 CV     1
 ASSI { 1988}
   (  segid "    " and resid 138  and name HG2%)
   (( segid "    " and resid 142  and name HN  ))
      4.600     2.600     1.400 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.10932E-02 ppm1      1.100 ppm2      7.530 CV     1
 ASSI { 1990}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 59   and name HN  ))
      3.300     1.400     1.400 peak  1990 spectrum    1 weight  0.11000E+01 volume  0.25194E-02 ppm1      1.194 ppm2      6.894 CV     1
 ASSI { 1992}
   (  segid "    " and resid 54   and name HB% )
   (( segid "    " and resid 55   and name HD22))
      4.300     2.300     1.700 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.14216E-02 ppm1      1.430 ppm2      7.791 CV     1
 ASSI { 1993}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 72   and name HA  ))
      3.800     1.800     1.800 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.11004E-02 ppm1      0.263 ppm2      4.504 CV     1
 ASSI { 1994}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 58   and name HA  ))
      2.300     0.700     0.700 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.35968E-02 ppm1      0.264 ppm2      4.271 CV     1
 ASSI { 1997}
   (  segid "    " and resid 58   and name HB% )
   (( segid "    " and resid 73   and name HA  ))
      2.200     0.600     0.600 peak  1997 spectrum    1 weight  0.11000E+01 volume  0.23618E-02 ppm1      0.262 ppm2      3.288 CV     1
 ASSI { 1999}
   (  segid "    " and resid 138  and name HG2%)
   (( segid "    " and resid 138  and name HB  ))
      2.200     0.600     0.600 peak  1999 spectrum    1 weight  0.11000E+01 volume  0.43362E-02 ppm1      1.095 ppm2      4.270 CV     1
 ASSI { 2001}
   (  segid "    " and resid 138  and name HG2%)
   (  segid "    " and resid 22   and name HD2%)
      3.300     1.500     1.200 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.39376E-02 ppm1      1.095 ppm2     -0.013 CV     1
 ASSI { 2012}
   (  segid "    " and resid 41   and name HG2%)
   (  segid "    " and resid 134  and name HE% )
      3.000     1.200     1.200 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.26318E-02 ppm1      0.868 ppm2      7.095 CV     1
 ASSI { 2013}
   (  segid "    " and resid 138  and name HG2%)
   (  segid "    " and resid 108  and name HD% )
      2.500     0.800     0.800 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.31138E-02 ppm1      1.095 ppm2      6.730 CV     1
 ASSI { 2014}
   (  segid "    " and resid 138  and name HG2%)
   (( segid "    " and resid 138  and name HN  ))
      2.300     0.700     0.700 peak  2014 spectrum    1 weight  0.11000E+01 volume  0.35027E-02 ppm1      1.094 ppm2      9.099 CV     1
 ASSI { 2016}
   (  segid "    " and resid 138  and name HG2%)
   (( segid "    " and resid 109  and name HN  ))
      3.700     1.700     1.700 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.11853E-02 ppm1      1.093 ppm2      8.346 CV     1
 ASSI { 2017}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HN  ))
      3.800     1.800     1.800 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.13336E-02 ppm1      0.866 ppm2      9.096 CV     1
 ASSI { 2018}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 42   and name HN  ))
      2.900     1.100     1.100 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.18893E-02 ppm1      0.868 ppm2      8.877 CV     1
 ASSI { 2023}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 100  and name HG2 ))
      2.900     1.000     1.300 peak  2023 spectrum    1 weight  0.11000E+01 volume  0.64860E-02 ppm1      2.104 ppm2      2.431 CV     1
 OR { 2023}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 128  and name HG2 ))
 OR { 2023}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 128  and name HG1 ))
 ASSI { 2024}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 100  and name HG1 ))
      2.400     0.700     0.700 peak  2024 spectrum    1 weight  0.11000E+01 volume  0.76313E-02 ppm1      2.104 ppm2      2.527 CV     1
 ASSI { 2027}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 129  and name HB  ))
      3.000     1.200     1.500 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.31383E-02 ppm1      2.104 ppm2      4.333 CV     1
 ASSI { 2028}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 96   and name HB  ))
      4.000     2.200     2.000 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.12621E-02 ppm1      2.103 ppm2      4.102 CV     1
 ASSI { 2037}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 22   and name HD2%)
      3.700     1.700     1.700 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.19152E-02 ppm1     -0.016 ppm2     -0.443 CV     1
 ASSI { 2038}
   (  segid "    " and resid 84   and name HD2%)
   (  segid "    " and resid 20   and name HD% )
      3.300     1.500     1.000 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.27153E-02 ppm1      0.434 ppm2      7.442 CV     1
 ASSI { 2040}
   (  segid "    " and resid 84   and name HD2%)
   (  segid "    " and resid 20   and name HE% )
      3.400     1.500     1.500 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.24509E-02 ppm1      0.435 ppm2      6.804 CV     1
 ASSI { 2044}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 138  and name HG2%)
      3.800     1.800     1.800 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.12714E-02 ppm1     -0.017 ppm2      1.099 CV     1
 ASSI { 2045}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 140  and name HD1%)
      3.800     1.800     2.200 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.28585E-02 ppm1     -0.014 ppm2      0.799 CV     1
 ASSI { 2047}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 45   and name HG1%)
      3.500     1.500     1.500 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.32628E-02 ppm1     -0.016 ppm2      0.538 CV     1
 ASSI { 2053}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 108  and name HE% )
      3.200     1.300     1.300 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.21550E-02 ppm1     -0.011 ppm2      6.465 CV     1
  ASSI { 2057}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 10   and name HD1 ))
      3.800     1.800     1.500 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.16368E-02 ppm1      0.738 ppm2      3.069 CV     1
 ASSI { 2065}
   (  segid "    " and resid 86   and name HD2%)
   (  segid "    " and resid 108  and name HE% )
      3.800     1.800     1.800 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.25615E-02 ppm1      0.640 ppm2      6.454 CV     1
 ASSI { 2066}
   (  segid "    " and resid 123  and name HD2%)
   (  segid "    " and resid 133  and name HE% )
      4.500     2.500     1.500 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.13932E-02 ppm1      0.672 ppm2      6.238 CV     1
 ASSI { 2068}
   (  segid "    " and resid 123  and name HD2%)
   (( segid "    " and resid 124  and name HN  ))
      4.800     2.900     1.200 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.13276E-02 ppm1      0.689 ppm2      6.535 CV     1
 ASSI { 2069}
   (  segid "    " and resid 123  and name HD2%)
   (( segid "    " and resid 123  and name HN  ))
      4.000     2.000     2.000 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.21944E-02 ppm1      0.688 ppm2      8.540 CV     1
 ASSI { 2076}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 19   and name HN  ))
      4.500     2.500     1.500 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.14277E-02 ppm1      0.739 ppm2      7.823 CV     1
 ASSI { 2079}
   (( segid "    " and resid 65   and name HG1 ))
   (( segid "    " and resid 65   and name HD1 ))
      2.400     0.800     0.700 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.24765E-02 ppm1      2.063 ppm2      4.018 CV     1
 ASSI { 2082}
   (( segid "    " and resid 65   and name HG1 ))
   (( segid "    " and resid 65   and name HD2 ))
      3.000     1.400     1.200 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.21468E-02 ppm1      2.067 ppm2      3.724 CV     1
 ASSI { 2087}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HB2 ))
      2.400     2.400     3.600 peak  2087 spectrum    1 weight  0.11000E+01 volume  0.51977E-02 ppm1      0.622 ppm2      1.829 CV     1
 OR { 2087}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HB1 ))
 ASSI { 2088}
   (  segid "    " and resid 43   and name HD2%)
   (  segid "    " and resid 33   and name HD1%)
      3.000     1.200     1.200 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.13588E-01 ppm1      0.624 ppm2      0.887 CV     1
 ASSI { 2090}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 41   and name HG12))
      3.800     1.800     1.600 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.25304E-02 ppm1      0.615 ppm2      1.419 CV     1
 OR { 2090}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 41   and name HG11))
 ASSI { 2093}
   (  segid "    " and resid 43   and name HD2%)
   (  segid "    " and resid 31   and name HD% )
      3.800     1.800     1.400 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.20091E-02 ppm1      0.620 ppm2      7.272 CV     1
 ASSI { 2095}
   (  segid "    " and resid 43   and name HD2%)
   (  segid "    " and resid 106  and name HD% )
      3.700     1.700     1.700 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.23870E-02 ppm1      0.619 ppm2      6.736 CV     1
 OR { 2095}
   (  segid "    " and resid 43   and name HD2%)
   (  segid "    " and resid 88   and name HE% )
 ASSI { 2097}
   (  segid "    " and resid 43   and name HD2%)
   (  segid "    " and resid 106  and name HE% )
      3.800     1.800     1.200 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.28102E-02 ppm1      0.620 ppm2      6.297 CV     1
 ASSI { 2098}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HA  ))
      3.700     1.800     1.800 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.11854E-02 ppm1      0.617 ppm2      5.865 CV     1
 ASSI { 2099}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.300     1.300 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.17711E-02 ppm1      0.620 ppm2      9.364 CV     1
 ASSI { 2100}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 44   and name HN  ))
      4.900     3.000     1.100 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.67801E-03 ppm1      0.617 ppm2      8.117 CV     1
 ASSI { 2108}
   (( segid "    " and resid 98   and name HG  ))
   (( segid "    " and resid 98   and name HN  ))
      2.500     0.800     0.800 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.29217E-02 ppm1      1.775 ppm2      8.452 CV     1
 ASSI { 2118}
   (( segid "    " and resid 98   and name HG  ))
   (  segid "    " and resid 98   and name HD2%)
      2.700     0.900     0.900 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.24512E-02 ppm1      1.772 ppm2      0.964 CV     1
 ASSI { 2119}
   (( segid "    " and resid 98   and name HG  ))
   (  segid "    " and resid 98   and name HD1%)
      2.500     0.800     0.800 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.34307E-02 ppm1      1.774 ppm2      0.874 CV     1
 ASSI { 2125}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 128  and name HA  ))
      2.900     1.100     1.100 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.38143E-02 ppm1      2.255 ppm2      4.021 CV     1
 ASSI { 2131}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.400     1.500     1.500 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.15613E-02 ppm1      3.537 ppm2      4.793 CV     1
 ASSI { 2132}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      3.400     1.400     1.400 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.10116E-02 ppm1      2.886 ppm2      4.789 CV     1
 ASSI { 2133}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HB2 ))
      2.000     0.500     0.500 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.41570E-02 ppm1      3.536 ppm2      2.887 CV     1
 ASSI { 2141}
   (( segid "    " and resid 127  and name HB1 ))
   (  segid "    " and resid 125  and name HE% )
      3.400     1.400     1.400 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.98618E-03 ppm1      2.088 ppm2      7.281 CV     1
 OR { 2141}
   (( segid "    " and resid 127  and name HB2 ))
   (  segid "    " and resid 125  and name HE% )
 ASSI { 2157}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HB2 ))
      2.300     0.700     0.700 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.10566E-02 ppm1      2.956 ppm2      2.513 CV     1
 ASSI { 2158}
   (( segid "    " and resid 137  and name HB2 ))
   (( segid "    " and resid 137  and name HB1 ))
      2.200     2.200     3.800 peak  2158 spectrum    1 weight  0.11000E+01 volume  0.12371E-02 ppm1      2.954 ppm2      3.356 CV     1
 ASSI { 2161}
   (( segid "    " and resid 127  and name HB1 ))
   (( segid "    " and resid 127  and name HN  ))
      2.700     0.900     0.900 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.40220E-02 ppm1      2.093 ppm2      8.851 CV     1
 OR { 2161}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 127  and name HN  ))
 ASSI { 2162}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.200     0.600     0.600 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.35005E-02 ppm1      2.121 ppm2      8.480 CV     1
 ASSI { 2183}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 15   and name HN  ))
      4.300     2.300     1.700 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.99584E-03 ppm1      2.382 ppm2      7.760 CV     1
 ASSI { 2205}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HD2 ))
      3.600     1.600     1.600 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.11658E-02 ppm1      2.384 ppm2      3.949 CV     1
 OR { 2205}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HD1 ))
 ASSI { 2207}
   (( segid "    " and resid 100  and name HG1 ))
   (( segid "    " and resid 100  and name HA  ))
      4.000     2.000     2.000 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.12097E-02 ppm1      2.513 ppm2      4.680 CV     1
 ASSI { 2209}
   (( segid "    " and resid 95   and name HB1 ))
   (( segid "    " and resid 96   and name HN  ))
      3.500     1.500     2.000 peak  2209 spectrum    1 weight  0.11000E+01 volume  0.12059E-02 ppm1      2.392 ppm2      7.088 CV     1
 ASSI { 2214}
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 100  and name HN  ))
      3.100     1.200     1.200 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.17565E-02 ppm1      2.428 ppm2      8.565 CV     1
 ASSI { 2230}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HA  ))
      2.700     0.900     0.900 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.37407E-02 ppm1      1.822 ppm2      4.347 CV     1
 ASSI { 2247}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 90   and name HN  ))
      3.300     1.500     1.000 peak  2247 spectrum    1 weight  0.11000E+01 volume  0.12928E-02 ppm1      2.113 ppm2      9.235 CV     1
 OR { 2247}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 90   and name HN  ))
 ASSI { 2248}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HN  ))
      3.600     1.600     1.600 peak  2248 spectrum    1 weight  0.11000E+01 volume  0.88839E-03 ppm1      2.126 ppm2      9.123 CV     1
 OR { 2248}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
 ASSI { 2251}
   (( segid "    " and resid 128  and name HG2 ))
   (( segid "    " and resid 128  and name HN  ))
      3.700     1.700     1.700 peak  2251 spectrum    1 weight  0.11000E+01 volume  0.36594E-02 ppm1      2.368 ppm2      8.166 CV     1
 ASSI { 2256}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HN  ))
      2.200     0.600     0.600 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.55804E-02 ppm1      1.844 ppm2      7.584 CV     1
 OR { 2256}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI { 2258}
   (( segid "    " and resid 82   and name HG1 ))
   (( segid "    " and resid 82   and name HN  ))
      2.800     1.000     1.000 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.26048E-02 ppm1      2.375 ppm2      6.828 CV     1
 ASSI { 2259}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
      2.400     0.700     0.700 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.52464E-02 ppm1      1.846 ppm2      4.525 CV     1
 OR { 2259}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 2260}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.12518E-02 ppm1      1.886 ppm2      4.887 CV     1
 ASSI { 2261}
   (( segid "    " and resid 87   and name HB  ))
   (( segid "    " and resid 87   and name HA  ))
      2.800     1.000     1.000 peak  2261 spectrum    1 weight  0.11000E+01 volume  0.16322E-02 ppm1      1.838 ppm2      4.836 CV     1
 ASSI { 2263}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HA  ))
      3.200     1.300     1.300 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.13222E-02 ppm1      2.112 ppm2      5.151 CV     1
 ASSI { 2264}
   (( segid "    " and resid 128  and name HG1 ))
   (( segid "    " and resid 128  and name HA  ))
      2.500     0.800     0.800 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.38828E-02 ppm1      2.430 ppm2      4.015 CV     1
 ASSI { 2265}
   (( segid "    " and resid 128  and name HG2 ))
   (( segid "    " and resid 128  and name HA  ))
      3.200     1.300     1.300 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.31282E-02 ppm1      2.368 ppm2      4.015 CV     1
 ASSI { 2274}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HD1 ))
      3.600     1.600     1.600 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.77736E-03 ppm1      1.895 ppm2      2.892 CV     1
 ASSI { 2286}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      4.400     2.400     1.600 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.12261E-02 ppm1      1.894 ppm2      7.356 CV     1
 ASSI { 2302}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 11   and name HG2%)
      2.500     0.800     0.800 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.30217E-02 ppm1      2.245 ppm2      1.278 CV     1
 ASSI { 2304}
   (( segid "    " and resid 128  and name HG2 ))
   (  segid "    " and resid 96   and name HG2%)
      4.000     2.200     2.000 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.13802E-02 ppm1      2.367 ppm2      1.258 CV     1
 ASSI { 2305}
   (( segid "    " and resid 128  and name HG1 ))
   (  segid "    " and resid 129  and name HG2%)
      4.600     2.600     1.400 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.12717E-02 ppm1      2.430 ppm2      1.088 CV     1
 ASSI { 2306}
   (( segid "    " and resid 128  and name HG2 ))
   (  segid "    " and resid 129  and name HG2%)
      4.500     2.500     1.500 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.99147E-03 ppm1      2.363 ppm2      1.082 CV     1
 ASSI { 2317}
   (( segid "    " and resid 82   and name HG1 ))
   (( segid "    " and resid 82   and name HA  ))
      3.100     1.200     1.200 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.31936E-02 ppm1      2.385 ppm2      3.574 CV     1
 ASSI { 2328}
   (( segid "    " and resid 109  and name HB  ))
   (( segid "    " and resid 110  and name HN  ))
      3.600     1.600     1.600 peak  2328 spectrum    1 weight  0.11000E+01 volume  0.98147E-03 ppm1      1.194 ppm2      9.134 CV     1
 ASSI { 2329}
   (( segid "    " and resid 109  and name HB  ))
   (( segid "    " and resid 109  and name HN  ))
      3.100     1.200     1.200 peak  2329 spectrum    1 weight  0.11000E+01 volume  0.21281E-02 ppm1      1.195 ppm2      8.343 CV     1
 ASSI { 2332}
   (( segid "    " and resid 59   and name HB  ))
   (  segid "    " and resid 59   and name HG2%)
      2.600     0.800     0.800 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.17686E-02 ppm1      1.873 ppm2      1.159 CV     1
 ASSI { 2333}
   (( segid "    " and resid 109  and name HB  ))
   (  segid "    " and resid 109  and name HG2%)
      2.500     0.800     0.800 peak  2333 spectrum    1 weight  0.11000E+01 volume  0.49083E-02 ppm1      1.187 ppm2      0.871 CV     1
 ASSI { 2240}
   (( segid "    " and resid 128  and name HG1 ))
   (( segid "    " and resid 129  and name HB  ))
      3.000     1.200     1.000 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.54980E-02 ppm1      2.374 ppm2      4.339 CV     1
 OR { 2240}
   (( segid "    " and resid 128  and name HG2 ))
   (( segid "    " and resid 129  and name HB  ))
 ASSI { 2353}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
      2.500     0.800     0.800 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.66431E-02 ppm1      2.837 ppm2      4.352 CV     1
 OR { 2353}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 2356}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HB2 ))
      1.300     0.200     0.900 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.26414E-01 ppm1      3.137 ppm2      2.842 CV     1
 ASSI { 2360}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HA  ))
      3.300     1.300     1.300 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.22471E-02 ppm1      2.139 ppm2      3.788 CV     1
 OR { 2360}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 2363}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 89   and name HA  ))
      3.500     1.600     1.600 peak  2363 spectrum    1 weight  0.11000E+01 volume  0.10611E-02 ppm1      2.219 ppm2      5.147 CV     1
 ASSI { 2377}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HD22))
      3.700     1.700     1.700 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.27091E-02 ppm1      3.137 ppm2      7.587 CV     1
 ASSI { 2378}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      4.000     2.000     2.000 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.30100E-02 ppm1      2.840 ppm2      7.587 CV     1
 OR { 2378}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 2282}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 84   and name HN  ))
      4.000     2.200     1.000 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.11204E-02 ppm1      1.986 ppm2      8.303 CV     1
 ASSI { 2385}
   (( segid "    " and resid 48   and name HG1 ))
   (  segid "    " and resid 73   and name HD1%)
      3.700     1.700     1.700 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.14282E-02 ppm1      2.120 ppm2      0.639 CV     1
 OR { 2385}
   (( segid "    " and resid 48   and name HG2 ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI { 2386}
   (( segid "    " and resid 48   and name HG1 ))
   (  segid "    " and resid 73   and name HD2%)
      4.100     2.100     1.900 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.15761E-02 ppm1      2.135 ppm2      0.841 CV     1
 OR { 2386}
   (( segid "    " and resid 48   and name HG2 ))
   (  segid "    " and resid 73   and name HD2%)
 ASSI { 2288}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 12   and name HN  ))
      4.000     2.200     1.400 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.66602E-03 ppm1      2.238 ppm2      7.989 CV     1
 ASSI { 2389}
   (( segid "    " and resid 89   and name HG2 ))
   (  segid "    " and resid 87   and name HG2%)
      3.600     1.600     1.600 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.12783E-02 ppm1      2.221 ppm2      0.767 CV     1
 ASSI { 2391}
   (( segid "    " and resid 55   and name HB1 ))
   (  segid "    " and resid 54   and name HB% )
      5.600     3.900     0.400 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.99775E-03 ppm1      2.891 ppm2      1.426 CV     1
 ASSI { 2392}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 54   and name HB% )
      5.000     3.100     1.000 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.80421E-03 ppm1      2.800 ppm2      1.430 CV     1
 ASSI { 2398}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HN  ))
      3.200     1.300     1.300 peak  2398 spectrum    1 weight  0.11000E+01 volume  0.23352E-02 ppm1      2.481 ppm2      9.082 CV     1
 ASSI { 2400}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      3.000     1.200     1.000 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.11836E-02 ppm1      2.933 ppm2      8.179 CV     1
 ASSI { 2401}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
      3.500     1.600     1.600 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.11836E-02 ppm1      2.933 ppm2      8.179 CV     1
 ASSI { 2402}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.500     1.600     1.600 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.13858E-02 ppm1      2.744 ppm2      8.177 CV     1
 ASSI { 2404}
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 94   and name HN  ))
      3.600     1.700     1.700 peak  2404 spectrum    1 weight  0.11000E+01 volume  0.13859E-02 ppm1      3.263 ppm2      8.459 CV     1
 ASSI { 2407}
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 90   and name HN  ))
      3.900     1.900     1.900 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.10857E-02 ppm1      3.095 ppm2      9.234 CV     1
 ASSI { 2408}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HD21))
      2.900     1.000     1.000 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.26714E-02 ppm1      2.930 ppm2      7.631 CV     1
 ASSI { 2409}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HD21))
      2.600     0.800     0.800 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.27907E-02 ppm1      2.855 ppm2      7.611 CV     1
 ASSI { 2410}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HD21))
      2.800     1.000     1.000 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.30134E-02 ppm1      2.744 ppm2      7.631 CV     1
 OR { 2410}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HD21))
 ASSI { 2412}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HD22))
      4.100     2.100     1.900 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.16441E-02 ppm1      2.932 ppm2      6.948 CV     1
 ASSI { 2413}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HD22))
      4.200     2.200     1.800 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.10828E-02 ppm1      2.860 ppm2      6.926 CV     1
 ASSI { 2415}
   (( segid "    " and resid 88   and name HB1 ))
   (  segid "    " and resid 88   and name HD% )
      3.200     1.300     1.300 peak  2415 spectrum    1 weight  0.11000E+01 volume  0.85640E-03 ppm1      3.266 ppm2      7.105 CV     1
 ASSI { 2417}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      3.000     1.100     1.100 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.26144E-02 ppm1      2.857 ppm2      4.789 CV     1
 ASSI { 2419}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 81   and name HA  ))
      2.400     0.700     0.700 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.68645E-02 ppm1      2.830 ppm2      4.223 CV     1
 ASSI { 2420}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HA  ))
      2.700     0.900     0.900 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.57561E-02 ppm1      2.480 ppm2      4.223 CV     1
 ASSI { 2421}
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 90   and name HA  ))
      3.000     1.100     1.100 peak  2421 spectrum    1 weight  0.11000E+01 volume  0.26045E-02 ppm1      3.095 ppm2      4.227 CV     1
 ASSI { 2422}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HB1 ))
      1.700     0.300     0.500 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.10544E-01 ppm1      2.721 ppm2      3.095 CV     1
 ASSI { 2426}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 81   and name HB2 ))
      1.500     0.300     0.700 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.26138E-01 ppm1      2.830 ppm2      2.483 CV     1
 ASSI { 2429}
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 113  and name HA  ))
      3.000     1.100     1.100 peak  2429 spectrum    1 weight  0.11000E+01 volume  0.34102E-02 ppm1      2.615 ppm2      4.724 CV     1
 ASSI { 2430}
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 94   and name HB2 ))
      2.200     0.600     0.600 peak  2430 spectrum    1 weight  0.11000E+01 volume  0.16171E-02 ppm1      3.251 ppm2      2.290 CV     1
 ASSI { 2433}
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 72   and name HG2 ))
      3.000     1.100     1.100 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.10518E-02 ppm1      3.094 ppm2      1.682 CV     1
 ASSI { 2438}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 83   and name HG2%)
      3.900     1.900     1.900 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.10145E-02 ppm1      2.478 ppm2      0.851 CV     1
 OR { 2438}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 2452}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HG  ))
      2.900     2.900     3.100 peak  2452 spectrum    1 weight  0.11000E+01 volume  0.11110E-02 ppm1      1.259 ppm2      0.929 CV     1
 OR { 2452}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HG  ))
 ASSI { 2460}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 22   and name HD2%)
      2.800     1.000     1.000 peak  2460 spectrum    1 weight  0.11000E+01 volume  0.17786E-02 ppm1      1.237 ppm2     -0.447 CV     1
 OR { 2460}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI { 2462}
   (( segid "    " and resid 113  and name HB1 ))
   (( segid "    " and resid 113  and name HA  ))
      2.700     0.900     0.900 peak  2462 spectrum    1 weight  0.11000E+01 volume  0.33242E-02 ppm1      2.922 ppm2      4.723 CV     1
 ASSI { 2463}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 79   and name HD% )
      2.900     1.100     1.100 peak  2463 spectrum    1 weight  0.11000E+01 volume  0.17352E-02 ppm1      3.046 ppm2      6.809 CV     1
 ASSI { 2464}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 79   and name HD% )
      2.800     1.000     1.000 peak  2464 spectrum    1 weight  0.11000E+01 volume  0.18435E-02 ppm1      2.571 ppm2      6.807 CV     1
 ASSI { 2465}
   (( segid "    " and resid 20   and name HB1 ))
   (  segid "    " and resid 20   and name HD% )
      2.900     1.100     1.100 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.82753E-03 ppm1      3.002 ppm2      7.441 CV     1
 ASSI { 2466}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 20   and name HD% )
      3.100     1.200     1.200 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.12069E-02 ppm1      2.644 ppm2      7.439 CV     1
 ASSI { 2468}
   (( segid "    " and resid 113  and name HB1 ))
   (( segid "    " and resid 113  and name HN  ))
      3.700     1.700     1.700 peak  2468 spectrum    1 weight  0.11000E+01 volume  0.14338E-02 ppm1      2.927 ppm2      8.294 CV     1
 ASSI { 2472}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
      2.600     2.600     3.400 peak  2472 spectrum    1 weight  0.11000E+01 volume  0.19654E-02 ppm1      1.269 ppm2      4.357 CV     1
 OR { 2472}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 2474}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      3.000     3.000     3.000 peak  2474 spectrum    1 weight  0.11000E+01 volume  0.75081E-03 ppm1      1.272 ppm2      8.191 CV     1
 OR { 2474}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 2477}
   (( segid "    " and resid 105  and name HB1 ))
   (  segid "    " and resid 105  and name HD% )
      2.800     2.800     3.200 peak  2477 spectrum    1 weight  0.11000E+01 volume  0.19438E-02 ppm1      3.054 ppm2      6.953 CV     1
 ASSI { 2480}
   (( segid "    " and resid 105  and name HB1 ))
   (( segid "    " and resid 105  and name HA  ))
      2.700     2.700     3.300 peak  2480 spectrum    1 weight  0.11000E+01 volume  0.16884E-02 ppm1      3.050 ppm2      5.064 CV     1
 ASSI { 2481}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 105  and name HA  ))
      2.900     2.900     3.100 peak  2481 spectrum    1 weight  0.11000E+01 volume  0.13878E-02 ppm1      2.641 ppm2      5.048 CV     1
 ASSI { 2482}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 116  and name HA  ))
      2.900     1.000     1.000 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.37757E-02 ppm1      2.723 ppm2      4.690 CV     1
 ASSI { 2490}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 31   and name HD% )
      2.900     1.100     1.100 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.11465E-02 ppm1      2.764 ppm2      7.292 CV     1
 ASSI { 2493}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 31   and name HD% )
      3.300     1.400     1.400 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.95115E-03 ppm1      2.706 ppm2      7.296 CV     1
 ASSI { 2514}
   (( segid "    " and resid 75   and name HE1 ))
   (( segid "    " and resid 75   and name HG2 ))
      2.400     0.700     0.700 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.84643E-02 ppm1      2.905 ppm2      1.216 CV     1
 OR { 2514}
   (( segid "    " and resid 75   and name HE1 ))
   (( segid "    " and resid 75   and name HG1 ))
 OR { 2514}
   (( segid "    " and resid 75   and name HE2 ))
   (( segid "    " and resid 75   and name HG2 ))
 OR { 2514}
   (( segid "    " and resid 75   and name HE2 ))
   (( segid "    " and resid 75   and name HG1 ))
 ASSI { 2515}
   (( segid "    " and resid 75   and name HE1 ))
   (  segid "    " and resid 73   and name HD2%)
      2.800     1.000     1.000 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.49581E-02 ppm1      2.906 ppm2      0.840 CV     1
 OR { 2515}
   (( segid "    " and resid 75   and name HE2 ))
   (  segid "    " and resid 73   and name HD2%)
 ASSI { 2516}
   (( segid "    " and resid 75   and name HE1 ))
   (  segid "    " and resid 73   and name HD1%)
      2.200     0.600     0.600 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.56431E-02 ppm1      2.906 ppm2      0.640 CV     1
 OR { 2516}
   (( segid "    " and resid 75   and name HE2 ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI { 2520}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HA  ))
      2.600     0.800     0.800 peak  2520 spectrum    1 weight  0.11000E+01 volume  0.25196E-02 ppm1      2.202 ppm2      4.898 CV     1
 ASSI { 2522}
   (( segid "    " and resid 106  and name HB2 ))
   (  segid "    " and resid 106  and name HD% )
      2.900     1.000     1.000 peak  2522 spectrum    1 weight  0.11000E+01 volume  0.12083E-02 ppm1      2.145 ppm2      6.744 CV     1
 ASSI { 2523}
   (( segid "    " and resid 106  and name HB2 ))
   (  segid "    " and resid 108  and name HE% )
      3.500     1.500     1.500 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.75659E-03 ppm1      2.130 ppm2      6.456 CV     1
 ASSI { 2524}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      3.700     1.700     1.400 peak  2524 spectrum    1 weight  0.11000E+01 volume  0.28776E-02 ppm1      2.207 ppm2      8.324 CV     1
 ASSI { 2525}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HN  ))
      3.000     1.100     1.100 peak  2525 spectrum    1 weight  0.10000E+01 volume  0.87740E-03 ppm1      2.140 ppm2      9.424 CV     1
 ASSI { 2528}
   (( segid "    " and resid 125  and name HB1 ))
   (  segid "    " and resid 134  and name HE% )
      4.200     2.200     1.800 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.88713E-03 ppm1      3.377 ppm2      7.113 CV     1
 ASSI { 2530}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 142  and name HN  ))
      3.200     1.300     1.300 peak  2530 spectrum    1 weight  0.11000E+01 volume  0.17961E-02 ppm1      3.115 ppm2      7.529 CV     1
 ASSI { 2533}
   (( segid "    " and resid 142  and name HB1 ))
   (( segid "    " and resid 142  and name HA  ))
      3.100     1.200     1.200 peak  2533 spectrum    1 weight  0.11000E+01 volume  0.12841E-02 ppm1      3.348 ppm2      4.863 CV     1
 ASSI { 2538}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      3.000     1.200     1.200 peak  2538 spectrum    1 weight  0.11000E+01 volume  0.88185E-03 ppm1      2.609 ppm2      9.762 CV     1
 ASSI { 2546}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
      2.800     1.000     1.000 peak  2546 spectrum    1 weight  0.11000E+01 volume  0.11523E-02 ppm1      1.291 ppm2      5.246 CV     1
 ASSI { 2551}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 30   and name HN  ))
      4.300     2.300     1.700 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.98261E-03 ppm1      2.496 ppm2      7.334 CV     1
 ASSI { 2552}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HE  ))
      2.800     1.000     1.000 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.18901E-02 ppm1      2.504 ppm2      6.838 CV     1
 ASSI { 2554}
   (( segid "    " and resid 125  and name HB1 ))
   (  segid "    " and resid 125  and name HD% )
      3.100     1.200     1.200 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.10593E-02 ppm1      3.381 ppm2      7.413 CV     1
 ASSI { 2555}
   (( segid "    " and resid 125  and name HB2 ))
   (  segid "    " and resid 125  and name HD% )
      3.300     1.400     1.400 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.86290E-03 ppm1      3.026 ppm2      7.409 CV     1
 ASSI { 2557}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 142  and name HB1 ))
      2.100     0.500     0.500 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.33628E-02 ppm1      3.115 ppm2      3.362 CV     1
 ASSI { 2560}
   (( segid "    " and resid 148  and name HD1 ))
   (( segid "    " and resid 148  and name HB1 ))
      2.800     1.000     1.000 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.52206E-02 ppm1      3.181 ppm2      1.673 CV     1
 OR { 2560}
   (( segid "    " and resid 148  and name HD1 ))
   (( segid "    " and resid 148  and name HB2 ))
 OR { 2560}
   (( segid "    " and resid 148  and name HD2 ))
   (( segid "    " and resid 148  and name HB2 ))
 OR { 2560}
   (( segid "    " and resid 148  and name HD2 ))
   (( segid "    " and resid 148  and name HB1 ))
 ASSI { 2561}
   (( segid "    " and resid 85   and name HE2 ))
   (( segid "    " and resid 85   and name HD1 ))
      2.800     1.000     1.000 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.18469E-02 ppm1      2.781 ppm2      1.464 CV     1
 OR { 2561}
   (( segid "    " and resid 85   and name HE2 ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI { 2564}
   (( segid "    " and resid 148  and name HD1 ))
   (( segid "    " and resid 148  and name HA  ))
      4.100     2.100     1.900 peak  2564 spectrum    1 weight  0.10000E+01 volume  0.16192E-02 ppm1      3.158 ppm2      4.221 CV     1
 OR { 2564}
   (( segid "    " and resid 148  and name HD2 ))
   (( segid "    " and resid 148  and name HA  ))
 ASSI { 2566}
   (( segid "    " and resid 91   and name HA2 ))
   (( segid "    " and resid 91   and name HN  ))
      3.400     1.400     1.400 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.10966E-02 ppm1      3.475 ppm2      8.524 CV     1
 ASSI { 2572}
   (( segid "    " and resid 134  and name HB1 ))
   (( segid "    " and resid 135  and name HN  ))
      2.900     1.100     1.100 peak  2572 spectrum    1 weight  0.11000E+01 volume  0.92734E-03 ppm1      2.287 ppm2      9.083 CV     1
 ASSI { 2573}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 135  and name HN  ))
      4.200     2.200     1.800 peak  2573 spectrum    1 weight  0.11000E+01 volume  0.84457E-03 ppm1      1.856 ppm2      9.088 CV     1
 ASSI { 2575}
   (( segid "    " and resid 134  and name HB2 ))
   (  segid "    " and resid 134  and name HD% )
      2.900     1.000     1.000 peak  2575 spectrum    1 weight  0.11000E+01 volume  0.90132E-03 ppm1      1.852 ppm2      6.617 CV     1
 ASSI { 2576}
   (( segid "    " and resid 134  and name HB1 ))
   (  segid "    " and resid 134  and name HD% )
      3.000     1.100     1.100 peak  2576 spectrum    1 weight  0.11000E+01 volume  0.11357E-02 ppm1      2.290 ppm2      6.618 CV     1
 ASSI { 2577}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 10   and name HE  ))
      2.700     0.900     0.900 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.21266E-02 ppm1      3.069 ppm2      6.909 CV     1
 ASSI { 2578}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HE  ))
      2.800     1.000     1.000 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.22579E-02 ppm1      2.957 ppm2      6.906 CV     1
 ASSI { 2583}
   (( segid "    " and resid 17   and name HA2 ))
   (( segid "    " and resid 17   and name HA1 ))
      2.000     0.500     0.500 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.44115E-02 ppm1      3.502 ppm2      4.178 CV     1
 ASSI { 2584}
   (( segid "    " and resid 64   and name HA1 ))
   (( segid "    " and resid 64   and name HA2 ))
      1.800     0.400     0.400 peak  2584 spectrum    1 weight  0.10000E+01 volume  0.51319E-02 ppm1      4.258 ppm2      3.567 CV     1
 ASSI { 2586}
   (( segid "    " and resid 64   and name HA1 ))
   (( segid "    " and resid 65   and name HD2 ))
      2.800     1.000     0.900 peak  2586 spectrum    1 weight  0.10000E+01 volume  0.26659E-02 ppm1      4.255 ppm2      3.721 CV     1
 ASSI { 4551}
   (( segid "    " and resid 64   and name HA1 ))
   (( segid "    " and resid 63   and name HA  ))
      4.500     2.500     1.500 peak  4551 spectrum    1 weight  0.10000E+01 volume  0.26659E-02 ppm1      4.262 ppm2      4.824 CV     1
 ASSI { 4550}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 63   and name HA  ))
      4.000     2.200     2.000 peak  4550 spectrum    1 weight  0.10000E+01 volume  0.26659E-02 ppm1      3.573 ppm2      4.824 CV     1
 ASSI { 2587}
   (( segid "    " and resid 91   and name HA1 ))
   (( segid "    " and resid 91   and name HA2 ))
      2.000     0.500     0.500 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.19902E-02 ppm1      4.055 ppm2      3.465 CV     1
 ASSI { 2588}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 30   and name HA2 ))
      1.900     0.500     0.500 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.21600E-02 ppm1      4.574 ppm2      3.582 CV     1
 ASSI { 2602}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.800     0.800 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.11757E-02 ppm1      4.567 ppm2      9.205 CV     1
 ASSI { 2603}
   (( segid "    " and resid 64   and name HA1 ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.900     0.900 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.31362E-02 ppm1      4.259 ppm2      8.986 CV     1
 ASSI { 2605}
   (( segid "    " and resid 115  and name HA1 ))
   (( segid "    " and resid 117  and name HN  ))
      4.100     2.100     1.900 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.11060E-02 ppm1      4.209 ppm2      8.688 CV     1
 ASSI { 4625}
   (( segid "    " and resid 115  and name HA2 ))
   (( segid "    " and resid 117  and name HN  ))
      4.500     2.500     1.500 peak  4625 spectrum    1 weight  0.10000E+01 volume  0.11060E-02 ppm1      4.028 ppm2      8.688 CV     1
 ASSI { 2607}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      2.500     0.800     0.800 peak  2607 spectrum    1 weight  0.11000E+01 volume  0.12213E-02 ppm1      1.186 ppm2      8.895 CV     1
 ASSI { 2608}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      3.300     1.100     1.100 peak  2608 spectrum    1 weight  0.11000E+01 volume  0.12169E-02 ppm1      1.334 ppm2      8.706 CV     1
 ASSI { 2609}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      4.000     2.200     1.500 peak  2609 spectrum    1 weight  0.11000E+01 volume  0.70676E-03 ppm1      1.193 ppm2      8.711 CV     1
 ASSI { 2618}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
      2.600     0.900     0.900 peak  2618 spectrum    1 weight  0.11000E+01 volume  0.16341E-02 ppm1      1.329 ppm2      5.032 CV     1
 ASSI { 2619}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      3.200     1.300     1.300 peak  2619 spectrum    1 weight  0.11000E+01 volume  0.10317E-02 ppm1      1.193 ppm2      5.034 CV     1
 ASSI { 2622}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
      2.500     0.800     0.800 peak  2622 spectrum    1 weight  0.10000E+01 volume  0.41593E-02 ppm1      1.332 ppm2      0.514 CV     1
 OR { 2622}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 2623}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 65   and name HB1 ))
      4.000     2.200     2.000 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.76519E-03 ppm1      3.563 ppm2      2.074 CV     1
 OR { 2623}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 65   and name HB2 ))
 OR { 2623}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 65   and name HG2 ))
 ASSI { 2631}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 10   and name HG1 ))
      2.600     0.800     0.800 peak  2631 spectrum    1 weight  0.10000E+01 volume  0.20000E-02 ppm1      3.062 ppm2      1.623 CV     1
 ASSI { 2635}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HB2 ))
      3.700     1.700     1.700 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.13737E-02 ppm1      2.964 ppm2      1.525 CV     1
 ASSI { 2636}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 10   and name HG2 ))
      3.200     1.300     1.300 peak  2636 spectrum    1 weight  0.10000E+01 volume  0.13761E-02 ppm1      3.061 ppm2      1.433 CV     1
 ASSI { 2637}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HB2 ))
      1.800     0.100     0.600 peak  2637 spectrum    1 weight  0.11000E+01 volume  0.44393E-02 ppm1      1.331 ppm2      1.203 CV     1
 ASSI { 2638}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 11   and name HB  ))
      3.800     1.800     1.300 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.12925E-02 ppm1      1.333 ppm2      2.241 CV     1
 ASSI { 2640}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 11   and name HB  ))
      3.300     1.500     0.900 peak  2640 spectrum    1 weight  0.10000E+01 volume  0.10086E-02 ppm1      1.194 ppm2      2.246 CV     1
 ASSI { 2642}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 11   and name HG1%)
      3.500     1.500     1.300 peak  2642 spectrum    1 weight  0.10000E+01 volume  0.11456E-02 ppm1      1.206 ppm2      0.702 CV     1
 ASSI { 2645}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD2%)
      2.700     0.900     0.900 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.28541E-02 ppm1      1.195 ppm2      0.513 CV     1
 OR { 2645}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 2647}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HG  ))
      2.900     1.000     1.000 peak  2647 spectrum    1 weight  0.10000E+01 volume  0.16036E-02 ppm1      1.557 ppm2      1.061 CV     1
 ASSI { 2648}
   (( segid "    " and resid 68   and name HB1 ))
   (  segid "    " and resid 68   and name HD2%)
      3.100     1.200     1.200 peak  2648 spectrum    1 weight  0.10000E+01 volume  0.10918E-02 ppm1      1.552 ppm2      0.480 CV     1
 ASSI { 2650}
   (( segid "    " and resid 17   and name HA1 ))
   (  segid "    " and resid 12   and name HG2%)
      4.200     2.200     1.800 peak  2650 spectrum    1 weight  0.10000E+01 volume  0.16081E-02 ppm1      4.177 ppm2      0.864 CV     1
 ASSI { 2651}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 65   and name HD1 ))
      4.000     2.200     1.800 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.30383E-02 ppm1      3.569 ppm2      4.022 CV     1
 ASSI { 2652}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 65   and name HD2 ))
      4.000     2.200     2.000 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.30943E-02 ppm1      3.567 ppm2      3.721 CV     1
 ASSI { 2655}
   (( segid "    " and resid 115  and name HA2 ))
   (( segid "    " and resid 115  and name HA1 ))
      1.600     0.300     0.600 peak  2655 spectrum    1 weight  0.10000E+01 volume  0.16847E-01 ppm1      4.023 ppm2      4.189 CV     1
 ASSI { 2657}
   (( segid "    " and resid 56   and name HA1 ))
   (( segid "    " and resid 56   and name HN  ))
      2.300     0.700     0.700 peak  2657 spectrum    1 weight  0.11000E+01 volume  0.49543E-02 ppm1      3.993 ppm2      8.438 CV     1
 ASSI { 2662}
   (( segid "    " and resid 56   and name HA1 ))
   (( segid "    " and resid 57   and name HN  ))
      3.300     1.500     1.500 peak  2662 spectrum    1 weight  0.11000E+01 volume  0.12166E-02 ppm1      3.987 ppm2      7.566 CV     1
 ASSI { 2667}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
      3.300     1.400     1.400 peak  2667 spectrum    1 weight  0.11000E+01 volume  0.10552E-02 ppm1      1.560 ppm2      4.498 CV     1
 ASSI { 2668}
   (( segid "    " and resid 56   and name HA1 ))
   (( segid "    " and resid 56   and name HA2 ))
      1.900     0.400     0.400 peak  2668 spectrum    1 weight  0.11000E+01 volume  0.58744E-02 ppm1      3.992 ppm2      3.625 CV     1
 ASSI { 2671}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HN  ))
      3.500     1.500     1.500 peak  2671 spectrum    1 weight  0.11000E+01 volume  0.62673E-03 ppm1      1.613 ppm2      8.500 CV     1
 ASSI { 2672}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HN  ))
      3.200     1.300     1.300 peak  2672 spectrum    1 weight  0.11000E+01 volume  0.65998E-03 ppm1      1.295 ppm2      8.497 CV     1
 ASSI { 2673}
   (( segid "    " and resid 86   and name HB1 ))
   (  segid "    " and resid 108  and name HE% )
      3.000     1.100     1.100 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.10834E-02 ppm1      1.619 ppm2      6.454 CV     1
 ASSI { 2674}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 108  and name HE% )
      2.800     1.000     1.000 peak  2674 spectrum    1 weight  0.10000E+01 volume  0.11753E-02 ppm1      1.293 ppm2      6.456 CV     1
 ASSI { 2685}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HB2 ))
      2.000     0.500     0.500 peak  2685 spectrum    1 weight  0.11000E+01 volume  0.16260E-02 ppm1      1.622 ppm2      1.294 CV     1
 ASSI { 2701}
   (( segid "    " and resid 93   and name HD1 ))
   (( segid "    " and resid 93   and name HD2 ))
      2.100     0.500     0.500 peak  2701 spectrum    1 weight  0.10000E+01 volume  0.22070E-02 ppm1      3.672 ppm2      4.088 CV     1
 ASSI { 2702}
   (( segid "    " and resid 65   and name HD2 ))
   (( segid "    " and resid 65   and name HD1 ))
      1.800     0.400     0.400 peak  2702 spectrum    1 weight  0.11000E+01 volume  0.42358E-02 ppm1      3.725 ppm2      4.018 CV     1
 ASSI { 2704}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HD1 ))
      2.400     0.700     0.700 peak  2704 spectrum    1 weight  0.10000E+01 volume  0.24563E-02 ppm1      4.395 ppm2      3.950 CV     1
 OR { 2704}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HD2 ))
 ASSI { 2705}
   (( segid "    " and resid 95   and name HD2 ))
   (( segid "    " and resid 95   and name HB1 ))
      4.600     2.600     1.400 peak  2705 spectrum    1 weight  0.10000E+01 volume  0.80863E-03 ppm1      4.081 ppm2      2.372 CV     1
 ASSI { 2706}
   (( segid "    " and resid 147  and name HD1 ))
   (( segid "    " and resid 147  and name HB1 ))
      3.600     1.600     1.600 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.14176E-02 ppm1      3.869 ppm2      2.255 CV     1
 ASSI { 2707}
   (( segid "    " and resid 65   and name HD1 ))
   (( segid "    " and resid 65   and name HG1 ))
      2.600     0.800     0.800 peak  2707 spectrum    1 weight  0.10000E+01 volume  0.25700E-02 ppm1      4.024 ppm2      2.083 CV     1
 ASSI { 2708}
   (( segid "    " and resid 65   and name HD1 ))
   (( segid "    " and resid 65   and name HG2 ))
      3.000     1.100     1.100 peak  2708 spectrum    1 weight  0.11000E+01 volume  0.20773E-02 ppm1      4.020 ppm2      1.878 CV     1
 ASSI { 2709}
   (( segid "    " and resid 147  and name HD2 ))
   (( segid "    " and resid 147  and name HB1 ))
      3.900     1.900     1.900 peak  2709 spectrum    1 weight  0.10000E+01 volume  0.19512E-02 ppm1      3.654 ppm2      2.250 CV     1
 ASSI { 2710}
   (( segid "    " and resid 65   and name HD2 ))
   (( segid "    " and resid 65   and name HB1 ))
      4.400     2.400     1.600 peak  2710 spectrum    1 weight  0.10000E+01 volume  0.10469E-02 ppm1      3.720 ppm2      2.236 CV     1
 ASSI { 2712}
   (( segid "    " and resid 65   and name HD2 ))
   (( segid "    " and resid 65   and name HG1 ))
      3.100     1.200     1.200 peak  2712 spectrum    1 weight  0.10000E+01 volume  0.28604E-02 ppm1      3.714 ppm2      2.069 CV     1
 ASSI { 2713}
   (( segid "    " and resid 65   and name HD2 ))
   (( segid "    " and resid 65   and name HG2 ))
      2.500     0.800     0.800 peak  2713 spectrum    1 weight  0.11000E+01 volume  0.19180E-02 ppm1      3.721 ppm2      1.883 CV     1
 ASSI { 2718}
   (( segid "    " and resid 93   and name HD2 ))
   (( segid "    " and resid 92   and name HA  ))
      2.900     1.100     1.100 peak  2718 spectrum    1 weight  0.10000E+01 volume  0.92251E-03 ppm1      4.110 ppm2      4.922 CV     1
 ASSI { 2721}
   (( segid "    " and resid 93   and name HD1 ))
   (( segid "    " and resid 92   and name HA  ))
      2.900     1.100     1.100 peak  2721 spectrum    1 weight  0.10000E+01 volume  0.14516E-02 ppm1      3.672 ppm2      4.916 CV     1
 ASSI { 2722}
   (( segid "    " and resid 65   and name HD2 ))
   (( segid "    " and resid 64   and name HN  ))
      4.600     2.600     1.400 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.86573E-03 ppm1      3.725 ppm2      8.981 CV     1
 ASSI { 2723}
   (( segid "    " and resid 147  and name HD1 ))
   (( segid "    " and resid 146  and name HN  ))
      4.200     2.200     1.800 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.83499E-03 ppm1      3.872 ppm2      8.189 CV     1
 ASSI { 2724}
   (( segid "    " and resid 65   and name HD2 ))
   (( segid "    " and resid 66   and name HN  ))
      4.300     2.300     1.700 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.91159E-03 ppm1      3.642 ppm2      8.191 CV     1
 ASSI { 2725}
   (( segid "    " and resid 147  and name HD2 ))
   (( segid "    " and resid 146  and name HN  ))
      4.700     2.700     1.300 peak  2725 spectrum    1 weight  0.10000E+01 volume  0.91159E-03 ppm1      3.642 ppm2      8.191 CV     1
 ASSI { 2729}
   (( segid "    " and resid 65   and name HD1 ))
   (( segid "    " and resid 66   and name HN  ))
      4.300     2.300     1.700 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.92433E-03 ppm1      4.024 ppm2      7.594 CV     1
 ASSI { 2737}
   (( segid "    " and resid 147  and name HD2 ))
   (  segid "    " and resid 146  and name HG1%)
      3.400     1.500     1.500 peak  2737 spectrum    1 weight  0.10000E+01 volume  0.27568E-02 ppm1      3.646 ppm2      0.939 CV     1
 OR { 2737}
   (( segid "    " and resid 147  and name HD2 ))
   (  segid "    " and resid 146  and name HG2%)
 ASSI { 2739}
   (( segid "    " and resid 141  and name HA  ))
   (  segid "    " and resid 84   and name HD2%)
      2.800     1.000     1.000 peak  2739 spectrum    1 weight  0.10000E+01 volume  0.21742E-02 ppm1      4.555 ppm2      0.436 CV     1
 ASSI { 2744}
   (( segid "    " and resid 95   and name HD2 ))
   (( segid "    " and resid 94   and name HA  ))
      3.000     1.200     1.200 peak  2744 spectrum    1 weight  0.10000E+01 volume  0.11970E-02 ppm1      4.077 ppm2      5.156 CV     1
 ASSI { 2745}
   (( segid "    " and resid 95   and name HD1 ))
   (( segid "    " and resid 94   and name HA  ))
      3.300     1.500     1.200 peak  2744 spectrum    1 weight  0.10000E+01 volume  0.11970E-02 ppm1      4.077 ppm2      5.156 CV     1
 ASSI { 2746}
   (( segid "    " and resid 95   and name HD1 ))
   (( segid "    " and resid 95   and name HD2 ))
      2.100     0.600     0.600 peak  2746 spectrum    1 weight  0.10000E+01 volume  0.19036E-02 ppm1      4.396 ppm2      4.075 CV     1
 ASSI { 2747}
   (( segid "    " and resid 141  and name HA  ))
   (  segid "    " and resid 20   and name HE% )
      3.600     3.600     2.400 peak  2747 spectrum    1 weight  0.10000E+01 volume  0.15964E-02 ppm1      4.557 ppm2      6.811 CV     1
 ASSI { 2751}
   (( segid "    " and resid 65   and name HD1 ))
   (( segid "    " and resid 64   and name HN  ))
      4.900     2.900     1.100 peak  2751 spectrum    1 weight  0.10000E+01 volume  0.95427E-03 ppm1      4.018 ppm2      8.994 CV     1
 OR { 2751}
   (( segid "    " and resid 65   and name HD1 ))
   (( segid "    " and resid 39   and name HE  ))
 ASSI { 2722}
   (( segid "    " and resid 65   and name HD2 ))
   (( segid "    " and resid 64   and name HN  ))
      4.900     2.900     1.100 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.95427E-03 ppm1      4.018 ppm2      8.994 CV     1
 OR { 2722}
   (( segid "    " and resid 65   and name HD2 ))
   (( segid "    " and resid 39   and name HE  ))
 ASSI { 2760}
   (( segid "    " and resid 95   and name HD1 ))
   (( segid "    " and resid 95   and name HG1 ))
      2.700     0.900     0.900 peak  2760 spectrum    1 weight  0.10000E+01 volume  0.14607E-02 ppm1      4.387 ppm2      2.144 CV     1
 ASSI { 2761}
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
      4.200     2.200     1.800 peak  2761 spectrum    1 weight  0.10000E+01 volume  0.11432E-02 ppm1      4.380 ppm2      0.951 CV     1
 ASSI { 2762}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.300     0.700     0.700 peak  2762 spectrum    1 weight  0.11000E+01 volume  0.16739E-02 ppm1      4.035 ppm2      9.647 CV     1
 ASSI { 2763}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     0.800     0.800 peak  2763 spectrum    1 weight  0.11000E+01 volume  0.24110E-02 ppm1      4.269 ppm2      8.688 CV     1
 ASSI { 2767}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HN  ))
      2.500     0.800     0.800 peak  2767 spectrum    1 weight  0.10000E+01 volume  0.36968E-02 ppm1      4.394 ppm2      7.722 CV     1
 ASSI { 2769}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      4.000     2.000     2.000 peak  2769 spectrum    1 weight  0.11000E+01 volume  0.98778E-03 ppm1      4.038 ppm2      6.897 CV     1
 ASSI { 2777}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 58   and name HB% )
      4.200     2.200     1.800 peak  2777 spectrum    1 weight  0.11000E+01 volume  0.11953E-02 ppm1      4.036 ppm2      0.269 CV     1
 ASSI { 2779}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HD1%)
      4.000     2.000     2.000 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.10267E-02 ppm1      5.864 ppm2      0.638 CV     1
 OR { 2779}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 2780}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.400     1.400     1.400 peak  2780 spectrum    1 weight  0.11000E+01 volume  0.12456E-02 ppm1      5.642 ppm2      2.597 CV     1
 ASSI { 2781}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.200     0.600     0.600 peak  2781 spectrum    1 weight  0.11000E+01 volume  0.36139E-02 ppm1      5.250 ppm2      9.066 CV     1
 ASSI { 2782}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.100     0.600     0.600 peak  2782 spectrum    1 weight  0.11000E+01 volume  0.33355E-02 ppm1      5.643 ppm2      9.766 CV     1
 ASSI { 2785}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.400     0.700     0.700 peak  2785 spectrum    1 weight  0.11000E+01 volume  0.21850E-02 ppm1      5.446 ppm2      9.370 CV     1
 ASSI { 2786}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 88   and name HD% )
      2.300     0.700     0.700 peak  2786 spectrum    1 weight  0.11000E+01 volume  0.21935E-02 ppm1      5.380 ppm2      7.121 CV     1
 ASSI { 2788}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      2.400     0.700     0.700 peak  2788 spectrum    1 weight  0.10000E+01 volume  0.27642E-02 ppm1      4.663 ppm2      8.759 CV     1
 ASSI { 2792}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD2%)
      3.100     1.200     1.200 peak  2792 spectrum    1 weight  0.11000E+01 volume  0.94586E-03 ppm1      4.360 ppm2     -0.452 CV     1
 ASSI { 2793}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 107  and name HA  ))
      2.500     0.800     0.800 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.20325E-02 ppm1      5.593 ppm2      5.156 CV     1
 ASSI { 2800}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      2.800     1.000     1.000 peak  2800 spectrum    1 weight  0.11000E+01 volume  0.25099E-02 ppm1      4.487 ppm2      7.070 CV     1
 ASSI { 2801}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.300     1.500     1.200 peak  2801 spectrum    1 weight  0.10000E+01 volume  0.29262E-02 ppm1      4.563 ppm2      9.624 CV     1
 ASSI { 2802}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.000     0.500     0.500 peak  2802 spectrum    1 weight  0.11000E+01 volume  0.95088E-02 ppm1      4.489 ppm2      8.454 CV     1
 ASSI { 2804}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak  2804 spectrum    1 weight  0.10000E+01 volume  0.30099E-02 ppm1      4.560 ppm2      8.168 CV     1
 ASSI { 2805}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB1 ))
      2.700     0.900     0.900 peak  2805 spectrum    1 weight  0.11000E+01 volume  0.37040E-02 ppm1      4.488 ppm2      2.701 CV     1
 ASSI { 2806}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB1 ))
      2.500     0.800     0.800 peak  2806 spectrum    1 weight  0.10000E+01 volume  0.68185E-02 ppm1      4.563 ppm2      2.633 CV     1
 OR { 2806}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI { 2807}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB2 ))
      2.800     1.000     1.000 peak  2807 spectrum    1 weight  0.11000E+01 volume  0.26146E-02 ppm1      4.490 ppm2      2.573 CV     1
 ASSI { 2808}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 12   and name HG2%)
      3.800     1.800     1.300 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.10131E-02 ppm1      4.252 ppm2      0.861 CV     1
 ASSI { 2813}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      3.400     3.400     2.600 peak  2813 spectrum    1 weight  0.11000E+01 volume  0.36923E-02 ppm1      4.361 ppm2     -0.010 CV     1
 ASSI { 2817}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
      3.500     1.500     1.400 peak  2817 spectrum    1 weight  0.10000E+01 volume  0.13158E-02 ppm1      5.365 ppm2      0.520 CV     1
 OR { 2817}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 2819}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.200     1.300     1.300 peak  2819 spectrum    1 weight  0.10000E+01 volume  0.12118E-02 ppm1      5.358 ppm2      1.792 CV     1
 ASSI { 2820}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HD1 ))
      4.800     2.900     1.200 peak  2820 spectrum    1 weight  0.10000E+01 volume  0.90254E-03 ppm1      5.365 ppm2      3.076 CV     1
 ASSI { 2827}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.300     0.600     0.600 peak  2827 spectrum    1 weight  0.11000E+01 volume  0.32407E-02 ppm1      5.362 ppm2      8.842 CV     1
 ASSI { 2828}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.200     0.600     0.600 peak  2828 spectrum    1 weight  0.11000E+01 volume  0.45492E-02 ppm1      5.629 ppm2      8.504 CV     1
 ASSI { 2829}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 125  and name HD% )
      3.100     1.200     1.200 peak  2829 spectrum    1 weight  0.11000E+01 volume  0.15209E-02 ppm1      5.652 ppm2      7.412 CV     1
 ASSI { 2830}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      2.800     1.000     0.900 peak  2830 spectrum    1 weight  0.10000E+01 volume  0.16116E-02 ppm1      5.352 ppm2      5.043 CV     1
 ASSI { 2835}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB1 ))
      2.600     0.900     0.900 peak  2835 spectrum    1 weight  0.10000E+01 volume  0.25353E-02 ppm1      5.623 ppm2      1.628 CV     1
 OR { 2835}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
 ASSI { 2837}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.100     0.600     0.600 peak  2837 spectrum    1 weight  0.11000E+01 volume  0.12599E-01 ppm1      4.359 ppm2      8.414 CV     1
 ASSI { 2838}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HN  ))
      2.600     0.900     0.900 peak  2838 spectrum    1 weight  0.11000E+01 volume  0.51015E-02 ppm1      4.686 ppm2      8.573 CV     1
 ASSI { 2839}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 117  and name HN  ))
      3.300     1.500     1.200 peak  2839 spectrum    1 weight  0.11000E+01 volume  0.56078E-02 ppm1      4.687 ppm2      8.662 CV     1
 ASSI { 2845}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.400     0.600     0.500 peak  2845 spectrum    1 weight  0.11000E+01 volume  0.80292E-02 ppm1      4.342 ppm2      9.083 CV     1
 ASSI { 2847}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.200     0.600     0.600 peak  2847 spectrum    1 weight  0.11000E+01 volume  0.20960E-02 ppm1      4.617 ppm2      9.093 CV     1
 ASSI { 2848}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.000     0.500     0.500 peak  2848 spectrum    1 weight  0.10000E+01 volume  0.95978E-02 ppm1      4.517 ppm2      8.387 CV     1
 ASSI { 2853}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.700     0.900     0.900 peak  2853 spectrum    1 weight  0.11000E+01 volume  0.37723E-02 ppm1      4.219 ppm2      6.830 CV     1
 ASSI { 2861}
   (( segid "    " and resid 123  and name HA  ))
   (  segid "    " and resid 123  and name HD1%)
      2.800     1.000     1.000 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.84643E-02 ppm1      4.234 ppm2      0.690 CV     1
 OR { 2861}
   (( segid "    " and resid 123  and name HA  ))
   (  segid "    " and resid 123  and name HD2%)
 ASSI { 2862}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 138  and name HG2%)
      4.400     2.500     1.600 peak  2862 spectrum    1 weight  0.10000E+01 volume  0.88337E-03 ppm1      5.521 ppm2      1.097 CV     1
 ASSI { 2863}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HB1 ))
      2.700     0.900     0.900 peak  2863 spectrum    1 weight  0.11000E+01 volume  0.63659E-02 ppm1      4.689 ppm2      2.832 CV     1
 ASSI { 2866}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 135  and name HB1 ))
      2.900     1.000     1.000 peak  2866 spectrum    1 weight  0.11000E+01 volume  0.20536E-02 ppm1      5.379 ppm2      3.765 CV     1
 ASSI { 2868}
   (( segid "    " and resid 148  and name HA  ))
   (( segid "    " and resid 148  and name HB2 ))
      2.300     0.600     0.600 peak  2868 spectrum    1 weight  0.10000E+01 volume  0.10678E-01 ppm1      4.215 ppm2      1.701 CV     1
 OR { 2868}
   (( segid "    " and resid 148  and name HA  ))
   (( segid "    " and resid 148  and name HB1 ))
 ASSI { 2869}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 109  and name HG1%)
      3.100     1.200     1.200 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.15278E-02 ppm1      5.517 ppm2      0.572 CV     1
 ASSI { 2873}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 137  and name HB2 ))
      3.300     1.300     1.300 peak  2873 spectrum    1 weight  0.11000E+01 volume  0.11189E-02 ppm1      5.521 ppm2      2.953 CV     1
 ASSI { 2874}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      2.400     0.700     0.700 peak  2874 spectrum    1 weight  0.11000E+01 volume  0.19605E-02 ppm1      5.379 ppm2      7.676 CV     1
 ASSI { 2875}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 136  and name HN  ))
      2.200     0.400     0.600 peak  2875 spectrum    1 weight  0.11000E+01 volume  0.35472E-02 ppm1      5.386 ppm2      8.830 CV     1
 ASSI { 2876}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 135  and name HN  ))
      2.200     0.600     0.600 peak  2876 spectrum    1 weight  0.11000E+01 volume  0.40334E-02 ppm1      5.255 ppm2      9.093 CV     1
 ASSI { 2877}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HN  ))
      2.100     0.600     0.600 peak  2877 spectrum    1 weight  0.11000E+01 volume  0.44560E-02 ppm1      5.530 ppm2      9.098 CV     1
 ASSI { 2878}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 126  and name HN  ))
      2.400     0.700     0.700 peak  2878 spectrum    1 weight  0.11000E+01 volume  0.20218E-02 ppm1      5.651 ppm2      8.863 CV     1
 ASSI { 2881}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 143  and name HN  ))
      2.800     1.000     1.000 peak  2881 spectrum    1 weight  0.11000E+01 volume  0.20069E-02 ppm1      3.638 ppm2      8.980 CV     1
 ASSI { 2886}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 143  and name HG2 ))
      3.500     1.500     1.500 peak  2886 spectrum    1 weight  0.10000E+01 volume  0.19681E-02 ppm1      3.643 ppm2      1.892 CV     1
 ASSI { 2887}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 143  and name HB2 ))
      2.600     0.800     0.800 peak  2887 spectrum    1 weight  0.10000E+01 volume  0.45119E-02 ppm1      3.639 ppm2      1.671 CV     1
 OR { 2887}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 143  and name HB1 ))
 OR { 2887}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 143  and name HG1 ))
 ASSI { 2893}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.000     1.200     2.000 peak  2893 spectrum    1 weight  0.10000E+01 volume  0.71882E-02 ppm1      4.482 ppm2      8.210 CV     1
 ASSI { 2894}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.400     0.700     0.700 peak  2894 spectrum    1 weight  0.11000E+01 volume  0.31647E-02 ppm1      3.785 ppm2      8.689 CV     1
 ASSI { 2896}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.200     0.600     0.600 peak  2896 spectrum    1 weight  0.11000E+01 volume  0.73841E-02 ppm1      3.945 ppm2      7.825 CV     1
 ASSI { 2897}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.300     0.600     0.600 peak  2897 spectrum    1 weight  0.10000E+01 volume  0.40095E-02 ppm1      4.571 ppm2      8.723 CV     1
 ASSI { 2898}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 109  and name HN  ))
      2.200     0.600     0.600 peak  2898 spectrum    1 weight  0.10000E+01 volume  0.37688E-02 ppm1      5.482 ppm2      8.347 CV     1
 ASSI { 2899}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 111  and name HN  ))
      2.200     0.400     0.500 peak  2899 spectrum    1 weight  0.11000E+01 volume  0.42064E-02 ppm1      4.438 ppm2      6.966 CV     1
 ASSI { 2901}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 58   and name HB% )
      3.800     1.800     1.800 peak  2901 spectrum    1 weight  0.10000E+01 volume  0.99862E-03 ppm1      3.784 ppm2      0.272 CV     1
 ASSI { 2902}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.200     1.300     1.300 peak  2902 spectrum    1 weight  0.11000E+01 volume  0.12237E-02 ppm1      3.945 ppm2      2.972 CV     1
 ASSI { 2903}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.100     1.200     1.200 peak  2903 spectrum    1 weight  0.11000E+01 volume  0.12845E-02 ppm1      3.947 ppm2      2.516 CV     1
 ASSI { 2905}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      5.000     3.200     1.000 peak  2905 spectrum    1 weight  0.10000E+01 volume  0.12369E-02 ppm1      3.947 ppm2      1.493 CV     1
 OR { 2905}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HG  ))
 ASSI { 2906}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      4.500     2.500     1.500 peak  2906 spectrum    1 weight  0.10000E+01 volume  0.10282E-02 ppm1      3.937 ppm2      1.180 CV     1
 ASSI { 2908}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      2.500     0.800     0.800 peak  2908 spectrum    1 weight  0.10000E+01 volume  0.19226E-02 ppm1      3.782 ppm2      1.941 CV     1
 ASSI { 2909}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.000     1.100     1.100 peak  2909 spectrum    1 weight  0.10000E+01 volume  0.16566E-02 ppm1      3.787 ppm2      1.797 CV     1
 ASSI { 2913}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HB1 ))
      2.700     0.900     0.900 peak  2913 spectrum    1 weight  0.11000E+01 volume  0.20451E-02 ppm1      4.446 ppm2      3.135 CV     1
 ASSI { 2915}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HB2 ))
      3.200     1.200     1.200 peak  2915 spectrum    1 weight  0.11000E+01 volume  0.15658E-02 ppm1      4.443 ppm2      2.766 CV     1
 ASSI { 2918}
   (( segid "    " and resid 148  and name HA  ))
   (( segid "    " and resid 148  and name HG1 ))
      2.800     1.000     1.000 peak  2918 spectrum    1 weight  0.10000E+01 volume  0.41430E-02 ppm1      4.215 ppm2      1.581 CV     1
 OR { 2918}
   (( segid "    " and resid 148  and name HA  ))
   (( segid "    " and resid 148  and name HG2 ))
 ASSI { 2921}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.100     0.500     0.500 peak  2921 spectrum    1 weight  0.11000E+01 volume  0.16477E-02 ppm1      3.289 ppm2      6.928 CV     1
 ASSI { 2923}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.700     0.900     0.900 peak  2923 spectrum    1 weight  0.10000E+01 volume  0.14116E-02 ppm1      4.500 ppm2      7.746 CV     1
 ASSI { 2933}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HG1 ))
      2.400     0.800     0.800 peak  2933 spectrum    1 weight  0.10000E+01 volume  0.85123E-02 ppm1      4.272 ppm2      1.486 CV     1
 OR { 2933}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HG2 ))
 ASSI { 2934}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HB1 ))
      2.200     0.600     0.600 peak  2934 spectrum    1 weight  0.10000E+01 volume  0.12524E-01 ppm1      4.267 ppm2      1.896 CV     1
 OR { 2934}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HB2 ))
 ASSI { 2941}
   (( segid "    " and resid 122  and name HA  ))
   (( segid "    " and resid 122  and name HN  ))
      2.900     1.000     1.000 peak  2941 spectrum    1 weight  0.11000E+01 volume  0.95355E-03 ppm1      4.023 ppm2      8.795 CV     1
 ASSI { 2942}
   (( segid "    " and resid 122  and name HA  ))
   (( segid "    " and resid 123  and name HN  ))
      2.200     0.600     0.600 peak  2942 spectrum    1 weight  0.11000E+01 volume  0.21115E-02 ppm1      4.026 ppm2      8.551 CV     1
 ASSI { 2943}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 128  and name HN  ))
      3.600     1.600     1.600 peak  2943 spectrum    1 weight  0.10000E+01 volume  0.63058E-03 ppm1      3.620 ppm2      8.148 CV     1
 ASSI { 2945}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.200     0.600     0.600 peak  2945 spectrum    1 weight  0.11000E+01 volume  0.48832E-02 ppm1      3.574 ppm2      6.828 CV     1
 ASSI { 2948}
   (( segid "    " and resid 124  and name HA  ))
   (  segid "    " and resid 134  and name HE% )
      4.200     2.200     1.800 peak  2948 spectrum    1 weight  0.10000E+01 volume  0.69436E-03 ppm1      4.203 ppm2      7.114 CV     1
 ASSI { 2952}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HB2 ))
      2.400     0.700     0.700 peak  2952 spectrum    1 weight  0.11000E+01 volume  0.69824E-02 ppm1      4.207 ppm2      3.676 CV     1
 OR { 2952}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2955}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.600     0.800     0.800 peak  2955 spectrum    1 weight  0.10000E+01 volume  0.27935E-02 ppm1      3.574 ppm2      2.502 CV     1
 ASSI { 2963}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG2 ))
      2.500     0.800     0.800 peak  2963 spectrum    1 weight  0.10000E+01 volume  0.40795E-02 ppm1      3.571 ppm2      2.320 CV     1
 ASSI { 2965}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      3.000     1.200     1.200 peak  2965 spectrum    1 weight  0.10000E+01 volume  0.41555E-02 ppm1      4.427 ppm2      1.669 CV     1
 OR { 2965}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 50   and name HD2 ))
 OR { 2965}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 50   and name HD1 ))
 ASSI { 2966}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HD1 ))
      3.300     1.400     1.400 peak  2966 spectrum    1 weight  0.10000E+01 volume  0.35612E-02 ppm1      4.273 ppm2      1.725 CV     1
 OR { 2966}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HD2 ))
 ASSI { 2967}
   (( segid "    " and resid 122  and name HA  ))
   (( segid "    " and resid 122  and name HB2 ))
      2.700     0.900     0.900 peak  2967 spectrum    1 weight  0.11000E+01 volume  0.13649E-02 ppm1      4.027 ppm2      2.681 CV     1
 ASSI { 2968}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      3.100     1.200     1.200 peak  2968 spectrum    1 weight  0.10000E+01 volume  0.16352E-02 ppm1      3.730 ppm2      9.226 CV     1
 ASSI { 2971}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak  2971 spectrum    1 weight  0.10000E+01 volume  0.92490E-03 ppm1      3.733 ppm2      8.274 CV     1
 ASSI { 2973}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.600     0.600 peak  2973 spectrum    1 weight  0.11000E+01 volume  0.63795E-02 ppm1      4.560 ppm2      7.984 CV     1
 ASSI { 2974}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.000     1.100     1.100 peak  2974 spectrum    1 weight  0.11000E+01 volume  0.16888E-02 ppm1      4.380 ppm2      8.159 CV     1
 ASSI { 2975}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.300     0.500     0.600 peak  2975 spectrum    1 weight  0.10000E+01 volume  0.51053E-02 ppm1      4.509 ppm2      8.898 CV     1
 ASSI { 2977}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 121  and name HN  ))
      2.400     0.700     0.700 peak  2977 spectrum    1 weight  0.11000E+01 volume  0.30045E-02 ppm1      4.234 ppm2      8.732 CV     1
 ASSI { 2981}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HB1 ))
      2.600     0.800     0.800 peak  2981 spectrum    1 weight  0.10000E+01 volume  0.46181E-02 ppm1      4.541 ppm2      4.103 CV     1
 ASSI { 2985}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.000     1.100     1.100 peak  2985 spectrum    1 weight  0.11000E+01 volume  0.11800E-02 ppm1      4.384 ppm2      3.101 CV     1
 ASSI { 2986}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.100     1.200     1.200 peak  2986 spectrum    1 weight  0.11000E+01 volume  0.16379E-02 ppm1      4.384 ppm2      2.776 CV     1
 ASSI { 2990}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 121  and name HB  ))
      4.400     2.400     1.600 peak  2990 spectrum    1 weight  0.10000E+01 volume  0.92338E-03 ppm1      4.253 ppm2      1.985 CV     1
 ASSI { 3001}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 120  and name HB1 ))
      2.700     0.900     0.900 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.14912E-02 ppm1      4.227 ppm2      1.581 CV     1
 OR { 3001}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 120  and name HG1 ))
 ASSI { 3011}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 135  and name HA  ))
      2.500     0.800     0.800 peak  3011 spectrum    1 weight  0.10000E+01 volume  0.22288E-02 ppm1      3.658 ppm2      5.380 CV     1
 ASSI { 3013}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      3.000     1.100     1.100 peak  3013 spectrum    1 weight  0.10000E+01 volume  0.13972E-02 ppm1      3.795 ppm2      4.573 CV     1
 OR { 3013}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 3014}
   (( segid "    " and resid 135  and name HB1 ))
   (( segid "    " and resid 135  and name HN  ))
      2.900     1.000     1.000 peak  3014 spectrum    1 weight  0.11000E+01 volume  0.15923E-02 ppm1      3.768 ppm2      9.095 CV     1
 ASSI { 3015}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 135  and name HN  ))
      3.300     1.300     1.300 peak  3015 spectrum    1 weight  0.11000E+01 volume  0.13338E-02 ppm1      3.658 ppm2      9.094 CV     1
 ASSI { 3018}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      4.500     2.600     1.500 peak  3018 spectrum    1 weight  0.10000E+01 volume  0.64077E-03 ppm1      3.782 ppm2      8.728 CV     1
 OR { 3018}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 3019}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 88   and name HD% )
      3.600     1.600     1.600 peak  3019 spectrum    1 weight  0.10000E+01 volume  0.94594E-03 ppm1      3.799 ppm2      7.121 CV     1
 OR { 3019}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 88   and name HD% )
 ASSI { 3021}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.600     1.600     1.600 peak  3021 spectrum    1 weight  0.10000E+01 volume  0.73925E-03 ppm1      3.983 ppm2      9.100 CV     1
 ASSI { 3023}
   (( segid "    " and resid 135  and name HB1 ))
   (  segid "    " and resid 123  and name HD1%)
      2.500     0.800     0.800 peak  3023 spectrum    1 weight  0.10000E+01 volume  0.60437E-02 ppm1      3.769 ppm2      0.688 CV     1
 OR { 3023}
   (( segid "    " and resid 135  and name HB1 ))
   (  segid "    " and resid 123  and name HD2%)
 ASSI { 3024}
   (( segid "    " and resid 135  and name HB2 ))
   (  segid "    " and resid 123  and name HD1%)
      2.500     0.800     0.800 peak  3024 spectrum    1 weight  0.10000E+01 volume  0.46744E-02 ppm1      3.659 ppm2      0.689 CV     1
 OR { 3024}
   (( segid "    " and resid 135  and name HB2 ))
   (  segid "    " and resid 123  and name HD2%)
 ASSI { 3025}
   (( segid "    " and resid 135  and name HB2 ))
   (  segid "    " and resid 109  and name HG1%)
      4.000     2.000     2.000 peak  3025 spectrum    1 weight  0.10000E+01 volume  0.80718E-03 ppm1      3.655 ppm2      0.575 CV     1
 ASSI { 3034}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HN  ))
      3.300     1.400     1.400 peak  3034 spectrum    1 weight  0.10000E+01 volume  0.89002E-03 ppm1      3.592 ppm2      7.044 CV     1
 ASSI { 3035}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 129  and name HN  ))
      5.000     3.100     1.000 peak  3035 spectrum    1 weight  0.10000E+01 volume  0.70421E-03 ppm1      3.602 ppm2      6.666 CV     1
 OR { 3035}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HN  ))
 ASSI { 3036}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HB1 ))
      3.000     1.100     1.100 peak  3036 spectrum    1 weight  0.10000E+01 volume  0.12522E-02 ppm1      3.604 ppm2      2.669 CV     1
 OR { 3036}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HB1 ))
 ASSI { 3037}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.900     1.000     1.000 peak  3037 spectrum    1 weight  0.11000E+01 volume  0.14882E-02 ppm1      3.661 ppm2      2.663 CV     1
 ASSI { 3043}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.800     0.800 peak  3043 spectrum    1 weight  0.11000E+01 volume  0.24881E-02 ppm1      3.663 ppm2      9.630 CV     1
 ASSI { 3044}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 110  and name HN  ))
      2.400     0.600     0.600 peak  3044 spectrum    1 weight  0.11000E+01 volume  0.45078E-02 ppm1      4.356 ppm2      9.154 CV     1
 ASSI { 3046}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.500     1.500     1.500 peak  3046 spectrum    1 weight  0.11000E+01 volume  0.88721E-03 ppm1      5.492 ppm2      9.093 CV     1
 ASSI { 3047}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.900     0.900 peak  3047 spectrum    1 weight  0.11000E+01 volume  0.16333E-02 ppm1      5.485 ppm2      8.323 CV     1
 ASSI { 3049}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
      3.000     1.200     0.900 peak  3049 spectrum    1 weight  0.10000E+01 volume  0.19098E-02 ppm1      5.494 ppm2      4.258 CV     1
 ASSI { 3054}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 8    and name HA  ))
      4.500     2.500     1.500 peak  3054 spectrum    1 weight  0.11000E+01 volume  0.10382E-02 ppm1      3.662 ppm2      4.561 CV     1
 ASSI { 3055}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HG2%)
      2.800     0.900     0.900 peak  3055 spectrum    1 weight  0.11000E+01 volume  0.31195E-02 ppm1      5.497 ppm2      0.858 CV     1
 ASSI { 3058}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 33   and name HB  ))
      4.300     2.300     1.700 peak  3058 spectrum    1 weight  0.11000E+01 volume  0.67660E-03 ppm1      5.485 ppm2      2.207 CV     1
 ASSI { 3059}
   (( segid "    " and resid 109  and name HA  ))
   (  segid "    " and resid 109  and name HG2%)
      2.700     0.900     0.900 peak  3059 spectrum    1 weight  0.11000E+01 volume  0.62871E-02 ppm1      4.347 ppm2      0.879 CV     1
 ASSI { 3067}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.800     1.000     1.000 peak  3067 spectrum    1 weight  0.11000E+01 volume  0.23597E-02 ppm1      5.154 ppm2      8.455 CV     1
 ASSI { 3068}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 95   and name HD1 ))
      3.000     0.700     0.700 peak  3068 spectrum    1 weight  0.10000E+01 volume  0.25973E-02 ppm1      5.168 ppm2      4.383 CV     1
 ASSI { 3069}
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 94   and name HA  ))
      3.200     1.300     1.300 peak  3069 spectrum    1 weight  0.10000E+01 volume  0.65355E-03 ppm1      3.261 ppm2      5.154 CV     1
 ASSI { 3072}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 94   and name HA  ))
      3.800     1.900     1.900 peak  3072 spectrum    1 weight  0.11000E+01 volume  0.64841E-03 ppm1      2.282 ppm2      5.164 CV     1
 ASSI { 3073}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.500     0.800     0.800 peak  3073 spectrum    1 weight  0.11000E+01 volume  0.16041E-02 ppm1      4.505 ppm2      1.959 CV     1
 OR { 3073}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
 ASSI { 3074}
   (( segid "    " and resid 127  and name HB1 ))
   (( segid "    " and resid 126  and name HA  ))
      4.900     3.000     1.100 peak  3074 spectrum    1 weight  0.10000E+01 volume  0.11828E-02 ppm1      2.093 ppm2      4.731 CV     1
 OR { 3074}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 126  and name HA  ))
 ASSI { 3076}
   (( segid "    " and resid 122  and name HA  ))
   (  segid "    " and resid 123  and name HD1%)
      4.000     2.000     2.000 peak  3076 spectrum    1 weight  0.10000E+01 volume  0.85967E-03 ppm1      4.028 ppm2      0.692 CV     1
 OR { 3076}
   (( segid "    " and resid 122  and name HA  ))
   (  segid "    " and resid 123  and name HD2%)
 ASSI { 3078}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HN  ))
      2.800     1.000     1.000 peak  3078 spectrum    1 weight  0.11000E+01 volume  0.21734E-02 ppm1      3.623 ppm2      8.855 CV     1
 ASSI { 3079}
   (( segid "    " and resid 127  and name HA  ))
   (  segid "    " and resid 125  and name HD% )
      3.900     1.900     1.900 peak  3079 spectrum    1 weight  0.10000E+01 volume  0.11901E-02 ppm1      3.624 ppm2      7.411 CV     1
 ASSI { 3080}
   (( segid "    " and resid 127  and name HA  ))
   (  segid "    " and resid 125  and name HE% )
      2.700     0.900     0.900 peak  3080 spectrum    1 weight  0.10000E+01 volume  0.29217E-02 ppm1      3.622 ppm2      7.264 CV     1
 ASSI { 3081}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 125  and name HN  ))
      2.200     0.600     0.600 peak  3081 spectrum    1 weight  0.11000E+01 volume  0.64944E-02 ppm1      4.205 ppm2      8.531 CV     1
 ASSI { 3082}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak  3082 spectrum    1 weight  0.11000E+01 volume  0.24132E-02 ppm1      4.477 ppm2      9.108 CV     1
 ASSI { 3084}
   (( segid "    " and resid 122  and name HA  ))
   (( segid "    " and resid 135  and name HN  ))
      3.500     1.500     1.500 peak  3084 spectrum    1 weight  0.11000E+01 volume  0.89212E-03 ppm1      4.024 ppm2      9.084 CV     1
 ASSI { 3085}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      2.500     0.800     0.800 peak  3085 spectrum    1 weight  0.11000E+01 volume  0.16624E-02 ppm1      5.897 ppm2      9.358 CV     1
 ASSI { 3086}
   (( segid "    " and resid 122  and name HA  ))
   (( segid "    " and resid 134  and name HA  ))
      2.900     1.100     1.100 peak  3086 spectrum    1 weight  0.11000E+01 volume  0.85313E-03 ppm1      4.024 ppm2      5.247 CV     1
 ASSI { 3087}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 126  and name HA  ))
      4.700     2.700     1.300 peak  3087 spectrum    1 weight  0.11000E+01 volume  0.66260E-03 ppm1      3.624 ppm2      4.727 CV     1
 ASSI { 3088}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 81   and name HA  ))
      4.500     2.500     1.500 peak  3088 spectrum    1 weight  0.10000E+01 volume  0.12516E-02 ppm1      3.574 ppm2      4.230 CV     1
 ASSI { 3091}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HB2 ))
      2.200     0.600     0.600 peak  3091 spectrum    1 weight  0.10000E+01 volume  0.73396E-02 ppm1      3.623 ppm2      2.094 CV     1
 OR { 3091}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HB1 ))
 ASSI { 3095}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.300 peak  3095 spectrum    1 weight  0.10000E+01 volume  0.14542E-02 ppm1      4.430 ppm2      7.364 CV     1
 ASSI { 3096}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HB1 ))
      2.400     0.700     0.700 peak  3096 spectrum    1 weight  0.10000E+01 volume  0.61433E-02 ppm1      4.629 ppm2      4.351 CV     1
 OR { 3096}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 3097}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 119  and name HN  ))
      2.800     1.000     0.500 peak  3097 spectrum    1 weight  0.10000E+01 volume  0.82627E-02 ppm1      4.630 ppm2      8.244 CV     1
 ASSI { 3099}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.900     1.100     1.100 peak  3099 spectrum    1 weight  0.10000E+01 volume  0.24867E-02 ppm1      4.290 ppm2      8.160 CV     1
 ASSI { 3106}
   (( segid "    " and resid 129  and name HA  ))
   (  segid "    " and resid 100  and name HE% )
      3.300     1.400     1.400 peak  3106 spectrum    1 weight  0.10000E+01 volume  0.18089E-02 ppm1      4.449 ppm2      2.108 CV     1
 ASSI { 3114}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 122  and name HN  ))
      2.100     0.500     0.500 peak  3114 spectrum    1 weight  0.11000E+01 volume  0.53031E-02 ppm1      4.301 ppm2      8.793 CV     1
 ASSI { 3117}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak  3117 spectrum    1 weight  0.10000E+01 volume  0.22473E-02 ppm1      4.508 ppm2      6.744 CV     1
 ASSI { 3120}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HN  ))
      2.700     0.900     0.900 peak  3120 spectrum    1 weight  0.11000E+01 volume  0.21902E-02 ppm1      4.357 ppm2      8.362 CV     1
 ASSI { 3121}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.400     0.600     0.600 peak  3121 spectrum    1 weight  0.11000E+01 volume  0.62460E-02 ppm1      4.428 ppm2      8.306 CV     1
 ASSI { 3122}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HN  ))
      3.100     1.200     1.200 peak  3122 spectrum    1 weight  0.11000E+01 volume  0.10765E-02 ppm1      4.453 ppm2      6.660 CV     1
 ASSI { 3130}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.800     1.800     1.500 peak  3130 spectrum    1 weight  0.10000E+01 volume  0.12228E-02 ppm1      4.508 ppm2      8.724 CV     1
 ASSI { 3131}
   (( segid "    " and resid 121  and name HA  ))
   (  segid "    " and resid 121  and name HG2%)
      2.300     0.600     0.600 peak  3131 spectrum    1 weight  0.10000E+01 volume  0.10083E-01 ppm1      4.303 ppm2      0.896 CV     1
 OR { 3131}
   (( segid "    " and resid 121  and name HA  ))
   (  segid "    " and resid 121  and name HG1%)
 ASSI { 3132}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
      2.300     0.700     0.700 peak  3132 spectrum    1 weight  0.10000E+01 volume  0.11049E-01 ppm1      4.429 ppm2      0.861 CV     1
 OR { 3132}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 3133}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB  ))
      2.700     0.900     0.900 peak  3133 spectrum    1 weight  0.11000E+01 volume  0.20329E-02 ppm1      4.353 ppm2      1.172 CV     1
 ASSI { 3134}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB  ))
      2.400     0.700     0.700 peak  3134 spectrum    1 weight  0.11000E+01 volume  0.36297E-02 ppm1      4.559 ppm2      2.241 CV     1
 ASSI { 3135}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.400     0.700     0.700 peak  3135 spectrum    1 weight  0.11000E+01 volume  0.14482E-02 ppm1      4.597 ppm2      9.754 CV     1
 ASSI { 3142}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB  ))
      3.000     1.100     1.100 peak  3142 spectrum    1 weight  0.11000E+01 volume  0.10186E-02 ppm1      5.502 ppm2      3.979 CV     1
 ASSI { 3143}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 111  and name HN  ))
      2.800     1.000     1.000 peak  3143 spectrum    1 weight  0.10000E+01 volume  0.10009E-02 ppm1      4.544 ppm2      6.968 CV     1
 ASSI { 3144}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.200     0.600     0.600 peak  3144 spectrum    1 weight  0.11000E+01 volume  0.38600E-02 ppm1      5.505 ppm2      9.346 CV     1
 ASSI { 3151}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.400     1.500     1.500 peak  3151 spectrum    1 weight  0.10000E+01 volume  0.19429E-02 ppm1      3.954 ppm2      9.105 CV     1
 ASSI { 3152}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      3.100     1.200     1.200 peak  3152 spectrum    1 weight  0.10000E+01 volume  0.17561E-02 ppm1      3.818 ppm2      9.102 CV     1
 ASSI { 3154}
   (( segid "    " and resid 112  and name HB2 ))
   (( segid "    " and resid 113  and name HN  ))
      3.800     1.800     1.800 peak  3154 spectrum    1 weight  0.10000E+01 volume  0.11319E-02 ppm1      3.893 ppm2      8.294 CV     1
 ASSI { 3157}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.400     1.400     1.400 peak  3157 spectrum    1 weight  0.10000E+01 volume  0.82460E-03 ppm1      4.504 ppm2      8.051 CV     1
 ASSI { 3165}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB1 ))
      2.800     1.000     0.500 peak  3165 spectrum    1 weight  0.10000E+01 volume  0.96051E-02 ppm1      4.554 ppm2      2.221 CV     1
 ASSI { 3173}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HN  ))
      2.500     0.800     0.800 peak  3173 spectrum    1 weight  0.11000E+01 volume  0.55850E-02 ppm1      3.976 ppm2      7.084 CV     1
 ASSI { 3175}
   (( segid "    " and resid 118  and name HB1 ))
   (( segid "    " and resid 119  and name HN  ))
      3.800     1.800     1.800 peak  3175 spectrum    1 weight  0.10000E+01 volume  0.25067E-02 ppm1      4.332 ppm2      8.241 CV     1
 ASSI { 4629}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 119  and name HN  ))
      3.800     1.800     1.800 peak  4629 spectrum    1 weight  0.10000E+01 volume  0.25067E-02 ppm1      4.332 ppm2      8.241 CV     1
 ASSI { 4163}
   (( segid "    " and resid 118  and name HB1 ))
   (( segid "    " and resid 118  and name HN  ))
      3.300     1.500     1.800 peak  4163 spectrum    1 weight  0.10000E+01 volume  0.25067E-02 ppm1      4.332 ppm2      8.241 CV     1
 ASSI { 4630}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 118  and name HN  ))
      3.300     1.500     1.800 peak  4630 spectrum    1 weight  0.10000E+01 volume  0.25067E-02 ppm1      4.332 ppm2      8.241 CV     1
 ASSI { 4627}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 136  and name HD1 ))
      4.500     2.500     1.500 peak  4627 spectrum    1 weight  0.10000E+01 volume  0.25067E-02 ppm1      4.332 ppm2      8.241 CV     1
 ASSI { 4628}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 136  and name HE1 ))
      4.000     2.200     2.000 peak  4628 spectrum    1 weight  0.10000E+01 volume  0.25067E-02 ppm1      4.332 ppm2      9.784 CV     1
 ASSI { 4628}
   (( segid "    " and resid 118  and name HB1 ))
   (( segid "    " and resid 136  and name HE1 ))
      4.000     2.200     2.000 peak  4595 spectrum    1 weight  0.10000E+01 volume  0.25067E-02 ppm1      4.385 ppm2      9.784 CV     1
 ASSI { 3177}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.800     1.100     1.100 peak  3177 spectrum    1 weight  0.11000E+01 volume  0.16657E-02 ppm1      4.618 ppm2      8.459 CV     1
 ASSI { 3183}
   (( segid "    " and resid 124  and name HB1 ))
   (( segid "    " and resid 124  and name HN  ))
      3.600     1.600     1.600 peak  3183 spectrum    1 weight  0.10000E+01 volume  0.84305E-03 ppm1      3.677 ppm2      6.529 CV     1
 OR { 3183}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 124  and name HN  ))
 ASSI { 3185}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 107  and name HA  ))
      3.000     1.100     1.100 peak  3185 spectrum    1 weight  0.10000E+01 volume  0.81022E-03 ppm1      3.706 ppm2      5.159 CV     1
 ASSI { 3186}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HA  ))
      3.300     1.400     1.400 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.11623E-02 ppm1      3.599 ppm2      5.154 CV     1
 ASSI { 3192}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.800     1.000     0.900 peak  3192 spectrum    1 weight  0.10000E+01 volume  0.99531E-02 ppm1      4.555 ppm2      2.111 CV     1
 ASSI { 3193}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 96   and name HG2%)
      2.600     0.800     0.800 peak  3193 spectrum    1 weight  0.11000E+01 volume  0.60365E-02 ppm1      3.976 ppm2      1.254 CV     1
 ASSI { 3195}
   (( segid "    " and resid 107  and name HB1 ))
   (  segid "    " and resid 109  and name HG1%)
      3.700     1.700     1.700 peak  3195 spectrum    1 weight  0.10000E+01 volume  0.95716E-03 ppm1      3.706 ppm2      0.584 CV     1
 ASSI { 3196}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 109  and name HG1%)
      3.700     1.700     1.700 peak  3196 spectrum    1 weight  0.10000E+01 volume  0.10203E-02 ppm1      3.599 ppm2      0.576 CV     1
 ASSI { 3198}
   (( segid "    " and resid 118  and name HB2 ))
   (  segid "    " and resid 114  and name HB% )
      3.800     1.800     1.600 peak  3198 spectrum    1 weight  0.10000E+01 volume  0.16761E-02 ppm1      4.359 ppm2      1.564 CV     1
 OR { 3198}
   (( segid "    " and resid 118  and name HB1 ))
   (  segid "    " and resid 114  and name HB% )
 ASSI { 3201}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HG2 ))
      3.600     1.600     1.600 peak  3201 spectrum    1 weight  0.10000E+01 volume  0.34048E-02 ppm1      4.357 ppm2      1.984 CV     1
 OR { 3201}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HG1 ))
 ASSI { 3205}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 98   and name HD1%)
      3.000     1.200     1.000 peak  3205 spectrum    1 weight  0.10000E+01 volume  0.37391E-02 ppm1      4.258 ppm2      0.873 CV     1
 ASSI { 3210}
   (( segid "    " and resid 12   and name HB  ))
   (  segid "    " and resid 11   and name HG2%)
      4.400     2.400     1.600 peak  3210 spectrum    1 weight  0.10000E+01 volume  0.12659E-02 ppm1      3.703 ppm2      1.272 CV     1
 OR { 3210}
   (( segid "    " and resid 12   and name HB  ))
   (  segid "    " and resid 19   and name HD2%)
 ASSI { 3213}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 32   and name HG2%)
      2.400     0.700     0.700 peak  3213 spectrum    1 weight  0.11000E+01 volume  0.67862E-02 ppm1      3.971 ppm2      1.165 CV     1
 ASSI { 3223}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HA  ))
      3.000     1.200     1.200 peak  3223 spectrum    1 weight  0.10000E+01 volume  0.12963E-02 ppm1      4.034 ppm2      4.507 CV     1
 ASSI { 3225}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.100     1.100 peak  3225 spectrum    1 weight  0.10000E+01 volume  0.26345E-02 ppm1      3.706 ppm2      5.496 CV     1
 ASSI { 3226}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 12   and name HN  ))
      2.500     0.800     0.800 peak  3226 spectrum    1 weight  0.10000E+01 volume  0.37658E-02 ppm1      3.706 ppm2      7.985 CV     1
 ASSI { 3229}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 32   and name HN  ))
      3.000     1.100     1.100 peak  3229 spectrum    1 weight  0.11000E+01 volume  0.25425E-02 ppm1      3.970 ppm2      8.726 CV     1
 ASSI { 3231}
   (( segid "    " and resid 67   and name HB  ))
   (( segid "    " and resid 67   and name HN  ))
      2.700     0.900     0.900 peak  3231 spectrum    1 weight  0.11000E+01 volume  0.24866E-02 ppm1      3.994 ppm2      8.383 CV     1
 ASSI { 3234}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 11   and name HA  ))
      4.600     2.600     1.400 peak  3234 spectrum    1 weight  0.10000E+01 volume  0.94381E-03 ppm1      3.703 ppm2      4.564 CV     1
 ASSI { 3235}
   (( segid "    " and resid 67   and name HB  ))
   (( segid "    " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak  3235 spectrum    1 weight  0.11000E+01 volume  0.24800E-02 ppm1      3.994 ppm2      4.814 CV     1
 ASSI { 3236}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak  3236 spectrum    1 weight  0.10000E+01 volume  0.85960E-03 ppm1      4.342 ppm2      7.873 CV     1
 ASSI { 3237}
   (( segid "    " and resid 67   and name HB  ))
   (( segid "    " and resid 68   and name HN  ))
      3.400     1.400     1.400 peak  3237 spectrum    1 weight  0.11000E+01 volume  0.15381E-02 ppm1      3.997 ppm2      8.997 CV     1
 ASSI { 3244}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 22   and name HD1%)
      2.400     0.700     0.700 peak  3244 spectrum    1 weight  0.11000E+01 volume  0.30533E-02 ppm1      0.924 ppm2     -0.014 CV     1
 ASSI { 3254}
   (( segid "    " and resid 98   and name HG  ))
   (( segid "    " and resid 98   and name HA  ))
      3.200     1.300     1.300 peak  3254 spectrum    1 weight  0.10000E+01 volume  0.20363E-02 ppm1      1.773 ppm2      4.366 CV     1
 ASSI { 3258}
   (( segid "    " and resid 98   and name HG  ))
   (( segid "    " and resid 95   and name HA  ))
      4.300     2.300     1.700 peak  3258 spectrum    1 weight  0.10000E+01 volume  0.90589E-03 ppm1      1.771 ppm2      4.481 CV     1
 ASSI { 4648}
   (( segid "    " and resid 98   and name HG  ))
   (( segid "    " and resid 99   and name HN  ))
      4.000     2.200     2.000 peak  4648 spectrum    1 weight  0.10000E+01 volume  0.90589E-03 ppm1      1.771 ppm2      4.481 CV     1
 ASSI { 3263}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.200     1.300     1.300 peak  3263 spectrum    1 weight  0.11000E+01 volume  0.60201E-03 ppm1      5.880 ppm2      9.382 CV     1
 ASSI { 3266}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HD1%)
      3.300     1.400     1.400 peak  3266 spectrum    1 weight  0.10000E+01 volume  0.79284E-03 ppm1      1.839 ppm2      0.645 CV     1
 OR { 3266}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 3271}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 43   and name HD2%)
      3.200     1.300     1.300 peak  3271 spectrum    1 weight  0.10000E+01 volume  0.89234E-03 ppm1      1.727 ppm2      0.636 CV     1
 OR { 3271}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 3277}
   (  segid "    " and resid 98   and name HD2%)
   (( segid "    " and resid 99   and name HB2 ))
      4.000     2.200     2.000 peak  3277 spectrum    1 weight  0.10000E+01 volume  0.25255E-02 ppm1      0.957 ppm2      1.883 CV     1
 OR { 3277}
   (  segid "    " and resid 98   and name HD2%)
   (( segid "    " and resid 99   and name HB1 ))
 ASSI { 3283}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 68   and name HG  ))
      2.800     1.000     1.000 peak  3283 spectrum    1 weight  0.10000E+01 volume  0.23097E-02 ppm1      0.471 ppm2      1.061 CV     1
 ASSI { 3289}
   (( segid "    " and resid 68   and name HG  ))
   (( segid "    " and resid 68   and name HA  ))
      3.500     1.500     1.500 peak  3289 spectrum    1 weight  0.10000E+01 volume  0.10440E-02 ppm1      1.070 ppm2      4.495 CV     1
 ASSI { 3291}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 84   and name HA  ))
      3.200     1.200     1.200 peak  3291 spectrum    1 weight  0.11000E+01 volume  0.85739E-03 ppm1      1.358 ppm2      5.248 CV     1
 ASSI { 3295}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 77   and name HD1%)
      3.600     1.700     1.700 peak  3295 spectrum    1 weight  0.11000E+01 volume  0.17974E-02 ppm1      0.940 ppm2      0.513 CV     1
 ASSI { 3309}
   (  segid "    " and resid 84   and name HD1%)
   (  segid "    " and resid 108  and name HD% )
      4.500     2.500     1.500 peak  3309 spectrum    1 weight  0.11000E+01 volume  0.54435E-03 ppm1      0.167 ppm2      6.808 CV     1
 ASSI { 3315}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 138  and name HG2%)
      3.500     1.500     1.500 peak  3315 spectrum    1 weight  0.10000E+01 volume  0.28669E-02 ppm1     -0.018 ppm2      1.106 CV     1
 ASSI { 3323}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 13   and name HD22))
      3.400     1.500     1.500 peak  3323 spectrum    1 weight  0.10000E+01 volume  0.22387E-02 ppm1      1.110 ppm2      9.455 CV     1
 ASSI { 3325}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 59   and name HA  ))
      2.600     0.800     0.800 peak  3325 spectrum    1 weight  0.10000E+01 volume  0.24249E-02 ppm1      0.950 ppm2      4.596 CV     1
 ASSI { 3331}
   (( segid "    " and resid 96   and name HB  ))
   (( segid "    " and resid 96   and name HN  ))
      2.300     0.700     0.700 peak  3331 spectrum    1 weight  0.11000E+01 volume  0.57105E-02 ppm1      4.102 ppm2      7.082 CV     1
 ASSI { 3332}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HB1 ))
      2.900     1.100     1.100 peak  3332 spectrum    1 weight  0.10000E+01 volume  0.12164E-02 ppm1      2.503 ppm2      1.893 CV     1
 ASSI { 3333}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HG1 ))
      2.900     1.000     1.000 peak  3333 spectrum    1 weight  0.10000E+01 volume  0.13704E-02 ppm1      2.494 ppm2      1.629 CV     1
 ASSI { 3334}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HG2 ))
      2.800     0.900     0.900 peak  3334 spectrum    1 weight  0.10000E+01 volume  0.13676E-02 ppm1      2.501 ppm2      1.453 CV     1
 ASSI { 3335}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HB2 ))
      3.200     1.300     1.300 peak  3335 spectrum    1 weight  0.10000E+01 volume  0.11651E-02 ppm1      2.492 ppm2      1.361 CV     1
 ASSI { 3338}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      4.400     2.400     1.600 peak  3338 spectrum    1 weight  0.10000E+01 volume  0.93586E-03 ppm1      1.649 ppm2      4.569 CV     1
 ASSI { 3339}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      3.500     1.600     1.600 peak  3339 spectrum    1 weight  0.10000E+01 volume  0.76195E-03 ppm1      3.474 ppm2      4.801 CV     1
 ASSI { 3346}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      4.000     2.000     2.000 peak  3346 spectrum    1 weight  0.11000E+01 volume  0.58729E-03 ppm1      3.442 ppm2      8.189 CV     1
 ASSI { 3350}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB1 ))
      3.400     1.400     1.400 peak  3350 spectrum    1 weight  0.11000E+01 volume  0.63271E-03 ppm1      5.900 ppm2      5.099 CV     1
 ASSI { 3351}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB2 ))
      3.300     1.300     1.300 peak  3351 spectrum    1 weight  0.11000E+01 volume  0.49577E-03 ppm1      5.887 ppm2      3.976 CV     1
 ASSI { 3353}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HN  ))
      3.300     1.400     1.400 peak  3353 spectrum    1 weight  0.11000E+01 volume  0.55465E-03 ppm1      5.896 ppm2      9.097 CV     1
 ASSI { 3358}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HN  ))
      3.600     3.600     2.400 peak  3358 spectrum    1 weight  0.11000E+01 volume  0.34178E-03 ppm1      3.985 ppm2      9.187 CV     1
 ASSI { 3359}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HB1 ))
      2.600     0.800     0.800 peak  3359 spectrum    1 weight  0.10000E+01 volume  0.40585E-03 ppm1      3.982 ppm2      5.089 CV     1
 ASSI { 3370}
   (( segid "    " and resid 120  and name HG2 ))
   (( segid "    " and resid 136  and name HB2 ))
      4.700     2.800     1.300 peak  3370 spectrum    1 weight  0.10000E+01 volume  0.55378E-03 ppm1      1.455 ppm2      2.504 CV     1
 ASSI { 3373}
   (( segid "    " and resid 120  and name HD2 ))
   (( segid "    " and resid 120  and name HG2 ))
      3.400     3.400     2.600 peak  3373 spectrum    1 weight  0.11000E+01 volume  0.25775E-03 ppm1      3.153 ppm2      1.580 CV     1
 ASSI { 3374}
   (( segid "    " and resid 132  and name HA  ))
   (( segid "    " and resid 133  and name HN  ))
      2.600     0.800     0.800 peak  3374 spectrum    1 weight  0.11000E+01 volume  0.19524E-02 ppm1      5.224 ppm2      8.815 CV     1
 ASSI { 3382}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.900     1.900     1.900 peak  3382 spectrum    1 weight  0.11000E+01 volume  0.46629E-03 ppm1      5.644 ppm2      8.631 CV     1
 ASSI { 3385}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HA  ))
      3.300     1.400     1.400 peak  3385 spectrum    1 weight  0.11000E+01 volume  0.50292E-03 ppm1      3.049 ppm2      5.641 CV     1
 ASSI { 3388}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
      4.600     2.700     1.400 peak  3388 spectrum    1 weight  0.11000E+01 volume  0.51278E-03 ppm1      3.014 ppm2      9.754 CV     1
 ASSI { 3398}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HB1 ))
      2.900     1.000     1.000 peak  3398 spectrum    1 weight  0.10000E+01 volume  0.11065E-02 ppm1      1.382 ppm2      1.972 CV     1
 OR { 3398}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 3399}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HB2 ))
      2.800     1.000     1.000 peak  3399 spectrum    1 weight  0.10000E+01 volume  0.13089E-02 ppm1      1.658 ppm2      1.967 CV     1
 OR { 3399}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HB1 ))
 ASSI { 3401}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 58   and name HB% )
      4.600     2.600     1.400 peak  3401 spectrum    1 weight  0.10000E+01 volume  0.76477E-03 ppm1      1.486 ppm2      0.268 CV     1
 ASSI { 3403}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 58   and name HB% )
      2.800     1.000     1.000 peak  3403 spectrum    1 weight  0.10000E+01 volume  0.65507E-03 ppm1      1.168 ppm2      0.269 CV     1
 ASSI { 3407}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      5.100     3.200     0.900 peak  3407 spectrum    1 weight  0.10000E+01 volume  0.42704E-03 ppm1      1.200 ppm2      9.301 CV     1
 ASSI { 3424}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB1 ))
      2.600     0.900     0.900 peak  3424 spectrum    1 weight  0.10000E+01 volume  0.26884E-02 ppm1      4.412 ppm2      1.828 CV     1
 OR { 3424}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI { 3426}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 25   and name HN  ))
      4.800     2.900     1.200 peak  3426 spectrum    1 weight  0.10000E+01 volume  0.62110E-03 ppm1     -0.008 ppm2      7.909 CV     1
 ASSI { 3433}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 86   and name HN  ))
      4.500     2.600     1.500 peak  3433 spectrum    1 weight  0.10000E+01 volume  0.40369E-03 ppm1      0.521 ppm2      8.497 CV     1
 OR { 3433}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 86   and name HN  ))
 ASSI { 3435}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
      5.000     3.200     1.000 peak  3435 spectrum    1 weight  0.10000E+01 volume  0.49844E-03 ppm1      0.697 ppm2      5.620 CV     1
 ASSI { 3438}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.100     1.200     1.200 peak  3438 spectrum    1 weight  0.11000E+01 volume  0.11407E-02 ppm1      5.505 ppm2      9.306 CV     1
 ASSI { 3439}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 20   and name HD% )
      3.800     1.800     1.800 peak  3439 spectrum    1 weight  0.10000E+01 volume  0.55496E-03 ppm1      5.498 ppm2      7.458 CV     1
 ASSI { 3442}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak  3442 spectrum    1 weight  0.11000E+01 volume  0.16353E-02 ppm1      4.565 ppm2      8.851 CV     1
 ASSI { 3447}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 15   and name HB% )
      4.700     2.700     1.300 peak  3447 spectrum    1 weight  0.10000E+01 volume  0.10020E-02 ppm1      4.392 ppm2      1.550 CV     1
 ASSI { 3450}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HG2 ))
      4.800     2.800     1.200 peak  3450 spectrum    1 weight  0.10000E+01 volume  0.12292E-02 ppm1      4.392 ppm2      2.178 CV     1
 OR { 3450}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HG1 ))
 ASSI { 3452}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.100     1.100 peak  3452 spectrum    1 weight  0.11000E+01 volume  0.13411E-02 ppm1      4.248 ppm2      5.497 CV     1
 ASSI { 3454}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.000     1.000 peak  3454 spectrum    1 weight  0.11000E+01 volume  0.12941E-02 ppm1      4.359 ppm2      8.199 CV     1
 ASSI { 3456}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      4.000     2.200     1.500 peak  3456 spectrum    1 weight  0.11000E+01 volume  0.51791E-03 ppm1      5.851 ppm2      9.756 CV     1
 ASSI { 3457}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 59   and name HA  ))
      3.000     1.100     1.100 peak  3457 spectrum    1 weight  0.11000E+01 volume  0.89352E-03 ppm1      5.860 ppm2      4.587 CV     1
 ASSI { 3459}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HA  ))
      4.500     2.600     1.500 peak  3459 spectrum    1 weight  0.11000E+01 volume  0.36641E-03 ppm1      5.859 ppm2      5.205 CV     1
 ASSI { 3460}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.900     1.000     1.000 peak  3460 spectrum    1 weight  0.10000E+01 volume  0.69292E-03 ppm1      5.862 ppm2      1.739 CV     1
 ASSI { 3464}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 73   and name HD1%)
      4.700     2.700     1.300 peak  3464 spectrum    1 weight  0.10000E+01 volume  0.43537E-03 ppm1      3.779 ppm2      0.641 CV     1
 ASSI { 3466}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.600     0.800     0.800 peak  3466 spectrum    1 weight  0.11000E+01 volume  0.51255E-02 ppm1      4.297 ppm2      8.334 CV     1
 ASSI { 3467}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.800     1.000     1.000 peak  3467 spectrum    1 weight  0.11000E+01 volume  0.75925E-02 ppm1      4.300 ppm2      8.399 CV     1
 ASSI { 3468}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      3.400     1.400     1.400 peak  3468 spectrum    1 weight  0.11000E+01 volume  0.51418E-03 ppm1      4.281 ppm2      9.643 CV     1
 ASSI { 3474}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 62   and name HA  ))
      3.400     3.400     2.600 peak  3474 spectrum    1 weight  0.11000E+01 volume  0.68729E-03 ppm1      4.034 ppm2      4.915 CV     1
 ASSI { 3479}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HB2 ))
      2.300     0.600     0.600 peak  3479 spectrum    1 weight  0.10000E+01 volume  0.12387E-02 ppm1      3.082 ppm2      2.587 CV     1
 ASSI { 3490}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 88   and name HD% )
      4.000     2.000     2.000 peak  3490 spectrum    1 weight  0.10000E+01 volume  0.46519E-03 ppm1      3.280 ppm2      7.128 CV     1
 ASSI { 3491}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 24   and name HB1 ))
      3.700     1.800     1.800 peak  3491 spectrum    1 weight  0.10000E+01 volume  0.54423E-03 ppm1      0.635 ppm2      4.004 CV     1
 OR { 3491}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 3493}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 47   and name HN  ))
      2.900     2.900     3.100 peak  3493 spectrum    1 weight  0.11000E+01 volume  0.47812E-02 ppm1      0.636 ppm2      7.273 CV     1
 ASSI { 3498}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.200     1.200 peak  3498 spectrum    1 weight  0.11000E+01 volume  0.77846E-03 ppm1      2.580 ppm2      4.921 CV     1
 ASSI { 3500}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.300     1.300     1.300 peak  3500 spectrum    1 weight  0.11000E+01 volume  0.61304E-03 ppm1      3.056 ppm2      4.916 CV     1
 ASSI { 3503}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HB1 ))
      2.000     0.500     0.500 peak  3503 spectrum    1 weight  0.11000E+01 volume  0.27757E-02 ppm1      2.592 ppm2      3.059 CV     1
 ASSI { 3510}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
      4.600     2.700     1.400 peak  3510 spectrum    1 weight  0.10000E+01 volume  0.57196E-03 ppm1      2.591 ppm2      0.175 CV     1
 ASSI { 3514}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 124  and name HN  ))
      4.100     2.100     1.900 peak  3514 spectrum    1 weight  0.11000E+01 volume  0.62479E-03 ppm1      4.235 ppm2      6.525 CV     1
 ASSI { 3516}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      4.100     2.100     1.900 peak  3516 spectrum    1 weight  0.10000E+01 volume  0.87930E-03 ppm1      4.217 ppm2      7.522 CV     1
 ASSI { 3517}
   (( segid "    " and resid 81   and name HB1 ))
   (  segid "    " and resid 83   and name HG1%)
      3.900     1.900     1.900 peak  3517 spectrum    1 weight  0.10000E+01 volume  0.11958E-02 ppm1      2.821 ppm2      0.856 CV     1
 OR { 3517}
   (( segid "    " and resid 81   and name HB1 ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 3519}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
      3.900     1.900     1.900 peak  3519 spectrum    1 weight  0.10000E+01 volume  0.47508E-03 ppm1      2.477 ppm2      7.526 CV     1
 ASSI { 3520}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 83   and name HN  ))
      4.500     2.500     1.500 peak  3520 spectrum    1 weight  0.10000E+01 volume  0.39825E-03 ppm1      2.831 ppm2      7.506 CV     1
 ASSI { 3521}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 82   and name HN  ))
      4.000     2.000     2.000 peak  3521 spectrum    1 weight  0.10000E+01 volume  0.10455E-02 ppm1      2.481 ppm2      6.824 CV     1
 ASSI { 3522}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 82   and name HN  ))
      4.200     2.200     1.800 peak  3522 spectrum    1 weight  0.10000E+01 volume  0.96983E-03 ppm1      2.831 ppm2      6.830 CV     1
 ASSI { 3523}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 80   and name HA  ))
      4.500     2.500     1.500 peak  3523 spectrum    1 weight  0.10000E+01 volume  0.82057E-03 ppm1      2.478 ppm2      4.337 CV     1
 ASSI { 3526}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      5.500     3.700     0.500 peak  3526 spectrum    1 weight  0.11000E+01 volume  0.50441E-03 ppm1      3.575 ppm2      9.079 CV     1
 ASSI { 3532}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.100     1.200     1.200 peak  3532 spectrum    1 weight  0.11000E+01 volume  0.90832E-03 ppm1      5.224 ppm2      8.301 CV     1
 ASSI { 3534}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
      3.700     1.700     1.700 peak  3534 spectrum    1 weight  0.10000E+01 volume  0.14626E-02 ppm1      5.245 ppm2      1.251 CV     1
 OR { 3534}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HG1 ))
 ASSI { 3538}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 132  and name HA  ))
      3.100     1.200     1.200 peak  3538 spectrum    1 weight  0.11000E+01 volume  0.11139E-02 ppm1      5.634 ppm2      5.222 CV     1
 ASSI { 3541}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 86   and name HD2%)
      3.100     1.200     1.200 peak  3541 spectrum    1 weight  0.10000E+01 volume  0.17192E-02 ppm1      4.663 ppm2      0.667 CV     1
 ASSI { 3542}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HA  ))
      3.400     1.500     1.500 peak  3542 spectrum    1 weight  0.11000E+01 volume  0.61540E-03 ppm1      1.638 ppm2      4.667 CV     1
 ASSI { 3544}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
      3.200     1.300     1.300 peak  3544 spectrum    1 weight  0.11000E+01 volume  0.67565E-03 ppm1      1.308 ppm2      4.660 CV     1
 ASSI { 3545}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 106  and name HB1 ))
      4.000     2.000     2.000 peak  3545 spectrum    1 weight  0.10000E+01 volume  0.58417E-03 ppm1      1.623 ppm2      3.086 CV     1
 ASSI { 3547}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 106  and name HB1 ))
      4.800     2.900     1.200 peak  3547 spectrum    1 weight  0.10000E+01 volume  0.42244E-03 ppm1      1.304 ppm2      3.086 CV     1
 ASSI { 3552}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 87   and name HN  ))
      4.200     2.200     1.800 peak  3552 spectrum    1 weight  0.10000E+01 volume  0.44168E-03 ppm1      1.628 ppm2      8.771 CV     1
 ASSI { 3553}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 87   and name HN  ))
      4.900     3.000     1.100 peak  3553 spectrum    1 weight  0.10000E+01 volume  0.43168E-03 ppm1      1.291 ppm2      8.769 CV     1
 ASSI { 3556}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 106  and name HN  ))
      4.200     2.200     1.800 peak  3556 spectrum    1 weight  0.10000E+01 volume  0.39079E-03 ppm1      1.620 ppm2      9.434 CV     1
 ASSI { 3559}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 20   and name HB2 ))
      4.500     2.600     1.500 peak  3559 spectrum    1 weight  0.10000E+01 volume  0.39794E-03 ppm1      0.519 ppm2      2.642 CV     1
 OR { 3559}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 20   and name HB2 ))
 ASSI { 3565}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 86   and name HB1 ))
      2.700     0.900     0.900 peak  3565 spectrum    1 weight  0.10000E+01 volume  0.32086E-02 ppm1      0.631 ppm2      1.623 CV     1
 ASSI { 3568}
   (( segid "    " and resid 87   and name HB  ))
   (( segid "    " and resid 88   and name HN  ))
      4.000     2.000     2.000 peak  3568 spectrum    1 weight  0.10000E+01 volume  0.55465E-03 ppm1      1.829 ppm2      9.205 CV     1
 ASSI { 3572}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 85   and name HD2 ))
      3.700     1.700     1.700 peak  3572 spectrum    1 weight  0.10000E+01 volume  0.97169E-03 ppm1      0.490 ppm2      1.473 CV     1
 OR { 3572}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 85   and name HD1 ))
 ASSI { 3578}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 85   and name HA  ))
      5.000     3.100     1.000 peak  3578 spectrum    1 weight  0.10000E+01 volume  0.45922E-03 ppm1      0.490 ppm2      5.628 CV     1
 ASSI { 3580}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 88   and name HA  ))
      4.200     2.200     1.800 peak  3580 spectrum    1 weight  0.10000E+01 volume  0.60867E-03 ppm1      0.764 ppm2      5.385 CV     1
 ASSI { 3583}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HA  ))
      3.200     1.300     1.300 peak  3583 spectrum    1 weight  0.11000E+01 volume  0.35350E-03 ppm1      3.288 ppm2      5.373 CV     1
 ASSI { 3585}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HN  ))
      4.300     2.300     1.700 peak  3585 spectrum    1 weight  0.10000E+01 volume  0.43415E-03 ppm1      3.279 ppm2      9.231 CV     1
 ASSI { 3588}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB2 ))
      2.500     0.800     0.800 peak  3588 spectrum    1 weight  0.10000E+01 volume  0.28707E-02 ppm1      5.177 ppm2      2.133 CV     1
 OR { 3588}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB1 ))
 ASSI { 3590}
   (( segid "    " and resid 89   and name HB2 ))
   (  segid "    " and resid 87   and name HG2%)
      5.500     3.500     0.500 peak  3590 spectrum    1 weight  0.10000E+01 volume  0.70916E-03 ppm1      2.108 ppm2      0.778 CV     1
 ASSI { 3598}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HB2 ))
      1.500     0.300     0.700 peak  3598 spectrum    1 weight  0.10000E+01 volume  0.23042E-01 ppm1      2.930 ppm2      2.747 CV     1
 ASSI { 3599}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HN  ))
      3.700     1.700     1.700 peak  3599 spectrum    1 weight  0.10000E+01 volume  0.66641E-03 ppm1      2.727 ppm2      9.228 CV     1
 ASSI { 3604}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 72   and name HG2 ))
      4.800     2.800     1.200 peak  3604 spectrum    1 weight  0.10000E+01 volume  0.53670E-03 ppm1      2.724 ppm2      1.680 CV     1
 ASSI { 3622}
   (( segid "    " and resid 147  and name HG1 ))
   (( segid "    " and resid 148  and name HN  ))
      4.000     2.000     2.000 peak  3622 spectrum    1 weight  0.10000E+01 volume  0.58006E-03 ppm1      2.006 ppm2      8.370 CV     1
 OR { 3622}
   (( segid "    " and resid 147  and name HG2 ))
   (( segid "    " and resid 148  and name HN  ))
 ASSI { 3623}
   (( segid "    " and resid 147  and name HG2 ))
   (( segid "    " and resid 146  and name HN  ))
      6.000     5.100     0.000 peak  3623 spectrum    1 weight  0.10000E+01 volume  0.30439E-03 ppm1      1.995 ppm2      8.205 CV     1
 OR { 3623}
   (( segid "    " and resid 147  and name HG1 ))
   (( segid "    " and resid 146  and name HN  ))
 ASSI { 3624}
   (( segid "    " and resid 147  and name HG2 ))
   (( segid "    " and resid 145  and name HN  ))
      5.100     3.300     0.900 peak  3624 spectrum    1 weight  0.10000E+01 volume  0.17686E-03 ppm1      1.996 ppm2      8.580 CV     1
 OR { 3624}
   (( segid "    " and resid 147  and name HG1 ))
   (( segid "    " and resid 145  and name HN  ))
 ASSI { 3625}
   (( segid "    " and resid 147  and name HD2 ))
   (( segid "    " and resid 147  and name HB2 ))
      3.900     1.900     1.900 peak  3625 spectrum    1 weight  0.10000E+01 volume  0.16509E-02 ppm1      3.644 ppm2      1.768 CV     1
 ASSI { 3626}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB  ))
      2.400     0.700     0.700 peak  3626 spectrum    1 weight  0.11000E+01 volume  0.10558E-01 ppm1      3.975 ppm2      4.097 CV     1
 ASSI { 3631}
   (( segid "    " and resid 96   and name HB  ))
   (( segid "    " and resid 97   and name HA  ))
      4.000     2.200     2.000 peak  3631 spectrum    1 weight  0.11000E+01 volume  0.84305E-03 ppm1      4.106 ppm2      4.481 CV     1
 ASSI { 3636}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      4.900     2.900     1.100 peak  3636 spectrum    1 weight  0.10000E+01 volume  0.94662E-03 ppm1      4.490 ppm2      8.631 CV     1
 ASSI { 3643}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 129  and name HN  ))
      4.700     2.800     1.300 peak  3643 spectrum    1 weight  0.10000E+01 volume  0.32679E-03 ppm1      2.106 ppm2      6.664 CV     1
 ASSI { 3645}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HA  ))
      3.900     1.900     1.900 peak  3645 spectrum    1 weight  0.11000E+01 volume  0.44545E-03 ppm1      2.164 ppm2      4.736 CV     1
 ASSI { 3647}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 108  and name HN  ))
      3.700     1.700     1.700 peak  3647 spectrum    1 weight  0.11000E+01 volume  0.43495E-03 ppm1      3.715 ppm2      9.669 CV     1
 ASSI { 3648}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 108  and name HN  ))
      4.300     2.300     1.700 peak  3648 spectrum    1 weight  0.11000E+01 volume  0.54952E-03 ppm1      3.598 ppm2      9.669 CV     1
 ASSI { 3649}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 135  and name HA  ))
      3.200     1.300     1.300 peak  3649 spectrum    1 weight  0.10000E+01 volume  0.58482E-03 ppm1      3.608 ppm2      5.384 CV     1
 ASSI { 3656}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 143  and name HN  ))
      5.000     3.200     1.000 peak  3656 spectrum    1 weight  0.10000E+01 volume  0.45659E-03 ppm1      2.764 ppm2      8.977 CV     1
  ASSI { 3659}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 111  and name HN  ))
      5.000     3.100     1.000 peak  3659 spectrum    1 weight  0.10000E+01 volume  0.37244E-03 ppm1      3.174 ppm2      6.968 CV     1
 ASSI { 3662}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 110  and name HB2 ))
      2.000     0.500     0.500 peak  3662 spectrum    1 weight  0.10000E+01 volume  0.44130E-02 ppm1      3.158 ppm2      2.761 CV     1
 ASSI { 3663}
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 113  and name HB1 ))
      1.700     0.300     0.500 peak  3663 spectrum    1 weight  0.11000E+01 volume  0.93723E-02 ppm1      2.614 ppm2      2.924 CV     1
 ASSI { 3668}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 136  and name HE1 ))
      4.100     2.100     1.900 peak  3668 spectrum    1 weight  0.10000E+01 volume  0.50098E-03 ppm1      1.562 ppm2      9.799 CV     1
 ASSI { 3672}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 136  and name HE1 ))
      4.200     2.200     1.800 peak  3672 spectrum    1 weight  0.10000E+01 volume  0.43427E-03 ppm1      4.232 ppm2      9.791 CV     1
 ASSI { 3675}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 136  and name HA  ))
      3.000     1.100     1.100 peak  3675 spectrum    1 weight  0.10000E+01 volume  0.92277E-03 ppm1      4.229 ppm2      4.887 CV     1
 ASSI { 3678}
   (( segid "    " and resid 120  and name HB2 ))
   (( segid "    " and resid 120  and name HA  ))
      3.600     1.600     1.600 peak  3678 spectrum    1 weight  0.10000E+01 volume  0.52635E-03 ppm1      1.436 ppm2      4.229 CV     1
 ASSI { 3686}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HB  ))
      3.200     1.300     1.300 peak  3686 spectrum    1 weight  0.11000E+01 volume  0.14363E-02 ppm1      4.306 ppm2      1.987 CV     1
 ASSI { 3688}
   (( segid "    " and resid 121  and name HB  ))
   (  segid "    " and resid 123  and name HD1%)
      3.700     1.700     1.700 peak  3688 spectrum    1 weight  0.10000E+01 volume  0.10032E-02 ppm1      1.986 ppm2      0.692 CV     1
 OR { 3688}
   (( segid "    " and resid 121  and name HB  ))
   (  segid "    " and resid 123  and name HD2%)
 ASSI { 3692}
   (( segid "    " and resid 122  and name HA  ))
   (( segid "    " and resid 122  and name HB1 ))
      3.000     1.100     1.100 peak  3692 spectrum    1 weight  0.11000E+01 volume  0.55979E-03 ppm1      4.027 ppm2      2.958 CV     1
 ASSI { 3699}
   (( segid "    " and resid 122  and name HB1 ))
   (  segid "    " and resid 122  and name HD% )
      3.300     1.300     1.300 peak  3699 spectrum    1 weight  0.11000E+01 volume  0.82551E-03 ppm1      2.954 ppm2      6.635 CV     1
 ASSI { 3707}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 125  and name HB1 ))
      5.300     3.500     0.700 peak  3707 spectrum    1 weight  0.10000E+01 volume  0.66671E-03 ppm1      4.209 ppm2      3.387 CV     1
 ASSI { 3708}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 125  and name HB2 ))
      5.100     3.200     0.900 peak  3708 spectrum    1 weight  0.10000E+01 volume  0.57329E-03 ppm1      4.207 ppm2      3.015 CV     1
 ASSI { 3709}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 125  and name HA  ))
      4.600     2.600     1.400 peak  3709 spectrum    1 weight  0.10000E+01 volume  0.55640E-03 ppm1      4.211 ppm2      5.650 CV     1
 ASSI { 3712}
   (( segid "    " and resid 134  and name HA  ))
   (  segid "    " and resid 134  and name HD% )
      2.900     1.100     1.100 peak  3712 spectrum    1 weight  0.10000E+01 volume  0.96507E-03 ppm1      5.252 ppm2      6.627 CV     1
 ASSI { 3714}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HB2 ))
      3.500     1.500     1.500 peak  3714 spectrum    1 weight  0.10000E+01 volume  0.80939E-03 ppm1      5.266 ppm2      1.844 CV     1
 ASSI { 3715}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HB1 ))
      2.800     1.000     1.000 peak  3715 spectrum    1 weight  0.10000E+01 volume  0.10051E-02 ppm1      5.250 ppm2      2.305 CV     1
 ASSI { 3716}
   (( segid "    " and resid 134  and name HB1 ))
   (( segid "    " and resid 134  and name HB2 ))
      2.200     0.600     0.600 peak  3716 spectrum    1 weight  0.10000E+01 volume  0.84411E-03 ppm1      2.286 ppm2      1.844 CV     1
 ASSI { 3722}
   (( segid "    " and resid 134  and name HB1 ))
   (( segid "    " and resid 122  and name HA  ))
      4.500     2.500     1.500 peak  3722 spectrum    1 weight  0.10000E+01 volume  0.29850E-03 ppm1      2.278 ppm2      4.013 CV     1
 ASSI { 3724}
   (( segid "    " and resid 135  and name HB1 ))
   (( segid "    " and resid 134  and name HA  ))
      4.200     2.200     1.800 peak  3724 spectrum    1 weight  0.10000E+01 volume  0.65165E-03 ppm1      3.771 ppm2      5.263 CV     1
 ASSI { 3725}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 134  and name HA  ))
      4.400     2.400     1.600 peak  3725 spectrum    1 weight  0.10000E+01 volume  0.50193E-03 ppm1      3.659 ppm2      5.256 CV     1
 ASSI { 3726}
   (( segid "    " and resid 135  and name HB1 ))
   (( segid "    " and resid 121  and name HB  ))
      3.600     1.600     1.600 peak  3726 spectrum    1 weight  0.10000E+01 volume  0.36351E-03 ppm1      3.769 ppm2      1.999 CV     1
 ASSI { 3728}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 121  and name HB  ))
      4.200     2.200     1.800 peak  3728 spectrum    1 weight  0.10000E+01 volume  0.46009E-03 ppm1      3.653 ppm2      1.995 CV     1
 ASSI { 3730}
   (( segid "    " and resid 136  and name HB1 ))
   (( segid "    " and resid 136  and name HB2 ))
      2.300     0.700     0.700 peak  3730 spectrum    1 weight  0.11000E+01 volume  0.78999E-03 ppm1      3.189 ppm2      2.501 CV     1
 ASSI { 3732}
   (( segid "    " and resid 136  and name HB1 ))
   (( segid "    " and resid 136  and name HA  ))
      4.000     2.000     2.000 peak  3732 spectrum    1 weight  0.10000E+01 volume  0.32261E-03 ppm1      3.173 ppm2      4.880 CV     1
 ASSI { 3733}
   (( segid "    " and resid 136  and name HB2 ))
   (( segid "    " and resid 136  and name HA  ))
      3.400     1.400     1.400 peak  3733 spectrum    1 weight  0.10000E+01 volume  0.35638E-03 ppm1      2.494 ppm2      4.887 CV     1
 ASSI { 3734}
   (( segid "    " and resid 136  and name HB1 ))
   (  segid "    " and resid 108  and name HD% )
      3.000     1.100     1.100 peak  3734 spectrum    1 weight  0.10000E+01 volume  0.52464E-03 ppm1      3.171 ppm2      6.731 CV     1
 ASSI { 3735}
   (( segid "    " and resid 136  and name HB2 ))
   (  segid "    " and resid 108  and name HD% )
      5.000     3.200     1.000 peak  3735 spectrum    1 weight  0.10000E+01 volume  0.38478E-03 ppm1      2.498 ppm2      6.727 CV     1
 ASSI { 3740}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 137  and name HB1 ))
      3.000     1.100     1.100 peak  3740 spectrum    1 weight  0.11000E+01 volume  0.64214E-03 ppm1      5.541 ppm2      3.338 CV     1
 ASSI { 3741}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 137  and name HN  ))
      3.100     3.100     2.900 peak  3741 spectrum    1 weight  0.11000E+01 volume  0.94054E-03 ppm1      5.531 ppm2      9.789 CV     1
 ASSI { 3743}
   (( segid "    " and resid 137  and name HB1 ))
   (( segid "    " and resid 111  and name HD1 ))
      3.200     1.300     1.300 peak  3743 spectrum    1 weight  0.10000E+01 volume  0.75591E-03 ppm1      3.341 ppm2      1.687 CV     1
 OR { 3743}
   (( segid "    " and resid 137  and name HB1 ))
   (( segid "    " and resid 111  and name HD2 ))
 ASSI { 3748}
   (( segid "    " and resid 137  and name HB1 ))
   (( segid "    " and resid 137  and name HN  ))
      4.000     4.000     2.000 peak  3748 spectrum    1 weight  0.11000E+01 volume  0.75264E-03 ppm1      3.343 ppm2      9.793 CV     1
 ASSI { 3749}
   (( segid "    " and resid 137  and name HB2 ))
   (( segid "    " and resid 137  and name HN  ))
      3.200     3.200     2.800 peak  3749 spectrum    1 weight  0.11000E+01 volume  0.55142E-03 ppm1      2.939 ppm2      9.778 CV     1
 ASSI { 3750}
   (( segid "    " and resid 138  and name HB  ))
   (( segid "    " and resid 138  and name HA  ))
      2.700     0.900     0.900 peak  3750 spectrum    1 weight  0.11000E+01 volume  0.11211E-02 ppm1      4.280 ppm2      5.194 CV     1
 ASSI { 3752}
   (( segid "    " and resid 138  and name HB  ))
   (  segid "    " and resid 108  and name HE% )
      4.000     2.000     2.000 peak  3752 spectrum    1 weight  0.10000E+01 volume  0.70287E-03 ppm1      4.285 ppm2      6.500 CV     1
 ASSI { 3754}
   (( segid "    " and resid 138  and name HB  ))
   (( segid "    " and resid 136  and name HD1 ))
      3.700     1.700     1.700 peak  3754 spectrum    1 weight  0.10000E+01 volume  0.50787E-03 ppm1      4.286 ppm2      6.909 CV     1
 ASSI { 3757}
   (( segid "    " and resid 138  and name HB  ))
   (( segid "    " and resid 136  and name HE1 ))
      3.400     1.400     1.400 peak  3757 spectrum    1 weight  0.10000E+01 volume  0.48695E-03 ppm1      4.277 ppm2      9.790 CV     1
 ASSI { 3759}
   (( segid "    " and resid 140  and name HA  ))
   (( segid "    " and resid 141  and name HN  ))
      3.500     1.600     1.600 peak  3759 spectrum    1 weight  0.11000E+01 volume  0.60809E-03 ppm1      4.246 ppm2      7.133 CV     1
 ASSI { 3766}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 108  and name HE% )
      5.000     3.200     1.000 peak  3766 spectrum    1 weight  0.10000E+01 volume  0.61769E-03 ppm1      0.794 ppm2      6.485 CV     1
 ASSI { 3767}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 141  and name HN  ))
      3.100     1.200     1.200 peak  3767 spectrum    1 weight  0.11000E+01 volume  0.10662E-02 ppm1      4.552 ppm2      7.101 CV     1
 ASSI { 3769}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 142  and name HN  ))
      3.800     1.800     1.500 peak  3769 spectrum    1 weight  0.11000E+01 volume  0.97785E-03 ppm1      4.556 ppm2      7.523 CV     1
 ASSI { 3770}
   (  segid "    " and resid 141  and name HB% )
   (  segid "    " and resid 22   and name HD2%)
      3.400     1.500     1.500 peak  3770 spectrum    1 weight  0.10000E+01 volume  0.59958E-03 ppm1      1.165 ppm2     -0.443 CV     1
 ASSI { 3773}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 142  and name HA  ))
      3.200     1.200     1.200 peak  3773 spectrum    1 weight  0.11000E+01 volume  0.15280E-02 ppm1      3.107 ppm2      4.861 CV     1
 ASSI { 3775}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 9    and name HB1 ))
      4.500     2.500     1.500 peak  3775 spectrum    1 weight  0.10000E+01 volume  0.19662E-03 ppm1      3.093 ppm2      2.709 CV     1
 ASSI { 3777}
   (( segid "    " and resid 143  and name HA  ))
   (  segid "    " and resid 20   and name HE% )
      5.000     3.200     1.200 peak  3777 spectrum    1 weight  0.10000E+01 volume  0.61624E-03 ppm1      3.642 ppm2      6.801 CV     1
 ASSI { 3786}
   (( segid "    " and resid 143  and name HG2 ))
   (( segid "    " and resid 144  and name HN  ))
      4.300     2.300     1.700 peak  3786 spectrum    1 weight  0.10000E+01 volume  0.92224E-03 ppm1      1.892 ppm2      8.205 CV     1
 ASSI { 3794}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 46   and name HB2 ))
      4.500     2.500     1.500 peak  3794 spectrum    1 weight  0.10000E+01 volume  0.29126E-03 ppm1      3.760 ppm2      3.988 CV     1
 ASSI { 3799}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.600     0.900     0.900 peak  3799 spectrum    1 weight  0.11000E+01 volume  0.13506E-02 ppm1      4.380 ppm2      2.300 CV     1
 ASSI { 3805}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 20   and name HD% )
      3.900     1.900     1.900 peak  3805 spectrum    1 weight  0.10000E+01 volume  0.45766E-03 ppm1      4.241 ppm2      7.464 CV     1
 ASSI { 3808}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
      2.600     2.600     3.400 peak  3808 spectrum    1 weight  0.11000E+01 volume  0.24556E-02 ppm1      1.250 ppm2     -0.010 CV     1
 OR { 3808}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI { 3822}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      4.000     2.000     2.000 peak  3822 spectrum    1 weight  0.11000E+01 volume  0.46686E-03 ppm1      3.636 ppm2      8.199 CV     1
 ASSI { 3823}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      4.200     4.200     1.800 peak  3823 spectrum    1 weight  0.11000E+01 volume  0.18920E-02 ppm1      3.637 ppm2      4.064 CV     1
 OR { 3823}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI { 3829}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      4.600     4.600     1.400 peak  3829 spectrum    1 weight  0.11000E+01 volume  0.43343E-03 ppm1      5.510 ppm2      9.112 CV     1
 ASSI { 3836}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 33   and name HN  ))
      5.200     3.300     0.800 peak  3836 spectrum    1 weight  0.11000E+01 volume  0.46021E-03 ppm1      3.964 ppm2      9.344 CV     1
 ASSI { 3837}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 32   and name HA  ))
      4.500     2.500     0.500 peak  3837 spectrum    1 weight  0.11000E+01 volume  0.51928E-03 ppm1      2.207 ppm2      5.490 CV     1
 ASSI { 3846}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak  3846 spectrum    1 weight  0.11000E+01 volume  0.62434E-03 ppm1      4.621 ppm2      8.229 CV     1
 ASSI { 3866}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 54   and name HB% )
      4.500     2.500     1.500 peak  3866 spectrum    1 weight  0.10000E+01 volume  0.15055E-02 ppm1      4.383 ppm2      1.437 CV     1
 ASSI { 3869}
   (  segid "    " and resid 54   and name HB% )
   (( segid "    " and resid 54   and name HA  ))
      2.100     0.500     0.500 peak  3869 spectrum    1 weight  0.11000E+01 volume  0.16976E-01 ppm1      1.428 ppm2      4.297 CV     1
 ASSI { 3870}
   (  segid "    " and resid 54   and name HB% )
   (( segid "    " and resid 55   and name HA  ))
      3.300     1.500     1.500 peak  3870 spectrum    1 weight  0.11000E+01 volume  0.68828E-02 ppm1      1.433 ppm2      4.361 CV     1
 OR { 3870}
   (  segid "    " and resid 54   and name HB% )
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 3872}
   (  segid "    " and resid 54   and name HB% )
   (( segid "    " and resid 57   and name HN  ))
      5.500     3.500     0.600 peak  3872 spectrum    1 weight  0.10000E+01 volume  0.55697E-03 ppm1      1.429 ppm2      7.571 CV     1
 ASSI { 3874}
   (  segid "    " and resid 138  and name HG2%)
   (( segid "    " and resid 108  and name HB2 ))
      4.400     2.400     1.600 peak  3874 spectrum    1 weight  0.10000E+01 volume  0.16647E-02 ppm1      1.099 ppm2      2.412 CV     1
 ASSI { 3875}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 53   and name HB2 ))
      2.700     0.900     0.900 peak  3875 spectrum    1 weight  0.10000E+01 volume  0.26896E-02 ppm1      1.194 ppm2      2.777 CV     1
 ASSI { 3877}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 69   and name HB2 ))
      3.800     1.800     1.800 peak  3877 spectrum    1 weight  0.10000E+01 volume  0.16382E-02 ppm1      1.193 ppm2      2.605 CV     1
 ASSI { 3878}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 57   and name HA  ))
      2.100     0.600     0.600 peak  3878 spectrum    1 weight  0.11000E+01 volume  0.57101E-02 ppm1      1.199 ppm2      4.054 CV     1
 ASSI { 3881}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 69   and name HA  ))
      3.700     1.700     1.700 peak  3881 spectrum    1 weight  0.10000E+01 volume  0.12065E-02 ppm1      1.198 ppm2      4.814 CV     1
 ASSI { 3883}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 56   and name HN  ))
      4.100     2.100     1.900 peak  3883 spectrum    1 weight  0.11000E+01 volume  0.19070E-02 ppm1      1.197 ppm2      8.428 CV     1
 ASSI { 3886}
   (( segid "    " and resid 71   and name HA2 ))
   (( segid "    " and resid 103  and name HA  ))
      3.600     3.600     2.400 peak  3886 spectrum    1 weight  0.10000E+01 volume  0.98862E-03 ppm1      3.997 ppm2      4.362 CV     1
 ASSI { 3888}
   (( segid "    " and resid 56   and name HA1 ))
   (  segid "    " and resid 73   and name HD2%)
      5.900     4.300     0.100 peak  3888 spectrum    1 weight  0.10000E+01 volume  0.46219E-03 ppm1      3.991 ppm2      0.854 CV     1
 ASSI { 3891}
   (( segid "    " and resid 56   and name HA1 ))
   (( segid "    " and resid 48   and name HB2 ))
      5.400     3.600     0.600 peak  3891 spectrum    1 weight  0.10000E+01 volume  0.39958E-03 ppm1      3.982 ppm2      1.813 CV     1
 ASSI { 3893}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      4.400     2.400     1.600 peak  3893 spectrum    1 weight  0.10000E+01 volume  0.60258E-03 ppm1      4.041 ppm2      1.956 CV     1
 OR { 3893}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
 ASSI { 3899}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 60   and name HA  ))
      4.500     2.500     1.500 peak  3899 spectrum    1 weight  0.10000E+01 volume  0.48976E-03 ppm1      1.205 ppm2      5.621 CV     1
 ASSI { 3911}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 61   and name HN  ))
      3.100     1.200     1.200 peak  3911 spectrum    1 weight  0.11000E+01 volume  0.73396E-03 ppm1      1.694 ppm2      9.765 CV     1
 ASSI { 3913}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 42   and name HN  ))
      4.500     2.500     1.500 peak  3913 spectrum    1 weight  0.11000E+01 volume  0.62924E-03 ppm1      4.036 ppm2      8.897 CV     1
 OR { 3913}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 4546}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 62   and name HG2% ))
      4.000     2.200     1.000 peak  4546 spectrum    1 weight  0.10000E+01 volume  0.56101E-03 ppm1      4.042 ppm2      8.163 CV     1
 ASSI { 3917}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 62   and name HA  ))
      2.400     0.700     0.700 peak  3917 spectrum    1 weight  0.11000E+01 volume  0.47729E-02 ppm1      1.173 ppm2      4.923 CV     1
 ASSI { 3919}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 63   and name HN  ))
      3.300     1.500     1.300 peak  3919 spectrum    1 weight  0.10000E+01 volume  0.40631E-02 ppm1      1.175 ppm2      8.544 CV     1
 ASSI { 4623}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 87   and name HN  ))
      5.000     3.200     1.000 peak  3919 spectrum    1 weight  0.10000E+01 volume  0.40631E-02 ppm1      1.175 ppm2      8.544 CV     1
 ASSI { 3920}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 40   and name HN  ))
      4.000     2.200     2.000 peak  3920 spectrum    1 weight  0.10000E+01 volume  0.11977E-02 ppm1      1.173 ppm2      8.168 CV     1
 OR { 3920}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 3922}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      3.300     1.300     1.300 peak  3922 spectrum    1 weight  0.11000E+01 volume  0.81361E-03 ppm1      1.996 ppm2      4.825 CV     1
 ASSI { 3929}
   (( segid "    " and resid 67   and name HB  ))
   (( segid "    " and resid 66   and name HA  ))
      4.500     2.500     1.500 peak  3929 spectrum    1 weight  0.11000E+01 volume  0.10634E-02 ppm1      3.999 ppm2      4.514 CV     1
 ASSI { 3932}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HA  ))
      3.200     1.300     1.300 peak  3932 spectrum    1 weight  0.11000E+01 volume  0.42335E-03 ppm1      3.109 ppm2      4.822 CV     1
 ASSI { 3939}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 57   and name HA  ))
      3.000     1.200     1.000 peak  3939 spectrum    1 weight  0.11000E+01 volume  0.19511E-02 ppm1      4.506 ppm2      4.026 CV     1
 ASSI { 3940}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      4.300     2.500     0.700 peak  3940 spectrum    1 weight  0.10000E+01 volume  0.33339E-03 ppm1      1.334 ppm2      7.343 CV     1
 ASSI { 3943}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      4.000     2.200     1.000 peak  3943 spectrum    1 weight  0.10000E+01 volume  0.46721E-03 ppm1      1.332 ppm2      3.665 CV     1
 ASSI { 3944}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.500     0.800     0.800 peak  3944 spectrum    1 weight  0.10000E+01 volume  0.43742E-02 ppm1      4.341 ppm2      1.728 CV     1
 ASSI { 3945}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB  ))
      2.700     0.900     0.900 peak  3945 spectrum    1 weight  0.11000E+01 volume  0.30644E-02 ppm1      4.428 ppm2      1.995 CV     1
 ASSI { 3946}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HA  ))
      4.100     2.100     1.900 peak  3946 spectrum    1 weight  0.10000E+01 volume  0.83666E-03 ppm1      4.427 ppm2      5.236 CV     1
 ASSI { 3947}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 84   and name HD1%)
      5.500     3.700     0.700 peak  3947 spectrum    1 weight  0.10000E+01 volume  0.66454E-03 ppm1      4.430 ppm2      0.439 CV     1
 ASSI { 3948}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB1 ))
      2.900     1.000     1.000 peak  3948 spectrum    1 weight  0.10000E+01 volume  0.22570E-02 ppm1      4.681 ppm2      2.050 CV     1
 OR { 3948}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 3949}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HG2 ))
      3.600     1.600     1.600 peak  3949 spectrum    1 weight  0.10000E+01 volume  0.16023E-02 ppm1      4.684 ppm2      2.435 CV     1
 ASSI { 3951}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB1 ))
      2.400     0.700     0.700 peak  3951 spectrum    1 weight  0.11000E+01 volume  0.12550E-01 ppm1      4.916 ppm2      2.840 CV     1
 OR { 3951}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB2 ))
 ASSI { 3959}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      2.400     0.700     0.700 peak  3959 spectrum    1 weight  0.11000E+01 volume  0.29860E-02 ppm1      5.167 ppm2      9.678 CV     1
 ASSI { 3962}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      3.100     1.200     1.200 peak  3962 spectrum    1 weight  0.11000E+01 volume  0.76450E-03 ppm1      5.482 ppm2      9.675 CV     1
 ASSI { 3963}
   (( segid "    " and resid 108  and name HA  ))
   (  segid "    " and resid 108  and name HD% )
      3.200     1.300     1.300 peak  3963 spectrum    1 weight  0.11000E+01 volume  0.76652E-03 ppm1      5.479 ppm2      6.742 CV     1
 ASSI { 3966}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HB1 ))
      2.800     1.000     1.000 peak  3966 spectrum    1 weight  0.11000E+01 volume  0.73773E-03 ppm1      5.480 ppm2      2.975 CV     1
 ASSI { 3985}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 125  and name HB1 ))
      3.700     1.700     1.700 peak  3985 spectrum    1 weight  0.10000E+01 volume  0.62742E-03 ppm1      5.662 ppm2      3.393 CV     1
 ASSI { 3986}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 125  and name HB2 ))
      2.900     1.000     1.000 peak  3986 spectrum    1 weight  0.11000E+01 volume  0.96055E-03 ppm1      5.647 ppm2      3.032 CV     1
 ASSI { 3998}
   (( segid "    " and resid 135  and name HA  ))
   (  segid "    " and resid 123  and name HD1%)
      4.200     2.200     1.800 peak  3998 spectrum    1 weight  0.10000E+01 volume  0.91570E-03 ppm1      5.384 ppm2      0.691 CV     1
 OR { 3998}
   (( segid "    " and resid 135  and name HA  ))
   (  segid "    " and resid 123  and name HD2%)
 ASSI { 4002}
   (( segid "    " and resid 132  and name HA  ))
   (( segid "    " and resid 124  and name HN  ))
      4.000     2.200     2.000 peak  4002 spectrum    1 weight  0.10000E+01 volume  0.16234E-02 ppm1      5.197 ppm2      6.518 CV     1
 ASSI { 4005}
   (  segid "    " and resid 138  and name HG2%)
   (( segid "    " and resid 108  and name HB1 ))
      3.400     1.500     1.500 peak  4005 spectrum    1 weight  0.10000E+01 volume  0.11454E-02 ppm1      1.096 ppm2      2.978 CV     1
 ASSI { 4006}
   (  segid "    " and resid 138  and name HG2%)
   (  segid "    " and resid 140  and name HD2%)
      3.900     1.900     1.900 peak  4006 spectrum    1 weight  0.10000E+01 volume  0.62590E-03 ppm1      1.094 ppm2      0.661 CV     1
 ASSI { 4007}
   (  segid "    " and resid 138  and name HG2%)
   (  segid "    " and resid 84   and name HD2%)
      5.200     3.400     0.800 peak  4007 spectrum    1 weight  0.10000E+01 volume  0.49638E-03 ppm1      1.100 ppm2      0.448 CV     1
 ASSI { 4008}
   (  segid "    " and resid 138  and name HG2%)
   (  segid "    " and resid 22   and name HD2%)
      3.100     1.200     1.200 peak  4008 spectrum    1 weight  0.10000E+01 volume  0.86093E-03 ppm1      1.099 ppm2     -0.447 CV     1
 ASSI { 4009}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 105  and name HB1 ))
      4.600     4.600     1.400 peak  4009 spectrum    1 weight  0.11000E+01 volume  0.74593E-03 ppm1      0.333 ppm2      3.092 CV     1
 ASSI { 4019}
   (  segid "    " and resid 98   and name HD2%)
   (( segid "    " and resid 97   and name HN  ))
      4.500     2.500     1.500 peak  4019 spectrum    1 weight  0.10000E+01 volume  0.56169E-03 ppm1      0.954 ppm2      7.078 CV     1
 ASSI { 4022}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 26   and name HB2 ))
      3.600     1.700     1.700 peak  4022 spectrum    1 weight  0.10000E+01 volume  0.10201E-02 ppm1      2.433 ppm2      1.873 CV     1
 ASSI { 4028}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      2.700     0.900     0.900 peak  4028 spectrum    1 weight  0.10000E+01 volume  0.14887E-02 ppm1      0.864 ppm2      4.691 CV     1
 ASSI { 4038}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      5.000     3.200     1.000 peak  4038 spectrum    1 weight  0.10000E+01 volume  0.42190E-03 ppm1      0.740 ppm2      5.360 CV     1
 ASSI { 4044}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 21   and name HN  ))
      5.000     3.100     1.000 peak  4044 spectrum    1 weight  0.10000E+01 volume  0.47831E-03 ppm1      0.739 ppm2      8.569 CV     1
 ASSI { 4047}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 20   and name HN  ))
      4.100     2.100     1.900 peak  4047 spectrum    1 weight  0.10000E+01 volume  0.85667E-03 ppm1      0.736 ppm2      9.303 CV     1
 ASSI { 4049}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 66   and name HN  ))
      3.500     1.500     1.300 peak  4049 spectrum    1 weight  0.10000E+01 volume  0.65773E-03 ppm1      2.222 ppm2      7.586 CV     1
 ASSI { 4050}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
      3.500     1.500     1.200 peak  4050 spectrum    1 weight  0.10000E+01 volume  0.84202E-03 ppm1      2.114 ppm2      7.591 CV     1
 ASSI { 4052}
   (( segid "    " and resid 128  and name HG1 ))
   (  segid "    " and resid 96   and name HG2%)
      4.000     2.200     2.000 peak  4052 spectrum    1 weight  0.10000E+01 volume  0.11347E-02 ppm1      2.436 ppm2      1.255 CV     1
 ASSI { 4062}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 83   and name HN  ))
      4.000     2.200     2.000 peak  4062 spectrum    1 weight  0.10000E+01 volume  0.57059E-03 ppm1      2.290 ppm2      7.512 CV     1
 ASSI { 4076}
   (( segid "    " and resid 75   and name HE2 ))
   (( segid "    " and resid 75   and name HD1 ))
      1.900     0.500     0.500 peak  4076 spectrum    1 weight  0.10000E+01 volume  0.12405E-01 ppm1      2.899 ppm2      1.629 CV     1
 OR { 4076}
   (( segid "    " and resid 75   and name HE1 ))
   (( segid "    " and resid 75   and name HD2 ))
 OR { 4076}
   (( segid "    " and resid 75   and name HE1 ))
   (( segid "    " and resid 75   and name HD1 ))
 OR { 4076}
   (( segid "    " and resid 75   and name HE2 ))
   (( segid "    " and resid 75   and name HD2 ))
 OR { 4076}
   (( segid "    " and resid 75   and name HE1 ))
   (( segid "    " and resid 75   and name HB1 ))
 OR { 4076}
   (( segid "    " and resid 75   and name HE2 ))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI { 4079}
   (( segid "    " and resid 75   and name HE1 ))
   (( segid "    " and resid 75   and name HN  ))
      3.800     1.800     1.800 peak  4079 spectrum    1 weight  0.10000E+01 volume  0.77827E-03 ppm1      2.904 ppm2      8.731 CV     1
 OR { 4079}
   (( segid "    " and resid 75   and name HE2 ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 4084}
   (( segid "    " and resid 75   and name HE1 ))
   (( segid "    " and resid 9    and name HN  ))
      5.000     3.200     1.000 peak  4084 spectrum    1 weight  0.10000E+01 volume  0.49958E-03 ppm1      2.903 ppm2      9.634 CV     1
 OR { 4084}
   (( segid "    " and resid 75   and name HE2 ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI { 4085}
   (( segid "    " and resid 75   and name HE2 ))
   (( segid "    " and resid 26   and name HD2 ))
      1.800     1.800     4.200 peak  4085 spectrum    1 weight  0.10000E+01 volume  0.90661E-02 ppm1      2.909 ppm2      1.703 CV     1
 OR { 4085}
   (( segid "    " and resid 75   and name HE2 ))
   (( segid "    " and resid 26   and name HD1 ))
 OR { 4085}
   (( segid "    " and resid 75   and name HE1 ))
   (( segid "    " and resid 26   and name HD2 ))
 OR { 4085}
   (( segid "    " and resid 75   and name HE1 ))
   (( segid "    " and resid 26   and name HD1 ))
 ASSI { 4087}
   (( segid "    " and resid 148  and name HD1 ))
   (( segid "    " and resid 147  and name HD2 ))
      2.800     2.800     3.200 peak  4087 spectrum    1 weight  0.10000E+01 volume  0.77302E-03 ppm1      3.187 ppm2      3.635 CV     1
 OR { 4087}
   (( segid "    " and resid 148  and name HD2 ))
   (( segid "    " and resid 147  and name HD2 ))
 ASSI { 4100}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 6    and name HE22))
      4.200     2.200     1.800 peak  4100 spectrum    1 weight  0.10000E+01 volume  0.68523E-03 ppm1      4.226 ppm2      6.802 CV     1
 ASSI { 4104}
   (( segid "    " and resid 93   and name HD1 ))
   (( segid "    " and resid 92   and name HB1 ))
      5.300     3.500     0.700 peak  4104 spectrum    1 weight  0.10000E+01 volume  0.47550E-03 ppm1      3.679 ppm2      2.824 CV     1
 OR { 4104}
   (( segid "    " and resid 93   and name HD1 ))
   (( segid "    " and resid 92   and name HB2 ))
 ASSI { 4119}
   (( segid "    " and resid 131  and name HB  ))
   (  segid "    " and resid 133  and name HE% )
      4.700     2.800     1.300 peak  4119 spectrum    1 weight  0.10000E+01 volume  0.50498E-03 ppm1      3.518 ppm2      6.241 CV     1
 ASSI { 4121}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 131  and name HN  ))
      4.100     2.100     1.900 peak  4121 spectrum    1 weight  0.10000E+01 volume  0.48569E-03 ppm1      3.520 ppm2      7.041 CV     1
 ASSI { 4126}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HA  ))
      5.000     3.100     1.000 peak  4126 spectrum    1 weight  0.10000E+01 volume  0.69048E-03 ppm1      2.493 ppm2      4.891 CV     1
 ASSI { 4139}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 86   and name HA  ))
      4.900     2.900     1.100 peak  4139 spectrum    1 weight  0.10000E+01 volume  0.46371E-03 ppm1      0.762 ppm2      4.662 CV     1
 ASSI { 4144}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
      2.800     1.000     1.000 peak  4144 spectrum    1 weight  0.10000E+01 volume  0.10710E-02 ppm1      1.284 ppm2      0.172 CV     1
 ASSI { 4145}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
      3.200     1.300     1.300 peak  4145 spectrum    1 weight  0.10000E+01 volume  0.12053E-02 ppm1      1.287 ppm2      0.441 CV     1
 ASSI { 4146}
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 84   and name HD2%)
      2.900     1.000     1.000 peak  4146 spectrum    1 weight  0.10000E+01 volume  0.97614E-03 ppm1      1.738 ppm2      0.439 CV     1
 ASSI { 4147}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HB2 ))
      1.800     0.400     0.400 peak  4147 spectrum    1 weight  0.11000E+01 volume  0.17869E-02 ppm1      1.735 ppm2      1.323 CV     1
 ASSI { 4150}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 108  and name HB2 ))
      3.800     1.800     1.800 peak  4150 spectrum    1 weight  0.10000E+01 volume  0.46664E-03 ppm1      1.287 ppm2      2.410 CV     1
 ASSI { 4151}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 108  and name HB1 ))
      4.400     2.400     1.600 peak  4151 spectrum    1 weight  0.10000E+01 volume  0.55507E-03 ppm1      1.288 ppm2      2.963 CV     1
 ASSI { 4152}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HA  ))
      3.200     1.300     1.300 peak  4152 spectrum    1 weight  0.11000E+01 volume  0.65895E-03 ppm1      1.738 ppm2      5.245 CV     1
 ASSI { 4154}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 108  and name HD% )
      5.000     3.200     1.000 peak  4154 spectrum    1 weight  0.10000E+01 volume  0.62871E-03 ppm1      1.286 ppm2      6.726 CV     1
 ASSI { 4155}
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 108  and name HD% )
      4.100     2.100     1.900 peak  4155 spectrum    1 weight  0.10000E+01 volume  0.52388E-03 ppm1      1.747 ppm2      6.730 CV     1
 ASSI { 4156}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HN  ))
      3.000     1.100     1.100 peak  4156 spectrum    1 weight  0.11000E+01 volume  0.56416E-03 ppm1      1.289 ppm2      8.300 CV     1
 ASSI { 4160}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 108  and name HB2 ))
      4.000     2.000     2.000 peak  4160 spectrum    1 weight  0.10000E+01 volume  0.51608E-03 ppm1      0.437 ppm2      2.408 CV     1
 ASSI { 4164}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 84   and name HA  ))
      3.400     1.400     1.400 peak  4164 spectrum    1 weight  0.10000E+01 volume  0.12407E-02 ppm1      0.437 ppm2      5.240 CV     1
 ASSI { 4166}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 77   and name HA  ))
      4.500     2.500     1.500 peak  4166 spectrum    1 weight  0.10000E+01 volume  0.49520E-03 ppm1      0.442 ppm2      5.025 CV     1
 ASSI { 4169}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 141  and name HN  ))
      5.200     3.400     0.800 peak  4169 spectrum    1 weight  0.10000E+01 volume  0.42046E-03 ppm1      0.437 ppm2      7.118 CV     1
 ASSI { 4178}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HG  ))
      3.400     1.400     1.400 peak  4178 spectrum    1 weight  0.10000E+01 volume  0.47729E-03 ppm1      1.292 ppm2      0.882 CV     1
 ASSI { 4183}
   (( segid "    " and resid 140  and name HG  ))
   (( segid "    " and resid 3    and name HN  ))
      3.300     3.300     2.700 peak  4183 spectrum    1 weight  0.10000E+01 volume  0.29123E-03 ppm1      1.257 ppm2      8.468 CV     1
 ASSI { 4187}
   (  segid "    " and resid 68   and name HD2%)
   (( segid "    " and resid 68   and name HN  ))
      5.100     3.200     0.900 peak  4187 spectrum    1 weight  0.10000E+01 volume  0.44998E-03 ppm1      0.471 ppm2      9.002 CV     1
 ASSI { 4188}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HB1 ))
      2.000     0.500     0.500 peak  4188 spectrum    1 weight  0.10000E+01 volume  0.24412E-02 ppm1      3.980 ppm2      3.096 CV     1
 ASSI { 4196}
   (( segid "    " and resid 106  and name HB1 ))
   (  segid "    " and resid 108  and name HE% )
      3.600     1.600     1.600 peak  4196 spectrum    1 weight  0.10000E+01 volume  0.41323E-03 ppm1      3.099 ppm2      6.454 CV     1
 ASSI { 4200}
   (( segid "    " and resid 65   and name HD2 ))
   (( segid "    " and resid 65   and name HA  ))
      4.600     2.600     1.400 peak  4200 spectrum    1 weight  0.11000E+01 volume  0.56683E-03 ppm1      3.726 ppm2      4.554 CV     1
 ASSI { 4201}
   (( segid "    " and resid 65   and name HD1 ))
   (( segid "    " and resid 65   and name HA  ))
      4.400     2.400     1.600 peak  4201 spectrum    1 weight  0.11000E+01 volume  0.61030E-03 ppm1      4.022 ppm2      4.552 CV     1
 ASSI { 4216}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 33   and name HB  ))
      2.800     1.000     1.000 peak  4216 spectrum    1 weight  0.11000E+01 volume  0.75636E-03 ppm1      1.398 ppm2      2.204 CV     1
 ASSI { 4218}
   (( segid "    " and resid 120  and name HG1 ))
   (( segid "    " and resid 136  and name HA  ))
      4.700     2.700     1.300 peak  4218 spectrum    1 weight  0.10000E+01 volume  0.66895E-03 ppm1      1.631 ppm2      4.889 CV     1
 ASSI { 4220}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HA  ))
      3.800     1.800     1.800 peak  4220 spectrum    1 weight  0.10000E+01 volume  0.47782E-03 ppm1      1.430 ppm2      5.357 CV     1
 ASSI { 4225}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 34   and name HN  ))
      4.100     2.100     1.900 peak  4225 spectrum    1 weight  0.10000E+01 volume  0.57280E-03 ppm1      1.399 ppm2      8.320 CV     1
 OR { 4225}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 4230}
   (  segid "    " and resid 33   and name HG2%)
   (  segid "    " and resid 41   and name HD1%)
      4.400     2.400     1.600 peak  4230 spectrum    1 weight  0.10000E+01 volume  0.28817E-02 ppm1      0.960 ppm2      0.624 CV     1
 ASSI { 4233}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
      2.500     0.800     0.800 peak  4233 spectrum    1 weight  0.10000E+01 volume  0.74773E-02 ppm1      3.965 ppm2      4.289 CV     1
 OR { 4233}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 4245}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      3.600     1.600     1.600 peak  4245 spectrum    1 weight  0.10000E+01 volume  0.55153E-03 ppm1      1.853 ppm2      5.854 CV     1
 ASSI { 4247}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 59   and name HG2%)
      3.800     1.500     1.500 peak  4247 spectrum    1 weight  0.10000E+01 volume  0.47751E-03 ppm1      1.718 ppm2      1.159 CV     1
 ASSI { 4250}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 59   and name HG2%)
      4.500     2.600     1.500 peak  4250 spectrum    1 weight  0.10000E+01 volume  0.35733E-03 ppm1      1.838 ppm2      1.148 CV     1
 ASSI { 4251}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      4.100     4.100     1.900 peak  4251 spectrum    1 weight  0.11000E+01 volume  0.62308E-03 ppm1      0.634 ppm2      4.837 CV     1
 ASSI { 4252}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HA  ))
      4.500     2.500     1.500 peak  4252 spectrum    1 weight  0.10000E+01 volume  0.59828E-03 ppm1      0.671 ppm2      5.849 CV     1
 ASSI { 4253}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
      3.100     1.200     1.200 peak  4253 spectrum    1 weight  0.10000E+01 volume  0.47390E-03 ppm1      2.334 ppm2      5.189 CV     1
 ASSI { 4256}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HD22))
      4.300     2.300     1.700 peak  4256 spectrum    1 weight  0.10000E+01 volume  0.58729E-03 ppm1      2.349 ppm2      7.078 CV     1
 ASSI { 4261}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name HB2 ))
      3.100     3.100     2.900 peak  4261 spectrum    1 weight  0.10000E+01 volume  0.13309E-03 ppm1      3.052 ppm2      2.339 CV     1
 ASSI { 4266}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.700     1.700     1.700 peak  4266 spectrum    1 weight  0.10000E+01 volume  0.50680E-03 ppm1      3.723 ppm2      7.265 CV     1
 ASSI { 4269}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 45   and name HA  ))
      3.600     1.600     1.600 peak  4269 spectrum    1 weight  0.10000E+01 volume  0.46884E-03 ppm1      1.547 ppm2      3.746 CV     1
 ASSI { 4277}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 44   and name HA  ))
      4.000     2.000     2.000 peak  4277 spectrum    1 weight  0.10000E+01 volume  0.79330E-03 ppm1      0.638 ppm2      5.195 CV     1
 ASSI { 4280}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HB2 ))
      2.600     0.900     0.900 peak  4280 spectrum    1 weight  0.10000E+01 volume  0.71711E-03 ppm1      4.004 ppm2      3.464 CV     1
 ASSI { 4281}
   (( segid "    " and resid 59   and name HB  ))
   (  segid "    " and resid 59   and name HG1%)
      2.700     0.900     0.900 peak  4281 spectrum    1 weight  0.10000E+01 volume  0.13634E-02 ppm1      1.874 ppm2      0.946 CV     1
 ASSI { 4283}
   (( segid "    " and resid 59   and name HB  ))
   (( segid "    " and resid 59   and name HN  ))
      3.100     1.200     1.200 peak  4283 spectrum    1 weight  0.10000E+01 volume  0.56352E-03 ppm1      1.872 ppm2      6.883 CV     1
 ASSI { 4388}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 105  and name HN  ))
      4.400     2.400     1.600 peak  4388 spectrum    1 weight  0.11000E+01 volume  0.37428E-03 ppm1      0.330 ppm2      9.344 CV     1
 ASSI { 4292}
   (( segid "    " and resid 68   and name HG  ))
   (( segid "    " and resid 68   and name HN  ))
      4.000     2.000     2.000 peak  4292 spectrum    1 weight  0.10000E+01 volume  0.46774E-03 ppm1      1.049 ppm2      8.998 CV     1
 ASSI { 4298}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
      3.200     1.300     1.300 peak  4298 spectrum    1 weight  0.10000E+01 volume  0.58778E-03 ppm1      1.646 ppm2      4.842 CV     1
 ASSI { 4301}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.800     1.800     1.700 peak  4301 spectrum    1 weight  0.10000E+01 volume  0.38109E-03 ppm1      2.099 ppm2      9.628 CV     1
 ASSI { 4303}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 9    and name HN  ))
      4.100     2.100     1.900 peak  4303 spectrum    1 weight  0.10000E+01 volume  0.49090E-03 ppm1      1.648 ppm2      9.620 CV     1
 ASSI { 4305}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      3.100     1.200     1.200 peak  4305 spectrum    1 weight  0.10000E+01 volume  0.67732E-03 ppm1      2.082 ppm2      4.825 CV     1
 ASSI { 4306}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HG2 ))
      2.900     1.000     1.000 peak  4306 spectrum    1 weight  0.10000E+01 volume  0.12556E-02 ppm1      2.082 ppm2      1.215 CV     1
 OR { 4306}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HG1 ))
 ASSI { 4307}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 75   and name HA  ))
      3.500     1.500     1.500 peak  4307 spectrum    1 weight  0.10000E+01 volume  0.11844E-02 ppm1      1.215 ppm2      4.842 CV     1
 OR { 4307}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 4309}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 74   and name HA  ))
      4.500     2.500     1.500 peak  4309 spectrum    1 weight  0.10000E+01 volume  0.64625E-03 ppm1      1.215 ppm2      4.566 CV     1
 OR { 4309}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 4310}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 77   and name HN  ))
      5.800     4.300     0.200 peak  4310 spectrum    1 weight  0.10000E+01 volume  0.73932E-04 ppm1      1.226 ppm2      8.911 CV     1
 OR { 4310}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 4312}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 75   and name HN  ))
      5.200     3.400     0.800 peak  4312 spectrum    1 weight  0.10000E+01 volume  0.35235E-03 ppm1      1.581 ppm2      8.727 CV     1
 OR { 4312}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 4314}
   (( segid "    " and resid 40   and name HD1 ))
   (( segid "    " and resid 40   and name HE1 ))
      2.300     0.700     0.700 peak  4314 spectrum    1 weight  0.11000E+01 volume  0.65819E-02 ppm1      1.618 ppm2      2.895 CV     1
 OR { 4314}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 40   and name HE2 ))
 OR { 4314}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 40   and name HE1 ))
 OR { 4314}
   (( segid "    " and resid 40   and name HD1 ))
   (( segid "    " and resid 40   and name HE2 ))
 ASSI { 4319}
   (  segid "    " and resid 84   and name HD2%)
   (  segid "    " and resid 108  and name HD% )
      3.700     1.700     1.700 peak  4319 spectrum    1 weight  0.10000E+01 volume  0.15672E-02 ppm1      0.432 ppm2      6.743 CV     1
 ASSI { 4322}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.600     1.600     1.400 peak  4322 spectrum    1 weight  0.10000E+01 volume  0.19814E-02 ppm1      4.557 ppm2      7.591 CV     1
 ASSI { 4324}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 97   and name HN  ))
      3.500     1.500     1.500 peak  4324 spectrum    1 weight  0.10000E+01 volume  0.15797E-02 ppm1      0.875 ppm2      7.076 CV     1
 ASSI { 4326}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 108  and name HN  ))
      3.200     1.300     1.300 peak  4326 spectrum    1 weight  0.10000E+01 volume  0.38406E-03 ppm1      2.412 ppm2      9.663 CV     1
 ASSI { 4330}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HB2 ))
      3.400     1.400     1.400 peak  4330 spectrum    1 weight  0.10000E+01 volume  0.60536E-03 ppm1      5.496 ppm2      2.408 CV     1
 ASSI { 4342}
   (  segid "    " and resid 138  and name HG2%)
   (( segid "    " and resid 108  and name HN  ))
      2.900     2.900     3.100 peak  4342 spectrum    1 weight  0.10000E+01 volume  0.53963E-03 ppm1      1.095 ppm2      9.664 CV     1
 ASSI { 4355}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 61   and name HG12))
      3.100     1.200     1.200 peak  4355 spectrum    1 weight  0.10000E+01 volume  0.42734E-02 ppm1      0.545 ppm2      1.614 CV     1
 ASSI { 4357}
   (  segid "    " and resid 22   and name HD2%)
   (  segid "    " and resid 84   and name HD2%)
      3.000     1.100     1.100 peak  4357 spectrum    1 weight  0.10000E+01 volume  0.52848E-02 ppm1     -0.450 ppm2      0.447 CV     1
 ASSI { 4365}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HE21))
      4.200     2.200     1.800 peak  4365 spectrum    1 weight  0.10000E+01 volume  0.58565E-03 ppm1      2.048 ppm2      7.656 CV     1
 ASSI { 4366}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HE21))
      4.600     2.700     1.400 peak  4366 spectrum    1 weight  0.10000E+01 volume  0.59452E-03 ppm1      2.122 ppm2      7.661 CV     1
 ASSI { 4367}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      4.000     2.000     2.000 peak  4367 spectrum    1 weight  0.10000E+01 volume  0.36546E-03 ppm1      2.616 ppm2      4.817 CV     1
 ASSI { 4370}
   (( segid "    " and resid 128  and name HG1 ))
   (( segid "    " and resid 129  and name HN  ))
      4.700     2.800     1.300 peak  4370 spectrum    1 weight  0.10000E+01 volume  0.54861E-03 ppm1      2.428 ppm2      6.665 CV     1
 ASSI { 4652}
   (( segid "    " and resid 128  and name HG2 ))
   (( segid "    " and resid 129  and name HN  ))
      4.700     2.800     1.300 peak  4652 spectrum    1 weight  0.10000E+01 volume  0.54861E-03 ppm1      2.369 ppm2      6.665 CV     1
 ASSI { 4377}
   (( segid "    " and resid 95   and name HG2 ))
   (( segid "    " and resid 94   and name HA  ))
      5.600     3.900     0.400 peak  4377 spectrum    1 weight  0.10000E+01 volume  0.60543E-03 ppm1      2.236 ppm2      5.160 CV     1
 ASSI { 4378}
   (( segid "    " and resid 95   and name HG1 ))
   (( segid "    " and resid 94   and name HA  ))
      5.200     3.400     0.800 peak  4378 spectrum    1 weight  0.10000E+01 volume  0.66793E-03 ppm1      2.141 ppm2      5.163 CV     1
 ASSI { 4379}
   (( segid "    " and resid 95   and name HG2 ))
   (( segid "    " and resid 95   and name HD1 ))
      3.300     1.300     1.300 peak  4379 spectrum    1 weight  0.10000E+01 volume  0.16580E-02 ppm1      2.240 ppm2      4.391 CV     1
 ASSI { 4386}
   (  segid "    " and resid 61   and name HG2%)
   (  segid "    " and resid 59   and name HG1%)
      4.800     2.900     1.200 peak  4386 spectrum    1 weight  0.10000E+01 volume  0.10415E-02 ppm1      0.539 ppm2      0.975 CV     1
 ASSI { 4387}
   (  segid "    " and resid 61   and name HG2%)
   (  segid "    " and resid 68   and name HD2%)
      3.500     1.500     1.500 peak  4387 spectrum    1 weight  0.10000E+01 volume  0.24899E-02 ppm1      0.540 ppm2      0.442 CV     1
 ASSI { 4395}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HD1 ))
      2.600     0.800     0.800 peak  4395 spectrum    1 weight  0.10000E+01 volume  0.28997E-02 ppm1      2.149 ppm2      3.946 CV     1
 OR { 4395}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HD2 ))
 OR { 4395}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HD1 ))
 OR { 4395}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HD2 ))
 ASSI { 4398}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 15   and name HB% )
      4.200     2.200     1.800 peak  4398 spectrum    1 weight  0.10000E+01 volume  0.65237E-03 ppm1      2.152 ppm2      1.542 CV     1
 OR { 4398}
   (( segid "    " and resid 14   and name HG1 ))
   (  segid "    " and resid 15   and name HB% )
 ASSI { 4404}
   (( segid "    " and resid 65   and name HG1 ))
   (( segid "    " and resid 66   and name HN  ))
      4.600     2.700     1.400 peak  4404 spectrum    1 weight  0.10000E+01 volume  0.89870E-03 ppm1      2.063 ppm2      7.591 CV     1
 ASSI { 4406}
   (( segid "    " and resid 65   and name HG2 ))
   (( segid "    " and resid 66   and name HN  ))
      3.500     1.500     1.500 peak  4406 spectrum    1 weight  0.10000E+01 volume  0.78923E-03 ppm1      1.870 ppm2      7.584 CV     1
 ASSI { 4407}
   (( segid "    " and resid 65   and name HG1 ))
   (( segid "    " and resid 65   and name HG2 ))
      1.800     0.400     0.500 peak  4407 spectrum    1 weight  0.11000E+01 volume  0.53655E-02 ppm1      2.067 ppm2      1.885 CV     1
 ASSI { 4412}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HE1 ))
      3.300     1.400     1.400 peak  4412 spectrum    1 weight  0.10000E+01 volume  0.10083E-02 ppm1      1.265 ppm2      2.735 CV     1
 OR { 4412}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HE1 ))
 OR { 4412}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HE2 ))
 OR { 4412}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HE2 ))
 ASSI { 4414}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 129  and name HN  ))
      3.000     1.100     1.100 peak  4414 spectrum    1 weight  0.10000E+01 volume  0.65986E-03 ppm1      2.247 ppm2      6.664 CV     1
 ASSI { 4415}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 129  and name HN  ))
      4.300     2.300     1.700 peak  4415 spectrum    1 weight  0.10000E+01 volume  0.80071E-03 ppm1      2.128 ppm2      6.667 CV     1
 ASSI { 4417}
   (( segid "    " and resid 128  and name HB2 ))
   (  segid "    " and resid 129  and name HG2%)
      4.800     2.900     1.200 peak  4417 spectrum    1 weight  0.10000E+01 volume  0.11326E-02 ppm1      2.132 ppm2      1.085 CV     1
 ASSI { 4419}
   (( segid "    " and resid 128  and name HB2 ))
   (  segid "    " and resid 96   and name HG2%)
      4.500     2.600     1.500 peak  4419 spectrum    1 weight  0.10000E+01 volume  0.73928E-03 ppm1      2.132 ppm2      1.249 CV     1
 ASSI { 4425}
   (( segid "    " and resid 100  and name HG1 ))
   (( segid "    " and resid 100  and name HN  ))
      2.900     1.000     1.000 peak  4425 spectrum    1 weight  0.10000E+01 volume  0.17851E-02 ppm1      2.511 ppm2      8.566 CV     1
 ASSI { 4427}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.600     1.700     1.700 peak  4427 spectrum    1 weight  0.10000E+01 volume  0.93898E-03 ppm1      1.844 ppm2      8.552 CV     1
 OR { 4427}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 4448}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 143  and name HN  ))
      4.800     2.800     1.200 peak  4448 spectrum    1 weight  0.10000E+01 volume  0.42586E-03 ppm1      1.902 ppm2      8.973 CV     1
 ASSI { 4447}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 143  and name HN  ))
      5.000     3.200     1.000 peak  4447 spectrum    1 weight  0.10000E+01 volume  0.34765E-03 ppm1      2.005 ppm2      8.979 CV     1
 ASSI { 4453}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      4.000     2.200     2.000 peak  4453 spectrum    1 weight  0.10000E+01 volume  0.82894E-03 ppm1      1.623 ppm2      7.284 CV     1
 OR { 4453}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 4467}
   (( segid "    " and resid 148  and name HA  ))
   (( segid "    " and resid 148  and name HN  ))
      2.500     0.800     0.800 peak  4467 spectrum    1 weight  0.10000E+01 volume  0.57926E-02 ppm1      4.213 ppm2      8.364 CV     1
 ASSI { 4469}
   (  segid "    " and resid 129  and name HG2%)
   (( segid "    " and resid 128  and name HB1 ))
      3.300     1.500     1.000 peak  4469 spectrum    1 weight  0.10000E+01 volume  0.25234E-02 ppm1      1.083 ppm2      2.246 CV     1
 ASSI { 4482}
   (  segid "    " and resid 67   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      3.000     1.100     1.100 peak  4482 spectrum    1 weight  0.10000E+01 volume  0.29943E-02 ppm1      1.074 ppm2      8.999 CV     1
 ASSI { 4489}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 84   and name HB1 ))
      4.900     2.900     1.100 peak  4489 spectrum    1 weight  0.10000E+01 volume  0.44610E-03 ppm1     -0.447 ppm2      1.744 CV     1
 ASSI { 4490}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 41   and name HN  ))
      4.900     3.000     1.100 peak  4490 spectrum    1 weight  0.10000E+01 volume  0.46276E-03 ppm1      0.545 ppm2      9.095 CV     1
 ASSI { 4491}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
      4.700     2.700     1.300 peak  4491 spectrum    1 weight  0.10000E+01 volume  0.59075E-03 ppm1      2.643 ppm2      0.446 CV     1
 ASSI { 4492}
   (( segid "    " and resid 20   and name HB1 ))
   (  segid "    " and resid 84   and name HD2%)
      3.400     1.400     1.400 peak  4492 spectrum    1 weight  0.10000E+01 volume  0.62228E-03 ppm1      3.002 ppm2      0.446 CV     1
 ASSI { 4493}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 141  and name HN  ))
      4.700     2.800     1.300 peak  4493 spectrum    1 weight  0.10000E+01 volume  0.72765E-03 ppm1     -0.023 ppm2      7.116 CV     1
 ASSI { 4497}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 99   and name HN  ))
      4.000     2.200     1.500 peak  4497 spectrum    1 weight  0.10000E+01 volume  0.11195E-02 ppm1      0.877 ppm2      8.242 CV     1
 ASSI { 4498}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 62   and name HN  ))
      4.900     3.100     1.100 peak  4498 spectrum    1 weight  0.10000E+01 volume  0.57230E-03 ppm1      0.865 ppm2      9.664 CV     1
 OR { 4498}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 4506}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 107  and name HA  ))
      3.900     1.900     1.900 peak  4506 spectrum    1 weight  0.10000E+01 volume  0.55131E-03 ppm1      1.261 ppm2      5.168 CV     1
 OR { 4506}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 107  and name HA  ))
 ASSI { 4508}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      2.900     2.900     3.100 peak  4508 spectrum    1 weight  0.11000E+01 volume  0.10507E-02 ppm1      1.751 ppm2      4.619 CV     1
 OR { 4508}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 4521}
   (( segid "    " and resid 139  and name HB2 ))
   (  segid "    " and resid 141  and name HB% )
      4.200     2.200     1.800 peak  4521 spectrum    1 weight  0.10000E+01 volume  0.19132E-02 ppm1      4.228 ppm2      1.189 CV     1
  ASSI { 4528}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      4.100     2.100     1.900 peak  4528 spectrum    1 weight  0.10000E+01 volume  0.69702E-03 ppm1      1.867 ppm2      3.679 CV     1
 OR { 4528}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 23   and name HB  ))
 ASSI { 4546}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 57   and name HB% )
      4.000     2.200     1.500 peak  4546 spectrum    1 weight  0.10000E+01 volume  0.85163E-03 ppm1      4.380 ppm2      1.203 CV     1
  ASSI { 4592}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 49   and name HB% )
      4.500     2.500     1.7500 peak  4592 spectrum    1 weight  0.10000E+01 volume  0.53231E-03 ppm1      3.458 ppm2      1.039 CV     1
 ASSI { 4595}
   (( segid "    " and resid 118  and name HB1 ))
   (( segid "    " and resid 136  and name HE1 ))
      3.500     1.500     1.500 peak  4595 spectrum    1 weight  0.10000E+01 volume  0.92570E-03 ppm1      4.342 ppm2      9.784 CV     1
 OR { 4595}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 136  and name HE1 ))
 ASSI { 4645}
   (( segid "    " and resid 13   and name HB1 ))
   (  segid "    " and resid 20   and name HE% )
      3.800     1.800     1.800 peak  4645 spectrum    1 weight  0.10000E+01 volume  0.65214E-03 ppm1      3.198 ppm2      6.815 CV     1
 ASSI {    1}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 16   and name HG2%)
      3.700     1.800     1.800 peak     1 spectrum    1 weight  0.11000E+01 volume  0.28712E-02 ppm1      6.745 ppm2      1.116 CV     1
 ASSI {  575}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 138  and name HN  ))
      4.300     4.300     1.700 peak   575 spectrum    1 weight  0.11000E+01 volume  0.53826E-03 ppm1      9.790 ppm2      9.096 CV     1
 ASSI {  580}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      2.600     2.600     3.400 peak   580 spectrum    1 weight  0.11000E+01 volume  0.16621E-02 ppm1      9.789 ppm2      4.889 CV     1
 ASSI {  590}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      4.200     2.200     1.800 peak   590 spectrum    1 weight  0.10000E+01 volume  0.70117E-03 ppm1      9.772 ppm2      0.879 CV     1
 ASSI {  592}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      4.000     2.200     1.600 peak   592 spectrum    1 weight  0.10000E+01 volume  0.47280E-03 ppm1      8.392 ppm2      2.003 CV     1
 ASSI {  835}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.700     1.700     1.700 peak   835 spectrum    1 weight  0.10000E+01 volume  0.10428E-02 ppm1      6.833 ppm2      4.353 CV     1
 ASSI {  841}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      4.000     2.000     2.000 peak   841 spectrum    1 weight  0.11000E+01 volume  0.22113E-02 ppm1      6.831 ppm2      2.499 CV     1
 ASSI {  842}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG1 ))
      2.900     1.100     1.100 peak   842 spectrum    1 weight  0.10000E+01 volume  0.29707E-02 ppm1      6.831 ppm2      2.374 CV     1
 OR {  842}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  843}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
      3.400     1.400     1.400 peak   843 spectrum    1 weight  0.10000E+01 volume  0.26382E-02 ppm1      6.828 ppm2      2.322 CV     1
 OR {  843}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  844}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      4.700     2.800     1.300 peak   844 spectrum    1 weight  0.10000E+01 volume  0.93875E-03 ppm1      6.828 ppm2      0.857 CV     1
 OR {  844}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI {  848}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      4.000     2.000     2.000 peak   848 spectrum    1 weight  0.11000E+01 volume  0.44659E-03 ppm1      6.826 ppm2      8.415 CV     1
 ASSI {  851}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HA1 ))
      5.300     3.500     0.700 peak   851 spectrum    1 weight  0.10000E+01 volume  0.83822E-03 ppm1      6.741 ppm2      4.178 CV     1
 ASSI {  853}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HA2 ))
      5.000     3.100     1.000 peak   853 spectrum    1 weight  0.10000E+01 volume  0.80866E-03 ppm1      6.750 ppm2      3.508 CV     1
 ASSI {  855}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.400     0.500     0.500 peak   855 spectrum    1 weight  0.11000E+01 volume  0.40859E-02 ppm1      6.744 ppm2      8.742 CV     1
 ASSI {  856}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.000     2.200     1.500 peak   856 spectrum    1 weight  0.11000E+01 volume  0.86659E-03 ppm1      6.743 ppm2      7.870 CV     1
 ASSI {  857}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.600     0.600 peak   857 spectrum    1 weight  0.11000E+01 volume  0.36084E-02 ppm1      6.745 ppm2      7.763 CV     1
 ASSI {  858}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      3.100     1.200     1.200 peak   858 spectrum    1 weight  0.11000E+01 volume  0.13498E-02 ppm1      8.522 ppm2      4.226 CV     1
 ASSI {  862}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      4.500     2.600     1.500 peak   862 spectrum    1 weight  0.10000E+01 volume  0.10959E-02 ppm1      8.531 ppm2      2.117 CV     1
 ASSI {  866}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      3.000     1.200     1.300 peak   866 spectrum    1 weight  0.11000E+01 volume  0.10139E-02 ppm1      8.529 ppm2      9.237 CV     1
 ASSI {  874}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA1 ))
      2.700     0.900     0.900 peak   874 spectrum    1 weight  0.11000E+01 volume  0.25512E-02 ppm1      7.364 ppm2      4.578 CV     1
 ASSI {  877}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.500     1.500     1.500 peak   877 spectrum    1 weight  0.10000E+01 volume  0.12223E-02 ppm1      7.365 ppm2      3.941 CV     1
 ASSI {  879}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA2 ))
      2.200     0.600     0.600 peak   879 spectrum    1 weight  0.11000E+01 volume  0.32683E-02 ppm1      7.364 ppm2      3.583 CV     1
 ASSI {  884}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
      3.800     1.800     1.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.13790E-02 ppm1      7.364 ppm2      1.627 CV     1
 ASSI {  885}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      3.500     1.500     1.100 peak   885 spectrum    1 weight  0.11000E+01 volume  0.18071E-02 ppm1      7.365 ppm2      1.460 CV     1
 ASSI {  886}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.400     1.400     1.400 peak   886 spectrum    1 weight  0.10000E+01 volume  0.22181E-02 ppm1      7.364 ppm2      1.369 CV     1
 ASSI {  887}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      4.100     2.100     1.900 peak   887 spectrum    1 weight  0.11000E+01 volume  0.12481E-02 ppm1      7.361 ppm2      9.203 CV     1
 ASSI {  888}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     1.000     0.900 peak   888 spectrum    1 weight  0.11000E+01 volume  0.37993E-02 ppm1      7.364 ppm2      8.217 CV     1
 ASSI {  891}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA2 ))
      2.800     0.900     0.900 peak   891 spectrum    1 weight  0.11000E+01 volume  0.61228E-02 ppm1      8.423 ppm2      3.626 CV     1
 ASSI {  892}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.500     1.500     1.500 peak   892 spectrum    1 weight  0.10000E+01 volume  0.11933E-02 ppm1      8.421 ppm2      2.894 CV     1
 ASSI {  893}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.900     1.100     1.100 peak   893 spectrum    1 weight  0.10000E+01 volume  0.11305E-02 ppm1      8.424 ppm2      2.796 CV     1
 ASSI {  897}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.900     1.000     1.000 peak   897 spectrum    1 weight  0.11000E+01 volume  0.62704E-02 ppm1      8.423 ppm2      4.362 CV     1
 ASSI {  898}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.600     0.800     0.800 peak   898 spectrum    1 weight  0.11000E+01 volume  0.32530E-02 ppm1      8.423 ppm2      7.564 CV     1
 ASSI {  906}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HB2 ))
      2.900     1.100     1.100 peak   906 spectrum    1 weight  0.10000E+01 volume  0.26811E-02 ppm1      7.094 ppm2      2.016 CV     1
 ASSI {  908}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 134  and name HA  ))
      4.300     2.300     1.700 peak   908 spectrum    1 weight  0.11000E+01 volume  0.74796E-03 ppm1      6.538 ppm2      5.246 CV     1
 ASSI {  909}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      2.600     0.800     0.800 peak   909 spectrum    1 weight  0.11000E+01 volume  0.28933E-02 ppm1      6.536 ppm2      4.219 CV     1
 ASSI {  910}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 122  and name HA  ))
      4.600     2.600     1.400 peak   910 spectrum    1 weight  0.11000E+01 volume  0.77477E-03 ppm1      6.537 ppm2      4.023 CV     1
 ASSI {  911}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
      3.400     1.400     1.400 peak   911 spectrum    1 weight  0.10000E+01 volume  0.13494E-02 ppm1      6.539 ppm2      3.679 CV     1
 OR {  911}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 OR {  911}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
 OR {  911}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
 ASSI {  912}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      4.400     2.400     1.600 peak   912 spectrum    1 weight  0.10000E+01 volume  0.10704E-02 ppm1      6.537 ppm2      2.708 CV     1
 ASSI {  916}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HB2 ))
      2.400     0.700     0.700 peak   916 spectrum    1 weight  0.10000E+01 volume  0.21046E-02 ppm1      6.540 ppm2      1.165 CV     1
 ASSI {  917}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 123  and name HD1%)
      3.900     1.900     1.900 peak   917 spectrum    1 weight  0.10000E+01 volume  0.39996E-02 ppm1      6.538 ppm2      0.693 CV     1
 OR {  917}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 123  and name HD2%)
 ASSI {  919}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 133  and name HN  ))
      3.100     1.200     1.200 peak   919 spectrum    1 weight  0.11000E+01 volume  0.10042E-02 ppm1      6.532 ppm2      8.801 CV     1
 ASSI {  920}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      2.400     0.700     0.700 peak   920 spectrum    1 weight  0.11000E+01 volume  0.31073E-02 ppm1      6.537 ppm2      8.546 CV     1
 ASSI {  921}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 133  and name HD% )
      4.100     2.100     1.900 peak   921 spectrum    1 weight  0.10000E+01 volume  0.86108E-03 ppm1      6.536 ppm2      6.930 CV     1
 ASSI {  927}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      2.700     0.900     0.900 peak   927 spectrum    1 weight  0.10000E+01 volume  0.10510E-01 ppm1      8.583 ppm2      4.397 CV     1
 ASSI {  929}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HA1 ))
      2.500     0.800     0.800 peak   929 spectrum    1 weight  0.10000E+01 volume  0.76203E-02 ppm1      8.582 ppm2      4.211 CV     1
 ASSI {  930}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HA2 ))
      2.200     0.600     0.600 peak   930 spectrum    1 weight  0.10000E+01 volume  0.79843E-02 ppm1      8.582 ppm2      4.029 CV     1
 ASSI {  931}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 111  and name HD2 ))
      5.100     3.200     0.900 peak   931 spectrum    1 weight  0.10000E+01 volume  0.55694E-03 ppm1      8.582 ppm2      1.665 CV     1
 OR {  931}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 111  and name HD1 ))
  ASSI {  932}
   (( segid "    " and resid 115  and name HN  ))
   (  segid "    " and resid 114  and name HB% )
      3.100     1.300     1.500 peak   932 spectrum    1 weight  0.10000E+01 volume  0.49280E-02 ppm1      8.583 ppm2      1.567 CV     1
 ASSI {  936}
   (( segid "    " and resid 44   and name HD21))
   (  segid "    " and resid 47   and name HB% )
      3.300     1.500     1.000 peak   936 spectrum    1 weight  0.10000E+01 volume  0.15742E-02 ppm1      7.076 ppm2      1.261 CV     1
 ASSI {  937}
   (( segid "    " and resid 44   and name HD22))
   (  segid "    " and resid 47   and name HB% )
      3.300     1.500     1.000 peak   937 spectrum    1 weight  0.10000E+01 volume  0.15742E-02 ppm1      7.076 ppm2      1.261 CV     1
 ASSI {  942}
   (( segid "    " and resid 44   and name HD22))
   (( segid "    " and resid 44   and name HB1 ))
      4.100     2.100     1.900 peak   942 spectrum    1 weight  0.10000E+01 volume  0.96598E-03 ppm1      7.073 ppm2      3.052 CV     1
 ASSI {  944}
   (( segid "    " and resid 44   and name HD21))
   (( segid "    " and resid 44   and name HB2 ))
      3.200     3.200     2.800 peak   944 spectrum    1 weight  0.11000E+01 volume  0.64845E-03 ppm1      7.068 ppm2      2.345 CV     1
 ASSI {  947}
   (( segid "    " and resid 44   and name HD22))
   (( segid "    " and resid 27   and name HN  ))
      3.100     1.200     1.200 peak   947 spectrum    1 weight  0.10000E+01 volume  0.86298E-03 ppm1      7.079 ppm2      8.228 CV     1
 ASSI {  950}
   (( segid "    " and resid 44   and name HD21))
   (( segid "    " and resid 27   and name HN  ))
      4.200     2.200     1.800 peak   950 spectrum    1 weight  0.10000E+01 volume  0.97781E-03 ppm1      7.598 ppm2      8.220 CV     1
 ASSI {  951}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     1.000     0.500 peak   951 spectrum    1 weight  0.11000E+01 volume  0.25987E-02 ppm1      8.214 ppm2      7.363 CV     1
 ASSI {  952}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.900     1.000     1.000 peak   952 spectrum    1 weight  0.11000E+01 volume  0.12050E-02 ppm1      8.211 ppm2      9.202 CV     1
 ASSI {  953}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HG1 ))
      3.500     1.600     1.600 peak   953 spectrum    1 weight  0.10000E+01 volume  0.11161E-02 ppm1      8.214 ppm2      2.308 CV     1
 OR {  953}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI {  954}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.700     0.900     0.900 peak   954 spectrum    1 weight  0.10000E+01 volume  0.35863E-02 ppm1      8.217 ppm2      2.056 CV     1
 OR {  954}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI {  955}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      4.400     2.500     1.600 peak   955 spectrum    1 weight  0.10000E+01 volume  0.12546E-02 ppm1      8.218 ppm2      1.906 CV     1
 ASSI {  957}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      4.300     2.400     1.700 peak   957 spectrum    1 weight  0.10000E+01 volume  0.89592E-03 ppm1      8.215 ppm2      1.444 CV     1
 ASSI {  958}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.500     1.500     1.500 peak   958 spectrum    1 weight  0.10000E+01 volume  0.93449E-03 ppm1      8.214 ppm2      1.369 CV     1
 ASSI {  961}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.500     0.800     0.800 peak   961 spectrum    1 weight  0.10000E+01 volume  0.34218E-02 ppm1      8.214 ppm2      4.430 CV     1
 ASSI {  962}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.300     1.500     1.100 peak   962 spectrum    1 weight  0.10000E+01 volume  0.20962E-02 ppm1      8.213 ppm2      4.015 CV     1
 OR {  962}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  963}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.000     1.100     1.100 peak   963 spectrum    1 weight  0.10000E+01 volume  0.28327E-02 ppm1      8.214 ppm2      3.932 CV     1
 ASSI {  964}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.800     1.000     1.000 peak   964 spectrum    1 weight  0.10000E+01 volume  0.23813E-02 ppm1      8.215 ppm2      3.868 CV     1
 ASSI {  971}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 16   and name HG2%)
      4.100     2.200     1.900 peak   971 spectrum    1 weight  0.11000E+01 volume  0.16117E-02 ppm1      8.736 ppm2      1.114 CV     1
 ASSI {  972}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      3.600     1.600     1.600 peak   972 spectrum    1 weight  0.10000E+01 volume  0.16746E-02 ppm1      8.736 ppm2      0.860 CV     1
 ASSI {  974}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      4.400     2.400     1.600 peak   974 spectrum    1 weight  0.10000E+01 volume  0.50376E-03 ppm1      8.745 ppm2      4.377 CV     1
 OR {  974}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB  ))
 ASSI {  975}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.900     1.100     1.100 peak   975 spectrum    1 weight  0.11000E+01 volume  0.22767E-02 ppm1      8.740 ppm2      4.283 CV     1
 ASSI {  976}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA1 ))
      2.900     1.100     1.100 peak   976 spectrum    1 weight  0.11000E+01 volume  0.37103E-02 ppm1      8.736 ppm2      4.183 CV     1
 ASSI {  979}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA2 ))
      2.400     0.700     0.700 peak   979 spectrum    1 weight  0.11000E+01 volume  0.37926E-02 ppm1      8.738 ppm2      3.505 CV     1
 ASSI {  980}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      3.500     1.500     1.500 peak   980 spectrum    1 weight  0.11000E+01 volume  0.44450E-03 ppm1      8.740 ppm2      3.192 CV     1
 ASSI {  982}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.600     0.800     0.800 peak   982 spectrum    1 weight  0.11000E+01 volume  0.21919E-02 ppm1      8.737 ppm2      7.872 CV     1
 ASSI {  983}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.500     1.500     1.400 peak   983 spectrum    1 weight  0.11000E+01 volume  0.20308E-02 ppm1      8.736 ppm2      7.765 CV     1
 ASSI {  988}
   (( segid "    " and resid 119  and name HE21))
   (( segid "    " and resid 119  and name HG1 ))
      2.800     1.000     1.000 peak   988 spectrum    1 weight  0.11000E+01 volume  0.35170E-02 ppm1      6.833 ppm2      2.440 CV     1
 OR {  988}
   (( segid "    " and resid 119  and name HE21))
   (( segid "    " and resid 119  and name HG2 ))
 ASSI {  989}
   (( segid "    " and resid 82   and name HE22))
   (( segid "    " and resid 82   and name HG1 ))
      4.100     2.100     1.900 peak   989 spectrum    1 weight  0.10000E+01 volume  0.15549E-02 ppm1      6.888 ppm2      2.378 CV     1
 OR {  989}
   (( segid "    " and resid 82   and name HE22))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  990}
   (( segid "    " and resid 82   and name HE22))
   (( segid "    " and resid 82   and name HG2 ))
      4.100     2.100     1.900 peak   990 spectrum    1 weight  0.10000E+01 volume  0.15333E-02 ppm1      6.881 ppm2      2.301 CV     1
 ASSI {  991}
   (( segid "    " and resid 119  and name HE21))
   (  segid "    " and resid 33   and name HG2%)
      4.500     2.500     1.500 peak   991 spectrum    1 weight  0.10000E+01 volume  0.49589E-03 ppm1      6.836 ppm2      0.961 CV     1
 ASSI {  992}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.900     1.100     1.100 peak   992 spectrum    1 weight  0.11000E+01 volume  0.17280E-02 ppm1      7.349 ppm2      5.361 CV     1
 ASSI {  994}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      4.000     2.200     2.000 peak   994 spectrum    1 weight  0.11000E+01 volume  0.13886E-02 ppm1      7.347 ppm2      4.565 CV     1
 ASSI {  996}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      5.200     3.300     0.800 peak   996 spectrum    1 weight  0.10000E+01 volume  0.41943E-03 ppm1      7.352 ppm2      3.772 CV     1
 ASSI {  997}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     0.900 peak   997 spectrum    1 weight  0.11000E+01 volume  0.27816E-02 ppm1      7.350 ppm2      3.665 CV     1
 ASSI { 1001}
   (( segid "    " and resid 82   and name HE21))
   (( segid "    " and resid 82   and name HB1 ))
      4.100     2.100     1.900 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.10651E-02 ppm1      7.621 ppm2      2.509 CV     1
 ASSI { 1002}
   (( segid "    " and resid 119  and name HE22))
   (( segid "    " and resid 119  and name HG1 ))
      3.500     1.500     1.500 peak  1002 spectrum    1 weight  0.11000E+01 volume  0.42624E-02 ppm1      7.571 ppm2      2.433 CV     1
 OR { 1002}
   (( segid "    " and resid 119  and name HE22))
   (( segid "    " and resid 119  and name HG2 ))
 ASSI { 1003}
   (( segid "    " and resid 82   and name HE21))
   (( segid "    " and resid 82   and name HG2 ))
      3.000     1.100     1.100 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.20833E-02 ppm1      7.624 ppm2      2.300 CV     1
 ASSI { 1005}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.100     1.200     1.200 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.14022E-02 ppm1      7.343 ppm2      1.788 CV     1
 ASSI { 1006}
   (( segid "    " and resid 119  and name HE22))
   (( segid "    " and resid 119  and name HB2 ))
      5.500     3.800     0.500 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.24010E-03 ppm1      7.570 ppm2      1.734 CV     1
 ASSI { 1013}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      3.800     1.800     1.700 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.16621E-02 ppm1      7.349 ppm2      0.512 CV     1
 OR { 1013}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1014}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak  1014 spectrum    1 weight  0.11000E+01 volume  0.24280E-02 ppm1      7.351 ppm2      9.633 CV     1
 ASSI { 1015}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      4.500     2.500     1.4500 peak  1015 spectrum    1 weight  0.11000E+01 volume  0.91813E-03 ppm1      7.352 ppm2      8.868 CV    1
 ASSI { 1024}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.800     1.000     1.100 peak  1024 spectrum    1 weight  0.11000E+01 volume  0.75431E-03 ppm1      8.153 ppm2      4.899 CV     1
 ASSI { 1027}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.000     1.100     1.100 peak  1027 spectrum    1 weight  0.11000E+01 volume  0.22975E-02 ppm1      8.151 ppm2      3.961 CV     1
 OR { 1027}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 1028}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      4.000     2.000     2.000 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.14088E-02 ppm1      8.155 ppm2      3.048 CV     1
 ASSI { 1031}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 38   and name HB1 ))
      3.100     1.200     1.200 peak  1031 spectrum    1 weight  0.11000E+01 volume  0.18773E-02 ppm1      6.827 ppm2      3.138 CV     1
 ASSI { 1034}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 38   and name HB2 ))
      2.300     0.700     0.700 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.35506E-02 ppm1      6.828 ppm2      2.844 CV     1
 ASSI { 1037}
   (( segid "    " and resid 4    and name HD22))
   (  segid "    " and resid 5    and name HG1%)
      5.000     3.100     1.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.50635E-03 ppm1      6.936 ppm2      0.930 CV     1
 OR { 1037}
   (( segid "    " and resid 4    and name HD21))
   (  segid "    " and resid 5    and name HG1%)
 ASSI { 1041}
   (( segid "    " and resid 6    and name HE22))
   (( segid "    " and resid 6    and name HG1 ))
      4.100     2.100     1.900 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.10620E-02 ppm1      6.845 ppm2      2.373 CV     1
 ASSI { 1043}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 6    and name HG1 ))
      2.600     0.800     0.800 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.28108E-02 ppm1      7.676 ppm2      2.409 CV     1
 OR { 1043}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI { 1050}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.900     1.900     1.900 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.14548E-02 ppm1      8.147 ppm2      2.191 CV     1
 ASSI { 1053}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      4.300     2.300     1.700 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.95221E-03 ppm1      6.896 ppm2      4.517 CV     1
 ASSI { 1054}
   (( segid "    " and resid 55   and name HD21))
   (( segid "    " and resid 55   and name HA  ))
      4.000     2.000     2.000 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.47767E-03 ppm1      6.995 ppm2      4.355 CV     1
 ASSI { 1055}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.800     1.800     1.800 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.56911E-03 ppm1      6.897 ppm2      4.279 CV     1
 ASSI { 1058}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HB% )
      2.900     1.100     1.100 peak  1058 spectrum    1 weight  0.11000E+01 volume  0.18109E-02 ppm1      6.903 ppm2      0.274 CV     1
 ASSI { 1059}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.800     1.800     2.200 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.17767E-02 ppm1      9.106 ppm2      4.792 CV     1
 ASSI { 1063}
   (( segid "    " and resid 55   and name HD22))
   (( segid "    " and resid 55   and name HA  ))
      4.800     2.800     1.200 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.64735E-03 ppm1      7.785 ppm2      4.358 CV     1
 ASSI { 1068}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.500     1.600     1.600 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.11325E-02 ppm1      9.103 ppm2      3.471 CV     1
 ASSI { 1069}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.500     1.500     1.500 peak  1069 spectrum    1 weight  0.11000E+01 volume  0.25257E-02 ppm1      8.405 ppm2      2.890 CV     1
 ASSI { 1070}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.500     0.800     0.800 peak  1070 spectrum    1 weight  0.11000E+01 volume  0.27256E-02 ppm1      8.405 ppm2      2.799 CV     1
 ASSI { 1074}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.200     0.600     0.600 peak  1074 spectrum    1 weight  0.11000E+01 volume  0.24826E-02 ppm1      6.896 ppm2      9.656 CV     1
 ASSI { 1075}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HD22))
      4.600     2.600     1.400 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.60985E-03 ppm1      8.404 ppm2      7.814 CV     1
 ASSI { 1077}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HD21))
      3.900     1.900     1.900 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.44366E-03 ppm1      8.404 ppm2      7.006 CV     1
 ASSI { 1079}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      4.300     2.300     1.700 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.64484E-03 ppm1      8.714 ppm2      5.257 CV     1
 ASSI { 1080}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.200     0.600     0.600 peak  1080 spectrum    1 weight  0.11000E+01 volume  0.50703E-02 ppm1      8.710 ppm2      5.038 CV     1
 ASSI { 1081}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.800     1.000     1.000 peak  1081 spectrum    1 weight  0.11000E+01 volume  0.25729E-02 ppm1      8.325 ppm2      4.899 CV     1
 ASSI { 1082}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.300     1.400     1.400 peak  1082 spectrum    1 weight  0.11000E+01 volume  0.78071E-03 ppm1      8.715 ppm2      4.776 CV     1
 ASSI { 1085}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      3.600     1.600     1.600 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.46211E-02 ppm1      8.326 ppm2      0.963 CV     1
 ASSI { 1086}
   (( segid "    " and resid 55   and name HD22))
   (( segid "    " and resid 55   and name HB1 ))
      3.700     1.700     1.700 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.30203E-02 ppm1      7.794 ppm2      2.891 CV     1
 ASSI { 1087}
   (( segid "    " and resid 55   and name HD22))
   (( segid "    " and resid 55   and name HB2 ))
      3.400     1.400     1.400 peak  1087 spectrum    1 weight  0.11000E+01 volume  0.41867E-02 ppm1      7.796 ppm2      2.802 CV     1
 ASSI { 1089}
   (( segid "    " and resid 55   and name HD21))
   (( segid "    " and resid 55   and name HB1 ))
      3.100     1.200     1.200 peak  1089 spectrum    1 weight  0.11000E+01 volume  0.19067E-02 ppm1      7.000 ppm2      2.889 CV     1
 ASSI { 1090}
   (( segid "    " and resid 55   and name HD21))
   (( segid "    " and resid 55   and name HB2 ))
      2.800     1.000     1.000 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.28053E-02 ppm1      7.003 ppm2      2.799 CV     1
 ASSI { 1091}
   (( segid "    " and resid 55   and name HD21))
   (  segid "    " and resid 54   and name HB% )
      3.900     1.900     1.900 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.14850E-02 ppm1      7.003 ppm2      1.435 CV     1
 ASSI { 3050}
   (( segid "    " and resid 55   and name HD21))
   (  segid "    " and resid 48   and name HB1 )
      4.200     2.200     1.800 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.14850E-02 ppm1      7.003 ppm2      1.435 CV     1
 ASSI { 1096}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 86   and name HD2%)
      4.000     2.200     1.800 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.14152E-02 ppm1      8.709 ppm2      0.687 CV     1
 ASSI { 1102}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      1.900     0.400     0.400 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.49615E-02 ppm1      8.326 ppm2      2.212 CV     1
 ASSI { 1103}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      4.000     2.000     2.000 peak  1103 spectrum    1 weight  0.11000E+01 volume  0.66177E-03 ppm1      8.319 ppm2      3.537 CV     1
 ASSI { 1104}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      3.400     1.400     1.400 peak  1104 spectrum    1 weight  0.11000E+01 volume  0.27906E-02 ppm1      8.321 ppm2      3.142 CV     1
 ASSI { 1106}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.300     1.000 peak  1106 spectrum    1 weight  0.11000E+01 volume  0.11585E-02 ppm1      8.323 ppm2      4.793 CV     1
 ASSI { 1111}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      5.000     3.100     1.000 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.61034E-03 ppm1      8.592 ppm2      4.789 CV     1
 ASSI { 1112}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.200     1.300     1.300 peak  1112 spectrum    1 weight  0.11000E+01 volume  0.12512E-02 ppm1      8.590 ppm2      4.373 CV     1
 ASSI { 1113}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.600     0.800     0.800 peak  1113 spectrum    1 weight  0.11000E+01 volume  0.32564E-02 ppm1      8.589 ppm2      4.239 CV     1
 ASSI { 1114}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.600     0.900     0.900 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.24213E-02 ppm1      8.589 ppm2      4.008 CV     1
 OR { 1114}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 1115}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      3.200     3.200     2.800 peak  1115 spectrum    1 weight  0.11000E+01 volume  0.23978E-02 ppm1      8.588 ppm2      3.827 CV     1
 ASSI { 1116}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.300     1.400     1.400 peak  1116 spectrum    1 weight  0.11000E+01 volume  0.12238E-02 ppm1      8.587 ppm2      3.641 CV     1
 ASSI { 1118}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      3.900     1.900     1.900 peak  1118 spectrum    1 weight  0.11000E+01 volume  0.24638E-02 ppm1      8.588 ppm2      1.280 CV     1
 ASSI { 1121}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
      5.000     3.200     1.000 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.26619E-03 ppm1      8.595 ppm2      0.690 CV     1
 ASSI { 1120}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 140  and name HD1%)
      5.000     3.200     1.000 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.26619E-03 ppm1      8.595 ppm2      0.690 CV     1
 ASSI { 3043}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 140  and name HD2%)
      4.500     2.500     1.500 peak  3043 spectrum    1 weight  0.10000E+01 volume  0.26619E-03 ppm1      8.595 ppm2      0.938 CV     1
 OR { 3043}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 140  and name HD1%)
 ASSI { 1122}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.000     1.200     1.200 peak  1122 spectrum    1 weight  0.11000E+01 volume  0.27603E-02 ppm1      7.272 ppm2      4.301 CV     1
 OR { 1122}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
 OR { 1122}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 1126}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     0.700     0.700 peak  1126 spectrum    1 weight  0.11000E+01 volume  0.24487E-02 ppm1      8.589 ppm2      7.917 CV     1
 ASSI { 1127}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      4.200     2.200     1.800 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.76834E-03 ppm1      8.584 ppm2      7.584 CV     1
 ASSI { 1130}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.600     0.900     0.900 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.22204E-02 ppm1      7.273 ppm2      8.288 CV     1
 ASSI { 1131}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.800     1.000     1.000 peak  1131 spectrum    1 weight  0.11000E+01 volume  0.12596E-02 ppm1      8.588 ppm2      8.864 CV     1
 ASSI { 1136}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HB  ))
      2.600     0.900     0.900 peak  1136 spectrum    1 weight  0.11000E+01 volume  0.27430E-02 ppm1      8.730 ppm2      1.994 CV     1
 ASSI { 1137}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HB1 ))
      4.000     2.000     2.000 peak  1137 spectrum    1 weight  0.11000E+01 volume  0.81490E-03 ppm1      8.734 ppm2      1.587 CV     1
 ASSI { 1138}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HB2 ))
      3.000     1.100     1.100 peak  1138 spectrum    1 weight  0.11000E+01 volume  0.10979E-02 ppm1      8.730 ppm2      1.436 CV     1
 ASSI { 1148}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 72   and name HG2 ))
      4.500     2.200     1.500 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.10512E-02 ppm1      9.234 ppm2      1.690 CV     1
 OR { 1148}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 101  and name HD% ))
 ASSI { 1149}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HG1 ))
      4.600     2.600     1.400 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.10606E-02 ppm1      9.233 ppm2      2.293 CV     1
 ASSI { 1150}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
      3.500     1.500     1.200 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.13656E-02 ppm1      9.232 ppm2      2.208 CV     1
 OR { 1150}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HG2 ))
 ASSI { 1151}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      2.400     0.700     0.700 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.34305E-02 ppm1      9.231 ppm2      2.127 CV     1
 ASSI { 1152}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.000     1.100     1.100 peak  1152 spectrum    1 weight  0.11000E+01 volume  0.12471E-02 ppm1      9.232 ppm2      5.155 CV     1
 ASSI { 1153}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      2.500     0.800     0.800 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.26666E-02 ppm1      9.229 ppm2      4.225 CV     1
 ASSI { 1160}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 58   and name HB% )
      4.400     2.500     1.600 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.73377E-03 ppm1      6.930 ppm2      0.278 CV     1
 ASSI { 1164}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      4.000     2.200     2.000 peak  1164 spectrum    1 weight  0.11000E+01 volume  0.91083E-03 ppm1      8.461 ppm2      7.273 CV     1
 ASSI { 1166}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.000     1.000 peak  1166 spectrum    1 weight  0.11000E+01 volume  0.19027E-02 ppm1      8.863 ppm2      8.196 CV     1
  ASSI { 1167}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 121  and name HN  ))
      3.000     1.100     1.100 peak  1167 spectrum    1 weight  0.11000E+01 volume  0.96304E-03 ppm1      9.092 ppm2      8.741 CV     1
 ASSI { 1168}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      4.300     2.300     1.700 peak  1168 spectrum    1 weight  0.11000E+01 volume  0.68870E-03 ppm1      9.080 ppm2      8.548 CV     1
 ASSI { 1170}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      4.100     2.100     1.900 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.59866E-03 ppm1      8.154 ppm2      4.732 CV     1
 ASSI { 1172}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 129  and name HA  ))
      5.200     3.400     0.600 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.29255E-03 ppm1      8.157 ppm2      4.448 CV     1
 ASSI { 1174}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.400     0.600     0.500 peak  1174 spectrum    1 weight  0.11000E+01 volume  0.74590E-02 ppm1      8.462 ppm2      4.224 CV     1
 ASSI { 1175}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.700     0.900     0.900 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.21314E-02 ppm1      8.462 ppm2      3.790 CV     1
 ASSI { 1176}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      4.100     2.100     1.900 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.62890E-03 ppm1      8.869 ppm2      5.040 CV     1
 ASSI { 1178}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak  1178 spectrum    1 weight  0.11000E+01 volume  0.11494E-02 ppm1      8.866 ppm2      4.361 CV     1
 ASSI { 1180}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      4.200     4.200     1.800 peak  1180 spectrum    1 weight  0.11000E+01 volume  0.14872E-02 ppm1      8.865 ppm2      4.066 CV     1
 OR { 1180}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 1181}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      4.600     2.700     1.400 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.39920E-03 ppm1      8.869 ppm2      3.739 CV     1
 ASSI { 1182}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.800     1.000     1.000 peak  1182 spectrum    1 weight  0.11000E+01 volume  0.21128E-02 ppm1      8.867 ppm2      3.640 CV     1
 ASSI { 1183}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 134  and name HD% )
      4.200     2.200     1.800 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.83947E-03 ppm1      9.080 ppm2      6.621 CV     1
 ASSI { 1187}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
      5.200     3.400     0.800 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.25463E-03 ppm1      8.864 ppm2      0.943 CV     1
 ASSI { 1188}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HG2 ))
      2.500     0.800     0.800 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.43465E-02 ppm1      8.462 ppm2      2.140 CV     1
 OR { 1188}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HG1 ))
 ASSI { 1189}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.000     1.100     1.100 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.35362E-02 ppm1      8.462 ppm2      1.948 CV     1
 ASSI { 1190}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.800     1.000     1.000 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.42518E-02 ppm1      8.462 ppm2      1.802 CV     1
 ASSI { 1192}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      5.100     3.200     0.900 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.51818E-03 ppm1      8.459 ppm2      1.496 CV     1
 ASSI { 1196}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 73   and name HD2%)
      3.300     1.400     1.400 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.17775E-02 ppm1      8.461 ppm2      0.840 CV     1
 ASSI { 1197}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
      3.200     1.200     1.200 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.28596E-02 ppm1      8.462 ppm2      0.642 CV     1
 ASSI { 1200}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HA  ))
      2.500     0.800     0.800 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.46827E-02 ppm1      8.167 ppm2      4.016 CV     1
 ASSI { 1204}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
      2.200     0.600     0.600 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.60471E-02 ppm1      8.167 ppm2      2.259 CV     1
 ASSI { 1206}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 96   and name HG2%)
      4.700     2.800     1.300 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.83613E-03 ppm1      8.172 ppm2      1.260 CV     1
 ASSI { 1207}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 129  and name HG2%)
      4.700     2.800     1.300 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.83613E-03 ppm1      8.172 ppm2      1.087 CV     1
 ASSI { 1208}
   (( segid "    " and resid 130  and name HN  ))
   (  segid "    " and resid 129  and name HG2%)
      4.100     2.100     1.900 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.85347E-03 ppm1      7.757 ppm2      1.085 CV     1
 ASSI { 1210}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 121  and name HB  ))
      3.200     1.300     1.300 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.92243E-03 ppm1      9.094 ppm2      1.992 CV     1
 ASSI { 1214}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 121  and name HG2%)
      3.600     1.600     1.600 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.20565E-02 ppm1      9.090 ppm2      0.896 CV     1
 OR { 1214}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 121  and name HG1%)
 ASSI { 1215}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 123  and name HD1%)
      3.100     1.200     1.200 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.23041E-02 ppm1      9.092 ppm2      0.692 CV     1
 OR { 1215}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 123  and name HD2%)
 ASSI { 1216}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      3.000     1.100     1.100 peak  1216 spectrum    1 weight  0.11000E+01 volume  0.92030E-03 ppm1      9.093 ppm2      5.386 CV     1
 ASSI { 1218}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      4.500     2.500     1.500 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.46268E-03 ppm1      9.093 ppm2      4.232 CV     1
 ASSI { 1223}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      2.600     0.800     0.800 peak  1223 spectrum    1 weight  0.11000E+01 volume  0.30100E-02 ppm1      8.167 ppm2      6.670 CV     1
 ASSI { 1224}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      2.800     1.000     0.700 peak  1224 spectrum    1 weight  0.11000E+01 volume  0.23694E-02 ppm1      7.760 ppm2      6.669 CV     1
 ASSI { 1226}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      3.500     1.500     1.500 peak  1226 spectrum    1 weight  0.11000E+01 volume  0.11557E-02 ppm1      7.757 ppm2      8.171 CV     1
 ASSI { 1227}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HN  ))
      2.500     0.800     0.800 peak  1227 spectrum    1 weight  0.11000E+01 volume  0.22601E-02 ppm1      8.165 ppm2      8.857 CV     1
 ASSI { 1228}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 136  and name HN  ))
      4.200     2.200     1.800 peak  1228 spectrum    1 weight  0.11000E+01 volume  0.61578E-03 ppm1      9.091 ppm2      8.835 CV     1
 ASSI { 1230}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.100     1.200     1.200 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.85149E-03 ppm1      7.666 ppm2      5.162 CV     1
 ASSI { 1231}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      2.600     0.800     0.800 peak  1231 spectrum    1 weight  0.11000E+01 volume  0.13568E-02 ppm1      7.683 ppm2      4.757 CV     1
 ASSI { 1232}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB1 ))
      3.500     1.500     1.500 peak  1232 spectrum    1 weight  0.11000E+01 volume  0.16018E-02 ppm1      7.673 ppm2      3.715 CV     1
 ASSI { 1233}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB2 ))
      2.900     1.000     1.000 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.14414E-02 ppm1      7.674 ppm2      3.608 CV     1
 ASSI { 1234}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HB1 ))
      4.200     2.300     1.800 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.44351E-03 ppm1      7.684 ppm2      3.100 CV     1
 ASSI { 1235}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
      4.600     2.700     1.400 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.68527E-03 ppm1      7.677 ppm2      2.140 CV     1
 ASSI { 1237}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak  1237 spectrum    1 weight  0.11000E+01 volume  0.10568E-02 ppm1      7.748 ppm2      3.289 CV     1
 ASSI { 1238}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.300     0.600     0.600 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.23122E-02 ppm1      7.750 ppm2      1.975 CV     1
 OR { 1238}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1241}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HG1 ))
      3.100     1.200     1.200 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.13557E-02 ppm1      7.757 ppm2      1.374 CV     1
 ASSI { 1243}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HD2%)
      4.400     2.500     1.600 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.98428E-03 ppm1      7.740 ppm2      0.834 CV     1
 ASSI { 1249}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 140  and name HB2 ))
      3.700     1.700     1.700 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.69151E-03 ppm1      7.119 ppm2      1.436 CV     1
 OR { 1249}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 140  and name HB1 ))
 ASSI { 1255}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 140  and name HA  ))
      3.100     1.200     1.200 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.13309E-02 ppm1      7.118 ppm2      4.250 CV     1
 ASSI { 1262}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HN  ))
      2.600     0.900     0.900 peak  1262 spectrum    1 weight  0.11000E+01 volume  0.37786E-02 ppm1      8.180 ppm2      8.670 CV     1
 ASSI { 1263}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      3.600     1.600     1.300 peak  1263 spectrum    1 weight  0.11000E+01 volume  0.20603E-02 ppm1      8.182 ppm2      4.911 CV     1
 ASSI { 1264}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      2.600     2.600     3.400 peak  1264 spectrum    1 weight  0.11000E+01 volume  0.24850E-02 ppm1      8.181 ppm2      4.638 CV     1
 ASSI { 1265}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
      3.200     1.300     1.300 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.36413E-02 ppm1      8.179 ppm2      4.350 CV     1
 OR { 1265}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 1267}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      3.400     1.400     1.400 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.90585E-03 ppm1      7.533 ppm2      4.873 CV     1
 ASSI { 1269}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      3.600     1.600     1.300 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.75705E-03 ppm1      7.530 ppm2      4.438 CV     1
 ASSI { 1272}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HB1 ))
      3.000     1.100     1.100 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.29560E-02 ppm1      7.530 ppm2      3.357 CV     1
 ASSI { 1274}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      3.100     1.200     1.200 peak  1274 spectrum    1 weight  0.11000E+01 volume  0.22365E-02 ppm1      8.184 ppm2      2.844 CV     1
 OR { 1274}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HB2 ))
 ASSI { 1275}
   (( segid "    " and resid 142  and name HN  ))
   (  segid "    " and resid 141  and name HB% )
      2.800     1.000     0.900 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.28211E-02 ppm1      7.530 ppm2      1.167 CV     1
 ASSI { 1282}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      3.400     1.500     1.500 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.15040E-02 ppm1      8.116 ppm2      1.041 CV     1
 ASSI { 1289}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.600     0.800     0.800 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.23059E-02 ppm1      8.119 ppm2      5.868 CV     1
 ASSI { 1290}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.100     1.200     1.200 peak  1290 spectrum    1 weight  0.11000E+01 volume  0.83004E-03 ppm1      8.116 ppm2      5.200 CV     1
 ASSI { 1292}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      2.900     1.000     0.700 peak  1292 spectrum    1 weight  0.11000E+01 volume  0.31648E-02 ppm1      8.239 ppm2      8.460 CV     1
 ASSI { 1293}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      5.200     3.300     0.800 peak  1293 spectrum    1 weight  0.11000E+01 volume  0.56721E-03 ppm1      8.985 ppm2      7.586 CV     1
 ASSI { 1295}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 129  and name HB  ))
      4.400     2.400     1.600 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.19906E-03 ppm1      6.670 ppm2      4.328 CV     1
 ASSI { 1296}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HA  ))
      4.000     2.200     2.000 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.46957E-03 ppm1      6.671 ppm2      4.015 CV     1
 ASSI { 1309}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.300     0.600     0.600 peak  1309 spectrum    1 weight  0.11000E+01 volume  0.30275E-02 ppm1      8.990 ppm2      4.835 CV     1
 ASSI { 1312}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HD1 ))
      4.200     2.200     1.800 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.17542E-02 ppm1      8.987 ppm2      4.025 CV     1
 ASSI { 1313}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HD2 ))
      4.500     2.500     1.500 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.17725E-02 ppm1      8.989 ppm2      3.725 CV     1
 ASSI { 1314}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA2 ))
      2.100     0.500     0.500 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.57812E-02 ppm1      8.990 ppm2      3.569 CV     1
 ASSI { 1315}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      4.000     2.200     1.500 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.11507E-02 ppm1      8.243 ppm2      4.499 CV     1
 ASSI { 1317}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.800     1.800     1.600 peak  1317 spectrum    1 weight  0.11000E+01 volume  0.11799E-02 ppm1      8.243 ppm2      4.368 CV     1
 ASSI { 1318}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.700     0.900     0.900 peak  1318 spectrum    1 weight  0.11000E+01 volume  0.35119E-02 ppm1      8.238 ppm2      4.270 CV     1
 ASSI { 1321}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.600     1.600     1.600 peak  1321 spectrum    1 weight  0.11000E+01 volume  0.82369E-03 ppm1      8.110 ppm2      4.273 CV     1
 ASSI { 1322}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      4.800     2.800     1.200 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.61015E-03 ppm1      8.991 ppm2      2.791 CV     1
 ASSI { 1323}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      4.500     2.500     1.500 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.47767E-03 ppm1      8.984 ppm2      2.072 CV     1
 ASSI { 1324}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      4.900     3.000     1.100 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.69098E-03 ppm1      8.983 ppm2      2.002 CV     1
 ASSI { 1326}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 39   and name HG2 ))
      5.200     3.400     0.800 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.27333E-03 ppm1      8.986 ppm2      1.283 CV     1
 OR { 1326}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 39   and name HG1 ))
 ASSI { 1328}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      3.500     1.500     1.200 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.16468E-02 ppm1      8.991 ppm2      1.183 CV     1
 ASSI { 1329}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.400     0.700     0.700 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.56728E-02 ppm1      8.236 ppm2      1.887 CV     1
 OR { 1329}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
 ASSI { 1331}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HG2 ))
      2.900     1.000     1.000 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.39866E-02 ppm1      8.238 ppm2      1.491 CV     1
 OR { 1331}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HG1 ))
 ASSI { 1333}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      5.100     3.300     0.900 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.41498E-03 ppm1      8.234 ppm2      2.706 CV     1
 ASSI { 1336}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HG2 ))
      4.200     2.200     1.800 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.65895E-03 ppm1      8.243 ppm2      2.440 CV     1
 ASSI { 1337}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
      3.400     1.400     1.400 peak  1337 spectrum    1 weight  0.11000E+01 volume  0.57691E-03 ppm1      8.120 ppm2      3.051 CV     1
 ASSI { 1340}
   (( segid "    " and resid 13   and name HD22))
   (( segid "    " and resid 16   and name HN  ))
      3.400     1.400     1.400 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.85766E-03 ppm1      9.456 ppm2      6.756 CV     1
 ASSI { 1343}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      4.500     2.500     1.500 peak  1343 spectrum    1 weight  0.11000E+01 volume  0.10889E-02 ppm1      8.388 ppm2      7.591 CV     1
 ASSI { 1344}
   (( segid "    " and resid 13   and name HD21))
   (( segid "    " and resid 13   and name HD22))
      1.700     0.300     0.500 peak  1344 spectrum    1 weight  0.11000E+01 volume  0.43347E-02 ppm1      7.314 ppm2      9.458 CV     1
 ASSI { 1346}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 16   and name HG2%)
      5.200     3.400     0.800 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.13519E-02 ppm1      7.758 ppm2      1.114 CV     1
 ASSI { 1348}
   (( segid "    " and resid 13   and name HD21))
   (( segid "    " and resid 13   and name HB1 ))
      2.800     1.000     1.000 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.64743E-03 ppm1      7.317 ppm2      3.197 CV     1
 ASSI { 1349}
   (( segid "    " and resid 13   and name HD21))
   (( segid "    " and resid 13   and name HB2 ))
      3.200     1.300     1.300 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.92905E-03 ppm1      7.310 ppm2      2.316 CV     1
 ASSI { 1351}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      5.100     3.200     0.900 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.59421E-03 ppm1      7.763 ppm2      4.521 CV     1
 ASSI { 1352}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.500     1.500     1.500 peak  1352 spectrum    1 weight  0.11000E+01 volume  0.11851E-02 ppm1      7.755 ppm2      4.391 CV     1
 ASSI { 1353}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak  1353 spectrum    1 weight  0.11000E+01 volume  0.72293E-02 ppm1      7.761 ppm2      4.284 CV     1
 ASSI { 1354}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD1 ))
      2.900     1.100     1.100 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.19964E-02 ppm1      7.764 ppm2      3.952 CV     1
 OR { 1354}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
 ASSI { 1356}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      2.800     1.000     1.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.29531E-02 ppm1      7.760 ppm2      2.162 CV     1
 OR { 1356}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
 ASSI { 1357}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.400     1.400     1.400 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.16405E-02 ppm1      7.763 ppm2      2.046 CV     1
 ASSI { 1359}
   (( segid "    " and resid 13   and name HD22))
   (( segid "    " and resid 13   and name HB1 ))
      4.000     2.000     2.000 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.77394E-03 ppm1      9.456 ppm2      3.192 CV     1
 ASSI { 1362}
   (( segid "    " and resid 13   and name HD22))
   (  segid "    " and resid 16   and name HG2%)
      4.700     2.800     1.300 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.15454E-02 ppm1      9.454 ppm2      1.112 CV     1
 ASSI { 1363}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      3.600     1.600     1.600 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.35586E-02 ppm1      8.386 ppm2      1.851 CV     1
 OR { 1363}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI { 1366}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      2.800     1.000     1.000 peak  1366 spectrum    1 weight  0.11000E+01 volume  0.22883E-02 ppm1      8.501 ppm2      3.868 CV     1
 ASSI { 1368}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.200     3.200     2.800 peak  1368 spectrum    1 weight  0.11000E+01 volume  0.11860E-02 ppm1      8.498 ppm2      4.508 CV     1
 ASSI { 1369}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.100     0.500     0.500 peak  1369 spectrum    1 weight  0.11000E+01 volume  0.65423E-02 ppm1      8.501 ppm2      4.415 CV     1
 ASSI { 1371}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.200     1.200 peak  1371 spectrum    1 weight  0.11000E+01 volume  0.12835E-02 ppm1      8.729 ppm2      5.500 CV     1
 ASSI { 1372}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.800     0.800     0.800 peak  1372 spectrum    1 weight  0.11000E+01 volume  0.25129E-02 ppm1      8.729 ppm2      4.765 CV     1
 ASSI { 1375}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      4.200     2.200     1.800 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.11474E-02 ppm1      8.733 ppm2      2.706 CV     1
 ASSI { 1376}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.100     1.200     1.200 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.17828E-02 ppm1      8.732 ppm2      1.161 CV     1
 ASSI { 1377}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      5.000     3.200     1.000 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.91962E-03 ppm1      8.726 ppm2      0.970 CV     1
 ASSI { 1378}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
      3.300     1.500     1.100 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.28423E-02 ppm1      8.052 ppm2      4.040 CV     1
 ASSI { 1379}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      4.300     2.300     1.700 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.35138E-03 ppm1      8.050 ppm2      3.786 CV     1
 OR { 1379}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 1386}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      4.200     2.400     1.800 peak  1386 spectrum    1 weight  0.11000E+01 volume  0.84001E-03 ppm1      8.054 ppm2      8.908 CV     1
 ASSI { 1387}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.800     0.900     0.900 peak  1387 spectrum    1 weight  0.11000E+01 volume  0.31816E-02 ppm1      8.057 ppm2      8.735 CV     1
 ASSI { 1391}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      4.200     2.200     1.800 peak  1391 spectrum    1 weight  0.11000E+01 volume  0.84206E-03 ppm1      7.061 ppm2      4.365 CV     1
 OR { 1391}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
 ASSI { 1393}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB  ))
      3.300     1.500     1.100 peak  1393 spectrum    1 weight  0.11000E+01 volume  0.26322E-02 ppm1      7.070 ppm2      4.100 CV     1
 ASSI { 1394}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.300     1.500     1.300 peak  1394 spectrum    1 weight  0.11000E+01 volume  0.20851E-02 ppm1      7.069 ppm2      3.988 CV     1
 ASSI { 1395}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      4.500     2.500     1.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.63373E-03 ppm1      7.063 ppm2      3.265 CV     1
 ASSI { 1396}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      3.100     1.200     1.200 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.18753E-02 ppm1      7.073 ppm2      2.698 CV     1
 ASSI { 1397}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      3.200     1.300     1.300 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.18263E-02 ppm1      7.068 ppm2      2.576 CV     1
 ASSI { 1399}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      3.900     1.900     1.900 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.50262E-03 ppm1      7.061 ppm2      2.248 CV     1
 ASSI { 1400}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 95   and name HB1 )
      4.500     2.500     1.500 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.64636E-03 ppm1      7.066 ppm2      2.118 CV     1
 ASSI { 1401}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 95   and name HB2 ))
      4.500     2.500     1.500 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.59737E-03 ppm1      7.065 ppm2      2.021 CV     1
 ASSI { 1402}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HB1 ))
      4.500     2.600     1.500 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.61099E-03 ppm1      7.070 ppm2      1.753 CV     1
 OR { 1402}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
 OR { 1402}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HG  ))
 ASSI { 1403}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 96   and name HG2%)
      4.100     2.100     1.900 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.13015E-02 ppm1      7.067 ppm2      1.253 CV     1
 ASSI { 1404}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HD% )
      3.800     1.800     1.800 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.11811E-02 ppm1      8.727 ppm2      7.296 CV     1
 ASSI { 1405}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      4.400     2.300     1.800 peak  1405 spectrum    1 weight  0.11000E+01 volume  0.64370E-03 ppm1      8.724 ppm2      9.347 CV     1
 ASSI { 1406}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HD1%))
      4.400     2.300     1.800 peak  1406 spectrum    1 weight  0.11000E+01 volume  0.64370E-03 ppm1      8.724 ppm2      9.347 CV     1
 ASSI { 1407}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HG1 ))
      2.900     1.100     1.100 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.15311E-02 ppm1      8.390 ppm2      1.347 CV     1
 OR { 1407}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HG2 ))
 ASSI { 1411}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 34   and name HG2%)
      3.500     1.500     1.500 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.18407E-02 ppm1      8.398 ppm2      1.223 CV     1
 ASSI { 1415}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.500     0.800     0.800 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.10470E-02 ppm1      8.401 ppm2      2.860 CV     1
 ASSI { 1417}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.600     0.800     0.800 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.25732E-02 ppm1      8.399 ppm2      4.382 CV     1
 ASSI { 1421}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HA  ))
      3.300     1.400     1.400 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.56983E-03 ppm1      9.081 ppm2      5.250 CV     1
 ASSI { 1425}
   (( segid "    " and resid 134  and name HN  ))
   (  segid "    " and resid 134  and name HD% )
      3.300     1.400     1.400 peak  1425 spectrum    1 weight  0.11000E+01 volume  0.14383E-02 ppm1      9.081 ppm2      6.614 CV     1
 ASSI { 1426}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      2.500     0.800     0.800 peak  1426 spectrum    1 weight  0.11000E+01 volume  0.17863E-02 ppm1      9.081 ppm2      5.042 CV     1
 ASSI { 1427}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 111  and name HD2 ))
      4.300     2.300     1.700 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.11625E-02 ppm1      8.297 ppm2      1.694 CV     1
 OR { 1427}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 111  and name HD1 ))
 ASSI { 1429}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HB1 ))
      4.500     2.500     1.500 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.49064E-03 ppm1      9.079 ppm2      2.279 CV     1
 ASSI { 1430}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HB2 ))
      3.100     1.200     1.200 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.60897E-03 ppm1      9.079 ppm2      1.869 CV     1
 ASSI { 1431}
   (( segid "    " and resid 134  and name HN  ))
   (  segid "    " and resid 123  and name HD1%)
      4.300     2.300     1.700 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.56314E-03 ppm1      9.082 ppm2      0.688 CV     1
 OR { 1431}
   (( segid "    " and resid 134  and name HN  ))
   (  segid "    " and resid 123  and name HD2%)
 ASSI { 1432}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      4.000     2.000     2.000 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.55541E-03 ppm1      9.079 ppm2      2.719 CV     1
 ASSI { 1441}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HB2 ))
      2.600     0.900     0.900 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.21153E-02 ppm1      8.294 ppm2      2.615 CV     1
 ASSI { 1442}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      3.000     1.100     1.100 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.19464E-02 ppm1      8.296 ppm2      4.727 CV     1
 ASSI { 1443}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      4.000     2.000     2.000 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.11497E-02 ppm1      8.297 ppm2      4.571 CV     1
 ASSI { 1444}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA2 ))
      3.300     1.500     1.800 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.11545E-02 ppm1      8.739 ppm2      3.465 CV     1
 ASSI { 1446}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      3.400     1.500     1.500 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.81620E-03 ppm1      8.750 ppm2      2.374 CV     1
 ASSI { 1448}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      2.600     0.800     0.800 peak  1448 spectrum    1 weight  0.11000E+01 volume  0.24290E-02 ppm1      8.295 ppm2      9.182 CV     1
 ASSI { 1452}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.200     0.600     0.600 peak  1452 spectrum    1 weight  0.11000E+01 volume  0.44659E-02 ppm1      7.915 ppm2      1.265 CV     1
 ASSI { 1453}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.400     0.700     0.700 peak  1453 spectrum    1 weight  0.11000E+01 volume  0.25475E-02 ppm1      7.915 ppm2      1.629 CV     1
 ASSI { 1456}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HG1 ))
      4.200     2.200     1.800 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.59657E-03 ppm1      7.907 ppm2      1.957 CV     1
 ASSI { 1459}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HB2 ))
      3.600     1.700     1.700 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.21226E-02 ppm1      8.666 ppm2      2.733 CV     1
 ASSI { 1460}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      2.900     1.000     1.000 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.33005E-02 ppm1      8.666 ppm2      4.910 CV     1
 ASSI { 1464}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 115  and name HA2 ))
      4.500     2.500     1.500 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.11435E-02 ppm1      8.668 ppm2      4.024 CV     1
 ASSI { 1463}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 115  and name HA1 ))
      4.100     2.100     1.900 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.11435E-02 ppm1      8.668 ppm2      4.024 CV     1
 ASSI { 1466}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 111  and name HD2 ))
      4.300     2.300     1.700 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.50490E-03 ppm1      9.103 ppm2      1.670 CV     1
 OR { 1466}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 111  and name HD1 ))
 ASSI { 1467}
   (( segid "    " and resid 138  and name HN  ))
   (  segid "    " and resid 114  and name HB% )
      4.300     2.300     1.700 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.74971E-03 ppm1      9.095 ppm2      1.553 CV     1
 ASSI { 1468}
   (( segid "    " and resid 138  and name HN  ))
   (  segid "    " and resid 141  and name HB% )
      3.000     1.100     1.100 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.18395E-02 ppm1      9.096 ppm2      1.182 CV     1
 ASSI { 1471}
   (( segid "    " and resid 138  and name HN  ))
   (  segid "    " and resid 109  and name HG1%)
      2.900     1.000     1.000 peak  1471 spectrum    1 weight  0.11000E+01 volume  0.69033E-03 ppm1      9.099 ppm2      0.578 CV     1
 ASSI { 1472}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 141  and name HN  ))
      4.300     2.400     1.700 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.52692E-03 ppm1      9.100 ppm2      7.090 CV     1
 ASSI { 1475}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 138  and name HA  ))
      3.100     1.200     1.200 peak  1475 spectrum    1 weight  0.11000E+01 volume  0.81319E-03 ppm1      9.102 ppm2      5.201 CV     1
 ASSI { 1476}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      3.600     1.600     1.600 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.61563E-03 ppm1      9.094 ppm2      4.441 CV     1
 ASSI { 1478}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 137  and name HB1 ))
      4.300     2.300     1.700 peak  1478 spectrum    1 weight  0.11000E+01 volume  0.63465E-03 ppm1      9.103 ppm2      3.347 CV     1
 ASSI { 1480}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.000     1.100     1.100 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.14929E-02 ppm1      9.370 ppm2      1.819 CV     1
 ASSI { 1481}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      3.200     1.300     1.300 peak  1481 spectrum    1 weight  0.11000E+01 volume  0.88139E-03 ppm1      9.090 ppm2      8.343 CV     1
 ASSI { 1483}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.600     0.600     0.600 peak  1483 spectrum    1 weight  0.11000E+01 volume  0.39429E-02 ppm1      7.916 ppm2      7.583 CV     1
 ASSI { 1491}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG1 ))
      4.200     2.300     1.800 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.68839E-03 ppm1      8.842 ppm2      1.619 CV     1
 ASSI { 1492}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.800     1.800     1.800 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.10627E-02 ppm1      8.846 ppm2      1.537 CV     1
 ASSI { 1495}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.900     1.000     1.000 peak  1495 spectrum    1 weight  0.11000E+01 volume  0.18618E-02 ppm1      7.879 ppm2      3.944 CV     1
 ASSI { 1496}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA2 ))
      3.700     1.700     1.700 peak  1496 spectrum    1 weight  0.11000E+01 volume  0.79459E-03 ppm1      7.881 ppm2      3.517 CV     1
 ASSI { 1498}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      3.700     1.700     1.700 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.75336E-03 ppm1      7.877 ppm2      3.180 CV     1
 ASSI { 1499}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.700     1.700     1.700 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.70406E-03 ppm1      8.168 ppm2      3.146 CV     1
 ASSI { 1500}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.200     1.300     1.300 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.19461E-02 ppm1      7.875 ppm2      2.970 CV     1
 ASSI { 1501}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.700     0.900     0.900 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.17500E-02 ppm1      7.878 ppm2      2.518 CV     1
 ASSI { 1502}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      5.200     3.400     0.800 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.52373E-03 ppm1      7.875 ppm2      2.335 CV     1
 ASSI { 1503}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 16   and name HG2%)
      3.700     1.700     1.700 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.73605E-03 ppm1      7.879 ppm2      1.118 CV     1
 ASSI { 1504}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      3.900     1.900     1.900 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.91152E-03 ppm1      7.878 ppm2      0.865 CV     1
 ASSI { 1509}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA2 ))
      3.600     1.600     1.600 peak  1509 spectrum    1 weight  0.11000E+01 volume  0.14311E-02 ppm1      9.200 ppm2      3.580 CV     1
 ASSI { 1511}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.500     1.500     1.500 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.64613E-03 ppm1      9.198 ppm2      2.695 CV     1
 ASSI { 1512}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD% )
      3.500     1.500     1.500 peak  1512 spectrum    1 weight  0.11000E+01 volume  0.23410E-02 ppm1      9.199 ppm2      7.297 CV     1
 ASSI { 1513}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.300     0.600     0.600 peak  1513 spectrum    1 weight  0.11000E+01 volume  0.38345E-02 ppm1      8.845 ppm2      5.362 CV     1
 ASSI { 1517}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.900     1.000     1.000 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.34188E-02 ppm1      8.393 ppm2      2.748 CV     1
 ASSI { 1519}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
      4.000     2.000     2.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.17793E-02 ppm1      8.393 ppm2      2.376 CV     1
 ASSI { 1520}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.800     1.800     1.600 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.26315E-02 ppm1      8.393 ppm2      2.125 CV     1
 ASSI { 1521}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.300     1.500     1.000 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.18309E-02 ppm1      8.396 ppm2      2.040 CV     1
 ASSI { 1523}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      4.000     2.200     1.700 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.16458E-02 ppm1      8.844 ppm2      0.517 CV     1
 OR { 1523}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1525}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.100     1.100 peak  1525 spectrum    1 weight  0.11000E+01 volume  0.11962E-02 ppm1      7.981 ppm2      5.509 CV     1
 ASSI { 1527}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      3.400     1.500     1.500 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.22156E-02 ppm1      8.571 ppm2      1.886 CV     1
 OR { 1527}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
 ASSI { 1528}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      3.900     1.900     1.900 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.10105E-02 ppm1      8.566 ppm2      1.711 CV     1
 OR { 1528}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HG  ))
 ASSI { 1529}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HG2 ))
      4.000     2.200     2.000 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.13510E-02 ppm1      8.566 ppm2      1.490 CV     1
 OR { 1529}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HG1 ))
 ASSI { 1530}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 5    and name HG1%)
      4.000     2.200     2.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.91802E-03 ppm1      8.390 ppm2      0.933 CV     1
 OR { 1530}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
 ASSI { 1531}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      4.700     2.800     1.300 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.13123E-02 ppm1      8.165 ppm2      1.196 CV     1
 OR { 1531}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
 ASSI { 1535}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB1 ))
      3.800     1.800     1.800 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.15179E-02 ppm1      8.212 ppm2      1.783 CV     1
 ASSI { 1536}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      3.400     1.400     1.400 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.26554E-02 ppm1      8.215 ppm2      1.676 CV     1
 ASSI { 1537}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.400     1.400     1.400 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.21427E-02 ppm1      8.163 ppm2      2.771 CV     1
 ASSI { 1538}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB  ))
      4.000     2.000     2.000 peak  1538 spectrum    1 weight  0.11000E+01 volume  0.16804E-02 ppm1      7.985 ppm2      2.252 CV     1
 ASSI { 1540}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      3.900     1.900     1.900 peak  1540 spectrum    1 weight  0.11000E+01 volume  0.26706E-02 ppm1      7.983 ppm2      0.863 CV     1
 ASSI { 1544}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA1 ))
      3.400     1.400     1.400 peak  1544 spectrum    1 weight  0.11000E+01 volume  0.11518E-02 ppm1      7.873 ppm2      4.188 CV     1
 ASSI { 1547}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.200     1.300     1.300 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.11439E-02 ppm1      8.164 ppm2      3.986 CV     1
 ASSI { 1549}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.300     1.500     1.100 peak  1549 spectrum    1 weight  0.11000E+01 volume  0.24551E-02 ppm1      8.566 ppm2      4.273 CV     1
 ASSI { 1554}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HG1 ))
      4.000     2.200     1.000 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.49296E-03 ppm1      9.373 ppm2      2.078 CV     1
 OR { 1554}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HG2 ))
 ASSI { 1555}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB  ))
      3.500     1.600     1.600 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.58668E-03 ppm1      8.851 ppm2      2.245 CV     1
 ASSI { 1557}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      4.200     2.200     1.800 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.10985E-02 ppm1      8.842 ppm2      1.793 CV     1
 ASSI { 1560}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 20   and name HD% ))
      4.500     2.500     1.500 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.65773E-03 ppm1      8.845 ppm2      7.353 CV     1
 ASSI { 1561}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.900     1.100     1.100 peak  1561 spectrum    1 weight  0.11000E+01 volume  0.12459E-02 ppm1      8.840 ppm2      9.301 CV     1
 ASSI { 1562}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 125  and name HD% )
      4.800     2.900     1.200 peak  1562 spectrum    1 weight  0.11000E+01 volume  0.94685E-03 ppm1      8.530 ppm2      7.422 CV     1
 ASSI { 1563}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 134  and name HE% )
      4.000     2.000     2.000 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.10917E-02 ppm1      8.529 ppm2      7.120 CV     1
 ASSI { 1565}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HN  ))
      4.700     2.800     1.300 peak  1565 spectrum    1 weight  0.11000E+01 volume  0.42540E-03 ppm1      8.533 ppm2      6.546 CV     1
 ASSI { 1566}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      3.300     1.400     1.400 peak  1566 spectrum    1 weight  0.11000E+01 volume  0.74944E-03 ppm1      8.534 ppm2      5.660 CV     1
 ASSI { 1568}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      3.100     1.200     1.200 peak  1568 spectrum    1 weight  0.11000E+01 volume  0.55789E-02 ppm1      8.531 ppm2      3.680 CV     1
 OR { 1568}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 1569}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      3.000     1.100     1.100 peak  1569 spectrum    1 weight  0.11000E+01 volume  0.12897E-02 ppm1      8.531 ppm2      3.395 CV     1
 ASSI { 1570}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      3.000     1.100     1.100 peak  1570 spectrum    1 weight  0.11000E+01 volume  0.19249E-02 ppm1      8.531 ppm2      3.035 CV     1
 ASSI { 1572}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     1.300     1.300 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.14822E-02 ppm1      8.276 ppm2      4.794 CV     1
 ASSI { 1577}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.800     1.800     2.000 peak  1577 spectrum    1 weight  0.11000E+01 volume  0.18155E-02 ppm1      8.273 ppm2      4.308 CV     1
 ASSI { 1578}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.900     1.900     1.900 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.82597E-03 ppm1      8.279 ppm2      3.959 CV     1
 OR { 1578}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 1579}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.000     1.100     1.100 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.21603E-02 ppm1      8.274 ppm2      3.541 CV     1
 ASSI { 1588}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.000     1.200     1.500 peak  1588 spectrum    1 weight  0.11000E+01 volume  0.48619E-02 ppm1      8.173 ppm2      8.394 CV     1
 ASSI { 1589}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak  1589 spectrum    1 weight  0.11000E+01 volume  0.14567E-02 ppm1      8.174 ppm2      9.632 CV     1
 ASSI { 1590}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.000     1.100     1.100 peak  1590 spectrum    1 weight  0.11000E+01 volume  0.28434E-02 ppm1      8.175 ppm2      4.809 CV     1
 ASSI { 1591}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.800     1.000     0.700 peak  1591 spectrum    1 weight  0.11000E+01 volume  0.68858E-02 ppm1      8.091 ppm2      4.795 CV     1
 ASSI { 1593}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.500     0.800     0.800 peak  1593 spectrum    1 weight  0.11000E+01 volume  0.19025E-02 ppm1      8.499 ppm2      5.203 CV     1
 ASSI { 1594}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      2.800     1.000     1.000 peak  1594 spectrum    1 weight  0.11000E+01 volume  0.31902E-02 ppm1      8.460 ppm2      4.682 CV     1
 ASSI { 1595}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.000     1.200     1.200 peak  1595 spectrum    1 weight  0.11000E+01 volume  0.14861E-02 ppm1      8.497 ppm2      4.307 CV     1
 ASSI { 1598}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.500     1.500     1.500 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.21495E-02 ppm1      8.176 ppm2      2.935 CV     1
 ASSI { 1599}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.300     1.500     1.300 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.24210E-02 ppm1      8.178 ppm2      2.736 CV     1
 ASSI { 1600}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.600     0.800     0.800 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.77995E-02 ppm1      8.175 ppm2      2.635 CV     1
 OR { 1600}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI { 1602}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.000     1.100     1.100 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.15657E-02 ppm1      8.091 ppm2      2.844 CV     1
 ASSI { 1603}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      2.700     2.700     3.300 peak  1603 spectrum    1 weight  0.11000E+01 volume  0.71776E-02 ppm1      8.091 ppm2      2.102 CV     1
 ASSI { 1604}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
      4.600     2.600     1.400 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.77934E-03 ppm1      8.174 ppm2      2.376 CV     1
 ASSI { 1605}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
      4.800     2.900     1.200 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.52190E-03 ppm1      8.096 ppm2      2.377 CV     1
 ASSI { 1607}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      3.600     1.600     1.600 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.24706E-02 ppm1      8.458 ppm2      2.105 CV     1
 ASSI { 1608}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      3.400     1.400     1.400 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.16952E-02 ppm1      8.457 ppm2      2.020 CV     1
 ASSI { 1611}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB  ))
      2.600     0.800     0.800 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.20009E-02 ppm1      8.487 ppm2      1.566 CV     1
 ASSI { 1617}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
      2.700     0.900     0.900 peak  1617 spectrum    1 weight  0.11000E+01 volume  0.27922E-02 ppm1      8.494 ppm2      0.649 CV     1
 ASSI { 1627}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.100     1.200     1.200 peak  1627 spectrum    1 weight  0.11000E+01 volume  0.13935E-02 ppm1      8.218 ppm2      2.320 CV     1
 ASSI { 1628}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB  ))
      3.600     1.600     1.600 peak  1628 spectrum    1 weight  0.11000E+01 volume  0.20731E-02 ppm1      8.222 ppm2      3.712 CV     1
 ASSI { 1629}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      2.700     0.900     0.900 peak  1629 spectrum    1 weight  0.11000E+01 volume  0.13723E-02 ppm1      8.217 ppm2      3.199 CV     1
 ASSI { 1632}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.300     0.600     0.600 peak  1632 spectrum    1 weight  0.11000E+01 volume  0.45100E-02 ppm1      8.218 ppm2      5.500 CV     1
 ASSI { 1633}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      2.400     0.700     0.700 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.57329E-02 ppm1      7.525 ppm2      1.997 CV     1
 ASSI { 1636}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      3.700     1.700     1.700 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.11916E-02 ppm1      7.523 ppm2      2.386 CV     1
 OR { 1636}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG1 ))
 OR { 1636}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI { 1638}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.800     0.900     0.900 peak  1638 spectrum    1 weight  0.11000E+01 volume  0.28500E-02 ppm1      7.524 ppm2      4.436 CV     1
 ASSI { 1639}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      4.300     2.400     1.700 peak  1639 spectrum    1 weight  0.11000E+01 volume  0.63426E-03 ppm1      7.522 ppm2      4.333 CV     1
 ASSI { 1641}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.000     1.100     1.100 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.24520E-02 ppm1      7.522 ppm2      3.580 CV     1
 ASSI { 1644}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 148  and name HB1 ))
      2.500     0.800     0.800 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.64663E-02 ppm1      8.375 ppm2      1.706 CV     1
 OR { 1644}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 148  and name HB2 ))
 ASSI { 1645}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 148  and name HG2 ))
      3.000     1.100     1.100 peak  1645 spectrum    1 weight  0.11000E+01 volume  0.31066E-02 ppm1      8.377 ppm2      1.582 CV     1
 OR { 1645}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 148  and name HG1 ))
 ASSI { 1648}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HG1 ))
      3.800     1.800     1.400 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.24341E-02 ppm1      8.211 ppm2      1.704 CV     1
 ASSI { 3044}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HB1 ))
      3.800     1.800     1.500 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.24341E-02 ppm1      8.211 ppm2      1.704 CV     1
 OR { 3044}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HB2 ))
 ASSI { 1650}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HB1 ))
      3.800     1.800     1.800 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.19718E-02 ppm1      8.374 ppm2      2.257 CV     1
 ASSI { 1652}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HB2 ))
      2.700     0.900     0.900 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.57265E-02 ppm1      8.572 ppm2      2.728 CV     1
 ASSI { 1653}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HA1 ))
      2.500     0.700     0.600 peak  1653 spectrum    1 weight  0.11000E+01 volume  0.74769E-02 ppm1      8.573 ppm2      4.207 CV     1
 ASSI { 1654}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HA2 ))
      2.800     1.000     1.000 peak  1654 spectrum    1 weight  0.11000E+01 volume  0.68832E-02 ppm1      8.572 ppm2      4.028 CV     1
 ASSI { 1658}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.400     0.700     0.700 peak  1658 spectrum    1 weight  0.11000E+01 volume  0.49904E-02 ppm1      8.248 ppm2      4.368 CV     1
 ASSI { 1661}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.600     0.800     0.800 peak  1661 spectrum    1 weight  0.11000E+01 volume  0.37466E-02 ppm1      7.522 ppm2      6.827 CV     1
 ASSI { 1662}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      4.300     2.300     1.700 peak  1662 spectrum    1 weight  0.11000E+01 volume  0.67477E-03 ppm1      7.527 ppm2      9.081 CV     1
 ASSI { 1664}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      4.100     2.100     1.900 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.12518E-02 ppm1      7.522 ppm2      8.305 CV     1
 ASSI { 1666}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      3.800     1.800     1.800 peak  1666 spectrum    1 weight  0.11000E+01 volume  0.18959E-02 ppm1      8.214 ppm2      8.580 CV     1
 ASSI { 1667}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.900     1.900     1.900 peak  1667 spectrum    1 weight  0.11000E+01 volume  0.10736E-02 ppm1      8.570 ppm2      8.192 CV     1
 ASSI { 1668}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HD% )
      4.700     2.800     1.300 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.11945E-02 ppm1      8.573 ppm2      7.446 CV     1
 ASSI { 1672}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.100     1.200     1.200 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.12348E-02 ppm1      8.574 ppm2      5.040 CV     1
 ASSI { 1673}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.300     1.300     1.300 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.19997E-02 ppm1      8.578 ppm2      2.180 CV     1
 ASSI { 1674}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HG2 ))
      3.100     1.200     1.200 peak  1674 spectrum    1 weight  0.11000E+01 volume  0.36033E-02 ppm1      8.209 ppm2      2.233 CV     1
 OR { 1674}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HG1 ))
 ASSI { 1676}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 109  and name HG2%)
      3.300     1.300     1.300 peak  1676 spectrum    1 weight  0.11000E+01 volume  0.17355E-02 ppm1      8.348 ppm2      0.870 CV     1
 ASSI { 1678}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HB1 ))
      3.100     3.100     2.900 peak  1678 spectrum    1 weight  0.11000E+01 volume  0.38231E-02 ppm1      8.211 ppm2      2.003 CV     1
 ASSI { 1680}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      3.300     1.500     3.000 peak  1680 spectrum    1 weight  0.11000E+01 volume  0.60399E-02 ppm1      8.208 ppm2      3.641 CV     1
 ASSI { 1681}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HB1 ))
      4.200     2.400     1.800 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.51395E-03 ppm1      8.208 ppm2      3.366 CV     1
 ASSI { 1682}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      2.600     0.800     0.800 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.49691E-02 ppm1      8.207 ppm2      4.267 CV     1
 ASSI { 1684}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.500     1.600     1.600 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.16072E-02 ppm1      8.572 ppm2      2.993 CV     1
 ASSI { 1685}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      2.900     1.100     1.100 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.33626E-02 ppm1      8.572 ppm2      2.914 CV     1
 ASSI { 1686}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.300     2.300     1.700 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.14107E-02 ppm1      8.571 ppm2      2.648 CV     1
 ASSI { 1687}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HD2 ))
      2.800     1.000     0.800 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.15178E-02 ppm1      7.586 ppm2      3.730 CV     1
 ASSI { 1690}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      4.100     2.100     1.900 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.56606E-03 ppm1      8.637 ppm2      4.877 CV     1
 ASSI { 1691}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.800     0.800 peak  1691 spectrum    1 weight  0.11000E+01 volume  0.37608E-02 ppm1      8.641 ppm2      4.789 CV     1
 ASSI { 1695}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
      2.400     2.400     3.600 peak  1695 spectrum    1 weight  0.11000E+01 volume  0.17518E-02 ppm1      8.643 ppm2      3.874 CV     1
 ASSI { 1696}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.900     1.000     1.000 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.24320E-02 ppm1      8.643 ppm2      2.844 CV     1
 ASSI { 1697}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      4.400     2.400     1.600 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.81030E-03 ppm1      8.644 ppm2      0.928 CV     1
 OR { 1697}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 5    and name HG1%)
 ASSI { 1699}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      3.700     1.700     1.700 peak  1699 spectrum    1 weight  0.11000E+01 volume  0.24150E-02 ppm1      8.644 ppm2      8.094 CV     1
 ASSI { 1703}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HG1 ))
      3.300     1.100     1.100 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.21391E-02 ppm1      7.583 ppm2      2.068 CV     1
 ASSI { 2077}
   (( segid "    " and resid 65   and name HG1 ))
   (( segid "    " and resid 65   and name HA  ))
      4.100     2.100     1.900 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.13046E-02 ppm1      2.070 ppm2      4.552 CV     1
 ASSI { 2078}
   (( segid "    " and resid 65   and name HG2 ))
   (( segid "    " and resid 65   and name HA  ))
      4.700     2.700     1.300 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.97709E-03 ppm1      1.877 ppm2      4.551 CV     1
 ASSI { 2853}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      3.800     1.800     1.500 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.21391E-02 ppm1      7.583 ppm2      2.068 CV     1
 ASSI { 1709}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HG1 ))
      3.500     1.500     1.500 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.45188E-02 ppm1      7.581 ppm2      1.384 CV     1
 OR { 1709}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HG2 ))
 ASSI { 1711}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      2.300     0.600     0.600 peak  1711 spectrum    1 weight  0.11000E+01 volume  0.77572E-02 ppm1      7.566 ppm2      1.200 CV     1
 ASSI { 1713}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.500     0.800     0.800 peak  1713 spectrum    1 weight  0.11000E+01 volume  0.44659E-02 ppm1      7.588 ppm2      4.530 CV     1
 ASSI { 1714}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.400     0.700     0.700 peak  1714 spectrum    1 weight  0.11000E+01 volume  0.36757E-02 ppm1      7.579 ppm2      4.326 CV     1
 ASSI { 1715}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.400     0.700     0.700 peak  1715 spectrum    1 weight  0.11000E+01 volume  0.45462E-02 ppm1      7.570 ppm2      4.019 CV     1
 ASSI { 1716}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA2 ))
      3.600     1.600     1.600 peak  1716 spectrum    1 weight  0.11000E+01 volume  0.27713E-02 ppm1      7.567 ppm2      3.626 CV     1
 ASSI { 1718}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
      4.500     2.500     1.500 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.95891E-03 ppm1      8.230 ppm2      0.616 CV     1
 ASSI { 1719}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB  ))
      3.400     1.500     1.500 peak  1719 spectrum    1 weight  0.11000E+01 volume  0.28433E-02 ppm1      8.225 ppm2      4.091 CV     1
 ASSI { 1722}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.100     1.200     1.200 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.59273E-03 ppm1      8.224 ppm2      3.041 CV     1
 ASSI { 1726}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.000     0.500     0.500 peak  1726 spectrum    1 weight  0.11000E+01 volume  0.50057E-02 ppm1      8.222 ppm2      5.486 CV     1
 ASSI { 1727}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.000     1.200     1.200 peak  1727 spectrum    1 weight  0.11000E+01 volume  0.87869E-03 ppm1      8.221 ppm2      4.911 CV     1
 ASSI { 1729}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      4.200     2.200     1.800 peak  1729 spectrum    1 weight  0.11000E+01 volume  0.62495E-03 ppm1      9.349 ppm2      2.194 CV     1
 ASSI { 1731}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.500     1.500     1.500 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.90558E-03 ppm1      8.723 ppm2      2.100 CV     1
 ASSI { 1734}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HG1 ))
      2.500     0.800     0.800 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.14193E-02 ppm1      9.126 ppm2      2.298 CV     1
 ASSI { 1735}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
      3.600     1.600     1.600 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.15441E-02 ppm1      9.120 ppm2      2.216 CV     1
 OR { 1735}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HG2 ))
 ASSI { 1737}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      3.300     1.400     1.400 peak  1737 spectrum    1 weight  0.11000E+01 volume  0.63948E-03 ppm1      9.341 ppm2      1.865 CV     1
 ASSI { 1741}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.700     1.700     1.700 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.32771E-02 ppm1      9.346 ppm2      1.165 CV     1
 OR { 1741}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 41   and name HG1%)
 ASSI { 1742}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      3.100     1.200     1.200 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.31738E-02 ppm1      9.346 ppm2      0.963 CV     1
 ASSI { 1744}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      2.200     0.400     0.500 peak  1744 spectrum    1 weight  0.11000E+01 volume  0.31516E-02 ppm1      9.124 ppm2      5.383 CV     1
 ASSI { 1745}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.100     1.200     1.200 peak  1745 spectrum    1 weight  0.11000E+01 volume  0.90258E-03 ppm1      9.124 ppm2      5.155 CV     1
 ASSI { 1747}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.600     1.600     1.600 peak  1747 spectrum    1 weight  0.11000E+01 volume  0.45758E-03 ppm1      9.347 ppm2      4.880 CV     1
 ASSI { 1749}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 88   and name HD% )
      4.300     2.300     1.700 peak  1749 spectrum    1 weight  0.11000E+01 volume  0.11482E-02 ppm1      9.121 ppm2      7.122 CV     1
 ASSI { 1754}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.400     1.500     1.500 peak  1754 spectrum    1 weight  0.11000E+01 volume  0.54986E-03 ppm1      8.718 ppm2      4.819 CV     1
 ASSI { 1757}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      3.300     1.500     1.000 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.79995E-03 ppm1      8.731 ppm2      4.036 CV     1
 ASSI { 1758}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      4.700     2.800     1.300 peak  1758 spectrum    1 weight  0.11000E+01 volume  0.66804E-03 ppm1      8.726 ppm2      3.789 CV     1
 ASSI { 1759}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.900     1.100     1.100 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.15607E-02 ppm1      8.729 ppm2      1.664 CV     1
 ASSI { 1761}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      3.500     3.500     2.500 peak  1761 spectrum    1 weight  0.11000E+01 volume  0.15553E-02 ppm1      7.728 ppm2      4.723 CV     1
 ASSI { 1764}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 115  and name HA1 ))
      4.000     2.200     1.000 peak  1764 spectrum    1 weight  0.11000E+01 volume  0.90360E-03 ppm1      7.718 ppm2      4.224 CV     1
 ASSI { 1766}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 115  and name HA2 ))
      4.200     2.200     1.000 peak  1766 spectrum    1 weight  0.11000E+01 volume  0.45150E-03 ppm1      7.719 ppm2      4.005 CV     1
 ASSI { 1767}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HB1 ))
      3.400     3.400     2.600 peak  1767 spectrum    1 weight  0.11000E+01 volume  0.14725E-02 ppm1      7.721 ppm2      2.931 CV     1
 ASSI { 1768}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HB2 ))
      3.000     3.000     3.000 peak  1768 spectrum    1 weight  0.11000E+01 volume  0.10152E-02 ppm1      7.723 ppm2      2.609 CV     1
 ASSI { 1769}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      4.300     2.300     1.700 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.61011E-03 ppm1      7.710 ppm2      1.827 CV     1
 OR { 1769}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
 ASSI { 1772}
   (( segid "    " and resid 114  and name HN  ))
   (  segid "    " and resid 114  and name HB% )
      2.200     0.600     0.600 peak  1772 spectrum    1 weight  0.11000E+01 volume  0.10154E-01 ppm1      7.720 ppm2      1.567 CV     1
 ASSI { 1774}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HG2 ))
      3.900     1.900     1.900 peak  1774 spectrum    1 weight  0.11000E+01 volume  0.39768E-02 ppm1      8.582 ppm2      2.241 CV     1
 OR { 1774}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HG1 ))
 ASSI { 1775}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HB1 ))
      3.000     1.100     1.100 peak  1775 spectrum    1 weight  0.11000E+01 volume  0.11224E-01 ppm1      8.582 ppm2      1.983 CV     1
 OR { 1775}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HB2 ))
 ASSI { 1781}
   (( segid "    " and resid 145  and name HN  ))
   (  segid "    " and resid 146  and name HG1%)
      4.700     2.700     1.300 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.90566E-03 ppm1      8.578 ppm2      0.945 CV     1
 OR { 1781}
   (( segid "    " and resid 145  and name HN  ))
   (  segid "    " and resid 146  and name HG2%)
 ASSI { 1785}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      2.400     0.700     0.700 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.39463E-02 ppm1      8.164 ppm2      1.748 CV     1
 OR { 1785}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI { 1786}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.800     1.000     1.000 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.20534E-02 ppm1      8.164 ppm2      1.647 CV     1
 OR { 1786}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 1790}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.000     1.100     1.100 peak  1790 spectrum    1 weight  0.11000E+01 volume  0.11538E-02 ppm1      9.061 ppm2      5.635 CV     1
 ASSI { 1793}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      2.800     1.000     0.800 peak  1793 spectrum    1 weight  0.11000E+01 volume  0.22828E-01 ppm1      8.582 ppm2      4.268 CV     1
 ASSI { 1797}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.800     1.000     1.000 peak  1797 spectrum    1 weight  0.11000E+01 volume  0.11759E-02 ppm1      8.164 ppm2      4.618 CV     1
 ASSI { 1799}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 147  and name HD2 ))
      4.400     2.400     1.600 peak  1799 spectrum    1 weight  0.11000E+01 volume  0.46356E-03 ppm1      8.582 ppm2      3.643 CV     1
 ASSI { 1802}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 115  and name HN  ))
      3.300     1.500     1.100 peak  1802 spectrum    1 weight  0.11000E+01 volume  0.21663E-02 ppm1      7.720 ppm2      8.584 CV     1
 ASSI { 1803}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      2.400     0.700     0.700 peak  1803 spectrum    1 weight  0.11000E+01 volume  0.36478E-02 ppm1      7.718 ppm2      8.300 CV     1
 ASSI { 1804}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 146  and name HN  ))
      3.300     1.400     1.400 peak  1804 spectrum    1 weight  0.11000E+01 volume  0.44016E-02 ppm1      8.581 ppm2      8.193 CV     1
 ASSI { 1806}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.800     1.800     1.700 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.61399E-03 ppm1      8.162 ppm2      9.671 CV     1
 OR { 1806}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1809}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      1.800     0.400     0.400 peak  1809 spectrum    1 weight  0.11000E+01 volume  0.20153E-01 ppm1      8.189 ppm2      4.276 CV     1
 ASSI { 1810}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HA  ))
      2.300     0.700     0.700 peak  1810 spectrum    1 weight  0.11000E+01 volume  0.67512E-02 ppm1      8.188 ppm2      4.380 CV     1
 ASSI { 1814}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      4.100     2.100     1.900 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.11987E-02 ppm1      8.345 ppm2      3.097 CV     1
 ASSI { 1815}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.300     1.500     1.300 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.21264E-02 ppm1      8.336 ppm2      2.756 CV     1
 ASSI { 1816}
   (( segid "    " and resid 146  and name HN  ))
   (  segid "    " and resid 146  and name HG1%)
      2.600     0.800     0.800 peak  1816 spectrum    1 weight  0.11000E+01 volume  0.98949E-02 ppm1      8.190 ppm2      0.939 CV     1
 OR { 1816}
   (( segid "    " and resid 146  and name HN  ))
   (  segid "    " and resid 146  and name HG2%)
 ASSI { 1817}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
      4.000     2.000     2.000 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.15035E-02 ppm1      8.191 ppm2      2.241 CV     1
 OR { 1817}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI { 1818}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      2.200     0.600     0.600 peak  1818 spectrum    1 weight  0.11000E+01 volume  0.78782E-02 ppm1      8.189 ppm2      2.054 CV     1
 ASSI { 1819}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      3.500     1.500     1.500 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.11559E-02 ppm1      8.470 ppm2      2.569 CV     1
 ASSI { 1826}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.600     0.800     1.000 peak  1826 spectrum    1 weight  0.11000E+01 volume  0.55671E-02 ppm1      8.342 ppm2      4.387 CV     1
 ASSI { 1829}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.200     0.600     0.600 peak  1829 spectrum    1 weight  0.11000E+01 volume  0.52590E-02 ppm1      9.183 ppm2      4.574 CV     1
 ASSI { 1831}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HB1 ))
      2.900     1.000     1.000 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.21440E-02 ppm1      9.184 ppm2      3.989 CV     1
 ASSI { 1832}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HB2 ))
      2.900     1.000     1.000 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.25627E-02 ppm1      9.183 ppm2      3.894 CV     1
 ASSI { 1833}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.300     0.700     0.700 peak  1833 spectrum    1 weight  0.11000E+01 volume  0.28657E-02 ppm1      9.422 ppm2      5.080 CV     1
 ASSI { 1834}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 106  and name HD% )
      3.200     1.300     1.300 peak  1834 spectrum    1 weight  0.11000E+01 volume  0.16023E-02 ppm1      9.419 ppm2      6.747 CV     1
 ASSI { 1835}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      3.100     1.200     1.200 peak  1835 spectrum    1 weight  0.11000E+01 volume  0.98287E-03 ppm1      9.423 ppm2      8.500 CV     1
 ASSI { 1839}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      4.500     2.600     1.500 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.70072E-03 ppm1      9.181 ppm2      1.833 CV     1
 OR { 1839}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
 ASSI { 1840}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HD1 ))
      4.500     2.600     1.500 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.14017E-02 ppm1      9.184 ppm2      1.712 CV     1
 OR { 1840}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HD2 ))
 ASSI { 1842}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HG1 ))
      3.600     1.600     1.600 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.84100E-03 ppm1      9.185 ppm2      1.444 CV     1
 OR { 1842}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HG2 ))
 ASSI { 1846}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      3.400     1.500     1.500 peak  1846 spectrum    1 weight  0.11000E+01 volume  0.89626E-03 ppm1      8.303 ppm2      9.666 CV     1
 ASSI { 1847}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HG1%)
      3.300     1.400     1.400 peak  1847 spectrum    1 weight  0.11000E+01 volume  0.61719E-02 ppm1      8.485 ppm2      0.930 CV     1
 OR { 1847}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
 ASSI { 1848}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      2.800     1.000     0.900 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.60372E-02 ppm1      8.304 ppm2      0.864 CV     1
 OR { 1848}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 1850}
   (( segid "    " and resid 110  and name HN  ))
   (  segid "    " and resid 109  and name HG2%)
      3.000     1.200     1.000 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.47166E-02 ppm1      9.153 ppm2      0.871 CV     1
 ASSI { 1855}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 143  and name HG1 ))
      2.800     1.000     1.000 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.44796E-02 ppm1      8.977 ppm2      1.667 CV     1
 OR { 1855}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 143  and name HB1 ))
 OR { 1855}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 143  and name HB2 ))
 ASSI { 1856}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      2.700     0.900     0.900 peak  1856 spectrum    1 weight  0.11000E+01 volume  0.33580E-02 ppm1      9.152 ppm2      2.771 CV     1
 ASSI { 1860}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      3.800     1.800     1.800 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.14918E-02 ppm1      8.304 ppm2      1.992 CV     1
 ASSI { 1861}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      3.100     1.200     1.200 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.11014E-02 ppm1      8.300 ppm2      1.741 CV     1
 ASSI { 1862}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.500     0.800     0.800 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.24867E-02 ppm1      8.301 ppm2      1.339 CV     1
 OR { 1862}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG  ))
 ASSI { 1864}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      1.800     0.400     0.400 peak  1864 spectrum    1 weight  0.11000E+01 volume  0.17260E-01 ppm1      8.485 ppm2      4.168 CV     1
 ASSI { 1865}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.400     0.700     0.700 peak  1865 spectrum    1 weight  0.11000E+01 volume  0.56047E-02 ppm1      8.486 ppm2      4.340 CV     1
 ASSI { 1870}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      2.700     0.900     0.900 peak  1870 spectrum    1 weight  0.11000E+01 volume  0.25698E-02 ppm1      9.156 ppm2      4.440 CV     1
 ASSI { 1871}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      2.300     0.600     0.600 peak  1871 spectrum    1 weight  0.11000E+01 volume  0.60079E-02 ppm1      9.154 ppm2      4.360 CV     1
 ASSI { 1872}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      2.800     1.000     0.800 peak  1872 spectrum    1 weight  0.11000E+01 volume  0.29149E-02 ppm1      8.977 ppm2      4.871 CV     1
 ASSI { 1874}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 142  and name HB1 ))
      3.600     1.600     1.600 peak  1874 spectrum    1 weight  0.11000E+01 volume  0.19933E-02 ppm1      8.978 ppm2      3.362 CV     1
 ASSI { 1875}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB1 ))
      3.200     1.300     1.300 peak  1875 spectrum    1 weight  0.11000E+01 volume  0.27052E-02 ppm1      9.153 ppm2      3.170 CV     1
 ASSI { 1876}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 142  and name HB2 ))
      3.000     1.200     1.100 peak  1876 spectrum    1 weight  0.11000E+01 volume  0.23355E-02 ppm1      8.977 ppm2      3.139 CV     1
 ASSI { 1879}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 144  and name HN  ))
      3.300     1.500     1.000 peak  1879 spectrum    1 weight  0.11000E+01 volume  0.20574E-02 ppm1      8.980 ppm2      8.209 CV     1
 ASSI { 1880}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 142  and name HN  ))
      4.100     2.100     1.900 peak  1880 spectrum    1 weight  0.11000E+01 volume  0.11449E-02 ppm1      8.978 ppm2      7.531 CV     1
 ASSI { 1882}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.100     0.500     0.500 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.43632E-02 ppm1      8.690 ppm2      3.787 CV     1
 ASSI { 1883}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HG1 ))
      4.400     2.500     1.600 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.13634E-02 ppm1      8.687 ppm2      2.138 CV     1
 OR { 1883}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI { 1884}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.500     1.500     1.500 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.17841E-02 ppm1      8.690 ppm2      1.945 CV     1
 ASSI { 1885}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.600     1.600     1.600 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.13461E-02 ppm1      8.684 ppm2      1.789 CV     1
 ASSI { 1887}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 58   and name HB% )
      3.700     1.700     1.700 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.13766E-02 ppm1      8.690 ppm2      0.270 CV     1
 ASSI { 1889}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 98   and name HD1%)
      3.000     1.200     1.000 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.23767E-02 ppm1      8.447 ppm2      0.876 CV     1
 ASSI { 1890}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      2.800     1.000     3.200 peak  1890 spectrum    1 weight  0.11000E+01 volume  0.84898E-02 ppm1      8.449 ppm2      4.490 CV     1
 ASSI { 1891}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      2.700     0.900     0.900 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.36734E-02 ppm1      8.449 ppm2      4.367 CV     1
 ASSI { 1892}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      3.500     1.600     1.600 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.14873E-02 ppm1      8.445 ppm2      2.709 CV     1
 ASSI { 1894}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB1 ))
      2.800     1.000     1.000 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.71273E-02 ppm1      8.449 ppm2      1.759 CV     1
 ASSI { 1895}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      2.700     0.900     0.900 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.58489E-02 ppm1      8.455 ppm2      1.697 CV     1
 ASSI { 1897}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      3.300     1.500     1.000 peak  1897 spectrum    1 weight  0.11000E+01 volume  0.15489E-02 ppm1      8.447 ppm2      7.072 CV     1
 ASSI { 1902}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.500     1.500     1.500 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.54305E-03 ppm1      8.226 ppm2      4.888 CV     1
 ASSI { 1903}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.400     0.600     0.600 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.50623E-02 ppm1      8.228 ppm2      4.309 CV     1
 ASSI { 1904}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.500     0.800     0.800 peak  1904 spectrum    1 weight  0.11000E+01 volume  0.26912E-02 ppm1      8.877 ppm2      4.769 CV     1
 ASSI { 1908}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      2.700     0.900     0.900 peak  1908 spectrum    1 weight  0.11000E+01 volume  0.26101E-02 ppm1      8.879 ppm2      3.057 CV     1
 ASSI { 1909}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.500     1.600     1.600 peak  1909 spectrum    1 weight  0.11000E+01 volume  0.20661E-02 ppm1      8.878 ppm2      2.573 CV     1
 ASSI { 1910}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      4.600     2.600     1.400 peak  1910 spectrum    1 weight  0.11000E+01 volume  0.71836E-03 ppm1      8.886 ppm2      8.417 CV     1
 ASSI { 1911}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 79   and name HD% )
      2.900     1.000     1.000 peak  1911 spectrum    1 weight  0.11000E+01 volume  0.14818E-02 ppm1      8.878 ppm2      6.810 CV     1
 ASSI { 1912}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.300     1.400     1.400 peak  1912 spectrum    1 weight  0.11000E+01 volume  0.77850E-03 ppm1      8.876 ppm2      4.899 CV     1
 ASSI { 1913}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 11   and name HG1%)
      3.800     1.800     1.600 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.11239E-02 ppm1      8.877 ppm2      0.696 CV     1
 ASSI { 1915}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.300     1.500     1.200 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.43122E-02 ppm1      8.880 ppm2      1.176 CV     1
 ASSI { 1916}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HG1 ))
      4.200     2.200     1.800 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.94769E-03 ppm1      8.230 ppm2      1.975 CV     1
 ASSI { 1922}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.500     0.800     0.800 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.47816E-02 ppm1      8.464 ppm2      1.687 CV     1
 OR { 1922}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HD1 ))
 OR { 1922}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HD2 ))
 ASSI { 1923}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      3.600     1.600     1.600 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.11251E-02 ppm1      8.466 ppm2      1.437 CV     1
 OR { 1923}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG1 ))
 ASSI { 1925}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      3.800     1.800     1.200 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.37237E-02 ppm1      8.460 ppm2      1.033 CV     1
 ASSI { 1926}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.800     1.000     1.000 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.27239E-02 ppm1      8.461 ppm2      4.482 CV     1
 ASSI { 1929}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.000     0.500     0.500 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.11877E-01 ppm1      9.084 ppm2      4.226 CV     1
 ASSI { 1931}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      3.700     1.700     1.700 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.28334E-02 ppm1      9.084 ppm2      2.833 CV     1
 ASSI { 1933}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      3.500     1.600     1.600 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.18168E-02 ppm1      9.086 ppm2      2.091 CV     1
 OR { 1933}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 1934}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      3.800     1.800     1.700 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.20441E-02 ppm1      9.081 ppm2      1.823 CV     1
 ASSI { 1935}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.800     1.900     1.900 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.18112E-02 ppm1      9.082 ppm2      1.731 CV     1
 ASSI { 1937}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.800     1.000     1.000 peak  1937 spectrum    1 weight  0.11000E+01 volume  0.24769E-02 ppm1      8.833 ppm2      1.968 CV     1
 OR { 1937}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
 ASSI { 1939}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HG2 ))
      2.300     0.700     0.700 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.10694E-02 ppm1      8.833 ppm2      1.667 CV     1
 ASSI { 1940}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 90   and name HB1 ))
      3.300     1.500     1.200 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.19490E-02 ppm1      8.829 ppm2      3.086 CV     1
 ASSI { 1942}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.300     0.500     0.600 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.46074E-02 ppm1      8.466 ppm2      4.252 CV     1
 ASSI { 1943}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.800     1.800     1.000 peak  1943 spectrum    1 weight  0.11000E+01 volume  0.96614E-03 ppm1      8.190 ppm2      5.357 CV     1
 ASSI { 1944}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.500     0.800     0.800 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.21886E-02 ppm1      8.194 ppm2      5.037 CV     1
 ASSI { 1946}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      4.900     3.000     1.100 peak  1946 spectrum    1 weight  0.11000E+01 volume  0.62342E-03 ppm1      8.190 ppm2      2.923 CV     1
 ASSI { 1948}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
      3.200     1.300     1.300 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.11355E-02 ppm1      8.194 ppm2      0.928 CV     1
 ASSI { 1950}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB1 ))
      3.800     3.800     2.200 peak  1950 spectrum    1 weight  0.11000E+01 volume  0.88033E-03 ppm1      9.668 ppm2      2.981 CV     1
 ASSI { 1951}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.500     1.500     1.200 peak  1951 spectrum    1 weight  0.11000E+01 volume  0.14372E-02 ppm1      9.624 ppm2      2.642 CV     1
 OR { 1951}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI { 1958}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.800     1.000     0.800 peak  1958 spectrum    1 weight  0.11000E+01 volume  0.32643E-02 ppm1      9.086 ppm2      6.825 CV     1
 ASSI { 1960}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 108  and name HD% )
      3.100     1.200     1.200 peak  1960 spectrum    1 weight  0.11000E+01 volume  0.17772E-02 ppm1      9.669 ppm2      6.733 CV     1
 ASSI { 1961}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.800     3.800     2.200 peak  1961 spectrum    1 weight  0.11000E+01 volume  0.43484E-03 ppm1      9.685 ppm2      5.619 CV     1
 ASSI { 1968}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      4.000     2.200     1.500 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.11814E-02 ppm1      8.463 ppm2      8.219 CV     1
 ASSI { 1974}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HG1 ))
      3.700     1.700     1.700 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.69862E-03 ppm1      8.833 ppm2      1.401 CV     1
 ASSI { 1979}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB1 ))
      2.800     1.000     1.000 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.34349E-02 ppm1      8.461 ppm2      1.771 CV     1
 ASSI { 1986}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB  ))
      3.100     1.200     1.200 peak  1986 spectrum    1 weight  0.11000E+01 volume  0.26702E-02 ppm1      8.768 ppm2      1.824 CV     1
 ASSI { 2000}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 108  and name HE% )
      4.200     2.200     1.800 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.56192E-03 ppm1      8.505 ppm2      6.468 CV     1
 ASSI { 2004}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 121  and name HG2%)
      2.900     1.000     1.000 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.72369E-02 ppm1      8.796 ppm2      0.898 CV     1
 OR { 2004}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 121  and name HG1%)
 ASSI { 2007}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 122  and name HB1 ))
      2.800     0.900     0.900 peak  2007 spectrum    1 weight  0.11000E+01 volume  0.20473E-02 ppm1      8.792 ppm2      2.959 CV     1
 ASSI { 2008}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 122  and name HB2 ))
      3.700     1.800     1.800 peak  2008 spectrum    1 weight  0.11000E+01 volume  0.16694E-02 ppm1      8.795 ppm2      2.678 CV     1
 ASSI { 2009}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HB  ))
      4.100     2.100     1.900 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.12323E-02 ppm1      8.789 ppm2      1.991 CV     1
 ASSI { 2010}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.100     1.200     1.200 peak  2010 spectrum    1 weight  0.11000E+01 volume  0.18983E-02 ppm1      9.199 ppm2      4.888 CV     1
 ASSI { 2012}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
      3.300     1.400     1.400 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.16584E-02 ppm1      9.192 ppm2      2.305 CV     1
 OR { 2012}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG1 ))
 ASSI { 2013}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.700     1.700     1.700 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.11186E-02 ppm1      9.199 ppm2      1.887 CV     1
 ASSI { 2014}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
      3.900     1.900     1.900 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.54883E-03 ppm1      9.184 ppm2      1.613 CV     1
 ASSI { 2015}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.400     0.700     0.700 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.75766E-03 ppm1      9.198 ppm2      1.369 CV     1
 ASSI { 2017}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB1 ))
      3.800     1.800     1.800 peak  2017 spectrum    1 weight  0.11000E+01 volume  0.90950E-03 ppm1      9.344 ppm2      3.058 CV     1
 ASSI { 2018}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 122  and name HD% )
      2.800     1.000     1.000 peak  2018 spectrum    1 weight  0.11000E+01 volume  0.10895E-02 ppm1      8.797 ppm2      6.629 CV     1
 ASSI { 2019}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.000     2.200     1.800 peak  2019 spectrum    1 weight  0.11000E+01 volume  0.16897E-02 ppm1      9.196 ppm2      8.220 CV     1
 ASSI { 2022}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.400     2.400     1.600 peak  2022 spectrum    1 weight  0.11000E+01 volume  0.49916E-03 ppm1      9.297 ppm2      8.215 CV     1
 ASSI { 2023}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      5.000     3.100     1.000 peak  2023 spectrum    1 weight  0.11000E+01 volume  0.45580E-03 ppm1      9.302 ppm2      7.820 CV     1
 ASSI { 2024}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HD% )
      2.700     0.900     0.900 peak  2024 spectrum    1 weight  0.11000E+01 volume  0.20485E-02 ppm1      9.302 ppm2      7.445 CV     1
 ASSI { 2025}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.000     1.000 peak  2025 spectrum    1 weight  0.11000E+01 volume  0.13261E-02 ppm1      9.309 ppm2      5.506 CV     1
 ASSI { 2027}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.100     0.600     0.600 peak  2027 spectrum    1 weight  0.11000E+01 volume  0.36929E-02 ppm1      9.300 ppm2      4.258 CV     1
 ASSI { 2030}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      3.000     1.100     1.100 peak  2030 spectrum    1 weight  0.11000E+01 volume  0.94579E-03 ppm1      9.653 ppm2      4.040 CV     1
 ASSI { 2036}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.600     1.700     1.700 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.13582E-02 ppm1      9.304 ppm2      3.005 CV     1
 ASSI { 2037}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.500     0.800     0.800 peak  2037 spectrum    1 weight  0.11000E+01 volume  0.11201E-02 ppm1      9.298 ppm2      2.649 CV     1
 ASSI { 2039}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HG  ))
      4.200     2.200     1.800 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.71346E-03 ppm1      9.303 ppm2      1.482 CV     1
 OR { 2039}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
 ASSI { 2054}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.800     1.800     1.800 peak  2054 spectrum    1 weight  0.11000E+01 volume  0.13922E-02 ppm1      8.470 ppm2      3.095 CV     1
 ASSI { 2055}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.000     1.100     1.100 peak  2055 spectrum    1 weight  0.11000E+01 volume  0.11587E-02 ppm1      8.466 ppm2      2.591 CV     1
 ASSI { 2058}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      3.600     1.600     1.600 peak  2058 spectrum    1 weight  0.11000E+01 volume  0.48733E-03 ppm1      8.889 ppm2      9.764 CV     1
 ASSI { 2059}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 59   and name HG1%)
      4.400     2.400     1.600 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.65990E-03 ppm1      8.878 ppm2      0.952 CV     1
 ASSI { 2061}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      5.400     3.600     0.600 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.61981E-03 ppm1      8.877 ppm2      2.175 CV     1
 ASSI { 2062}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HG2 ))
      4.000     2.000     2.000 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.71441E-03 ppm1      8.883 ppm2      2.082 CV     1
 OR { 2062}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HG1 ))
 ASSI { 2064}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.300     1.400     1.400 peak  2064 spectrum    1 weight  0.11000E+01 volume  0.66960E-03 ppm1      8.888 ppm2      5.458 CV     1
 ASSI { 2066}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 67   and name HG2%)
      4.800     2.800     1.200 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.10124E-02 ppm1      8.543 ppm2      1.082 CV     1
 ASSI { 2068}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.200     0.700 peak  2068 spectrum    1 weight  0.11000E+01 volume  0.25747E-02 ppm1      8.543 ppm2      4.929 CV     1
 ASSI { 2071}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      4.500     2.500     1.500 peak  2071 spectrum    1 weight  0.11000E+01 volume  0.70809E-03 ppm1      8.545 ppm2      4.046 CV     1
 ASSI { 2072}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.300     1.300     1.300 peak  2072 spectrum    1 weight  0.11000E+01 volume  0.13463E-02 ppm1      8.545 ppm2      2.790 CV     1
 ASSI { 2073}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.200     1.300     1.300 peak  2073 spectrum    1 weight  0.11000E+01 volume  0.11096E-02 ppm1      8.541 ppm2      2.006 CV     1
 ASSI { 2090}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.700     0.900     0.900 peak  2090 spectrum    1 weight  0.11000E+01 volume  0.95427E-03 ppm1      8.882 ppm2      4.702 CV     1
 ASSI { 2093}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      3.800     1.800     1.800 peak  2093 spectrum    1 weight  0.11000E+01 volume  0.10803E-02 ppm1      8.542 ppm2      8.995 CV     1
 ASSI { 2094}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.100     1.200     1.200 peak  2094 spectrum    1 weight  0.11000E+01 volume  0.87154E-03 ppm1      9.092 ppm2      9.345 CV     1
 ASSI { 2095}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.300     2.300     1.700 peak  2095 spectrum    1 weight  0.11000E+01 volume  0.55728E-03 ppm1      9.097 ppm2      8.172 CV     1
 ASSI { 2097}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      2.700     0.900     0.900 peak  2097 spectrum    1 weight  0.11000E+01 volume  0.17634E-02 ppm1      8.826 ppm2      5.487 CV     1
 ASSI { 2098}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      2.100     0.500     0.500 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.46078E-02 ppm1      8.828 ppm2      5.384 CV     1
 ASSI { 2099}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 125  and name HD% )
      3.600     1.600     1.600 peak  2099 spectrum    1 weight  0.11000E+01 volume  0.10558E-02 ppm1      8.872 ppm2      7.418 CV     1
 ASSI { 2100}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      3.600     1.600     1.600 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.66104E-03 ppm1      8.870 ppm2      7.038 CV     1
 ASSI { 2101}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 133  and name HD% )
      4.700     2.700     1.300 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.54400E-03 ppm1      8.884 ppm2      6.942 CV     1
 ASSI { 2103}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 133  and name HE% )
      4.600     2.700     1.400 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.75663E-03 ppm1      8.870 ppm2      6.247 CV     1
 ASSI { 2104}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      3.700     1.700     1.700 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.11486E-02 ppm1      8.826 ppm2      8.351 CV     1
 ASSI { 2110}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.700     0.900     0.900 peak  2110 spectrum    1 weight  0.11000E+01 volume  0.92110E-03 ppm1      9.640 ppm2      4.508 CV     1
 ASSI { 2111}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HB1 ))
      2.900     1.000     1.000 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.22989E-02 ppm1      8.869 ppm2      2.707 CV     1
 OR { 2111}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HB2 ))
 ASSI { 2112}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 136  and name HB2 ))
      3.200     1.300     1.300 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.87241E-03 ppm1      8.825 ppm2      2.499 CV     1
 ASSI { 2115}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.600     0.800     0.800 peak  2115 spectrum    1 weight  0.11000E+01 volume  0.33083E-02 ppm1      8.413 ppm2      4.347 CV     1
 ASSI { 2116}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      3.500     1.500     1.500 peak  2116 spectrum    1 weight  0.11000E+01 volume  0.12364E-02 ppm1      8.414 ppm2      5.247 CV     1
 ASSI { 2117}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.300     0.700     0.700 peak  2117 spectrum    1 weight  0.11000E+01 volume  0.35357E-02 ppm1      8.413 ppm2      4.914 CV     1
 ASSI { 2118}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HB2 ))
      3.900     1.900     1.900 peak  2118 spectrum    1 weight  0.11000E+01 volume  0.15732E-02 ppm1      8.827 ppm2      3.663 CV     1
 ASSI { 2119}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 136  and name HB1 ))
      3.100     1.200     1.200 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.79623E-03 ppm1      8.837 ppm2      3.197 CV     1
 ASSI { 2120}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.600     0.900     0.900 peak  2120 spectrum    1 weight  0.11000E+01 volume  0.17903E-02 ppm1      9.000 ppm2      4.823 CV     1
 ASSI { 2121}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.100     1.200     1.200 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.13300E-02 ppm1      8.998 ppm2      4.503 CV     1
 ASSI { 2124}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.700     0.900     0.900 peak  2124 spectrum    1 weight  0.11000E+01 volume  0.27643E-02 ppm1      8.412 ppm2      7.526 CV     1
 ASSI { 2125}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      3.700     1.700     1.700 peak  2125 spectrum    1 weight  0.11000E+01 volume  0.19144E-02 ppm1      8.410 ppm2      9.078 CV     1
 ASSI { 2127}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.300     1.400     1.400 peak  2127 spectrum    1 weight  0.11000E+01 volume  0.79459E-03 ppm1      8.997 ppm2      9.775 CV     1
 ASSI { 2128}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      3.800     1.800     1.800 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.14407E-02 ppm1      8.409 ppm2      0.853 CV     1
 OR { 2128}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 2131}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 61   and name HB  ))
      3.400     1.400     1.400 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.91954E-03 ppm1      8.998 ppm2      1.693 CV     1
 ASSI { 2132}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
      2.800     1.000     1.000 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.17250E-02 ppm1      9.000 ppm2      1.569 CV     1
 ASSI { 2133}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      3.300     1.400     1.400 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.16718E-02 ppm1      8.995 ppm2      1.276 CV     1
 ASSI { 2138}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 59   and name HG1%)
      3.400     1.400     1.400 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.13889E-02 ppm1      9.767 ppm2      0.952 CV     1
 ASSI { 2139}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      4.000     2.200     1.500 peak  2139 spectrum    1 weight  0.11000E+01 volume  0.76127E-03 ppm1      8.404 ppm2      3.071 CV     1
 ASSI { 2141}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.800     1.800     1.800 peak  2141 spectrum    1 weight  0.11000E+01 volume  0.12020E-02 ppm1      8.412 ppm2      2.573 CV     1
 ASSI { 2142}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
      3.800     1.800     1.800 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.14293E-02 ppm1      8.410 ppm2      2.084 CV     1
 OR { 2142}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
 ASSI { 2143}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      3.000     1.100     1.100 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.23578E-02 ppm1      8.413 ppm2      1.822 CV     1
 ASSI { 2144}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.000     1.100     1.100 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.27654E-02 ppm1      8.411 ppm2      1.727 CV     1
 ASSI { 2145}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 122  and name HB2 ))
      3.400     1.500     1.500 peak  2145 spectrum    1 weight  0.11000E+01 volume  0.67139E-03 ppm1      8.541 ppm2      2.681 CV     1
 ASSI { 2147}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HB2 ))
      2.600     0.800     0.800 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.12250E-02 ppm1      8.545 ppm2      1.177 CV     1
 ASSI { 2149}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 123  and name HD1%)
      3.000     1.100     1.100 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.35650E-02 ppm1      8.550 ppm2      0.692 CV     1
 OR { 2149}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 123  and name HD2%)
 ASSI { 2150}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 134  and name HA  ))
      2.800     1.000     1.000 peak  2150 spectrum    1 weight  0.11000E+01 volume  0.12708E-02 ppm1      8.549 ppm2      5.255 CV     1
 ASSI { 2151}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      2.900     1.100     1.100 peak  2151 spectrum    1 weight  0.11000E+01 volume  0.17684E-02 ppm1      8.550 ppm2      4.231 CV     1
 ASSI { 2154}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 122  and name HN  ))
      4.400     2.400     1.600 peak  2154 spectrum    1 weight  0.11000E+01 volume  0.68527E-03 ppm1      8.545 ppm2      8.809 CV     1
 ASSI { 2157}
   (( segid "    " and resid 136  and name HE1 ))
   (( segid "    " and resid 119  and name HA  ))
      3.600     1.600     1.100 peak  2157 spectrum    1 weight  0.11000E+01 volume  0.18326E-02 ppm1      9.789 ppm2      4.361 CV     1
 ASSI { 2158}
   (( segid "    " and resid 136  and name HE1 ))
   (( segid "    " and resid 136  and name HZ2 ))
      3.100     1.200     1.200 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.16905E-02 ppm1      9.792 ppm2      7.253 CV     1
 ASSI { 2159}
   (( segid "    " and resid 136  and name HE1 ))
   (( segid "    " and resid 136  and name HD1 ))
      2.600     0.900     0.900 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.36948E-02 ppm1      9.788 ppm2      6.905 CV     1
 ASSI { 2162}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.500     0.800     0.800 peak  2162 spectrum    1 weight  0.11000E+01 volume  0.13411E-02 ppm1      9.223 ppm2      4.844 CV     1
 ASSI { 2164}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.300     1.300     1.300 peak  2164 spectrum    1 weight  0.11000E+01 volume  0.45682E-03 ppm1      9.213 ppm2      5.390 CV     1
 ASSI { 2172}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.100     1.200     1.200 peak  2172 spectrum    1 weight  0.11000E+01 volume  0.40673E-02 ppm1      8.900 ppm2      1.336 CV     1
 ASSI { 2174}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.400     0.700     0.700 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.41156E-02 ppm1      7.820 ppm2      1.191 CV     1
 ASSI { 2175}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      3.800     1.800     1.800 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.12062E-02 ppm1      7.820 ppm2      0.857 CV     1
 ASSI { 2177}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 11   and name HG1%)
      4.600     2.600     1.400 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.10249E-02 ppm1      8.899 ppm2      0.691 CV     1
 ASSI { 2178}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HD2%)
      4.200     2.200     1.800 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.23662E-02 ppm1      7.822 ppm2      0.691 CV     1
 OR { 2178}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
 ASSI { 2180}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      2.700     0.900     0.900 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.42784E-02 ppm1      7.822 ppm2      1.493 CV     1
 OR { 2180}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG  ))
 ASSI { 2181}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.900     1.000     1.000 peak  2181 spectrum    1 weight  0.11000E+01 volume  0.20004E-02 ppm1      7.823 ppm2      4.257 CV     1
 ASSI { 2183}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.400     1.400     1.400 peak  2183 spectrum    1 weight  0.11000E+01 volume  0.95997E-03 ppm1      7.823 ppm2      2.971 CV     1
 ASSI { 2184}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      4.500     2.500     1.500 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.65519E-03 ppm1      7.823 ppm2      2.529 CV     1
 ASSI { 2186}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
      4.500     2.500     1.500 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.75123E-03 ppm1      8.904 ppm2      4.037 CV     1
 ASSI { 2187}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 11   and name HB  ))
      4.600     2.600     1.400 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.54727E-03 ppm1      8.899 ppm2      2.245 CV     1
 ASSI { 2188}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      4.900     3.000     1.100 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.45659E-03 ppm1      7.826 ppm2      5.499 CV     1
 ASSI { 2189}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.000     1.200     1.200 peak  2189 spectrum    1 weight  0.11000E+01 volume  0.11233E-02 ppm1      8.904 ppm2      5.039 CV     1
 ASSI { 2194}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HA  ))
      2.300     0.600     0.600 peak  2194 spectrum    1 weight  0.11000E+01 volume  0.29116E-02 ppm1      9.364 ppm2      5.203 CV     1
 ASSI { 2195}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 139  and name HA  ))
      3.000     1.100     1.100 peak  2195 spectrum    1 weight  0.11000E+01 volume  0.13483E-02 ppm1      9.363 ppm2      4.546 CV     1
 ASSI { 2196}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HB  ))
      3.900     1.900     1.900 peak  2196 spectrum    1 weight  0.11000E+01 volume  0.14601E-02 ppm1      9.363 ppm2      4.282 CV     1
 ASSI { 2198}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 139  and name HB1 ))
      2.600     0.900     0.900 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.20880E-02 ppm1      9.362 ppm2      4.103 CV     1
 ASSI { 2202}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      2.800     1.000     1.000 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.59136E-02 ppm1      2.113 ppm2      4.554 CV     1
 ASSI { 2203}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HA  ))
      2.800     1.000     1.000 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.59136E-02 ppm1      2.113 ppm2      4.554 CV     1
 ASSI { 2201}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 140  and name HB2 ))
      4.800     2.900     1.200 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.42556E-03 ppm1      9.361 ppm2      1.456 CV     1
 OR { 2201}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 140  and name HB1 ))
 ASSI { 2206}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      4.900     3.000     1.100 peak  2206 spectrum    1 weight  0.11000E+01 volume  0.45587E-03 ppm1      8.631 ppm2      2.599 CV     1
 ASSI { 2208}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      4.600     2.700     1.400 peak  2208 spectrum    1 weight  0.11000E+01 volume  0.73339E-03 ppm1      6.966 ppm2      2.770 CV     1
 ASSI { 2209}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      2.800     1.000     1.000 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.11660E-02 ppm1      6.975 ppm2      1.829 CV     1
 OR { 2209}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
 ASSI { 2210}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HD2 ))
      4.300     2.300     1.700 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.13486E-02 ppm1      6.969 ppm2      1.720 CV     1
 OR { 2210}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HD1 ))
 ASSI { 2212}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.500     0.800     0.800 peak  2212 spectrum    1 weight  0.11000E+01 volume  0.29320E-02 ppm1      6.970 ppm2      4.558 CV     1
 ASSI { 2213}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      2.000     0.500     0.500 peak  2213 spectrum    1 weight  0.11000E+01 volume  0.58870E-02 ppm1      6.970 ppm2      4.438 CV     1
 ASSI { 2215}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.700     0.900     0.900 peak  2215 spectrum    1 weight  0.11000E+01 volume  0.94841E-03 ppm1      8.638 ppm2      4.827 CV     1
 ASSI { 2218}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.900     1.000     1.000 peak  2218 spectrum    1 weight  0.11000E+01 volume  0.13345E-02 ppm1      8.628 ppm2      8.445 CV     1
 ASSI { 2220}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      3.600     1.600     1.600 peak  2220 spectrum    1 weight  0.11000E+01 volume  0.15713E-02 ppm1      6.967 ppm2      9.170 CV     1
 ASSI { 2221}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 138  and name HN  ))
      3.000     1.100     1.100 peak  2221 spectrum    1 weight  0.11000E+01 volume  0.15268E-02 ppm1      6.968 ppm2      9.108 CV     1
 ASSI { 2222}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 139  and name HB1 ))
      4.900     3.000     1.100 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.45720E-03 ppm1      6.968 ppm2      4.099 CV     1
 ASSI { 2223}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HB1 ))
      4.200     2.200     1.800 peak  2223 spectrum    1 weight  0.11000E+01 volume  0.91893E-03 ppm1      6.967 ppm2      3.160 CV     1
 ASSI { 2224}
   (( segid "    " and resid 133  and name HN  ))
   (  segid "    " and resid 123  and name HD1%)
      5.100     3.200     0.900 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.59022E-03 ppm1      8.788 ppm2      0.693 CV     1
 OR { 2224}
   (( segid "    " and resid 133  and name HN  ))
   (  segid "    " and resid 123  and name HD2%)
 ASSI { 2226}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      3.800     1.800     1.800 peak  2226 spectrum    1 weight  0.11000E+01 volume  0.52639E-03 ppm1      8.807 ppm2      5.656 CV     1
 ASSI { 2228}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 134  and name HN  ))
      4.700     2.700     1.300 peak  2228 spectrum    1 weight  0.11000E+01 volume  0.43624E-03 ppm1      8.800 ppm2      9.077 CV     1
 ASSI { 2236}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 88   and name HD% )
      4.100     2.100     1.900 peak  2236 spectrum    1 weight  0.11000E+01 volume  0.45294E-03 ppm1      9.224 ppm2      7.126 CV     1
 ASSI { 2240}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 130  and name HA  ))
      2.400     0.700     0.700 peak  2240 spectrum    1 weight  0.11000E+01 volume  0.27141E-02 ppm1      7.761 ppm2      3.604 CV     1
 ASSI { 2241}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.600     2.600     1.400 peak  2241 spectrum    1 weight  0.11000E+01 volume  0.45644E-03 ppm1      8.838 ppm2      7.984 CV     1
 ASSI { 2244}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.000     2.000     2.000 peak  2244 spectrum    1 weight  0.11000E+01 volume  0.14002E-02 ppm1      7.985 ppm2      8.217 CV     1
 ASSI { 2245}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.400     1.500     1.500 peak  2245 spectrum    1 weight  0.11000E+01 volume  0.10691E-02 ppm1      9.200 ppm2      9.381 CV     1
 ASSI { 2246}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      4.400     2.600     1.300 peak  2246 spectrum    1 weight  0.11000E+01 volume  0.55458E-03 ppm1      8.731 ppm2      9.203 CV     1
 ASSI { 2248}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      4.500     2.500     1.500 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.32420E-03 ppm1      8.229 ppm2      9.108 CV     1
 ASSI { 2250}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      4.500     2.500     1.500 peak  2250 spectrum    1 weight  0.11000E+01 volume  0.47953E-03 ppm1      8.879 ppm2      9.363 CV     1
 OR { 2250}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 2255}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      4.800     2.900     1.200 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.32919E-03 ppm1      8.117 ppm2      9.232 CV     1
 ASSI { 2259}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      4.700     2.700     1.300 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.50787E-03 ppm1      8.467 ppm2      2.338 CV     1
 ASSI { 2261}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      4.000     2.200     2.000 peak  2261 spectrum    1 weight  0.11000E+01 volume  0.56968E-03 ppm1      8.212 ppm2      9.112 CV     1
 ASSI { 2263}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      4.000     2.200    2.000 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.12497E-02 ppm1      8.338 ppm2      1.200 CV     1
 ASSI { 2274}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      5.000     3.100     1.000 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.46454E-03 ppm1      9.759 ppm2      0.890 CV     1
 ASSI { 2279}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 59   and name HG1%)
      4.100     2.100     1.900 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.41662E-03 ppm1      9.758 ppm2      0.953 CV     1
 ASSI { 2280}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
      4.100     2.100     1.900 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.68599E-03 ppm1      9.771 ppm2      0.699 CV     1
 ASSI { 2284}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.000     2.200     2.000 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.75442E-03 ppm1      8.995 ppm2      4.918 CV     1
 ASSI { 2286}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      4.200     2.200     1.800 peak  2286 spectrum    1 weight  0.11000E+01 volume  0.51278E-03 ppm1      8.634 ppm2      3.097 CV     1
 ASSI { 2289}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      4.200     2.200     1.800 peak  2289 spectrum    1 weight  0.11000E+01 volume  0.50988E-03 ppm1      7.762 ppm2      6.927 CV     1
 ASSI { 2291}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.800     1.000     1.000 peak  2291 spectrum    1 weight  0.11000E+01 volume  0.20325E-02 ppm1      8.710 ppm2      9.066 CV     1
 ASSI { 2292}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      4.500     2.500     1.500 peak  2292 spectrum    1 weight  0.11000E+01 volume  0.14603E-02 ppm1      8.708 ppm2      8.888 CV     1
 ASSI { 2293}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 84   and name HD1%)
      4.300     2.300     1.700 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.65579E-03 ppm1      8.872 ppm2      0.170 CV     1
 ASSI { 2295}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 108  and name HD% )
      5.100     3.200     0.900 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.58440E-03 ppm1      8.301 ppm2      6.740 CV     1
 ASSI { 2296}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      4.500     2.500     1.500 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.70844E-03 ppm1      8.307 ppm2      9.069 CV     1
 ASSI { 2297}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 84   and name HD2%)
      4.500     2.600     1.500 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.90794E-03 ppm1      8.300 ppm2      0.442 CV     1
 ASSI { 2299}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      4.600     2.600     1.400 peak  2299 spectrum    1 weight  0.11000E+01 volume  0.68615E-03 ppm1      9.067 ppm2      8.507 CV     1
 ASSI { 2303}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      2.500     0.800     0.800 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.31664E-02 ppm1      9.059 ppm2      1.631 CV     1
 OR { 2303}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
 ASSI { 2308}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 84   and name HD2%)
      4.300     2.400     1.700 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.75431E-03 ppm1      9.056 ppm2      0.441 CV     1
 ASSI { 2312}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      4.600     2.700     1.400 peak  2312 spectrum    1 weight  0.11000E+01 volume  0.33276E-03 ppm1      8.773 ppm2      9.235 CV     1
 ASSI { 2314}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
      2.700     0.900     0.900 peak  2314 spectrum    1 weight  0.11000E+01 volume  0.12306E-02 ppm1      9.358 ppm2      2.643 CV     1
 ASSI { 2315}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HD% )
      3.900     1.900     1.900 peak  2315 spectrum    1 weight  0.11000E+01 volume  0.66420E-03 ppm1      9.359 ppm2      6.965 CV     1
 ASSI { 2317}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 87   and name HG2%)
      5.000     3.200     1.000 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.41202E-03 ppm1      9.126 ppm2      0.772 CV     1
 ASSI { 3593}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 89   and name HN  ))
      4.100     2.100     1.900 peak  3593 spectrum    1 weight  0.10000E+01 volume  0.79760E-03 ppm1      2.213 ppm2      9.128 CV     1
 ASSI { 3595}
   (( segid "    " and resid 89   and name HG1 ))
   (( segid "    " and resid 89   and name HN  ))
      3.300     1.500     0.800 peak  3595 spectrum    1 weight  0.10000E+01 volume  0.12355E-02 ppm1      2.290 ppm2      9.135 CV     1
 ASSI { 2320}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HB1 ))
      4.200     2.200     1.800 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.10271E-02 ppm1      8.522 ppm2      3.100 CV     1
 ASSI { 2321}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      4.400     2.400     1.600 peak  2321 spectrum    1 weight  0.11000E+01 volume  0.76694E-03 ppm1      8.748 ppm2      8.529 CV     1
 OR { 2321}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 2323}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      3.300     1.300     1.300 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.10637E-02 ppm1      8.748 ppm2      2.828 CV     1
 OR { 2323}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB1 ))
 ASSI { 2329}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      4.900     3.000     1.100 peak  2329 spectrum    1 weight  0.11000E+01 volume  0.68170E-03 ppm1      7.095 ppm2      4.484 CV     1
 OR { 2329}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 129  and name HA  ))
 ASSI { 2330}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      2.800     1.000     0.600 peak  2330 spectrum    1 weight  0.11000E+01 volume  0.53624E-02 ppm1      8.568 ppm2      8.238 CV     1
 ASSI { 2332}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      2.800     1.000     1.000 peak  2332 spectrum    1 weight  0.11000E+01 volume  0.30566E-02 ppm1      8.566 ppm2      8.469 CV     1
 ASSI { 2333}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      3.300     1.300     1.300 peak  2333 spectrum    1 weight  0.11000E+01 volume  0.30327E-02 ppm1      8.568 ppm2      2.099 CV     1
 ASSI { 2343}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 114  and name HB% )
      3.900     1.900     1.900 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.23190E-02 ppm1      8.295 ppm2      1.549 CV     1
 ASSI { 2344}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 111  and name HG2 ))
      2.700     0.900     0.900 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.16915E-02 ppm1      8.295 ppm2      1.442 CV     1
 OR { 2344}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 111  and name HG1 ))
 ASSI { 2345}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      4.500     2.600     1.500 peak  2345 spectrum    1 weight  0.11000E+01 volume  0.58059E-03 ppm1      8.578 ppm2      9.310 CV     1
 ASSI { 2346}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      2.800     1.000     0.700 peak  2346 spectrum    1 weight  0.11000E+01 volume  0.56770E-02 ppm1      8.665 ppm2      8.582 CV     1
 ASSI { 2349}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 135  and name HN  ))
      3.000     1.100     1.100 peak  2349 spectrum    1 weight  0.11000E+01 volume  0.11928E-02 ppm1      8.737 ppm2      9.095 CV     1
 ASSI { 2353}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      3.600     1.600     1.600 peak  2353 spectrum    1 weight  0.11000E+01 volume  0.30716E-03 ppm1      8.878 ppm2      5.215 CV     1
 ASSI { 2355}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      4.700     2.800     1.300 peak  2355 spectrum    1 weight  0.11000E+01 volume  0.56606E-03 ppm1      8.873 ppm2      3.031 CV     1
 ASSI { 2356}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 131  and name HB  ))
      4.900     3.000     1.100 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.42932E-03 ppm1      8.873 ppm2      3.518 CV     1
 OR { 2356}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 130  and name HA  ))
 ASSI { 2357}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      4.700     2.800     1.300 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.41384E-03 ppm1      8.868 ppm2      3.371 CV     1
 ASSI { 2359}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      2.400     0.700     0.700 peak  2359 spectrum    1 weight  0.11000E+01 volume  0.28177E-02 ppm1      8.847 ppm2      4.735 CV     1
 ASSI { 2364}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 130  and name HB2 ))
      4.000     2.000     2.000 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.62818E-03 ppm1      7.759 ppm2      2.409 CV     1
 ASSI { 2366}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
      3.800     1.800     1.700 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.81346E-03 ppm1      7.759 ppm2      2.111 CV     1
 OR { 2366}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 127  and name HB1 ))
 OR { 2366}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
 ASSI { 2367}
   (( segid "    " and resid 133  and name HN  ))
   (  segid "    " and resid 125  and name HD% )
      5.100     3.200     0.900 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.54552E-03 ppm1      8.800 ppm2      7.420 CV     1
 ASSI { 2369}
   (( segid "    " and resid 133  and name HN  ))
   (  segid "    " and resid 133  and name HD% )
      2.900     1.100     1.100 peak  2369 spectrum    1 weight  0.11000E+01 volume  0.14666E-02 ppm1      8.805 ppm2      6.934 CV     1
 ASSI { 2372}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      4.200     2.200     1.800 peak  2372 spectrum    1 weight  0.11000E+01 volume  0.92144E-03 ppm1      8.790 ppm2      2.719 CV     1
 ASSI { 3567}
   (  segid "    " and resid 86   and name HD2%)
   (  segid "    " and resid 22   and name HD1%)
      5.000     3.200     1.100 peak  3567 spectrum    1 weight  0.10000E+01 volume  0.48683E-03 ppm1      0.641 ppm2     -0.445 CV     1
! ASSI { 4530}
!   (  segid "    " and resid 86   and name HD2%)
!   (  segid "    " and resid 22   and name HD2%)
!      4.900     2.900     1.100 peak  4530 spectrum    1 weight  0.10000E+01 volume  0.48683E-03 ppm1      0.641 ppm2     -0.014 CV     1
 ASSI { 2378}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 137  and name HN ))
      4.500     2.500     1.000 peak  2378 spectrum    1 weight  0.11000E+01 volume  0.31418E-03 ppm1      8.827 ppm2      9.781 CV     1
 ASSI { 2379}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HB1 ))
      3.900     1.900     1.900 peak  2379 spectrum    1 weight  0.11000E+01 volume  0.17543E-02 ppm1      8.826 ppm2      3.772 CV     1
 ASSI { 2381}
   (( segid "    " and resid 136  and name HE1 ))
   (  segid "    " and resid 108  and name HE% )
      5.000     3.100     1.000 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.15013E-03 ppm1      9.779 ppm2      6.484 CV     1
 ASSI { 2382}
   (( segid "    " and resid 136  and name HE1 ))
   (( segid "    " and resid 119  and name HN  ))
      4.500     2.500     1.500 peak  2382 spectrum    1 weight  0.11000E+01 volume  0.34215E-03 ppm1      9.790 ppm2      8.247 CV     1
 ASSI { 2386}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HN  ))
      4.800     2.800     1.200 peak  2386 spectrum    1 weight  0.11000E+01 volume  0.31294E-03 ppm1      9.342 ppm2      9.110 CV     1
 ASSI { 2391}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 141  and name HN  ))
      2.800     1.000     0.700 peak  2391 spectrum    1 weight  0.11000E+01 volume  0.46671E-02 ppm1      7.530 ppm2      7.114 CV     1
 ASSI { 2393}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 142  and name HB1 ))
      5.200     3.400     0.800 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.40973E-03 ppm1      7.117 ppm2      3.365 CV     1
 ASSI { 2396}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      3.700     1.700     1.700 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.44419E-03 ppm1      7.123 ppm2      4.426 CV     1
 ASSI { 2399}
   (( segid "    " and resid 143  and name HN  ))
   (  segid "    " and resid 20   and name HE% )
      5.000     3.200     1.000 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.49049E-03 ppm1      8.975 ppm2      6.807 CV     1
 ASSI { 2404}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 20   and name HD% )
      5.000     3.100     1.000 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.48649E-03 ppm1      8.839 ppm2      7.440 CV     1
 ASSI { 2407}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.700     3.700     2.300 peak  2407 spectrum    1 weight  0.11000E+01 volume  0.94887E-03 ppm1      9.631 ppm2      3.740 CV     1
 ASSI { 2408}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      4.500     2.500     1.500 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.37523E-03 ppm1      8.905 ppm2      3.679 CV     1
 ASSI { 2409}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      4.200     2.200     1.800 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.61255E-03 ppm1      8.498 ppm2      1.851 CV     1
 OR { 2409}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
 ASSI { 2412}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.200     1.300     1.300 peak  2412 spectrum    1 weight  0.11000E+01 volume  0.34393E-02 ppm1      8.091 ppm2      8.490 CV     1
 ASSI { 2414}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      3.200     1.300     1.300 peak  2414 spectrum    1 weight  0.11000E+01 volume  0.34393E-02 ppm1      8.490 ppm2      8.091 CV     1
 ASSI { 2416}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      3.000     1.100     1.100 peak  2416 spectrum    1 weight  0.11000E+01 volume  0.18731E-02 ppm1      8.467 ppm2      2.273 CV     1
 ASSI { 2418}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HD22))
      5.000     3.100     1.000 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.46812E-03 ppm1      8.388 ppm2      6.950 CV     1
 ASSI { 2419}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.900     1.100     1.100 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.23618E-02 ppm1      8.394 ppm2      4.799 CV     1
 ASSI { 2424}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 75   and name HD1 ))
      4.800     2.800     1.200 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.78356E-03 ppm1      8.169 ppm2      1.631 CV     1
 OR { 2424}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 75   and name HD2 ))
 ASSI { 2425}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.500     2.500     1.000 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.38060E-03 ppm1      8.838 ppm2      4.250 CV     1
 ASSI { 2426}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.600     1.600     1.600 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.32753E-03 ppm1      8.850 ppm2      2.646 CV     1
 ASSI { 2431}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 20   and name HD% )
      3.800     1.800     1.800 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.65058E-03 ppm1      8.221 ppm2      7.449 CV     1
 ASSI { 2432}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HD21))
      5.000     3.100     1.000 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.48478E-03 ppm1      8.221 ppm2      7.317 CV     1
 ASSI { 2433}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.600     0.900     0.900 peak  2433 spectrum    1 weight  0.11000E+01 volume  0.24657E-02 ppm1      8.214 ppm2      4.387 CV     1
 ASSI { 2434}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      4.200     2.200     1.800 peak  2434 spectrum    1 weight  0.11000E+01 volume  0.60604E-03 ppm1      8.212 ppm2      3.950 CV     1
 ASSI { 2438}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HD21))
      4.600     2.700     1.400 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.40928E-03 ppm1      7.753 ppm2      7.320 CV     1
 ASSI { 2440}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      3.700     1.700     1.700 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.32352E-03 ppm1      6.736 ppm2      3.179 CV     1
 ASSI { 2441}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      5.100     3.300     0.900 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.50460E-03 ppm1      6.745 ppm2      0.867 CV     1
 ASSI { 2442}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.000     2.200     2.000 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.31251E-03 ppm1      8.725 ppm2      8.215 CV     1
 ASSI { 2443}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.600     1.700     1.700 peak  2443 spectrum    1 weight  0.11000E+01 volume  0.81281E-03 ppm1      7.877 ppm2      8.217 CV     1
 ASSI { 2446}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HB  ))
      5.100     3.300     0.900 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.68056E-03 ppm1      7.817 ppm2      4.324 CV     1
 ASSI { 2449}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HE% )
      5.500     3.800     0.500 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.29254E-03 ppm1      9.292 ppm2      6.813 CV     1
 ASSI { 2451}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.700     1.700     1.700 peak  2451 spectrum    1 weight  0.11000E+01 volume  0.32385E-03 ppm1      9.297 ppm2      4.736 CV     1
 ASSI { 2453}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 84   and name HD2%)
      6.000     5.000     0.000 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.42742E-03 ppm1      9.303 ppm2      0.438 CV     1
 ASSI { 2454}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 84   and name HD1%)
      6.000     6.000     0.000 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.22128E-03 ppm1      9.306 ppm2      0.183 CV     1
 ASSI { 2456}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
      3.800     1.800     1.800 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.55522E-03 ppm1      8.572 ppm2      0.933 CV     1
 ASSI { 2458}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 84   and name HD2%)
      5.600     3.900     0.400 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.31206E-03 ppm1      8.573 ppm2      0.441 CV     1
 ASSI { 2459}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      4.600     2.700     1.400 peak  2459 spectrum    1 weight  0.11000E+01 volume  0.65598E-03 ppm1      8.202 ppm2      8.588 CV     1
 ASSI { 2461}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      5.200     3.300     0.800 peak  2461 spectrum    1 weight  0.11000E+01 volume  0.33335E-03 ppm1      8.201 ppm2      2.192 CV     1
 ASSI { 2466}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      4.900     3.000     1.100 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.24378E-03 ppm1      8.870 ppm2      2.925 CV     1
 ASSI { 2471}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
      4.200     2.200     1.800 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.30523E-03 ppm1      7.911 ppm2      3.831 CV     1
 ASSI { 2473}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.600     2.600     1.400 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.52708E-03 ppm1      7.582 ppm2      8.227 CV     1
 ASSI { 2492}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.400     0.700     0.700 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.53700E-02 ppm1      9.197 ppm2      2.062 CV     1
 OR { 2492}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 2493}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.600     0.800     0.800 peak  2493 spectrum    1 weight  0.11000E+01 volume  0.29243E-02 ppm1      9.198 ppm2      4.012 CV     1
 ASSI { 2494}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.700     2.800     1.300 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.47801E-03 ppm1      9.192 ppm2      7.365 CV     1
 ASSI { 2495}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      4.800     2.900     1.200 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.59954E-03 ppm1      9.197 ppm2      1.458 CV     1
 ASSI { 2496}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HD1 ))
      5.700     4.000     0.300 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.34231E-03 ppm1      9.200 ppm2      2.895 CV     1
 ASSI { 2497}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HD1 ))
      5.400     3.600     0.600 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.34505E-03 ppm1      8.209 ppm2      2.885 CV     1
 ASSI { 2502}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      5.300     3.500     0.700 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.22054E-03 ppm1      9.190 ppm2      8.471 CV     1
 ASSI { 2505}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.300     1.400     1.400 peak  2505 spectrum    1 weight  0.11000E+01 volume  0.42198E-03 ppm1      9.198 ppm2      5.191 CV     1
 ASSI { 2509}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      4.800     2.800     1.200 peak  2509 spectrum    1 weight  0.11000E+01 volume  0.43906E-03 ppm1      8.326 ppm2      9.350 CV     1
 ASSI { 2510}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      5.200     3.300     0.800 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.21109E-03 ppm1      8.316 ppm2      9.081 CV     1
 ASSI { 2511}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      5.600     3.900     0.400 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.28873E-03 ppm1      8.327 ppm2      1.871 CV     1
 ASSI { 2512}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
      5.100     3.300     0.900 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.60962E-03 ppm1      8.323 ppm2      0.615 CV     1
 ASSI { 2513}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      3.900     1.900     1.900 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.26161E-02 ppm1      8.332 ppm2      0.904 CV     1
 ASSI { 2515}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.800     1.800     2.200 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.19686E-02 ppm1      8.220 ppm2      8.392 CV     1
 ASSI { 2518}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      5.200     3.400     0.800 peak  2518 spectrum    1 weight  0.10000E+01 volume  0.42624E-03 ppm1      8.231 ppm2      0.917 CV     1
 OR { 2518}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
 ASSI { 2521}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
      5.500     3.500     0.500 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.34935E-03 ppm1      8.153 ppm2      0.617 CV     1
 ASSI { 2527}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      4.200     2.200     1.800 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.35789E-03 ppm1      8.271 ppm2      2.194 CV     1
 ASSI { 2530}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HD22))
      5.400     3.700     0.600 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.32592E-03 ppm1      8.318 ppm2      7.587 CV     1
 ASSI { 2531}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HD21))
      5.000     3.100     1.000 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.21225E-03 ppm1      8.307 ppm2      6.839 CV     1
 ASSI { 2539}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 61   and name HG2%)
      4.100     2.100     1.900 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.49950E-03 ppm1      8.164 ppm2      0.542 CV     1
 ASSI { 2540}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      4.600     2.600     1.400 peak  2540 spectrum    1 weight  0.11000E+01 volume  0.36698E-03 ppm1      8.874 ppm2      9.097 CV     1
 ASSI { 2542}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG12))
      5.000     3.100     1.000 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.36147E-03 ppm1      8.889 ppm2      1.413 CV     1
 OR { 2542}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG11))
 ASSI { 2545}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      4.900     3.000     1.100 peak  2545 spectrum    1 weight  0.11000E+01 volume  0.29790E-03 ppm1      9.363 ppm2      8.123 CV     1
 ASSI { 2546}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 31   and name HD% )
      4.000     2.000     2.000 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.46413E-03 ppm1      9.362 ppm2      7.292 CV     1
 ASSI { 2554}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      3.700     1.800     1.800 peak  2554 spectrum    1 weight  0.11000E+01 volume  0.43202E-03 ppm1      8.121 ppm2      2.338 CV     1
 ASSI { 2555}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 58   and name HB% )
      3.700     1.700     1.700 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.31486E-03 ppm1      8.112 ppm2      0.272 CV     1
 ASSI { 2561}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      3.900     1.900     1.900 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.47466E-03 ppm1      7.275 ppm2      3.993 CV     1
 ASSI { 2563}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 73   and name HD2%)
      4.500     2.500     1.500 peak  2563 spectrum    1 weight  0.10000E+01 volume  0.71486E-03 ppm1      7.270 ppm2      0.836 CV     1
 ASSI { 2565}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 58   and name HB% )
      5.300     3.500     0.700 peak  2565 spectrum    1 weight  0.10000E+01 volume  0.44868E-03 ppm1      7.273 ppm2      0.268 CV     1
 ASSI { 2567}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      4.500     2.500     1.500 peak  2567 spectrum    1 weight  0.11000E+01 volume  0.82920E-03 ppm1      8.457 ppm2      8.682 CV     1
 ASSI { 2569}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      5.400     3.600     0.600 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.23688E-03 ppm1      8.683 ppm2      9.645 CV     1
 ASSI { 2570}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 44   and name HD21))
      4.900     3.000     1.100 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.25029E-03 ppm1      8.455 ppm2      7.601 CV     1
 ASSI { 2572}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.500     2.600     1.500 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.45207E-03 ppm1      8.214 ppm2      4.010 CV     1
 ASSI { 2573}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      3.900     1.900     1.900 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.68622E-03 ppm1      8.214 ppm2      1.040 CV     1
 ASSI { 2574}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.500     1.000 peak  2574 spectrum    1 weight  0.11000E+01 volume  0.12195E-02 ppm1      8.167 ppm2      9.110 CV     1
 ASSI { 2575}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      4.000     2.200     2.000 peak  2575 spectrum    1 weight  0.11000E+01 volume  0.22191E-02 ppm1      8.165 ppm2      8.353 CV     1
 OR { 2575}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2576}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      4.200     2.200     1.800 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.53411E-03 ppm1      8.163 ppm2      3.818 CV     1
 ASSI { 2585}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.100     1.200     1.200 peak  2585 spectrum    1 weight  0.11000E+01 volume  0.53347E-03 ppm1      6.899 ppm2      4.601 CV     1
 ASSI { 2587}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.800     1.800     1.800 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.10955E-02 ppm1      9.785 ppm2      4.260 CV     1
 ASSI { 2592}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 61   and name HG2%)
      4.100     2.100     1.900 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.39121E-03 ppm1      8.550 ppm2      0.545 CV     1
 ASSI { 2595}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      4.200     2.200     1.800 peak  2595 spectrum    1 weight  0.11000E+01 volume  0.86207E-03 ppm1      8.394 ppm2      8.994 CV     1
 ASSI { 2598}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.100     1.200     1.200 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.80159E-03 ppm1      8.388 ppm2      4.816 CV     1
 ASSI { 2604}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 61   and name HG2%)
      4.600     2.700     1.400 peak  2604 spectrum    1 weight  0.10000E+01 volume  0.48044E-03 ppm1      8.997 ppm2      0.531 CV     1
 ASSI { 2605}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
      5.200     3.400     0.800 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.29826E-03 ppm1      8.468 ppm2      1.559 CV     1
 ASSI { 2608}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG  ))
      3.700     1.700     1.700 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.65222E-03 ppm1      8.468 ppm2      1.063 CV     1
 ASSI { 2610}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      4.400     2.400     1.600 peak  2610 spectrum    1 weight  0.11000E+01 volume  0.33734E-03 ppm1      8.636 ppm2      9.770 CV     1
 ASSI { 2612}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      4.400     2.400     1.600 peak  2612 spectrum    1 weight  0.11000E+01 volume  0.52879E-03 ppm1      8.435 ppm2      8.839 CV     1
 ASSI { 2613}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.200     1.300     1.300 peak  2613 spectrum    1 weight  0.10000E+01 volume  0.94255E-03 ppm1      8.436 ppm2      4.502 CV     1
 ASSI { 2614}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA1 ))
      2.800     2.800     3.200 peak  2614 spectrum    1 weight  0.11000E+01 volume  0.16683E-02 ppm1      8.443 ppm2      4.014 CV     1
 OR { 2614}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA2 ))
 ASSI { 2616}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HB% )
      4.500     2.500     1.500 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.70745E-03 ppm1      8.429 ppm2      1.318 CV     1
 ASSI { 2618}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      5.000     3.100     1.000 peak  2618 spectrum    1 weight  0.11000E+01 volume  0.44868E-03 ppm1      8.829 ppm2      7.760 CV     1
 ASSI { 2627}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.300     1.400     1.400 peak  2627 spectrum    1 weight  0.11000E+01 volume  0.42757E-03 ppm1      6.929 ppm2      4.578 CV     1
 ASSI { 2630}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      4.500     2.500     1.500 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.53240E-03 ppm1      6.917 ppm2      1.488 CV     1
 ASSI { 2634}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.800     1.800     1.500 peak  2634 spectrum    1 weight  0.10000E+01 volume  0.47748E-03 ppm1      8.061 ppm2      4.859 CV     1
 ASSI { 2642}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      5.000     3.200     1.000 peak  2642 spectrum    1 weight  0.11000E+01 volume  0.31402E-03 ppm1      8.892 ppm2      9.635 CV     1
 ASSI { 2644}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      4.500     2.600     1.500 peak  2644 spectrum    1 weight  0.11000E+01 volume  0.60764E-03 ppm1      8.880 ppm2      8.704 CV     1
 ASSI { 2652}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      5.100     3.300     0.900 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.43366E-03 ppm1      6.826 ppm2      1.993 CV     1
 ASSI { 2654}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      4.400     2.400     1.600 peak  2654 spectrum    1 weight  0.10000E+01 volume  0.35987E-03 ppm1      8.299 ppm2      2.394 CV     1
 ASSI { 2657}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      5.000     3.100     1.000 peak  2657 spectrum    1 weight  0.10000E+01 volume  0.24406E-03 ppm1      9.066 ppm2      9.649 CV     1
 ASSI { 2658}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 20   and name HE% )
      4.500     2.600     1.500 peak  2658 spectrum    1 weight  0.10000E+01 volume  0.49049E-03 ppm1      9.055 ppm2      6.821 CV     1
 ASSI { 2660}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.000     2.000     2.000 peak  2660 spectrum    1 weight  0.11000E+01 volume  0.34795E-03 ppm1      9.050 ppm2      4.913 CV     1
 ASSI { 2663}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      4.500     2.500     1.500 peak  2663 spectrum    1 weight  0.10000E+01 volume  0.44077E-03 ppm1      8.499 ppm2      8.776 CV     1
 ASSI { 2666}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.900     1.900     1.900 peak  2666 spectrum    1 weight  0.11000E+01 volume  0.49300E-03 ppm1      8.501 ppm2      5.161 CV     1
 ASSI { 2669}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
      3.700     1.700     1.700 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.41004E-03 ppm1      8.492 ppm2      2.150 CV     1
 ASSI { 2672}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      5.000     3.100     1.000 peak  2672 spectrum    1 weight  0.11000E+01 volume  0.40019E-03 ppm1      9.214 ppm2      9.426 CV     1
 ASSI { 2675}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HB1 ))
      3.900     1.900     1.900 peak  2675 spectrum    1 weight  0.11000E+01 volume  0.61738E-03 ppm1      9.121 ppm2      3.283 CV     1
 ASSI { 2676}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      3.500     1.600     1.600 peak  2676 spectrum    1 weight  0.11000E+01 volume  0.53328E-03 ppm1      9.132 ppm2      8.842 CV     1
 ASSI { 2689}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      3.700     1.700     1.700 peak  2689 spectrum    1 weight  0.11000E+01 volume  0.11262E-02 ppm1      8.447 ppm2      2.563 CV     1
 ASSI { 2691}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      4.500     2.500     1.500 peak  2691 spectrum    1 weight  0.10000E+01 volume  0.59493E-03 ppm1      8.564 ppm2      4.482 CV     1
 ASSI { 2695}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HG1 ))
      4.500     2.500     1.500 peak  2695 spectrum    1 weight  0.11000E+01 volume  0.52031E-03 ppm1      8.465 ppm2      2.520 CV     1
 ASSI { 2696}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HG2 ))
      4.500     2.600     1.500 peak  2696 spectrum    1 weight  0.11000E+01 volume  0.90775E-03 ppm1      8.460 ppm2      2.429 CV     1
 ASSI { 2697}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      4.500     2.500     1.500 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.65990E-03 ppm1      8.483 ppm2      2.343 CV     1
 ASSI { 2699}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      3.000     3.000     3.000 peak  2699 spectrum    1 weight  0.11000E+01 volume  0.10921E-02 ppm1      8.483 ppm2      4.171 CV     1
 ASSI { 2702}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      4.700     2.800     1.300 peak  2702 spectrum    1 weight  0.11000E+01 volume  0.44792E-03 ppm1      9.336 ppm2      9.095 CV     1
 ASSI { 2705}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 108  and name HE% )
      5.100     3.300     0.900 peak  2705 spectrum    1 weight  0.10000E+01 volume  0.35051E-03 ppm1      9.418 ppm2      6.466 CV     1
 ASSI { 2706}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      4.800     2.900     1.200 peak  2706 spectrum    1 weight  0.11000E+01 volume  0.32328E-03 ppm1      9.415 ppm2      5.631 CV     1
 ASSI { 2710}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 134  and name HN  ))
      4.400     2.400     1.600 peak  2710 spectrum    1 weight  0.11000E+01 volume  0.36879E-03 ppm1      7.654 ppm2      9.085 CV     1
 ASSI { 2711}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      4.600     2.600     1.400 peak  2711 spectrum    1 weight  0.11000E+01 volume  0.28309E-03 ppm1      7.672 ppm2      9.427 CV     1
 ASSI { 2714}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      5.300     3.500     0.700 peak  2714 spectrum    1 weight  0.11000E+01 volume  0.38151E-03 ppm1      9.659 ppm2      8.498 CV     1
 ASSI { 2715}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 108  and name HE% )
      5.000     3.100     1.000 peak  2715 spectrum    1 weight  0.10000E+01 volume  0.46207E-03 ppm1      9.670 ppm2      6.473 CV     1
 ASSI { 2717}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      4.500     2.600     1.500 peak  2717 spectrum    1 weight  0.11000E+01 volume  0.35674E-03 ppm1      8.347 ppm2      9.668 CV     1
 ASSI { 2718}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 108  and name HD% )
      4.600     2.700     1.400 peak  2718 spectrum    1 weight  0.10000E+01 volume  0.60098E-03 ppm1      8.345 ppm2      6.733 CV     1
 ASSI { 2720}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HB1 ))
      4.000     2.000     2.000 peak  2720 spectrum    1 weight  0.11000E+01 volume  0.44328E-03 ppm1      8.344 ppm2      2.979 CV     1
 ASSI { 2722}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      4.400     2.400     1.600 peak  2722 spectrum    1 weight  0.11000E+01 volume  0.86724E-03 ppm1      9.153 ppm2      6.968 CV     1
 ASSI { 2723}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      4.500     2.500     1.10 peak  2723 spectrum    1 weight  0.11000E+01 volume  0.31398E-03 ppm1      9.140 ppm2      4.892 CV     1
 ASSI { 2724}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 142  and name HN  ))
      5.000     3.200     1.000 peak  2724 spectrum    1 weight  0.11000E+01 volume  0.21949E-03 ppm1      6.980 ppm2      7.532 CV     1
 ASSI { 2727}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 138  and name HA  ))
      4.400     2.500     1.600 peak  2727 spectrum    1 weight  0.11000E+01 volume  0.21036E-03 ppm1      6.971 ppm2      5.208 CV     1
 ASSI { 2738}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      5.200     3.400     0.800 peak  2738 spectrum    1 weight  0.11000E+01 volume  0.40486E-03 ppm1      7.716 ppm2      9.185 CV     1
 ASSI { 2753}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      3.800     1.800     1.800 peak  2753 spectrum    1 weight  0.11000E+01 volume  0.70600E-03 ppm1      8.242 ppm2      2.847 CV     1
 ASSI { 2754}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
      2.700     0.900     0.900 peak  2754 spectrum    1 weight  0.10000E+01 volume  0.37972E-02 ppm1      8.254 ppm2      2.436 CV     1
 OR { 2754}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HG1 ))
 ASSI { 2755}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
      3.300     1.400     1.400 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.18152E-02 ppm1      8.256 ppm2      2.066 CV     1
 ASSI { 2756}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      3.300     1.400     1.400 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.27468E-02 ppm1      8.250 ppm2      1.751 CV     1
 ASSI { 2761}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      2.800     1.000     1.000 peak  2761 spectrum    1 weight  0.11000E+01 volume  0.18805E-02 ppm1      8.740 ppm2      4.300 CV     1
 ASSI { 2766}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      5.200     3.400     0.800 peak  2766 spectrum    1 weight  0.11000E+01 volume  0.29588E-03 ppm1      8.874 ppm2      8.533 CV     1
 ASSI { 2773}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      3.800     1.800     1.800 peak  2773 spectrum    1 weight  0.11000E+01 volume  0.30915E-03 ppm1      8.830 ppm2      4.904 CV     1
 ASSI { 2787}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HD2 ))
      3.400     1.500     1.500 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.42190E-03 ppm1      8.373 ppm2      3.652 CV     1
 ASSI { 2788}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 148  and name HD1 ))
      4.600     2.700     1.400 peak  2788 spectrum    1 weight  0.10000E+01 volume  0.77618E-03 ppm1      8.370 ppm2      3.158 CV     1
 OR { 2788}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 148  and name HD2 ))
 ASSI { 2790}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HB1 ))
      3.500     1.500     1.500 peak  2790 spectrum    1 weight  0.11000E+01 volume  0.39771E-02 ppm1      8.188 ppm2      1.970 CV     1
 ASSI { 2797}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HB2 ))
      3.200     1.300     1.300 peak  2797 spectrum    1 weight  0.11000E+01 volume  0.91429E-02 ppm1      8.579 ppm2      1.936 CV     1
 OR { 2797}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HB1 ))
 ASSI { 2801}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      4.500     2.500     1.500 peak  2801 spectrum    1 weight  0.11000E+01 volume  0.58337E-03 ppm1      7.874 ppm2      4.520 CV     1
 ASSI { 2804}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.700     1.700     1.700 peak  2804 spectrum    1 weight  0.11000E+01 volume  0.35962E-03 ppm1      9.204 ppm2      4.774 CV     1
 ASSI { 2806}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     5.000     0.000 peak  2806 spectrum    1 weight  0.11000E+01 volume  0.20733E-03 ppm1      9.347 ppm2      4.783 CV     1
 ASSI { 2818}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.800     1.000     0.600 peak  2818 spectrum    1 weight  0.11000E+01 volume  0.45656E-02 ppm1      8.396 ppm2      8.324 CV     1
 ASSI { 2822}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      2.900     2.900     3.100 peak  2822 spectrum    1 weight  0.11000E+01 volume  0.65450E-02 ppm1      8.169 ppm2      4.380 CV     1
 ASSI { 2830}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  2830 spectrum    1 weight  0.11000E+01 volume  0.15254E-02 ppm1      8.498 ppm2      3.725 CV     1
 ASSI { 2847}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      4.800     2.800     1.200 peak  2847 spectrum    1 weight  0.10000E+01 volume  0.41125E-03 ppm1      8.418 ppm2      1.802 CV     1
 ASSI { 2856}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      4.500     2.500     1.500 peak  2856 spectrum    1 weight  0.11000E+01 volume  0.30858E-03 ppm1      9.651 ppm2      7.743 CV     1
 ASSI { 2858}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.900     0.000 peak  2858 spectrum    1 weight  0.10000E+01 volume  0.25806E-03 ppm1      6.899 ppm2      7.744 CV     1
 ASSI { 2868}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      4.800     2.900     1.200 peak  2868 spectrum    1 weight  0.10000E+01 volume  0.31239E-03 ppm1      9.649 ppm2      8.545 CV     1
 ASSI { 2871}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      4.400     2.400     1.600 peak  2871 spectrum    1 weight  0.10000E+01 volume  0.28058E-03 ppm1      8.999 ppm2      5.643 CV     1
 ASSI { 2872}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      5.400     3.600     0.600 peak  2872 spectrum    1 weight  0.11000E+01 volume  0.22677E-03 ppm1      8.484 ppm2      9.011 CV     1
 ASSI { 2873}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      5.100     3.200     0.900 peak  2873 spectrum    1 weight  0.10000E+01 volume  0.30837E-03 ppm1      8.473 ppm2      8.752 CV     1
 ASSI { 2874}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.400     2.400     1.600 peak  2874 spectrum    1 weight  0.10000E+01 volume  0.24713E-03 ppm1      8.620 ppm2      6.888 CV     1
 ASSI { 2876}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.400     2.400     1.600 peak  2876 spectrum    1 weight  0.11000E+01 volume  0.18437E-03 ppm1      8.424 ppm2      6.903 CV     1
 ASSI { 2880}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      4.800     2.900     1.200 peak  2880 spectrum    1 weight  0.10000E+01 volume  0.23360E-03 ppm1      8.431 ppm2      4.796 CV     1
 ASSI { 2881}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 91   and name HA2 ))
      3.800     1.800     2.200 peak  2881 spectrum    1 weight  0.10000E+01 volume  0.32170E-03 ppm1      8.420 ppm2      3.480 CV     1
 ASSI { 2893}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      4.000     2.200     1.700 peak  2893 spectrum    1 weight  0.11000E+01 volume  0.72209E-03 ppm1      7.746 ppm2      4.032 CV     1
 ASSI { 2894}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HG2 ))
      4.900     3.000     1.100 peak  2894 spectrum    1 weight  0.10000E+01 volume  0.54883E-03 ppm1      7.749 ppm2      1.672 CV     1
 ASSI { 2898}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HG1 ))
      3.400     1.500     1.500 peak  2898 spectrum    1 weight  0.10000E+01 volume  0.51684E-03 ppm1      6.933 ppm2      1.379 CV     1
 ASSI { 2899}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HD2%)
      3.400     1.500     1.500 peak  2899 spectrum    1 weight  0.10000E+01 volume  0.32630E-03 ppm1      6.922 ppm2      0.835 CV     1
 ASSI { 2904}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      4.400     4.400     1.600 peak  2904 spectrum    1 weight  0.11000E+01 volume  0.48695E-03 ppm1      8.301 ppm2      2.980 CV     1
 OR { 2904}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 108  and name HB1 ))
 ASSI { 2908}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.300     1.400     1.400 peak  2908 spectrum    1 weight  0.11000E+01 volume  0.55066E-03 ppm1      8.491 ppm2      4.676 CV     1
 ASSI { 2916}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      3.900     1.900     1.900 peak  2916 spectrum    1 weight  0.10000E+01 volume  0.29317E-03 ppm1      8.744 ppm2      4.919 CV     1
 ASSI { 2918}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.900     1.900     1.900 peak  2918 spectrum    1 weight  0.10000E+01 volume  0.30542E-03 ppm1      8.745 ppm2      4.560 CV     1
 ASSI { 2923}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HE2 ))
      5.600     4.000     0.400 peak  2923 spectrum    1 weight  0.10000E+01 volume  0.37680E-03 ppm1      8.234 ppm2      3.038 CV     1
 OR { 2923}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HE1 ))
 ASSI { 2924}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      3.200     1.300     1.300 peak  2924 spectrum    1 weight  0.11000E+01 volume  0.23425E-02 ppm1      8.569 ppm2      2.026 CV     1
 ASSI { 2932}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      4.900     3.000     1.100 peak  2932 spectrum    1 weight  0.10000E+01 volume  0.28257E-03 ppm1      9.348 ppm2      3.962 CV     1
 ASSI { 2934}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      4.100     2.100     1.900 peak  2934 spectrum    1 weight  0.10000E+01 volume  0.24034E-03 ppm1      9.422 ppm2      4.868 CV     1
 ASSI { 2936}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 136  and name HN  ))
      4.400     2.400     1.600 peak  2936 spectrum    1 weight  0.10000E+01 volume  0.57124E-03 ppm1      7.677 ppm2      8.834 CV     1
 ASSI { 2946}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      4.100     2.100     1.900 peak  2946 spectrum    1 weight  0.11000E+01 volume  0.25077E-03 ppm1      8.742 ppm2      4.874 CV     1
 ASSI { 2947}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 134  and name HA  ))
      5.200     3.400     0.800 peak  2947 spectrum    1 weight  0.11000E+01 volume  0.22263E-03 ppm1      8.741 ppm2      5.278 CV     1
 ASSI { 2949}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 122  and name HB1 ))
      5.300     3.600     0.700 peak  2949 spectrum    1 weight  0.11000E+01 volume  0.25337E-03 ppm1      8.551 ppm2      2.963 CV     1
 ASSI { 2953}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 133  and name HN  ))
      4.700     2.800     1.300 peak  2953 spectrum    1 weight  0.10000E+01 volume  0.42563E-03 ppm1      8.524 ppm2      8.764 CV     1
 ASSI { 2957}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HA  ))
      3.700     1.700     1.700 peak  2957 spectrum    1 weight  0.10000E+01 volume  0.56648E-03 ppm1      7.757 ppm2      4.449 CV     1
 ASSI { 2958}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 105  and name HB1 ))
      5.700     4.100     0.300 peak  2958 spectrum    1 weight  0.10000E+01 volume  0.20931E-03 ppm1      8.791 ppm2      3.032 CV     1
 ASSI { 2960}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      4.300     2.300     1.700 peak  2960 spectrum    1 weight  0.10000E+01 volume  0.30112E-03 ppm1      8.796 ppm2      8.541 CV     1
 ASSI { 2965}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      4.700     2.800     1.300 peak  2965 spectrum    1 weight  0.10000E+01 volume  0.28802E-03 ppm1      9.076 ppm2      9.360 CV     1
 ASSI { 2968}
   (( segid "    " and resid 82   and name HE21))
   (( segid "    " and resid 82   and name HG1 ))
      2.800     1.000     1.000 peak  2968 spectrum    1 weight  0.10000E+01 volume  0.26881E-02 ppm1      7.623 ppm2      2.385 CV     1
 OR { 2968}
   (( segid "    " and resid 82   and name HE21))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI { 2969}
   (( segid "    " and resid 4    and name HD21))
   (( segid "    " and resid 4    and name HA  ))
      4.600     4.600     1.400 peak  2969 spectrum    1 weight  0.11000E+01 volume  0.39547E-03 ppm1      6.953 ppm2      4.796 CV     1
 ASSI { 2984}
   (( segid "    " and resid 7    and name HD22))
   (( segid "    " and resid 7    and name HB1 ))
      3.600     3.600     2.400 peak  2984 spectrum    1 weight  0.11000E+01 volume  0.40007E-02 ppm1      7.632 ppm2      2.934 CV     1
 ASSI { 2985}
   (( segid "    " and resid 6    and name HE22))
   (( segid "    " and resid 6    and name HG1 ))
      3.300     3.300     2.700 peak  2985 spectrum    1 weight  0.11000E+01 volume  0.45694E-02 ppm1      7.659 ppm2      2.377 CV     1
 OR { 2985}
   (( segid "    " and resid 6    and name HE22))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI { 2999}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      5.500     3.700     0.500 peak  2999 spectrum    1 weight  0.10000E+01 volume  0.25902E-03 ppm1      8.740 ppm2      2.334 CV     1
 ASSI { 3009}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      4.700     2.700     1.300 peak  3009 spectrum    1 weight  0.10000E+01 volume  0.31541E-03 ppm1      8.644 ppm2      4.169 CV     1
 ASSI { 3011}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HD21))
      5.300     3.500     0.700 peak  3011 spectrum    1 weight  0.10000E+01 volume  0.23404E-03 ppm1      8.640 ppm2      7.622 CV     1
 ASSI { 3016}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HD1 ))
      5.300     3.500     0.700 peak  3016 spectrum    1 weight  0.10000E+01 volume  0.29074E-03 ppm1      8.376 ppm2      3.876 CV     1
 ASSI { 3019}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      5.000     3.200     1.000 peak  3019 spectrum    1 weight  0.10000E+01 volume  0.17262E-03 ppm1      8.049 ppm2      6.957 CV     1
 ASSI { 3020}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      3.600     1.600     1.600 peak  3020 spectrum    1 weight  0.10000E+01 volume  0.43910E-03 ppm1      8.807 ppm2      5.038 CV     1
 ASSI { 3030}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 54   and name HB% )
      4.400     2.500     1.600 peak  3030 spectrum    1 weight  0.10000E+01 volume  0.67146E-03 ppm1      8.167 ppm2      1.438 CV     1
 ASSI { 3037}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      5.000     3.200     1.000 peak  3037 spectrum    1 weight  0.10000E+01 volume  0.46744E-03 ppm1      7.519 ppm2      1.823 CV     1
 ASSI { 3038}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 123  and name HD1%)
      4.400     2.400     1.600 peak  3038 spectrum    1 weight  0.10000E+01 volume  0.61437E-03 ppm1      8.795 ppm2      0.682 CV     1
 OR { 3038}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 123  and name HD2%)
 ASSI { 3041}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
      3.500     1.500     1.500 peak  3041 spectrum    1 weight  0.10000E+01 volume  0.20850E-02 ppm1      8.584 ppm2      2.305 CV     1
 OR { 3041}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
!!Y88 OH
 ASSI { 3495}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 88   and name HH  ))
      3.800     1.800     1.000 peak  3495 spectrum    1 weight  0.10000E+01 volume  0.53946E-03 ppm1      0.865 ppm2      8.321 CV     1
 ASSI {  1146}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 88   and name HH  ))
      2.800     1.000     1.500 peak   1146 spectrum   1 weight  0.10000E+01 volume  0.27052E-02 ppm1      4.279 ppm2      8.299 CV     1
 ASSI {  2968}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 88   and name HH  ))
      3.000     1.200     1.500 peak   2968 spectrum   1 weight  0.10000E+01 volume  0.27052E-02 ppm1      4.279 ppm2      8.299 CV     1
 ASSI { 1567}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 31   and name HN  ))
      3.400     3.400     2.600 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.17857E-02 ppm1      0.544 ppm2      9.226 CV     1
 OR { 1567}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 88   and name HH  ))
 ASSI { 3706}
   (  segid "    " and resid 46   and name HA  )
   (( segid "    " and resid 88   and name HH  ))
      3.400     3.400     2.600 peak  3706 spectrum    1 weight  0.10000E+01 volume  0.17857E-02 ppm1      0.544 ppm2      9.226 CV     1
 ASSI { 1859}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
      3.100     1.200     1.200 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.54119E-02 ppm1      8.484 ppm2      2.377 CV     1
 ASSI { 1881}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     0.700 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.45663E-02 ppm1      8.690 ppm2      4.266 CV     1
 ASSI { 1882}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.200     1.400     1.000 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.45663E-02 ppm1      8.690 ppm2      4.266 CV     1
 ASSI { 2362}
   (( segid "    " and resid 130  and name HN  ))
   (  segid "    " and resid 125  and name HE% )
      4.000     2.200     1.500 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.71703E-03 ppm1      7.762 ppm2      7.274 CV     1
 ASSI { 2365}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
      4.500     2.600     1.500 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.48813E-03 ppm1      7.762 ppm2      2.262 CV     1
 ASSI { 1234}
   (  segid "    " and resid 140  and name HD2%)
   (( segid "    " and resid 140  and name HA  ))
      3.300     1.400     1.400 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.18705E-02 ppm1      0.949 ppm2      4.252 CV     1
 ASSI { 1606}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HG2 ))
      4.100     2.100     1.900 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.18251E-02 ppm1      4.253 ppm2      2.247 CV     1
 ASSI { 3613}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.300     1.500     0.800 peak  3613 spectrum    1 weight  0.10000E+01 volume  0.64552E-03 ppm1      2.296 ppm2      4.387 CV     1
 ASSI { 4639}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HD21))
      3.300     1.500     0.800 peak  4639 spectrum    1 weight  0.10000E+01 volume  0.64552E-03 ppm1      2.296 ppm2      7.302 CV     1
 ASSI { 4640}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 20   and name HE% ))
      3.300     1.500     2.000 peak  4640 spectrum    1 weight  0.10000E+01 volume  0.64552E-03 ppm1      2.296 ppm2      7.302 CV     1
 ASSI { 4641}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.000     1.200     1.000 peak  4641 spectrum    1 weight  0.10000E+01 volume  0.64552E-03 ppm1      2.296 ppm2      7.302 CV     1
 ASSI { 4645}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 20   and name HE% ))
      3.800     1.500     2.000 peak  4645 spectrum    1 weight  0.10000E+01 volume  0.64552E-03 ppm1      2.296 ppm2      7.302 CV     1
 ASSI { 4375}
   (( segid "    " and resid 95   and name HG2 ))
   (( segid "    " and resid 96   and name HN  ))
      4.100     2.100     1.900 peak  4375 spectrum    1 weight  0.10000E+01 volume  0.74974E-03 ppm1      2.239 ppm2      7.086 CV     1
 ASSI { 4376}
   (( segid "    " and resid 95   and name HG1 ))
   (( segid "    " and resid 96   and name HN  ))
      4.900     3.000     1.100 peak  4376 spectrum    1 weight  0.10000E+01 volume  0.65214E-03 ppm1      2.138 ppm2      7.081 CV     1
 ASSI { 1392}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.900     1.900     1.900 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.68698E-03 ppm1      7.072 ppm2      4.265 CV     1
 ASSI { 1548}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.600     1.600     1.600 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.16651E-02 ppm1      8.564 ppm2      4.361 CV     1
 ASSI { 3056}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 11   and name HG1%)
      3.500     1.500     1.500 peak  3056 spectrum    1 weight  0.10000E+01 volume  0.13411E-02 ppm1      5.502 ppm2      0.678 CV     1
 ASSI { 3557}
   (  segid "    " and resid 86   and name HD1%)
   (  segid "    " and resid 86   and name HD2%)
      2.200     0.600     0.600 peak  3557 spectrum    1 weight  0.10000E+01 volume  0.19071E-01 ppm1      0.513 ppm2      0.676 CV     1
 ASSI { 4170}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 11   and name HN  ))
      5.000     3.200     1.000 peak  4170 spectrum    1 weight  0.10000E+01 volume  0.43670E-03 ppm1      0.435 ppm2      8.853 CV     1
 ASSI { 2436}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 11   and name HG2%)
      5.000     3.200     1.000 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.37668E-03 ppm1      8.215 ppm2      1.278 CV     1
 ASSI { 2808}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 12   and name HG2%)
      3.400     1.500     1.500 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.10852E-02 ppm1      4.252 ppm2      0.861 CV     1
 ASSI { 3049}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
      2.800     1.000     1.000 peak  3049 spectrum    1 weight  0.10000E+01 volume  0.20457E-02 ppm1      5.494 ppm2      4.258 CV     1
 ASSI { 2444}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 13   and name HD21))
      5.300     3.500     0.700 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.33768E-03 ppm1      7.874 ppm2      7.322 CV     1
 ASSI { 3036}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 90   and name HB1 ))
      4.800     2.900     1.200 peak  3036 spectrum    1 weight  0.10000E+01 volume  0.39448E-03 ppm1      9.127 ppm2      3.092 CV     1
 ASSI { 2563}
   (( segid "    " and resid 91   and name HA2 ))
   (( segid "    " and resid 91   and name HA1 ))
      2.200     0.600     0.600 peak  2563 spectrum    1 weight  0.10000E+01 volume  0.14673E-02 ppm1      3.460 ppm2      4.047 CV     1
 ASSI { 3593}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 89   and name HN  ))
      4.100     2.100     1.900 peak  3593 spectrum    1 weight  0.10000E+01 volume  0.79760E-03 ppm1      2.213 ppm2      9.128 CV     1
 ASSI { 3595}
   (( segid "    " and resid 89   and name HG1 ))
   (( segid "    " and resid 89   and name HN  ))
      3.300     1.500     0.800 peak  3595 spectrum    1 weight  0.10000E+01 volume  0.12355E-02 ppm1      2.290 ppm2      9.135 CV     1
 ASSI { 1736}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      3.000     1.200     1.200 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.20856E-02 ppm1      9.120 ppm2      2.119 CV     1
 ASSI { 1371}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 96   and name HA  ))
      2.200     0.600     0.600 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.15984E-01 ppm1      1.250 ppm2      3.996 CV     1
 ASSI { 1374}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 11   and name HB  ))
      2.200     0.600     0.600 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.81513E-02 ppm1      1.268 ppm2      2.245 CV     1
 ASSI { 2953}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 128  and name HG1 ))
      2.800     1.000     1.000 peak  2953 spectrum    1 weight  0.10000E+01 volume  0.31052E-02 ppm1      4.015 ppm2      2.395 CV     1
 OR { 2953}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 128  and name HG2 ))
 ASSI { 1201}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      3.300     1.300     1.300 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.16328E-02 ppm1      8.167 ppm2      3.627 CV     1
 ASSI { 1205}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      2.800     1.000     0.700 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.74606E-02 ppm1      8.167 ppm2      2.112 CV     1
 ASSI { 3168}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 67   and name HG2%)
      3.600     1.600     1.400 peak  3168 spectrum    1 weight  0.10000E+01 volume  0.15680E-02 ppm1      3.958 ppm2      1.073 CV     1
 ASSI { 3169}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 67   and name HG2%)
      3.500     1.600     1.600 peak  3169 spectrum    1 weight  0.10000E+01 volume  0.16715E-02 ppm1      3.816 ppm2      1.074 CV     1
 ASSI { 3612}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
      4.400     2.400     1.600 peak  3612 spectrum    1 weight  0.10000E+01 volume  0.55005E-03 ppm1      3.281 ppm2      4.495 CV     1



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET1885           HT1      MET1885  16.239   2.736   6.395
    2    H2   MET1885           HT2      MET1885  16.579   3.327   4.803
    3    H3   MET1885           HT3      MET1885  14.996   3.200   5.371
    4    HA   MET1885           HA       MET1885  16.909   4.976   6.682
    5    HB2  MET1885           HB2      MET1885  16.395   5.566   4.251
    6    HB3  MET1885           HB1      MET1885  14.697   5.589   4.668
    7    HG2  MET1885           HG2      MET1885  15.081   7.481   6.154
    8    HG3  MET1885           HG1      MET1885  16.801   7.432   5.784
    9    HE1  MET1885           HE1      MET1885  16.769   6.787   2.647
   10    HE2  MET1885           HE2      MET1885  17.818   7.996   3.388
   11    HE3  MET1885           HE3      MET1885  16.842   8.421   1.982
   12    H    LYS1886           HN       LYS1886  15.138   6.708   7.837
   13    HA   LYS1886           HA       LYS1886  12.601   5.497   8.245
   14    HB2  LYS1886           HB2      LYS1886  12.673   5.342  10.684
   15    HB3  LYS1886           HB1      LYS1886  13.845   4.267   9.957
   16    HG2  LYS1886           HG2      LYS1886  15.641   5.787  10.567
   17    HG3  LYS1886           HG1      LYS1886  14.466   6.935  11.217
   18    HD2  LYS1886           HD2      LYS1886  13.711   5.196  12.806
   19    HD3  LYS1886           HD1      LYS1886  14.984   4.135  12.208
   20    HE2  LYS1886           HE2      LYS1886  15.710   5.190  14.246
   21    HE3  LYS1886           HE1      LYS1886  16.655   5.814  12.894
   22    HZ1  LYS1886           HZ1      LYS1886  14.315   7.209  14.096
   23    HZ2  LYS1886           HZ2      LYS1886  15.352   7.851  12.933
   24    HZ3  LYS1886           HZ3      LYS1886  15.913   7.533  14.470
   25    H    SER1887           HN       SER1887  11.312   7.092   7.898
   26    HA   SER1887           HA       SER1887  12.038   9.704   8.999
   27    HB2  SER1887           HB2      SER1887  11.406   9.574   6.573
   28    HB3  SER1887           HB1      SER1887   9.789   9.080   7.059
   29    HG   SER1887           HG       SER1887  11.095  11.543   7.554
   30    H    ASN1888           HN       ASN1888   8.903   7.955   8.638
   31    HA   ASN1888           HA       ASN1888   8.274   8.702  11.416
   32    HB2  ASN1888           HB2      ASN1888   6.765   9.732   9.667
   33    HB3  ASN1888           HB1      ASN1888   6.424   8.073   9.152
   34   HD21  ASN1888          HD21      ASN1888   4.211   8.500   9.521
   35   HD22  ASN1888          HD22      ASN1888   3.525   8.452  11.098
   36    H    VAL1889           HN       VAL1889   8.467   6.981  12.646
   37    HA   VAL1889           HA       VAL1889   8.275   4.357  11.372
   38    HB   VAL1889           HB       VAL1889   9.483   4.939  14.021
   39   HG11  VAL1889          HG11      VAL1889   8.842   2.621  13.725
   40   HG12  VAL1889          HG12      VAL1889  10.602   2.747  13.694
   41   HG13  VAL1889          HG13      VAL1889   9.706   2.550  12.188
   42   HG21  VAL1889          HG21      VAL1889  10.739   6.169  12.363
   43   HG22  VAL1889          HG22      VAL1889  10.870   4.728  11.353
   44   HG23  VAL1889          HG23      VAL1889  11.693   4.790  12.910
   45    H    GLN1890           HN       GLN1890   6.225   3.910  11.457
   46    HA   GLN1890           HA       GLN1890   4.719   3.961  13.937
   47    HB2  GLN1890           HB2      GLN1890   4.029   2.676  11.280
   48    HB3  GLN1890           HB1      GLN1890   2.923   2.847  12.641
   49    HG2  GLN1890           HG2      GLN1890   4.260   5.066  11.212
   50    HG3  GLN1890           HG1      GLN1890   2.613   4.545  10.839
   51   HE21  GLN1890          HE21      GLN1890   0.925   5.058  12.374
   52   HE22  GLN1890          HE22      GLN1890   1.210   6.157  13.656
   53    H    ASN1891           HN       ASN1891   5.887   2.724  15.305
   54    HA   ASN1891           HA       ASN1891   6.514   0.924  16.472
   55    HB2  ASN1891           HB2      ASN1891   4.311  -0.068  15.968
   56    HB3  ASN1891           HB1      ASN1891   4.922  -0.678  14.439
   57   HD21  ASN1891          HD21      ASN1891   6.193  -2.511  14.430
   58   HD22  ASN1891          HD22      ASN1891   6.441  -3.490  15.809
   59    H    ASP1892           HN       ASP1892   6.564  -0.217  13.157
   60    HA   ASP1892           HA       ASP1892   9.419  -0.282  13.099
   61    HB2  ASP1892           HB2      ASP1892   7.896  -2.869  13.203
   62    HB3  ASP1892           HB1      ASP1892   9.309  -2.761  12.162
   63    H    CYS1893           HN       CYS1893   7.354  -2.371  11.121
   64    HA   CYS1893           HA       CYS1893   6.832  -2.332   8.985
   65    HB2  CYS1893           HB2      CYS1893   5.522  -0.381   9.419
   66    HB3  CYS1893           HB1      CYS1893   6.943   0.643   9.443
   67    H    ARG1894           HN       ARG1894   9.035  -3.272   9.119
   68    HA   ARG1894           HA       ARG1894  10.568  -2.305   6.938
   69    HB2  ARG1894           HB2      ARG1894  12.686  -2.033   8.258
   70    HB3  ARG1894           HB1      ARG1894  11.498  -0.765   8.493
   71    HG2  ARG1894           HG2      ARG1894  10.809  -1.897  10.605
   72    HG3  ARG1894           HG1      ARG1894  12.147  -3.026  10.371
   73    HD2  ARG1894           HD2      ARG1894  13.714  -1.172  10.363
   74    HD3  ARG1894           HD1      ARG1894  12.387  -0.038  10.569
   75    HE   ARG1894           HE       ARG1894  12.164  -1.726  12.709
   76   HH11  ARG1894          HH11      ARG1894  14.692   0.334  11.378
   77   HH12  ARG1894          HH12      ARG1894  15.456   0.629  12.875
   78   HH21  ARG1894          HH21      ARG1894  13.189  -1.323  14.793
   79   HH22  ARG1894          HH22      ARG1894  14.576  -0.340  14.850
   80    H    VAL1895           HN       VAL1895  11.860  -3.849   6.110
   81    HA   VAL1895           HA       VAL1895  12.324  -6.272   7.632
   82    HB   VAL1895           HB       VAL1895  10.170  -6.663   6.434
   83   HG11  VAL1895          HG11      VAL1895  10.117  -6.913   3.997
   84   HG12  VAL1895          HG12      VAL1895  11.757  -6.273   3.906
   85   HG13  VAL1895          HG13      VAL1895  10.445  -5.258   4.499
   86   HG21  VAL1895          HG21      VAL1895  10.773  -8.804   5.373
   87   HG22  VAL1895          HG22      VAL1895  11.587  -8.570   6.920
   88   HG23  VAL1895          HG23      VAL1895  12.472  -8.329   5.414
   89    H    THR1896           HN       THR1896  14.273  -7.077   7.225
   90    HA   THR1896           HA       THR1896  15.852  -5.821   5.129
   91    HB   THR1896           HB       THR1896  16.741  -7.812   7.241
   92    HG1  THR1896           HG1      THR1896  15.722  -5.845   8.049
   93   HG21  THR1896          HG21      THR1896  18.241  -5.707   5.657
   94   HG22  THR1896          HG22      THR1896  18.296  -7.442   5.353
   95   HG23  THR1896          HG23      THR1896  18.949  -6.789   6.856
   96    H    ASN1897           HN       ASN1897  15.619  -6.825   3.202
   97    HA   ASN1897           HA       ASN1897  14.915  -9.625   3.085
   98    HB2  ASN1897           HB2      ASN1897  14.001  -8.118   1.374
   99    HB3  ASN1897           HB1      ASN1897  15.630  -7.716   0.841
  100   HD21  ASN1897          HD21      ASN1897  15.271  -8.467  -1.262
  101   HD22  ASN1897          HD22      ASN1897  15.102 -10.135  -1.626
  102    HA   PRO1898           HA       PRO1898  19.186 -10.805   3.547
  103    HB2  PRO1898           HB2      PRO1898  18.760 -13.488   3.124
  104    HB3  PRO1898           HB1      PRO1898  18.507 -12.677   4.672
  105    HG2  PRO1898           HG2      PRO1898  16.512 -13.405   2.567
  106    HG3  PRO1898           HG1      PRO1898  16.384 -13.548   4.331
  107    HD2  PRO1898           HD2      PRO1898  15.203 -11.550   3.006
  108    HD3  PRO1898           HD1      PRO1898  15.926 -11.296   4.607
  109    H    ALA1899           HN       ALA1899  17.158 -11.530   0.821
  110    HA   ALA1899           HA       ALA1899  19.244 -12.545  -0.848
  111    HB1  ALA1899           HB1      ALA1899  17.599 -12.444  -2.646
  112    HB2  ALA1899           HB2      ALA1899  16.518 -11.503  -1.617
  113    HB3  ALA1899           HB3      ALA1899  16.901 -13.173  -1.199
  114    H    THR1900           HN       THR1900  17.978  -9.384  -0.144
  115    HA   THR1900           HA       THR1900  19.480  -8.228  -2.372
  116    HB   THR1900           HB       THR1900  17.743  -6.752  -0.373
  117    HG1  THR1900           HG1      THR1900  17.111  -8.142  -2.760
  118   HG21  THR1900          HG21      THR1900  17.594  -5.088  -2.158
  119   HG22  THR1900          HG22      THR1900  18.645  -6.082  -3.169
  120   HG23  THR1900          HG23      THR1900  19.272  -5.361  -1.682
  121    H    GLY1901           HN       GLY1901  19.258  -8.144   1.176
  122    HA2  GLY1901           HA2      GLY1901  21.008  -7.760   2.665
  123    HA3  GLY1901           HA1      GLY1901  21.995  -7.155   1.333
  124    H    HIS1902           HN       HIS1902  18.972  -5.922   1.122
  125    HA   HIS1902           HA       HIS1902  19.774  -3.365   2.353
  126    HB2  HIS1902           HB2      HIS1902  19.427  -3.379  -0.160
  127    HB3  HIS1902           HB1      HIS1902  17.751  -3.811   0.131
  128    HD1  HIS1902           HD1      HIS1902  16.178  -1.845   1.121
  129    HD2  HIS1902           HD2      HIS1902  20.071  -0.700   0.196
  130    HE1  HIS1902           HE1      HIS1902  16.138   0.629   1.013
  131    HE2  HIS1902           HE2      HIS1902  18.354   1.189   0.012
  132    H    LEU1903           HN       LEU1903  18.410  -2.492   3.805
  133    HA   LEU1903           HA       LEU1903  16.178  -4.114   4.679
  134    HB2  LEU1903           HB2      LEU1903  17.778  -3.189   6.328
  135    HB3  LEU1903           HB1      LEU1903  17.364  -1.572   5.816
  136    HG   LEU1903           HG       LEU1903  15.263  -3.383   7.012
  137   HD11  LEU1903          HD11      LEU1903  17.186  -1.578   8.453
  138   HD12  LEU1903          HD12      LEU1903  17.158  -3.344   8.539
  139   HD13  LEU1903          HD13      LEU1903  15.801  -2.401   9.171
  140   HD21  LEU1903          HD21      LEU1903  14.526  -1.275   5.961
  141   HD22  LEU1903          HD22      LEU1903  15.631  -0.380   7.006
  142   HD23  LEU1903          HD23      LEU1903  14.273  -1.257   7.708
  143    H    PHE1904           HN       PHE1904  14.180  -3.730   4.078
  144    HA   PHE1904           HA       PHE1904  13.638  -1.327   2.521
  145    HB2  PHE1904           HB2      PHE1904  11.890  -3.755   2.987
  146    HB3  PHE1904           HB1      PHE1904  11.608  -2.463   1.836
  147    HD1  PHE1904           HD2      PHE1904  14.586  -2.401   0.853
  148    HD2  PHE1904           HD1      PHE1904  11.729  -5.496   1.436
  149    HE1  PHE1904           HE2      PHE1904  15.692  -3.748  -0.885
  150    HE2  PHE1904           HE1      PHE1904  12.809  -6.840  -0.287
  151    HZ   PHE1904           HZ       PHE1904  14.808  -5.973  -1.461
  152    H    ASP1905           HN       ASP1905  12.551   0.275   3.469
  153    HA   ASP1905           HA       ASP1905  10.852  -0.357   5.773
  154    HB2  ASP1905           HB2      ASP1905  11.536   1.558   6.967
  155    HB3  ASP1905           HB1      ASP1905  13.053   0.938   6.344
  156    H    LEU1906           HN       LEU1906   9.053   1.013   5.892
  157    HA   LEU1906           HA       LEU1906   8.667   2.704   3.523
  158    HB2  LEU1906           HB2      LEU1906   6.623   0.926   4.861
  159    HB3  LEU1906           HB1      LEU1906   6.215   2.150   3.674
  160    HG   LEU1906           HG       LEU1906   8.009  -0.221   3.142
  161   HD11  LEU1906          HD11      LEU1906   5.153   0.280   2.354
  162   HD12  LEU1906          HD12      LEU1906   5.730  -0.925   3.520
  163   HD13  LEU1906          HD13      LEU1906   6.165  -1.061   1.815
  164   HD21  LEU1906          HD21      LEU1906   6.838   1.846   1.278
  165   HD22  LEU1906          HD22      LEU1906   7.775   0.431   0.797
  166   HD23  LEU1906          HD23      LEU1906   8.533   1.707   1.750
  167    H    THR1907           HN       THR1907   9.693   3.162   6.121
  168    HA   THR1907           HA       THR1907   7.657   4.598   7.592
  169    HB   THR1907           HB       THR1907   9.458   5.055   9.222
  170    HG1  THR1907           HG1      THR1907  11.141   4.003   7.170
  171   HG21  THR1907          HG21      THR1907   9.331   2.176   8.347
  172   HG22  THR1907          HG22      THR1907   8.191   2.990   9.419
  173   HG23  THR1907          HG23      THR1907   9.860   2.748   9.930
  174    H    SER1908           HN       SER1908  10.314   5.144   5.463
  175    HA   SER1908           HA       SER1908  10.607   7.897   5.871
  176    HB2  SER1908           HB2      SER1908  11.293   6.207   3.470
  177    HB3  SER1908           HB1      SER1908  12.012   7.758   3.915
  178    HG   SER1908           HG       SER1908  12.312   5.227   5.135
  179    H    LEU1909           HN       LEU1909   8.467   5.980   3.884
  180    HA   LEU1909           HA       LEU1909   7.710   8.302   2.304
  181    HB2  LEU1909           HB2      LEU1909   8.172   5.992   1.323
  182    HB3  LEU1909           HB1      LEU1909   6.657   5.537   2.098
  183    HG   LEU1909           HG       LEU1909   5.386   7.005   0.696
  184   HD11  LEU1909          HD11      LEU1909   6.445   8.374  -1.036
  185   HD12  LEU1909          HD12      LEU1909   8.035   7.865  -0.466
  186   HD13  LEU1909          HD13      LEU1909   7.001   8.846   0.573
  187   HD21  LEU1909          HD21      LEU1909   5.851   6.032  -1.494
  188   HD22  LEU1909          HD22      LEU1909   5.951   4.811  -0.232
  189   HD23  LEU1909          HD23      LEU1909   7.424   5.488  -0.924
  190    H    LYS1910           HN       LYS1910   6.619   6.604   5.048
  191    HA   LYS1910           HA       LYS1910   3.842   7.141   4.550
  192    HB2  LYS1910           HB2      LYS1910   3.317   6.210   6.716
  193    HB3  LYS1910           HB1      LYS1910   4.402   5.134   5.866
  194    HG2  LYS1910           HG2      LYS1910   6.260   5.963   7.221
  195    HG3  LYS1910           HG1      LYS1910   5.138   7.022   8.082
  196    HD2  LYS1910           HD2      LYS1910   5.505   5.016   9.378
  197    HD3  LYS1910           HD1      LYS1910   3.848   5.027   8.776
  198    HE2  LYS1910           HE2      LYS1910   4.524   3.543   6.948
  199    HE3  LYS1910           HE1      LYS1910   6.167   3.524   7.581
  200    HZ1  LYS1910           HZ1      LYS1910   3.736   2.465   8.909
  201    HZ2  LYS1910           HZ2      LYS1910   5.274   2.511   9.629
  202    HZ3  LYS1910           HZ3      LYS1910   4.995   1.589   8.237
  203    H    ARG1911           HN       ARG1911   2.509   8.466   5.580
  204    HA   ARG1911           HA       ARG1911   3.622  10.504   7.257
  205    HB2  ARG1911           HB2      ARG1911   2.498  12.260   5.908
  206    HB3  ARG1911           HB1      ARG1911   3.756  11.440   5.008
  207    HG2  ARG1911           HG2      ARG1911   1.803  10.035   4.035
  208    HG3  ARG1911           HG1      ARG1911   0.786  11.351   4.638
  209    HD2  ARG1911           HD2      ARG1911   2.433  12.922   3.442
  210    HD3  ARG1911           HD1      ARG1911   3.012  11.467   2.631
  211    HE   ARG1911           HE       ARG1911   0.171  12.021   2.481
  212   HH11  ARG1911          HH11      ARG1911   3.245  11.786   0.766
  213   HH12  ARG1911          HH12      ARG1911   2.668  12.398  -0.716
  214   HH21  ARG1911          HH21      ARG1911  -0.689  12.842   0.436
  215   HH22  ARG1911          HH22      ARG1911   0.326  13.010  -0.908
  216    H    GLU1912           HN       GLU1912   1.796  11.593   8.429
  217    HA   GLU1912           HA       GLU1912   0.266   9.534   9.548
  218    HB2  GLU1912           HB2      GLU1912   1.113  11.486  10.772
  219    HB3  GLU1912           HB1      GLU1912  -0.039  12.500   9.923
  220    HG2  GLU1912           HG2      GLU1912  -1.877  11.337  10.945
  221    HG3  GLU1912           HG1      GLU1912  -0.769  10.217  11.736
  222    H    SER1913           HN       SER1913  -0.614  12.025   7.244
  223    HA   SER1913           HA       SER1913  -3.407  11.608   7.490
  224    HB2  SER1913           HB2      SER1913  -1.915  12.772   5.140
  225    HB3  SER1913           HB1      SER1913  -3.610  13.033   5.562
  226    HG   SER1913           HG       SER1913  -1.277  13.904   6.872
  227    H    GLY1914           HN       GLY1914  -1.351  10.867   4.663
  228    HA2  GLY1914           HA2      GLY1914  -1.556   8.297   4.213
  229    HA3  GLY1914           HA1      GLY1914  -3.216   8.806   3.849
  230    H    TYR1915           HN       TYR1915  -2.154   7.779   1.729
  231    HA   TYR1915           HA       TYR1915  -1.121  10.033   0.145
  232    HB2  TYR1915           HB2      TYR1915   0.391   7.931   0.572
  233    HB3  TYR1915           HB1      TYR1915  -0.721   7.119  -0.523
  234    HD1  TYR1915           HD2      TYR1915  -0.826   7.829  -2.908
  235    HD2  TYR1915           HD1      TYR1915   2.017   9.477  -0.221
  236    HE1  TYR1915           HE2      TYR1915   0.471   8.680  -4.804
  237    HE2  TYR1915           HE1      TYR1915   3.326  10.327  -2.121
  238    HH   TYR1915           HH       TYR1915   3.638   9.898  -4.477
  239    H    THR1916           HN       THR1916  -1.837   9.881  -2.141
  240    HA   THR1916           HA       THR1916  -4.548   8.774  -2.386
  241    HB   THR1916           HB       THR1916  -4.714  11.040  -1.351
  242    HG1  THR1916           HG1      THR1916  -6.385  10.601  -2.542
  243   HG21  THR1916          HG21      THR1916  -3.316  11.910  -3.869
  244   HG22  THR1916          HG22      THR1916  -2.670  12.009  -2.236
  245   HG23  THR1916          HG23      THR1916  -4.064  13.001  -2.697
  246    H    ILE1917           HN       ILE1917  -5.158   8.188  -3.983
  247    HA   ILE1917           HA       ILE1917  -4.045   8.905  -6.539
  248    HB   ILE1917           HB       ILE1917  -4.247   6.373  -7.006
  249   HG12  ILE1917          HG12      ILE1917  -3.334   6.297  -4.133
  250   HG13  ILE1917          HG11      ILE1917  -4.840   5.651  -4.771
  251   HG21  ILE1917          HG21      ILE1917  -1.771   7.639  -5.855
  252   HG22  ILE1917          HG22      ILE1917  -2.281   7.636  -7.544
  253   HG23  ILE1917          HG23      ILE1917  -1.767   6.134  -6.775
  254   HD11  ILE1917          HD11      ILE1917  -3.226   3.882  -4.347
  255   HD12  ILE1917          HD12      ILE1917  -2.068   4.661  -5.427
  256   HD13  ILE1917          HD13      ILE1917  -3.574   4.006  -6.072
  257    H    THR1918           HN       THR1918  -5.433   7.337  -8.241
  258    HA   THR1918           HA       THR1918  -8.217   7.680  -7.421
  259    HB   THR1918           HB       THR1918  -6.992   7.658 -10.200
  260    HG1  THR1918           HG1      THR1918  -8.025  10.053  -9.197
  261   HG21  THR1918          HG21      THR1918  -9.741   8.528  -9.239
  262   HG22  THR1918          HG22      THR1918  -9.390   7.062 -10.155
  263   HG23  THR1918          HG23      THR1918  -9.145   8.646 -10.896
  264    H    ASP1919           HN       ASP1919  -9.662   5.982  -7.939
  265    HA   ASP1919           HA       ASP1919  -8.462   3.339  -8.120
  266    HB2  ASP1919           HB2      ASP1919 -10.133   3.622  -6.351
  267    HB3  ASP1919           HB1      ASP1919 -11.293   4.270  -7.489
  268    H    SER1920           HN       SER1920  -9.898   1.780  -9.375
  269    HA   SER1920           HA       SER1920  -9.432   1.943 -12.046
  270    HB2  SER1920           HB2      SER1920 -11.668   0.443 -10.701
  271    HB3  SER1920           HB1      SER1920 -10.892   0.037 -12.236
  272    HG   SER1920           HG       SER1920  -9.876  -0.080  -9.619
  273    H    HIS1921           HN       HIS1921 -12.417   2.970 -10.345
  274    HA   HIS1921           HA       HIS1921 -13.032   4.531 -12.710
  275    HB2  HIS1921           HB2      HIS1921 -14.252   2.340 -12.944
  276    HB3  HIS1921           HB1      HIS1921 -15.149   2.748 -11.489
  277    HD1  HIS1921           HD1      HIS1921 -14.963   3.395 -15.112
  278    HD2  HIS1921           HD2      HIS1921 -17.034   4.913 -11.853
  279    HE1  HIS1921           HE1      HIS1921 -16.876   4.708 -16.076
  280    HE2  HIS1921           HE2      HIS1921 -17.888   5.857 -14.117
  281    H    ASN1922           HN       ASN1922 -12.894   6.454 -11.839
  282    HA   ASN1922           HA       ASN1922 -13.765   8.403 -10.964
  283    HB2  ASN1922           HB2      ASN1922 -16.009   7.313 -11.065
  284    HB3  ASN1922           HB1      ASN1922 -15.685   6.693  -9.465
  285   HD21  ASN1922          HD21      ASN1922 -14.723   9.952 -10.409
  286   HD22  ASN1922          HD22      ASN1922 -15.844  10.760  -9.380
  287    H    ARG1923           HN       ARG1923 -14.015   5.927  -8.658
  288    HA   ARG1923           HA       ARG1923 -13.867   7.212  -6.234
  289    HB2  ARG1923           HB2      ARG1923 -12.597   4.621  -6.905
  290    HB3  ARG1923           HB1      ARG1923 -12.968   5.183  -5.279
  291    HG2  ARG1923           HG2      ARG1923 -15.351   5.112  -5.872
  292    HG3  ARG1923           HG1      ARG1923 -14.891   4.476  -7.472
  293    HD2  ARG1923           HD2      ARG1923 -13.677   2.682  -6.401
  294    HD3  ARG1923           HD1      ARG1923 -14.166   3.284  -4.830
  295    HE   ARG1923           HE       ARG1923 -16.484   2.806  -5.689
  296   HH11  ARG1923          HH11      ARG1923 -13.625   1.062  -6.933
  297   HH12  ARG1923          HH12      ARG1923 -14.384  -0.474  -6.886
  298   HH21  ARG1923          HH21      ARG1923 -17.450   0.689  -5.519
  299   HH22  ARG1923          HH22      ARG1923 -16.617  -0.724  -6.001
  300    H    LYS1924           HN       LYS1924 -12.280   7.460  -4.665
  301    HA   LYS1924           HA       LYS1924  -9.602   8.051  -5.714
  302    HB2  LYS1924           HB2      LYS1924 -11.028   9.103  -3.265
  303    HB3  LYS1924           HB1      LYS1924  -9.394   9.524  -3.745
  304    HG2  LYS1924           HG2      LYS1924 -11.881  10.105  -5.342
  305    HG3  LYS1924           HG1      LYS1924 -11.028  11.255  -4.315
  306    HD2  LYS1924           HD2      LYS1924  -9.695   9.844  -6.620
  307    HD3  LYS1924           HD1      LYS1924 -10.572  11.354  -6.830
  308    HE2  LYS1924           HE2      LYS1924  -8.229  11.852  -6.621
  309    HE3  LYS1924           HE1      LYS1924  -9.043  12.400  -5.163
  310    HZ1  LYS1924           HZ1      LYS1924  -8.140  10.458  -3.979
  311    HZ2  LYS1924           HZ2      LYS1924  -6.932  11.337  -4.720
  312    HZ3  LYS1924           HZ3      LYS1924  -7.438   9.900  -5.414
  313    H    ILE1925           HN       ILE1925  -8.052   6.672  -5.079
  314    HA   ILE1925           HA       ILE1925  -8.623   4.873  -2.885
  315    HB   ILE1925           HB       ILE1925  -6.103   5.039  -4.582
  316   HG12  ILE1925          HG12      ILE1925  -8.435   3.134  -4.789
  317   HG13  ILE1925          HG11      ILE1925  -8.125   4.466  -5.890
  318   HG21  ILE1925          HG21      ILE1925  -7.106   2.889  -2.698
  319   HG22  ILE1925          HG22      ILE1925  -5.752   3.981  -2.400
  320   HG23  ILE1925          HG23      ILE1925  -5.650   2.784  -3.691
  321   HD11  ILE1925          HD11      ILE1925  -6.005   3.410  -6.574
  322   HD12  ILE1925          HD12      ILE1925  -7.364   2.333  -6.862
  323   HD13  ILE1925          HD13      ILE1925  -6.315   2.074  -5.474
  324    H    GLU1926           HN       GLU1926  -8.267   5.565  -0.941
  325    HA   GLU1926           HA       GLU1926  -6.105   7.469  -0.506
  326    HB2  GLU1926           HB2      GLU1926  -8.668   7.075   1.054
  327    HB3  GLU1926           HB1      GLU1926  -7.412   8.238   1.421
  328    HG2  GLU1926           HG2      GLU1926  -9.189   8.235  -1.006
  329    HG3  GLU1926           HG1      GLU1926  -9.312   9.306   0.386
  330    H    LEU1927           HN       LEU1927  -4.469   6.236   0.206
  331    HA   LEU1927           HA       LEU1927  -5.029   4.426   2.385
  332    HB2  LEU1927           HB2      LEU1927  -4.049   2.464   1.401
  333    HB3  LEU1927           HB1      LEU1927  -5.213   3.084   0.287
  334    HG   LEU1927           HG       LEU1927  -3.486   2.304  -1.028
  335   HD11  LEU1927          HD11      LEU1927  -3.006   5.245  -0.890
  336   HD12  LEU1927          HD12      LEU1927  -4.186   4.388  -1.883
  337   HD13  LEU1927          HD13      LEU1927  -2.460   4.174  -2.180
  338   HD21  LEU1927          HD21      LEU1927  -1.485   3.688   0.739
  339   HD22  LEU1927          HD22      LEU1927  -1.100   2.823  -0.748
  340   HD23  LEU1927          HD23      LEU1927  -1.784   1.954   0.628
  341    H    ASN1928           HN       ASN1928  -3.095   3.743   3.452
  342    HA   ASN1928           HA       ASN1928  -0.989   5.758   3.094
  343    HB2  ASN1928           HB2      ASN1928  -2.336   5.752   5.271
  344    HB3  ASN1928           HB1      ASN1928  -1.559   4.226   5.651
  345   HD21  ASN1928          HD21      ASN1928  -1.469   6.715   7.049
  346   HD22  ASN1928          HD22      ASN1928   0.154   7.267   7.095
  347    H    VAL1929           HN       VAL1929   1.117   5.050   2.998
  348    HA   VAL1929           HA       VAL1929   1.547   2.748   1.507
  349    HB   VAL1929           HB       VAL1929   2.929   4.772   1.407
  350   HG11  VAL1929          HG11      VAL1929   3.117   5.301   3.717
  351   HG12  VAL1929          HG12      VAL1929   4.720   5.153   2.996
  352   HG13  VAL1929          HG13      VAL1929   4.079   3.854   4.003
  353   HG21  VAL1929          HG21      VAL1929   4.457   2.231   1.926
  354   HG22  VAL1929          HG22      VAL1929   5.182   3.688   1.280
  355   HG23  VAL1929          HG23      VAL1929   3.911   2.866   0.366
  356    H    CYS1930           HN       CYS1930   1.464   2.983   4.902
  357    HA   CYS1930           HA       CYS1930   1.677   0.254   5.465
  358    HB2  CYS1930           HB2      CYS1930   4.019   0.475   4.692
  359    HB3  CYS1930           HB1      CYS1930   4.289   1.753   5.863
  360    H    ALA1931           HN       ALA1931   0.223   2.612   6.280
  361    HA   ALA1931           HA       ALA1931   0.551   2.328   9.091
  362    HB1  ALA1931           HB1      ALA1931   2.097   4.181   8.648
  363    HB2  ALA1931           HB2      ALA1931   0.683   4.758   9.533
  364    HB3  ALA1931           HB3      ALA1931   0.823   5.060   7.802
  365    H    GLU1932           HN       GLU1932  -1.194   3.980  10.026
  366    HA   GLU1932           HA       GLU1932  -3.604   3.158   8.700
  367    HB2  GLU1932           HB2      GLU1932  -4.758   4.087  10.698
  368    HB3  GLU1932           HB1      GLU1932  -3.589   2.841  11.073
  369    HG2  GLU1932           HG2      GLU1932  -3.021   5.785  11.353
  370    HG3  GLU1932           HG1      GLU1932  -3.704   4.784  12.632
  371    H    ALA1933           HN       ALA1933  -5.332   4.611   8.244
  372    HA   ALA1933           HA       ALA1933  -4.341   6.978   6.938
  373    HB1  ALA1933           HB1      ALA1933  -5.875   5.531   5.730
  374    HB2  ALA1933           HB2      ALA1933  -6.617   7.107   6.015
  375    HB3  ALA1933           HB3      ALA1933  -7.084   5.728   6.998
  376    H    LYS1934           HN       LYS1934  -4.910   9.036   7.481
  377    HA   LYS1934           HA       LYS1934  -5.929   9.414  10.164
  378    HB2  LYS1934           HB2      LYS1934  -3.987  10.697   9.270
  379    HB3  LYS1934           HB1      LYS1934  -5.070  11.478   8.135
  380    HG2  LYS1934           HG2      LYS1934  -6.299  12.475   9.990
  381    HG3  LYS1934           HG1      LYS1934  -5.221  11.673  11.134
  382    HD2  LYS1934           HD2      LYS1934  -3.313  12.861  10.113
  383    HD3  LYS1934           HD1      LYS1934  -4.437  13.721   9.061
  384    HE2  LYS1934           HE2      LYS1934  -3.863  15.121  10.935
  385    HE3  LYS1934           HE1      LYS1934  -5.551  14.630  11.077
  386    HZ1  LYS1934           HZ1      LYS1934  -4.872  12.949  12.713
  387    HZ2  LYS1934           HZ2      LYS1934  -4.385  14.490  13.181
  388    HZ3  LYS1934           HZ3      LYS1934  -3.256  13.422  12.539
  389    H    SER1935           HN       SER1935  -6.744  10.824   6.977
  390    HA   SER1935           HA       SER1935  -9.529  11.003   7.930
  391    HB2  SER1935           HB2      SER1935  -8.239  12.611   5.743
  392    HB3  SER1935           HB1      SER1935  -9.799  12.868   6.521
  393    HG   SER1935           HG       SER1935  -8.544  14.258   7.518
  394    H    SER1936           HN       SER1936  -7.427   9.468   5.716
  395    HA   SER1936           HA       SER1936  -8.803   9.328   3.357
  396    HB2  SER1936           HB2      SER1936  -7.283   7.067   4.503
  397    HB3  SER1936           HB1      SER1936  -7.327   7.668   2.845
  398    HG   SER1936           HG       SER1936  -5.797   9.057   3.298
  399    H    CYS1937           HN       CYS1937  -9.385   7.610   6.339
  400    HA   CYS1937           HA       CYS1937 -11.789   6.537   5.179
  401    HB2  CYS1937           HB2      CYS1937  -9.787   4.848   4.978
  402    HB3  CYS1937           HB1      CYS1937 -10.060   4.595   6.697
  403    H    ALA1938           HN       ALA1938 -10.042   5.606   8.170
  404    HA   ALA1938           HA       ALA1938 -11.486   7.534   9.677
  405    HB1  ALA1938           HB1      ALA1938 -11.931   4.587  10.226
  406    HB2  ALA1938           HB2      ALA1938 -13.137   5.698   9.579
  407    HB3  ALA1938           HB3      ALA1938 -12.522   5.922  11.218
  408    H    ASN1939           HN       ASN1939 -10.220   4.510  10.998
  409    HA   ASN1939           HA       ASN1939  -7.863   5.963  11.565
  410    HB2  ASN1939           HB2      ASN1939  -9.411   4.386  13.596
  411    HB3  ASN1939           HB1      ASN1939  -7.684   4.658  13.803
  412   HD21  ASN1939          HD21      ASN1939  -6.944   6.729  14.196
  413   HD22  ASN1939          HD22      ASN1939  -7.968   8.045  14.640
  414    H    GLY1940           HN       GLY1940  -8.794   2.666  12.271
  415    HA2  GLY1940           HA2      GLY1940  -6.182   1.667  11.769
  416    HA3  GLY1940           HA1      GLY1940  -7.598   0.714  12.130
  417    H    ALA1941           HN       ALA1941  -8.615   2.277   9.516
  418    HA   ALA1941           HA       ALA1941  -7.957   0.113   7.751
  419    HB1  ALA1941           HB1      ALA1941 -10.138   1.219   7.627
  420    HB2  ALA1941           HB2      ALA1941  -9.277   1.331   6.092
  421    HB3  ALA1941           HB3      ALA1941  -9.350   2.728   7.167
  422    H    ALA1942           HN       ALA1942  -6.224  -0.005   6.511
  423    HA   ALA1942           HA       ALA1942  -4.487   2.333   6.302
  424    HB1  ALA1942           HB1      ALA1942  -2.816   0.788   5.410
  425    HB2  ALA1942           HB2      ALA1942  -4.005  -0.515   5.431
  426    HB3  ALA1942           HB3      ALA1942  -3.463   0.215   6.945
  427    H    VAL1943           HN       VAL1943  -6.156   0.028   4.245
  428    HA   VAL1943           HA       VAL1943  -5.779   1.901   2.006
  429    HB   VAL1943           HB       VAL1943  -6.535  -1.042   1.832
  430   HG11  VAL1943          HG11      VAL1943  -6.080  -0.797  -0.564
  431   HG12  VAL1943          HG12      VAL1943  -5.763   0.920  -0.322
  432   HG13  VAL1943          HG13      VAL1943  -7.379   0.271  -0.028
  433   HG21  VAL1943          HG21      VAL1943  -4.215  -0.747   2.614
  434   HG22  VAL1943          HG22      VAL1943  -3.855   0.194   1.158
  435   HG23  VAL1943          HG23      VAL1943  -4.323  -1.491   1.031
  436    H    CYS1944           HN       CYS1944  -7.558   3.093   1.655
  437    HA   CYS1944           HA       CYS1944 -10.098   1.717   2.012
  438    HB2  CYS1944           HB2      CYS1944  -9.472   3.301   3.905
  439    HB3  CYS1944           HB1      CYS1944  -9.657   4.602   2.734
  440    H    ILE1945           HN       ILE1945 -11.383   1.905   0.345
  441    HA   ILE1945           HA       ILE1945 -10.490   3.518  -1.910
  442    HB   ILE1945           HB       ILE1945 -12.741   1.478  -1.798
  443   HG12  ILE1945          HG12      ILE1945 -10.651   0.345  -1.188
  444   HG13  ILE1945          HG11      ILE1945 -11.186  -0.158  -2.784
  445   HG21  ILE1945          HG21      ILE1945 -12.437   1.385  -4.229
  446   HG22  ILE1945          HG22      ILE1945 -11.191   2.629  -4.110
  447   HG23  ILE1945          HG23      ILE1945 -12.859   3.004  -3.672
  448   HD11  ILE1945          HD11      ILE1945  -8.783   0.149  -2.710
  449   HD12  ILE1945          HD12      ILE1945  -9.000   1.825  -2.196
  450   HD13  ILE1945          HD13      ILE1945  -9.528   1.318  -3.804
  451    H    THR1946           HN       THR1946 -11.353   5.551  -1.886
  452    HA   THR1946           HA       THR1946 -13.831   5.939  -0.454
  453    HB   THR1946           HB       THR1946 -11.955   8.017  -1.617
  454    HG1  THR1946           HG1      THR1946 -11.264   6.439   0.167
  455   HG21  THR1946          HG21      THR1946 -14.251   8.807  -1.144
  456   HG22  THR1946          HG22      THR1946 -13.079   9.513  -0.030
  457   HG23  THR1946          HG23      THR1946 -14.111   8.188   0.502
  458    H    ASP1947           HN       ASP1947 -15.498   5.503  -1.676
  459    HA   ASP1947           HA       ASP1947 -15.609   6.339  -4.477
  460    HB2  ASP1947           HB2      ASP1947 -16.410   4.070  -3.944
  461    HB3  ASP1947           HB1      ASP1947 -17.537   4.732  -2.768
  462    H    GLY1948           HN       GLY1948 -15.937   8.487  -4.465
  463    HA2  GLY1948           HA2      GLY1948 -17.001  10.487  -4.129
  464    HA3  GLY1948           HA1      GLY1948 -18.414   9.569  -3.604
  465    HA   PRO1949           HA       PRO1949 -16.993  10.853   0.473
  466    HB2  PRO1949           HB2      PRO1949 -19.388  11.095   1.595
  467    HB3  PRO1949           HB1      PRO1949 -18.841  12.263   0.386
  468    HG2  PRO1949           HG2      PRO1949 -20.862  10.107   0.138
  469    HG3  PRO1949           HG1      PRO1949 -20.735  11.635  -0.748
  470    HD2  PRO1949           HD2      PRO1949 -19.858   9.024  -1.571
  471    HD3  PRO1949           HD1      PRO1949 -19.714  10.554  -2.459
  472    H    LYS1950           HN       LYS1950 -17.946   7.944  -0.643
  473    HA   LYS1950           HA       LYS1950 -18.525   6.783   1.974
  474    HB2  LYS1950           HB2      LYS1950 -20.253   6.475   0.260
  475    HB3  LYS1950           HB1      LYS1950 -19.082   5.742  -0.811
  476    HG2  LYS1950           HG2      LYS1950 -19.540   4.451   1.828
  477    HG3  LYS1950           HG1      LYS1950 -20.816   4.334   0.621
  478    HD2  LYS1950           HD2      LYS1950 -17.943   3.469   0.261
  479    HD3  LYS1950           HD1      LYS1950 -19.321   2.399   0.533
  480    HE2  LYS1950           HE2      LYS1950 -18.864   4.198  -1.852
  481    HE3  LYS1950           HE1      LYS1950 -18.766   2.439  -1.828
  482    HZ1  LYS1950           HZ1      LYS1950 -21.187   2.375  -1.348
  483    HZ2  LYS1950           HZ2      LYS1950 -20.856   3.183  -2.771
  484    HZ3  LYS1950           HZ3      LYS1950 -21.243   4.059  -1.406
  485    H    THR1951           HN       THR1951 -16.798   6.046   2.947
  486    HA   THR1951           HA       THR1951 -14.489   5.210   1.491
  487    HB   THR1951           HB       THR1951 -13.735   4.768   3.950
  488    HG1  THR1951           HG1      THR1951 -15.285   5.045   5.306
  489   HG21  THR1951          HG21      THR1951 -13.213   7.180   4.241
  490   HG22  THR1951          HG22      THR1951 -14.317   7.570   2.919
  491   HG23  THR1951          HG23      THR1951 -12.862   6.618   2.620
  492    H    LEU1952           HN       LEU1952 -14.162   3.214   0.822
  493    HA   LEU1952           HA       LEU1952 -15.568   0.974   2.075
  494    HB2  LEU1952           HB2      LEU1952 -15.907   1.295  -0.335
  495    HB3  LEU1952           HB1      LEU1952 -14.177   1.256  -0.593
  496    HG   LEU1952           HG       LEU1952 -14.156  -1.116   0.139
  497   HD11  LEU1952          HD11      LEU1952 -17.147  -0.809   0.131
  498   HD12  LEU1952          HD12      LEU1952 -16.128  -1.093   1.543
  499   HD13  LEU1952          HD13      LEU1952 -16.261  -2.327   0.290
  500   HD21  LEU1952          HD21      LEU1952 -15.192  -2.006  -1.894
  501   HD22  LEU1952          HD22      LEU1952 -14.256  -0.548  -2.224
  502   HD23  LEU1952          HD23      LEU1952 -16.015  -0.467  -2.142
  503    H    ASN1953           HN       ASN1953 -14.332   0.164   3.677
  504    HA   ASN1953           HA       ASN1953 -11.530   0.295   3.840
  505    HB2  ASN1953           HB2      ASN1953 -12.927  -0.036   5.818
  506    HB3  ASN1953           HB1      ASN1953 -13.466  -1.588   5.201
  507   HD21  ASN1953          HD21      ASN1953 -10.100  -0.440   5.053
  508   HD22  ASN1953          HD22      ASN1953  -9.526  -1.631   6.161
  509    H    ALA1954           HN       ALA1954 -10.225  -0.598   2.400
  510    HA   ALA1954           HA       ALA1954 -10.958  -3.079   1.112
  511    HB1  ALA1954           HB1      ALA1954  -8.573  -1.288   0.676
  512    HB2  ALA1954           HB2      ALA1954 -10.081  -1.237  -0.239
  513    HB3  ALA1954           HB3      ALA1954  -9.043  -2.660  -0.330
  514    H    GLY1955           HN       GLY1955  -8.675  -1.863   3.466
  515    HA2  GLY1955           HA2      GLY1955  -8.170  -4.514   4.376
  516    HA3  GLY1955           HA1      GLY1955  -6.783  -3.811   3.549
  517    H    LYS1956           HN       LYS1956  -7.247  -4.572   6.374
  518    HA   LYS1956           HA       LYS1956  -7.319  -2.145   7.897
  519    HB2  LYS1956           HB2      LYS1956  -6.949  -3.543   9.762
  520    HB3  LYS1956           HB1      LYS1956  -7.928  -4.510   8.667
  521    HG2  LYS1956           HG2      LYS1956  -5.701  -5.504   7.853
  522    HG3  LYS1956           HG1      LYS1956  -5.000  -4.785   9.299
  523    HD2  LYS1956           HD2      LYS1956  -7.209  -6.819   9.149
  524    HD3  LYS1956           HD1      LYS1956  -5.569  -7.075   9.729
  525    HE2  LYS1956           HE2      LYS1956  -5.959  -5.771  11.660
  526    HE3  LYS1956           HE1      LYS1956  -7.480  -5.142  11.013
  527    HZ1  LYS1956           HZ1      LYS1956  -8.386  -7.338  11.070
  528    HZ2  LYS1956           HZ2      LYS1956  -7.913  -6.884  12.616
  529    HZ3  LYS1956           HZ3      LYS1956  -6.956  -7.983  11.714
  530    H    LEU1957           HN       LEU1957  -5.441  -1.492   9.231
  531    HA   LEU1957           HA       LEU1957  -3.115  -1.118   7.775
  532    HB2  LEU1957           HB2      LEU1957  -3.562   0.411   9.492
  533    HB3  LEU1957           HB1      LEU1957  -3.734  -0.851  10.692
  534    HG   LEU1957           HG       LEU1957  -1.349  -1.231  10.731
  535   HD11  LEU1957          HD11      LEU1957  -1.147   0.866   8.577
  536   HD12  LEU1957          HD12      LEU1957  -0.841  -0.861   8.377
  537   HD13  LEU1957          HD13      LEU1957   0.203   0.105   9.415
  538   HD21  LEU1957          HD21      LEU1957  -0.602   0.921  11.551
  539   HD22  LEU1957          HD22      LEU1957  -2.238   0.539  12.108
  540   HD23  LEU1957          HD23      LEU1957  -1.996   1.687  10.785
  541    H    SER1958           HN       SER1958  -1.799  -2.531   7.117
  542    HA   SER1958           HA       SER1958  -0.884  -4.565   8.979
  543    HB2  SER1958           HB2      SER1958  -1.123  -4.762   5.968
  544    HB3  SER1958           HB1      SER1958  -0.584  -6.042   7.062
  545    HG   SER1958           HG       SER1958  -3.146  -4.816   6.998
  546    H    LYS1959           HN       LYS1959   0.926  -3.674   9.685
  547    HA   LYS1959           HA       LYS1959   2.695  -2.252   7.842
  548    HB2  LYS1959           HB2      LYS1959   3.828  -1.447   9.891
  549    HB3  LYS1959           HB1      LYS1959   2.113  -1.096   9.961
  550    HG2  LYS1959           HG2      LYS1959   1.860  -3.167  11.304
  551    HG3  LYS1959           HG1      LYS1959   3.628  -3.236  11.468
  552    HD2  LYS1959           HD2      LYS1959   2.839  -2.154  13.427
  553    HD3  LYS1959           HD1      LYS1959   3.361  -0.822  12.387
  554    HE2  LYS1959           HE2      LYS1959   1.102  -0.430  11.668
  555    HE3  LYS1959           HE1      LYS1959   0.526  -1.841  12.551
  556    HZ1  LYS1959           HZ1      LYS1959  -0.027  -0.061  13.879
  557    HZ2  LYS1959           HZ2      LYS1959   1.344   0.804  13.615
  558    HZ3  LYS1959           HZ3      LYS1959   1.382  -0.572  14.625
  559    H    THR1960           HN       THR1960   2.318  -5.117   7.824
  560    HA   THR1960           HA       THR1960   4.954  -6.100   8.567
  561    HB   THR1960           HB       THR1960   3.158  -7.482   9.467
  562    HG1  THR1960           HG1      THR1960   3.605  -9.449   7.897
  563   HG21  THR1960          HG21      THR1960   2.164  -7.817   6.623
  564   HG22  THR1960          HG22      THR1960   1.352  -6.920   7.906
  565   HG23  THR1960          HG23      THR1960   1.533  -8.672   8.033
  566    H    LEU1961           HN       LEU1961   6.461  -6.154   7.001
  567    HA   LEU1961           HA       LEU1961   5.645  -5.858   4.264
  568    HB2  LEU1961           HB2      LEU1961   8.133  -5.417   5.852
  569    HB3  LEU1961           HB1      LEU1961   8.180  -5.494   4.118
  570    HG   LEU1961           HG       LEU1961   6.642  -3.490   4.077
  571   HD11  LEU1961          HD11      LEU1961   5.628  -3.736   6.266
  572   HD12  LEU1961          HD12      LEU1961   6.394  -2.158   6.091
  573   HD13  LEU1961          HD13      LEU1961   7.182  -3.422   7.036
  574   HD21  LEU1961          HD21      LEU1961   9.026  -3.222   3.785
  575   HD22  LEU1961          HD22      LEU1961   9.252  -3.139   5.534
  576   HD23  LEU1961          HD23      LEU1961   8.359  -1.868   4.697
  577    H    THR1962           HN       THR1962   6.093  -7.448   2.784
  578    HA   THR1962           HA       THR1962   7.664  -9.749   3.712
  579    HB   THR1962           HB       THR1962   6.148 -11.282   2.629
  580    HG1  THR1962           HG1      THR1962   4.963  -8.989   1.463
  581   HG21  THR1962          HG21      THR1962   4.332  -9.082   3.415
  582   HG22  THR1962          HG22      THR1962   5.088 -10.140   4.626
  583   HG23  THR1962          HG23      THR1962   3.945 -10.798   3.410
  584    H    TYR1963           HN       TYR1963   8.702 -10.851   1.822
  585    HA   TYR1963           HA       TYR1963   9.101  -8.964  -0.370
  586    HB2  TYR1963           HB2      TYR1963  11.456  -9.850  -0.566
  587    HB3  TYR1963           HB1      TYR1963  11.144  -8.891   0.867
  588    HD1  TYR1963           HD1      TYR1963  11.590 -12.356  -0.369
  589    HD2  TYR1963           HD2      TYR1963  11.504  -9.807   3.028
  590    HE1  TYR1963           HE1      TYR1963  12.476 -14.180   1.022
  591    HE2  TYR1963           HE2      TYR1963  12.384 -11.617   4.421
  592    HH   TYR1963           HH       TYR1963  12.568 -13.885   4.472
  593    H    GLU1964           HN       GLU1964   8.970  -9.722  -2.404
  594    HA   GLU1964           HA       GLU1964   9.146 -12.499  -3.032
  595    HB2  GLU1964           HB2      GLU1964   6.535 -11.262  -2.565
  596    HB3  GLU1964           HB1      GLU1964   6.683 -12.040  -4.130
  597    HG2  GLU1964           HG2      GLU1964   7.389 -13.410  -1.563
  598    HG3  GLU1964           HG1      GLU1964   5.767 -13.439  -2.258
  599    H    ASP1965           HN       ASP1965   9.786 -12.739  -5.029
  600    HA   ASP1965           HA       ASP1965  10.590 -12.274  -7.044
  601    HB2  ASP1965           HB2      ASP1965   8.985 -11.377  -8.753
  602    HB3  ASP1965           HB1      ASP1965   8.342 -12.683  -7.787
  603    H    GLN1966           HN       GLN1966  11.433 -10.489  -5.101
  604    HA   GLN1966           HA       GLN1966  12.822  -8.802  -4.858
  605    HB2  GLN1966           HB2      GLN1966  12.667  -8.529  -7.861
  606    HB3  GLN1966           HB1      GLN1966  13.703  -7.530  -6.855
  607    HG2  GLN1966           HG2      GLN1966  14.874  -9.540  -6.084
  608    HG3  GLN1966           HG1      GLN1966  13.834 -10.525  -7.109
  609   HE21  GLN1966          HE21      GLN1966  13.828  -8.579  -9.298
  610   HE22  GLN1966          HE22      GLN1966  15.379  -8.667 -10.021
  611    H    VAL1967           HN       VAL1967   9.818  -8.511  -5.219
  612    HA   VAL1967           HA       VAL1967   9.774  -5.581  -5.170
  613    HB   VAL1967           HB       VAL1967   7.553  -7.567  -5.858
  614   HG11  VAL1967          HG11      VAL1967   6.172  -5.638  -6.415
  615   HG12  VAL1967          HG12      VAL1967   7.444  -4.553  -5.851
  616   HG13  VAL1967          HG13      VAL1967   6.622  -5.617  -4.711
  617   HG21  VAL1967          HG21      VAL1967   8.998  -5.566  -7.580
  618   HG22  VAL1967          HG22      VAL1967   7.642  -6.576  -8.089
  619   HG23  VAL1967          HG23      VAL1967   9.175  -7.321  -7.633
  620    H    LEU1968           HN       LEU1968   8.542  -4.648  -3.434
  621    HA   LEU1968           HA       LEU1968   8.569  -6.282  -1.034
  622    HB2  LEU1968           HB2      LEU1968   9.490  -3.969  -1.099
  623    HB3  LEU1968           HB1      LEU1968   7.892  -3.370  -1.468
  624    HG   LEU1968           HG       LEU1968   7.105  -4.115   0.738
  625   HD11  LEU1968          HD11      LEU1968   8.741  -4.832   2.410
  626   HD12  LEU1968          HD12      LEU1968   9.995  -4.871   1.166
  627   HD13  LEU1968          HD13      LEU1968   8.629  -5.981   1.078
  628   HD21  LEU1968          HD21      LEU1968   9.573  -2.391   0.794
  629   HD22  LEU1968          HD22      LEU1968   8.324  -2.448   2.039
  630   HD23  LEU1968          HD23      LEU1968   7.937  -1.852   0.423
  631    H    LYS1969           HN       LYS1969   6.718  -7.095  -0.131
  632    HA   LYS1969           HA       LYS1969   4.170  -6.356  -1.473
  633    HB2  LYS1969           HB2      LYS1969   4.780  -9.008  -0.207
  634    HB3  LYS1969           HB1      LYS1969   3.375  -8.583  -1.126
  635    HG2  LYS1969           HG2      LYS1969   6.157  -8.792  -2.277
  636    HG3  LYS1969           HG1      LYS1969   4.881  -9.993  -2.450
  637    HD2  LYS1969           HD2      LYS1969   3.510  -8.312  -3.636
  638    HD3  LYS1969           HD1      LYS1969   4.846  -7.160  -3.505
  639    HE2  LYS1969           HE2      LYS1969   4.928  -8.156  -5.686
  640    HE3  LYS1969           HE1      LYS1969   6.275  -8.775  -4.738
  641    HZ1  LYS1969           HZ1      LYS1969   4.851 -10.784  -4.284
  642    HZ2  LYS1969           HZ2      LYS1969   5.326 -10.590  -5.878
  643    HZ3  LYS1969           HZ3      LYS1969   3.747 -10.187  -5.400
  644    H    LEU1970           HN       LEU1970   2.732  -5.491  -0.132
  645    HA   LEU1970           HA       LEU1970   2.658  -6.550   2.579
  646    HB2  LEU1970           HB2      LEU1970   2.139  -3.691   1.750
  647    HB3  LEU1970           HB1      LEU1970   1.496  -4.351   3.225
  648    HG   LEU1970           HG       LEU1970   3.837  -4.819   3.981
  649   HD11  LEU1970          HD11      LEU1970   4.617  -3.123   1.628
  650   HD12  LEU1970          HD12      LEU1970   4.978  -4.835   1.855
  651   HD13  LEU1970          HD13      LEU1970   5.682  -3.636   2.940
  652   HD21  LEU1970          HD21      LEU1970   2.603  -2.913   4.792
  653   HD22  LEU1970          HD22      LEU1970   3.126  -1.958   3.406
  654   HD23  LEU1970          HD23      LEU1970   4.307  -2.505   4.599
  655    H    VAL1971           HN       VAL1971   0.814  -7.303   3.254
  656    HA   VAL1971           HA       VAL1971  -1.310  -7.304   1.273
  657    HB   VAL1971           HB       VAL1971  -2.101  -9.438   2.371
  658   HG11  VAL1971          HG11      VAL1971   0.706  -9.430   1.275
  659   HG12  VAL1971          HG12      VAL1971  -0.785  -9.481   0.333
  660   HG13  VAL1971          HG13      VAL1971  -0.350 -10.839   1.369
  661   HG21  VAL1971          HG21      VAL1971   0.572  -9.297   3.795
  662   HG22  VAL1971          HG22      VAL1971  -0.520 -10.681   3.790
  663   HG23  VAL1971          HG23      VAL1971  -1.011  -9.172   4.562
  664    H    TYR1972           HN       TYR1972  -2.781  -5.859   1.700
  665    HA   TYR1972           HA       TYR1972  -3.526  -5.450   4.492
  666    HB2  TYR1972           HB2      TYR1972  -4.380  -3.657   2.134
  667    HB3  TYR1972           HB1      TYR1972  -4.558  -3.388   3.851
  668    HD1  TYR1972           HD2      TYR1972  -2.697  -2.567   5.197
  669    HD2  TYR1972           HD1      TYR1972  -2.277  -3.418   1.036
  670    HE1  TYR1972           HE2      TYR1972  -0.612  -1.295   5.136
  671    HE2  TYR1972           HE1      TYR1972  -0.202  -2.142   0.985
  672    HH   TYR1972           HH       TYR1972   1.447  -1.165   3.716
  673    H    GLU1973           HN       GLU1973  -4.781  -7.088   4.857
  674    HA   GLU1973           HA       GLU1973  -7.124  -7.430   3.143
  675    HB2  GLU1973           HB2      GLU1973  -5.783  -9.412   4.984
  676    HB3  GLU1973           HB1      GLU1973  -7.229  -9.716   4.030
  677    HG2  GLU1973           HG2      GLU1973  -5.874  -9.294   1.983
  678    HG3  GLU1973           HG1      GLU1973  -4.460  -9.189   3.039
  679    H    ASP1974           HN       ASP1974  -8.675  -8.787   4.832
  680    HA   ASP1974           HA       ASP1974 -10.178  -8.596   6.518
  681    HB2  ASP1974           HB2      ASP1974  -8.017  -8.834   7.891
  682    HB3  ASP1974           HB1      ASP1974  -8.050  -7.113   8.029
  683    H    GLY1975           HN       GLY1975 -11.333  -7.268   5.164
  684    HA2  GLY1975           HA2      GLY1975 -11.618  -4.563   6.167
  685    HA3  GLY1975           HA1      GLY1975 -11.354  -4.795   4.438
  686    H    ASP1976           HN       ASP1976 -13.396  -3.895   4.057
  687    HA   ASP1976           HA       ASP1976 -15.779  -4.967   5.176
  688    HB2  ASP1976           HB2      ASP1976 -15.667  -2.680   4.307
  689    HB3  ASP1976           HB1      ASP1976 -15.345  -3.289   2.694
  690    HA   PRO1977           HA       PRO1977 -15.919  -8.634   2.588
  691    HB2  PRO1977           HB2      PRO1977 -18.649  -8.864   3.700
  692    HB3  PRO1977           HB1      PRO1977 -17.304 -10.005   3.799
  693    HG2  PRO1977           HG2      PRO1977 -18.104  -8.612   5.936
  694    HG3  PRO1977           HG1      PRO1977 -16.391  -8.979   5.655
  695    HD2  PRO1977           HD2      PRO1977 -17.887  -6.436   5.156
  696    HD3  PRO1977           HD1      PRO1977 -16.270  -6.674   5.849
  697    H    CYS1978           HN       CYS1978 -16.474  -8.626   0.554
  698    HA   CYS1978           HA       CYS1978 -18.155  -6.569  -0.519
  699    HB2  CYS1978           HB2      CYS1978 -17.421  -7.662  -2.666
  700    HB3  CYS1978           HB1      CYS1978 -16.104  -7.094  -1.635
  701    HA   PRO1979           HA       PRO1979 -21.791  -9.148  -0.938
  702    HB2  PRO1979           HB2      PRO1979 -22.410  -7.854  -3.499
  703    HB3  PRO1979           HB1      PRO1979 -23.272  -7.786  -1.958
  704    HG2  PRO1979           HG2      PRO1979 -21.930  -5.659  -2.929
  705    HG3  PRO1979           HG1      PRO1979 -22.039  -5.988  -1.191
  706    HD2  PRO1979           HD2      PRO1979 -19.790  -6.568  -3.088
  707    HD3  PRO1979           HD1      PRO1979 -19.730  -5.894  -1.443
  708    H    THR1980           HN       THR1980 -19.375  -8.968  -3.337
  709    HA   THR1980           HA       THR1980 -20.345 -10.974  -5.069
  710    HB   THR1980           HB       THR1980 -17.514  -9.952  -4.678
  711    HG1  THR1980           HG1      THR1980 -19.685  -9.132  -6.312
  712   HG21  THR1980          HG21      THR1980 -17.210 -10.665  -7.019
  713   HG22  THR1980          HG22      THR1980 -18.867 -11.270  -7.054
  714   HG23  THR1980          HG23      THR1980 -17.671 -12.038  -6.010
  715    H    ASP1981           HN       ASP1981 -18.121 -10.920  -2.286
  716    HA   ASP1981           HA       ASP1981 -18.669 -13.716  -1.870
  717    HB2  ASP1981           HB2      ASP1981 -16.519 -13.545  -3.286
  718    HB3  ASP1981           HB1      ASP1981 -15.782 -12.813  -1.862
  719    H    LEU1982           HN       LEU1982 -19.384 -13.646   0.059
  720    HA   LEU1982           HA       LEU1982 -18.654 -11.433   1.856
  721    HB2  LEU1982           HB2      LEU1982 -20.857 -13.440   2.271
  722    HB3  LEU1982           HB1      LEU1982 -20.651 -11.897   3.056
  723    HG   LEU1982           HG       LEU1982 -21.097 -10.899   0.710
  724   HD11  LEU1982          HD11      LEU1982 -21.943 -13.744   0.325
  725   HD12  LEU1982          HD12      LEU1982 -21.033 -12.704  -0.780
  726   HD13  LEU1982          HD13      LEU1982 -22.752 -12.438  -0.527
  727   HD21  LEU1982          HD21      LEU1982 -23.497 -10.970   1.125
  728   HD22  LEU1982          HD22      LEU1982 -22.574 -10.700   2.606
  729   HD23  LEU1982          HD23      LEU1982 -23.252 -12.294   2.265
  730    H    LYS1983           HN       LYS1983 -17.822 -14.476   1.211
  731    HA   LYS1983           HA       LYS1983 -17.870 -15.502   3.898
  732    HB2  LYS1983           HB2      LYS1983 -17.474 -16.579   1.178
  733    HB3  LYS1983           HB1      LYS1983 -17.150 -17.626   2.598
  734    HG2  LYS1983           HG2      LYS1983 -19.522 -17.208   3.221
  735    HG3  LYS1983           HG1      LYS1983 -19.700 -16.264   1.741
  736    HD2  LYS1983           HD2      LYS1983 -19.099 -18.264   0.433
  737    HD3  LYS1983           HD1      LYS1983 -19.008 -19.191   1.933
  738    HE2  LYS1983           HE2      LYS1983 -21.450 -17.776   0.872
  739    HE3  LYS1983           HE1      LYS1983 -21.152 -19.510   0.797
  740    HZ1  LYS1983           HZ1      LYS1983 -22.617 -18.905   2.621
  741    HZ2  LYS1983           HZ2      LYS1983 -21.444 -17.935   3.321
  742    HZ3  LYS1983           HZ3      LYS1983 -21.203 -19.606   3.208
  743    H    MET1984           HN       MET1984 -15.793 -13.630   2.048
  744    HA   MET1984           HA       MET1984 -13.654 -14.310   3.744
  745    HB2  MET1984           HB2      MET1984 -12.035 -14.250   1.931
  746    HB3  MET1984           HB1      MET1984 -13.188 -15.533   1.626
  747    HG2  MET1984           HG2      MET1984 -14.334 -14.114   0.001
  748    HG3  MET1984           HG1      MET1984 -13.172 -12.824   0.319
  749    HE1  MET1984           HE1      MET1984 -13.806 -13.937  -2.565
  750    HE2  MET1984           HE2      MET1984 -12.189 -14.065  -3.259
  751    HE3  MET1984           HE3      MET1984 -12.617 -12.668  -2.271
  752    H    LYS1985           HN       LYS1985 -12.061 -12.562   2.998
  753    HA   LYS1985           HA       LYS1985 -13.568 -10.041   3.155
  754    HB2  LYS1985           HB2      LYS1985 -10.932 -10.736   4.436
  755    HB3  LYS1985           HB1      LYS1985 -11.652  -9.131   4.446
  756    HG2  LYS1985           HG2      LYS1985 -13.549  -9.953   5.695
  757    HG3  LYS1985           HG1      LYS1985 -12.914 -11.597   5.620
  758    HD2  LYS1985           HD2      LYS1985 -10.985 -10.947   6.906
  759    HD3  LYS1985           HD1      LYS1985 -11.513  -9.266   6.902
  760    HE2  LYS1985           HE2      LYS1985 -12.053 -10.263   9.018
  761    HE3  LYS1985           HE1      LYS1985 -13.533  -9.926   8.134
  762    HZ1  LYS1985           HZ1      LYS1985 -13.613 -12.057   9.201
  763    HZ2  LYS1985           HZ2      LYS1985 -12.215 -12.566   8.417
  764    HZ3  LYS1985           HZ3      LYS1985 -13.641 -12.287   7.531
  765    H    HIS1986           HN       HIS1986 -12.342  -8.152   2.462
  766    HA   HIS1986           HA       HIS1986 -11.543  -8.348  -0.214
  767    HB2  HIS1986           HB2      HIS1986 -12.497  -6.346   1.046
  768    HB3  HIS1986           HB1      HIS1986 -10.893  -6.107   1.713
  769    HD1  HIS1986           HD1      HIS1986 -12.960  -4.771  -0.716
  770    HD2  HIS1986           HD2      HIS1986  -8.964  -5.911  -0.754
  771    HE1  HIS1986           HE1      HIS1986 -11.911  -3.497  -2.601
  772    HE2  HIS1986           HE2      HIS1986  -9.564  -4.363  -2.742
  773    H    LYS1987           HN       LYS1987  -9.576  -8.759  -1.080
  774    HA   LYS1987           HA       LYS1987  -7.270  -8.969   0.746
  775    HB2  LYS1987           HB2      LYS1987  -7.783 -10.413  -1.867
  776    HB3  LYS1987           HB1      LYS1987  -6.367 -10.615  -0.851
  777    HG2  LYS1987           HG2      LYS1987  -7.739 -11.563   0.919
  778    HG3  LYS1987           HG1      LYS1987  -9.190 -11.295  -0.046
  779    HD2  LYS1987           HD2      LYS1987  -8.467 -13.623  -0.187
  780    HD3  LYS1987           HD1      LYS1987  -8.334 -12.832  -1.756
  781    HE2  LYS1987           HE2      LYS1987  -6.376 -14.170  -1.426
  782    HE3  LYS1987           HE1      LYS1987  -5.911 -12.479  -1.294
  783    HZ1  LYS1987           HZ1      LYS1987  -4.844 -13.718   0.422
  784    HZ2  LYS1987           HZ2      LYS1987  -6.292 -14.420   0.909
  785    HZ3  LYS1987           HZ3      LYS1987  -6.031 -12.788   1.205
  786    H    SER1988           HN       SER1988  -6.234  -6.989   0.500
  787    HA   SER1988           HA       SER1988  -5.855  -6.111  -2.246
  788    HB2  SER1988           HB2      SER1988  -7.103  -4.566  -0.860
  789    HB3  SER1988           HB1      SER1988  -5.821  -4.587   0.355
  790    HG   SER1988           HG       SER1988  -4.614  -3.337  -0.905
  791    H    TYR1989           HN       TYR1989  -3.964  -6.530  -3.043
  792    HA   TYR1989           HA       TYR1989  -1.651  -6.983  -1.319
  793    HB2  TYR1989           HB2      TYR1989  -2.279  -7.809  -4.160
  794    HB3  TYR1989           HB1      TYR1989  -0.702  -8.021  -3.412
  795    HD1  TYR1989           HD2      TYR1989  -4.264  -8.967  -3.140
  796    HD2  TYR1989           HD1      TYR1989  -0.266  -9.931  -2.067
  797    HE1  TYR1989           HE2      TYR1989  -5.027 -11.122  -2.259
  798    HE2  TYR1989           HE1      TYR1989  -1.024 -12.092  -1.177
  799    HH   TYR1989           HH       TYR1989  -4.121 -13.304  -1.844
  800    H    PHE1990           HN       PHE1990  -0.263  -5.349  -1.196
  801    HA   PHE1990           HA       PHE1990  -0.237  -3.495  -3.446
  802    HB2  PHE1990           HB2      PHE1990  -0.647  -2.895  -0.826
  803    HB3  PHE1990           HB1      PHE1990   1.100  -2.706  -0.938
  804    HD1  PHE1990           HD2      PHE1990   1.870  -1.398  -3.117
  805    HD2  PHE1990           HD1      PHE1990  -1.929  -1.031  -1.251
  806    HE1  PHE1990           HE2      PHE1990   1.597   0.828  -4.121
  807    HE2  PHE1990           HE1      PHE1990  -2.206   1.195  -2.248
  808    HZ   PHE1990           HZ       PHE1990  -0.546   2.100  -3.715
  809    H    SER1991           HN       SER1991   1.461  -3.452  -4.630
  810    HA   SER1991           HA       SER1991   3.845  -4.885  -3.757
  811    HB2  SER1991           HB2      SER1991   4.324  -5.035  -6.252
  812    HB3  SER1991           HB1      SER1991   2.952  -5.976  -5.677
  813    HG   SER1991           HG       SER1991   1.782  -3.864  -6.300
  814    H    PHE1992           HN       PHE1992   5.426  -3.653  -3.192
  815    HA   PHE1992           HA       PHE1992   5.553  -0.936  -4.213
  816    HB2  PHE1992           HB2      PHE1992   6.972  -2.230  -1.867
  817    HB3  PHE1992           HB1      PHE1992   7.089  -0.530  -2.317
  818    HD1  PHE1992           HD1      PHE1992   4.960  -3.103  -0.846
  819    HD2  PHE1992           HD2      PHE1992   5.259   0.982  -1.943
  820    HE1  PHE1992           HE1      PHE1992   2.966  -2.604   0.480
  821    HE2  PHE1992           HE2      PHE1992   3.265   1.486  -0.609
  822    HZ   PHE1992           HZ       PHE1992   2.113  -0.308   0.606
  823    H    VAL1993           HN       VAL1993   6.767  -0.632  -5.843
  824    HA   VAL1993           HA       VAL1993   9.050  -2.376  -6.302
  825    HB   VAL1993           HB       VAL1993   7.446  -3.008  -7.931
  826   HG11  VAL1993          HG11      VAL1993   5.862  -1.226  -7.657
  827   HG12  VAL1993          HG12      VAL1993   6.229  -1.440  -9.368
  828   HG13  VAL1993          HG13      VAL1993   6.942  -0.094  -8.472
  829   HG21  VAL1993          HG21      VAL1993   9.234  -0.978  -9.260
  830   HG22  VAL1993          HG22      VAL1993   8.375  -2.281 -10.084
  831   HG23  VAL1993          HG23      VAL1993   9.649  -2.660  -8.919
  832    H    CYS1994           HN       CYS1994  10.908  -1.490  -6.825
  833    HA   CYS1994           HA       CYS1994  11.261   1.273  -6.250
  834    HB2  CYS1994           HB2      CYS1994  13.723   0.531  -6.539
  835    HB3  CYS1994           HB1      CYS1994  12.804  -0.050  -5.158
  836    H    LYS1995           HN       LYS1995  11.725   2.873  -7.616
  837    HA   LYS1995           HA       LYS1995  12.500   2.233 -10.355
  838    HB2  LYS1995           HB2      LYS1995   9.973   2.772 -10.080
  839    HB3  LYS1995           HB1      LYS1995  10.492   4.398  -9.671
  840    HG2  LYS1995           HG2      LYS1995  11.566   4.590 -11.886
  841    HG3  LYS1995           HG1      LYS1995  10.976   2.974 -12.290
  842    HD2  LYS1995           HD2      LYS1995   8.654   3.852 -11.771
  843    HD3  LYS1995           HD1      LYS1995   9.371   5.459 -11.744
  844    HE2  LYS1995           HE2      LYS1995   9.332   3.541 -14.081
  845    HE3  LYS1995           HE1      LYS1995   8.346   4.983 -13.905
  846    HZ1  LYS1995           HZ1      LYS1995  10.054   5.561 -15.324
  847    HZ2  LYS1995           HZ2      LYS1995  11.242   4.774 -14.450
  848    HZ3  LYS1995           HZ3      LYS1995  10.605   6.222 -13.863
  849    H    SER1996           HN       SER1996  13.951   3.755 -11.138
  850    HA   SER1996           HA       SER1996  15.553   5.052  -9.283
  851    HB2  SER1996           HB2      SER1996  15.396   5.559 -12.256
  852    HB3  SER1996           HB1      SER1996  16.745   5.993 -11.200
  853    HG   SER1996           HG       SER1996  16.958   3.774 -10.700
  854    H    ASP1997           HN       ASP1997  13.033   6.521 -11.327
  855    HA   ASP1997           HA       ASP1997  13.516   9.101 -10.024
  856    HB2  ASP1997           HB2      ASP1997  11.910  10.017 -11.656
  857    HB3  ASP1997           HB1      ASP1997  13.205   9.126 -12.454
  858    H    ALA1998           HN       ALA1998  11.075   6.610 -10.263
  859    HA   ALA1998           HA       ALA1998   9.294   6.010  -9.077
  860    HB1  ALA1998           HB1      ALA1998   9.168   6.545  -6.729
  861    HB2  ALA1998           HB2      ALA1998  10.279   7.904  -6.956
  862    HB3  ALA1998           HB3      ALA1998  10.843   6.250  -7.211
  863    H    GLY1999           HN       GLY1999   9.337   8.791 -10.630
  864    HA2  GLY1999           HA2      GLY1999   7.608  10.003 -11.408
  865    HA3  GLY1999           HA1      GLY1999   6.554   9.176 -10.267
  866    H    ASP2000           HN       ASP2000   5.552  11.141  -9.788
  867    HA   ASP2000           HA       ASP2000   7.095  13.287  -8.687
  868    HB2  ASP2000           HB2      ASP2000   5.338  13.822 -10.234
  869    HB3  ASP2000           HB1      ASP2000   4.139  13.010  -9.240
  870    H    ASP2001           HN       ASP2001   7.798  12.201  -7.115
  871    HA   ASP2001           HA       ASP2001   8.161  11.878  -4.853
  872    HB2  ASP2001           HB2      ASP2001   6.675  13.930  -4.521
  873    HB3  ASP2001           HB1      ASP2001   5.358  12.744  -4.393
  874    H    SER2002           HN       SER2002   8.099   9.723  -5.800
  875    HA   SER2002           HA       SER2002   7.497   7.562  -5.885
  876    HB2  SER2002           HB2      SER2002   6.736   8.104  -3.017
  877    HB3  SER2002           HB1      SER2002   7.216   6.550  -3.706
  878    HG   SER2002           HG       SER2002   8.733   8.863  -3.237
  879    H    GLN2003           HN       GLN2003   5.771   7.943  -7.335
  880    HA   GLN2003           HA       GLN2003   3.137   7.922  -6.096
  881    HB2  GLN2003           HB2      GLN2003   2.230   8.431  -8.356
  882    HB3  GLN2003           HB1      GLN2003   3.315   9.647  -7.711
  883    HG2  GLN2003           HG2      GLN2003   5.099   8.826  -9.146
  884    HG3  GLN2003           HG1      GLN2003   4.027   7.569  -9.768
  885   HE21  GLN2003          HE21      GLN2003   2.402   8.127 -11.186
  886   HE22  GLN2003          HE22      GLN2003   2.292   9.666 -11.927
  887    HA   PRO2004           HA       PRO2004   2.411   3.741  -7.371
  888    HB2  PRO2004           HB2      PRO2004  -0.079   3.664  -6.165
  889    HB3  PRO2004           HB1      PRO2004   1.457   3.414  -5.330
  890    HG2  PRO2004           HG2      PRO2004  -0.355   5.616  -4.974
  891    HG3  PRO2004           HG1      PRO2004   1.244   5.389  -4.246
  892    HD2  PRO2004           HD2      PRO2004   0.445   6.959  -6.634
  893    HD3  PRO2004           HD1      PRO2004   1.757   7.245  -5.472
  894    H    VAL2005           HN       VAL2005   0.897   2.490  -8.514
  895    HA   VAL2005           HA       VAL2005  -1.035   3.935 -10.204
  896    HB   VAL2005           HB       VAL2005   0.648   1.550 -11.047
  897   HG11  VAL2005          HG11      VAL2005  -0.147   2.043 -13.313
  898   HG12  VAL2005          HG12      VAL2005  -1.142   3.347 -12.660
  899   HG13  VAL2005          HG13      VAL2005  -1.463   1.677 -12.195
  900   HG21  VAL2005          HG21      VAL2005   1.904   3.055 -12.525
  901   HG22  VAL2005          HG22      VAL2005   2.133   3.455 -10.821
  902   HG23  VAL2005          HG23      VAL2005   1.059   4.435 -11.821
  903    H    PHE2006           HN       PHE2006  -3.034   2.873 -10.232
  904    HA   PHE2006           HA       PHE2006  -3.229   0.536  -8.590
  905    HB2  PHE2006           HB2      PHE2006  -5.648   0.504  -9.033
  906    HB3  PHE2006           HB1      PHE2006  -5.165   2.139  -8.642
  907    HD1  PHE2006           HD2      PHE2006  -5.223   3.876 -10.366
  908    HD2  PHE2006           HD1      PHE2006  -6.503  -0.087 -11.181
  909    HE1  PHE2006           HE2      PHE2006  -6.343   4.662 -12.400
  910    HE2  PHE2006           HE1      PHE2006  -7.618   0.689 -13.223
  911    HZ   PHE2006           HZ       PHE2006  -7.592   3.045 -13.815
  912    H    LEU2007           HN       LEU2007  -2.842  -1.411  -9.190
  913    HA   LEU2007           HA       LEU2007  -1.960  -1.874 -11.868
  914    HB2  LEU2007           HB2      LEU2007  -1.121  -2.811  -9.575
  915    HB3  LEU2007           HB1      LEU2007  -2.397  -3.959  -9.798
  916    HG   LEU2007           HG       LEU2007  -1.418  -4.699 -11.921
  917   HD11  LEU2007          HD11      LEU2007   0.845  -3.981 -12.501
  918   HD12  LEU2007          HD12      LEU2007   0.843  -2.865 -11.132
  919   HD13  LEU2007          HD13      LEU2007  -0.266  -2.605 -12.478
  920   HD21  LEU2007          HD21      LEU2007  -0.928  -5.846  -9.812
  921   HD22  LEU2007          HD22      LEU2007   0.446  -4.767  -9.555
  922   HD23  LEU2007          HD23      LEU2007   0.449  -5.894 -10.912
  923    H    SER2008           HN       SER2008  -4.200  -3.577  -9.782
  924    HA   SER2008           HA       SER2008  -6.265  -3.606 -11.804
  925    HB2  SER2008           HB2      SER2008  -5.016  -6.208 -10.857
  926    HB3  SER2008           HB1      SER2008  -6.454  -6.070 -11.869
  927    HG   SER2008           HG       SER2008  -4.438  -4.643 -12.927
  928    H    PHE2009           HN       PHE2009  -8.210  -3.556 -10.813
  929    HA   PHE2009           HA       PHE2009  -8.357  -4.437  -8.016
  930    HB2  PHE2009           HB2      PHE2009  -8.828  -1.968  -8.510
  931    HB3  PHE2009           HB1      PHE2009 -10.186  -2.500  -9.484
  932    HD1  PHE2009           HD2      PHE2009 -11.941  -4.026  -8.187
  933    HD2  PHE2009           HD1      PHE2009  -9.160  -1.400  -6.324
  934    HE1  PHE2009           HE2      PHE2009 -13.351  -3.970  -6.179
  935    HE2  PHE2009           HE1      PHE2009 -10.571  -1.333  -4.311
  936    HZ   PHE2009           HZ       PHE2009 -12.672  -2.617  -4.237
  937    H    ASP2010           HN       ASP2010  -9.433  -6.324  -7.896
  938    HA   ASP2010           HA       ASP2010 -11.217  -6.978 -10.130
  939    HB2  ASP2010           HB2      ASP2010  -9.584  -8.869  -8.411
  940    HB3  ASP2010           HB1      ASP2010 -10.759  -9.367  -9.612
  941    H    GLU2011           HN       GLU2011 -13.119  -6.227  -9.196
  942    HA   GLU2011           HA       GLU2011 -13.788  -6.898  -6.522
  943    HB2  GLU2011           HB2      GLU2011 -16.085  -6.139  -7.067
  944    HB3  GLU2011           HB1      GLU2011 -14.857  -4.964  -7.501
  945    HG2  GLU2011           HG2      GLU2011 -15.072  -5.520  -9.822
  946    HG3  GLU2011           HG1      GLU2011 -16.161  -6.857  -9.443
  947    H    GLN2012           HN       GLN2012 -13.950  -8.574  -9.471
  948    HA   GLN2012           HA       GLN2012 -15.929 -10.490  -9.093
  949    HB2  GLN2012           HB2      GLN2012 -14.588 -10.220 -11.151
  950    HB3  GLN2012           HB1      GLN2012 -13.190 -10.882 -10.320
  951    HG2  GLN2012           HG2      GLN2012 -14.134 -12.575 -11.708
  952    HG3  GLN2012           HG1      GLN2012 -14.424 -13.000 -10.023
  953   HE21  GLN2012          HE21      GLN2012 -16.229 -10.590 -11.808
  954   HE22  GLN2012          HE22      GLN2012 -17.720 -11.436 -11.838
  955    H    THR2013           HN       THR2013 -12.631 -10.411  -7.832
  956    HA   THR2013           HA       THR2013 -13.383 -12.610  -6.082
  957    HB   THR2013           HB       THR2013 -11.790 -13.533  -7.597
  958    HG1  THR2013           HG1      THR2013 -10.877 -12.993  -5.042
  959   HG21  THR2013          HG21      THR2013  -9.560 -12.581  -7.997
  960   HG22  THR2013          HG22      THR2013  -9.990 -11.188  -7.003
  961   HG23  THR2013          HG23      THR2013 -10.847 -11.491  -8.513
  962    H    CYS2014           HN       CYS2014 -13.253  -9.544  -6.038
  963    HA   CYS2014           HA       CYS2014 -13.054  -7.902  -4.546
  964    HB2  CYS2014           HB2      CYS2014 -13.037 -10.187  -2.581
  965    HB3  CYS2014           HB1      CYS2014 -13.455  -8.510  -2.225
  966    H    THR2015           HN       THR2015 -10.587  -8.931  -5.637
  967    HA   THR2015           HA       THR2015  -8.665  -8.366  -3.498
  968    HB   THR2015           HB       THR2015  -7.034  -9.212  -5.224
  969    HG1  THR2015           HG1      THR2015  -7.839  -9.489  -7.172
  970   HG21  THR2015          HG21      THR2015  -7.572 -11.589  -4.905
  971   HG22  THR2015          HG22      THR2015  -9.204 -11.154  -4.400
  972   HG23  THR2015          HG23      THR2015  -7.820 -10.682  -3.413
  973    H    SER2016           HN       SER2016  -6.882  -7.063  -4.123
  974    HA   SER2016           HA       SER2016  -7.322  -5.208  -6.290
  975    HB2  SER2016           HB2      SER2016  -6.893  -4.356  -3.412
  976    HB3  SER2016           HB1      SER2016  -7.059  -3.287  -4.810
  977    HG   SER2016           HG       SER2016  -9.099  -4.724  -5.009
  978    H    TYR2017           HN       TYR2017  -5.397  -4.728  -7.176
  979    HA   TYR2017           HA       TYR2017  -2.967  -5.411  -5.685
  980    HB2  TYR2017           HB2      TYR2017  -3.478  -5.775  -8.654
  981    HB3  TYR2017           HB1      TYR2017  -1.981  -6.145  -7.810
  982    HD1  TYR2017           HD2      TYR2017  -1.834  -8.107  -6.351
  983    HD2  TYR2017           HD1      TYR2017  -5.363  -7.266  -8.562
  984    HE1  TYR2017           HE2      TYR2017  -2.613 -10.397  -5.965
  985    HE2  TYR2017           HE1      TYR2017  -6.152  -9.559  -8.180
  986    HH   TYR2017           HH       TYR2017  -4.712 -11.583  -5.883
  987    H    PHE2018           HN       PHE2018  -1.670  -3.701  -5.558
  988    HA   PHE2018           HA       PHE2018  -1.932  -1.606  -7.610
  989    HB2  PHE2018           HB2      PHE2018  -1.579  -1.029  -4.655
  990    HB3  PHE2018           HB1      PHE2018  -1.793   0.142  -5.945
  991    HD1  PHE2018           HD2      PHE2018  -4.054  -0.188  -7.315
  992    HD2  PHE2018           HD1      PHE2018  -3.394  -1.519  -3.331
  993    HE1  PHE2018           HE2      PHE2018  -6.480  -0.204  -6.922
  994    HE2  PHE2018           HE1      PHE2018  -5.817  -1.534  -2.932
  995    HZ   PHE2018           HZ       PHE2018  -7.358  -0.866  -4.686
  996    H    SER2019           HN       SER2019   0.039  -0.493  -8.038
  997    HA   SER2019           HA       SER2019   2.381  -1.721  -6.796
  998    HB2  SER2019           HB2      SER2019   1.978  -0.969  -9.708
  999    HB3  SER2019           HB1      SER2019   3.516  -1.501  -9.041
 1000    HG   SER2019           HG       SER2019   2.252  -3.418  -8.311
 1001    H    TRP2020           HN       TRP2020   3.577  -0.330  -5.759
 1002    HA   TRP2020           HA       TRP2020   3.225   2.558  -6.234
 1003    HB2  TRP2020           HB2      TRP2020   2.840   1.397  -3.940
 1004    HB3  TRP2020           HB1      TRP2020   4.590   1.308  -3.867
 1005    HD1  TRP2020           HD1      TRP2020   5.394   4.214  -4.815
 1006    HE1  TRP2020           HE1      TRP2020   4.757   6.273  -3.384
 1007    HE3  TRP2020           HE3      TRP2020   1.623   2.192  -2.047
 1008    HZ2  TRP2020           HZ2      TRP2020   2.978   6.918  -1.359
 1009    HZ3  TRP2020           HZ3      TRP2020   0.514   3.597  -0.379
 1010    HH2  TRP2020           HH2      TRP2020   1.178   5.909  -0.041
 1011    H    HIS2021           HN       HIS2021   4.955   3.648  -7.101
 1012    HA   HIS2021           HA       HIS2021   7.454   2.180  -7.311
 1013    HB2  HIS2021           HB2      HIS2021   6.488   4.695  -8.716
 1014    HB3  HIS2021           HB1      HIS2021   8.121   4.063  -8.886
 1015    HD1  HIS2021           HD1      HIS2021   4.862   3.886 -10.480
 1016    HD2  HIS2021           HD2      HIS2021   8.078   1.293  -9.978
 1017    HE1  HIS2021           HE1      HIS2021   4.538   2.073 -12.156
 1018    HE2  HIS2021           HE2      HIS2021   6.292   0.385 -11.606
 1019    H    THR2022           HN       THR2022   8.711   2.384  -5.638
 1020    HA   THR2022           HA       THR2022   9.359   5.021  -4.635
 1021    HB   THR2022           HB       THR2022   7.641   4.557  -3.086
 1022    HG1  THR2022           HG1      THR2022   9.611   5.175  -2.060
 1023   HG21  THR2022          HG21      THR2022   7.255   2.202  -3.577
 1024   HG22  THR2022          HG22      THR2022   7.401   2.443  -1.836
 1025   HG23  THR2022          HG23      THR2022   8.750   1.767  -2.749
 1026    H    SER2023           HN       SER2023  11.362   5.113  -3.469
 1027    HA   SER2023           HA       SER2023  13.310   3.344  -4.553
 1028    HB2  SER2023           HB2      SER2023  13.634   5.577  -2.561
 1029    HB3  SER2023           HB1      SER2023  14.864   4.895  -3.621
 1030    HG   SER2023           HG       SER2023  14.114   6.013  -5.258
 1031    H    LEU2024           HN       LEU2024  11.590   3.524  -1.533
 1032    HA   LEU2024           HA       LEU2024  13.686   2.200  -0.011
 1033    HB2  LEU2024           HB2      LEU2024  10.854   2.901   0.811
 1034    HB3  LEU2024           HB1      LEU2024  12.066   2.238   1.871
 1035    HG   LEU2024           HG       LEU2024  11.909   4.521   2.422
 1036   HD11  LEU2024          HD11      LEU2024  14.056   5.478   1.878
 1037   HD12  LEU2024          HD12      LEU2024  14.293   4.239   0.644
 1038   HD13  LEU2024          HD13      LEU2024  14.167   3.780   2.343
 1039   HD21  LEU2024          HD21      LEU2024  12.055   6.349   0.801
 1040   HD22  LEU2024          HD22      LEU2024  10.676   5.295   0.474
 1041   HD23  LEU2024          HD23      LEU2024  12.128   5.175  -0.515
 1042    H    ALA2025           HN       ALA2025  11.140   1.346  -1.947
 1043    HA   ALA2025           HA       ALA2025   9.986  -0.920  -0.816
 1044    HB1  ALA2025           HB1      ALA2025  10.369  -0.285  -3.708
 1045    HB2  ALA2025           HB2      ALA2025   9.084   0.334  -2.672
 1046    HB3  ALA2025           HB3      ALA2025   9.182  -1.393  -3.021
 1047    H    CYS2026           HN       CYS2026  12.505  -0.862  -3.348
 1048    HA   CYS2026           HA       CYS2026  13.561  -3.322  -2.332
 1049    HB2  CYS2026           HB2      CYS2026  13.458  -4.395  -4.620
 1050    HB3  CYS2026           HB1      CYS2026  11.946  -4.309  -3.737
 1051    H    GLU2027           HN       GLU2027  15.373  -4.019  -4.123
 1052    HA   GLU2027           HA       GLU2027  16.489  -1.721  -5.339
 1053    HB2  GLU2027           HB2      GLU2027  17.209  -1.532  -2.958
 1054    HB3  GLU2027           HB1      GLU2027  18.052  -3.064  -3.145
 1055    HG2  GLU2027           HG2      GLU2027  19.489  -2.100  -4.824
 1056    HG3  GLU2027           HG1      GLU2027  18.605  -0.573  -4.728
 1057    H    GLU2028           HN       GLU2028  15.871  -3.287  -6.984
 1058    HA   GLU2028           HA       GLU2028  18.010  -5.231  -7.450
 1059    HB2  GLU2028           HB2      GLU2028  16.685  -6.001  -9.383
 1060    HB3  GLU2028           HB1      GLU2028  15.721  -6.031  -7.919
 1061    HG2  GLU2028           HG2      GLU2028  14.556  -4.043  -8.587
 1062    HG3  GLU2028           HG1      GLU2028  15.619  -3.855  -9.985
 1063    H    GLU2029           HN       GLU2029  16.851  -2.179  -8.288
 1064    HA   GLU2029           HA       GLU2029  19.108  -1.566 -10.029
 1065    HB2  GLU2029           HB2      GLU2029  16.178  -0.835 -10.366
 1066    HB3  GLU2029           HB1      GLU2029  17.482   0.032 -11.157
 1067    HG2  GLU2029           HG2      GLU2029  16.860  -2.884 -11.547
 1068    HG3  GLU2029           HG1      GLU2029  16.361  -1.577 -12.628
 1069    H    VAL2030           HN       VAL2030  19.602   0.626  -9.814
 1070    HA   VAL2030           HA       VAL2030  19.308   1.490  -7.065
 1071    HB   VAL2030           HB       VAL2030  20.649   2.966  -9.354
 1072   HG11  VAL2030          HG11      VAL2030  21.857   4.161  -7.585
 1073   HG12  VAL2030          HG12      VAL2030  20.919   3.299  -6.365
 1074   HG13  VAL2030          HG13      VAL2030  20.116   4.414  -7.467
 1075   HG21  VAL2030          HG21      VAL2030  21.666   0.777  -9.030
 1076   HG22  VAL2030          HG22      VAL2030  21.847   1.101  -7.308
 1077   HG23  VAL2030          HG23      VAL2030  22.753   2.054  -8.483
 1078    HA   PRO2031           HA       PRO2031  15.751   3.985  -8.190
 1079    HB2  PRO2031           HB2      PRO2031  14.450   3.690  -5.905
 1080    HB3  PRO2031           HB1      PRO2031  14.641   2.310  -6.995
 1081    HG2  PRO2031           HG2      PRO2031  16.065   2.916  -4.446
 1082    HG3  PRO2031           HG1      PRO2031  15.575   1.350  -5.111
 1083    HD2  PRO2031           HD2      PRO2031  18.160   2.518  -5.303
 1084    HD3  PRO2031           HD1      PRO2031  17.555   1.105  -6.175
 1085    H    ARG2032           HN       ARG2032  18.380   4.649  -6.536
 1086    HA   ARG2032           HA       ARG2032  17.391   6.931  -5.031
 1087    HB2  ARG2032           HB2      ARG2032  20.115   5.634  -5.043
 1088    HB3  ARG2032           HB1      ARG2032  19.587   6.930  -3.980
 1089    HG2  ARG2032           HG2      ARG2032  17.868   5.390  -3.056
 1090    HG3  ARG2032           HG1      ARG2032  18.579   4.097  -4.026
 1091    HD2  ARG2032           HD2      ARG2032  19.454   4.005  -1.783
 1092    HD3  ARG2032           HD1      ARG2032  20.733   4.486  -2.900
 1093    HE   ARG2032           HE       ARG2032  19.349   6.693  -1.700
 1094   HH11  ARG2032          HH11      ARG2032  22.119   4.499  -1.402
 1095   HH12  ARG2032          HH12      ARG2032  22.923   5.440  -0.245
 1096   HH21  ARG2032          HH21      ARG2032  20.428   7.979  -0.054
 1097   HH22  ARG2032          HH22      ARG2032  21.916   7.442   0.564
  Start of MODEL    2
    1    H1   MET1885           HT1      MET1885  15.948   5.924   4.584
    2    H2   MET1885           HT2      MET1885  16.855   6.328   3.247
    3    H3   MET1885           HT3      MET1885  15.308   5.658   3.061
    4    HA   MET1885           HA       MET1885  16.011   8.285   4.211
    5    HB2  MET1885           HB2      MET1885  16.016   8.302   1.766
    6    HB3  MET1885           HB1      MET1885  14.441   7.525   1.733
    7    HG2  MET1885           HG2      MET1885  14.284   9.906   1.227
    8    HG3  MET1885           HG1      MET1885  13.415   9.494   2.700
    9    HE1  MET1885           HE1      MET1885  16.657  11.167   1.196
   10    HE2  MET1885           HE2      MET1885  17.326   9.937   2.268
   11    HE3  MET1885           HE3      MET1885  17.518  11.648   2.659
   12    H    LYS1886           HN       LYS1886  14.865   8.753   5.841
   13    HA   LYS1886           HA       LYS1886  12.280   7.441   6.279
   14    HB2  LYS1886           HB2      LYS1886  14.153   8.824   8.189
   15    HB3  LYS1886           HB1      LYS1886  12.633   8.064   8.625
   16    HG2  LYS1886           HG2      LYS1886  13.492   5.895   8.001
   17    HG3  LYS1886           HG1      LYS1886  14.990   6.624   7.423
   18    HD2  LYS1886           HD2      LYS1886  13.993   6.783  10.267
   19    HD3  LYS1886           HD1      LYS1886  15.169   5.602   9.690
   20    HE2  LYS1886           HE2      LYS1886  16.687   7.419   9.067
   21    HE3  LYS1886           HE1      LYS1886  15.498   8.602   9.610
   22    HZ1  LYS1886           HZ1      LYS1886  16.684   6.541  11.382
   23    HZ2  LYS1886           HZ2      LYS1886  15.751   7.856  11.852
   24    HZ3  LYS1886           HZ3      LYS1886  17.304   8.102  11.230
   25    H    SER1887           HN       SER1887  10.702   8.725   5.490
   26    HA   SER1887           HA       SER1887  10.754  11.591   5.857
   27    HB2  SER1887           HB2      SER1887   9.706  10.573   3.839
   28    HB3  SER1887           HB1      SER1887   8.540   9.765   4.886
   29    HG   SER1887           HG       SER1887   8.895  12.549   4.647
   30    H    ASN1888           HN       ASN1888   8.883   8.829   7.051
   31    HA   ASN1888           HA       ASN1888   8.253  10.294   9.512
   32    HB2  ASN1888           HB2      ASN1888   6.288  10.238   7.935
   33    HB3  ASN1888           HB1      ASN1888   6.414   8.486   7.948
   34   HD21  ASN1888          HD21      ASN1888   4.234  10.199   8.718
   35   HD22  ASN1888          HD22      ASN1888   3.855   9.798  10.364
   36    H    VAL1889           HN       VAL1889   8.916   9.105  11.179
   37    HA   VAL1889           HA       VAL1889   9.421   6.248  10.703
   38    HB   VAL1889           HB       VAL1889  10.591   7.909  12.857
   39   HG11  VAL1889          HG11      VAL1889  11.370   5.218  11.740
   40   HG12  VAL1889          HG12      VAL1889  10.620   5.535  13.304
   41   HG13  VAL1889          HG13      VAL1889  12.267   6.083  12.989
   42   HG21  VAL1889          HG21      VAL1889  11.822   7.265  10.186
   43   HG22  VAL1889          HG22      VAL1889  12.674   8.032  11.530
   44   HG23  VAL1889          HG23      VAL1889  11.313   8.852  10.755
   45    H    GLN1890           HN       GLN1890   7.819   5.056  11.497
   46    HA   GLN1890           HA       GLN1890   6.842   5.790  14.173
   47    HB2  GLN1890           HB2      GLN1890   5.443   4.063  12.119
   48    HB3  GLN1890           HB1      GLN1890   4.839   4.444  13.723
   49    HG2  GLN1890           HG2      GLN1890   4.932   6.939  12.876
   50    HG3  GLN1890           HG1      GLN1890   5.029   6.153  11.288
   51   HE21  GLN1890          HE21      GLN1890   2.915   7.828  12.419
   52   HE22  GLN1890          HE22      GLN1890   1.502   6.845  12.305
   53    H    ASN1891           HN       ASN1891   9.110   4.233  13.012
   54    HA   ASN1891           HA       ASN1891  10.564   2.684  13.759
   55    HB2  ASN1891           HB2      ASN1891   9.864   3.124  16.043
   56    HB3  ASN1891           HB1      ASN1891   8.499   2.028  15.868
   57   HD21  ASN1891          HD21      ASN1891  11.950   2.268  16.116
   58   HD22  ASN1891          HD22      ASN1891  12.233   0.647  16.634
   59    H    ASP1892           HN       ASP1892   7.306   1.543  13.259
   60    HA   ASP1892           HA       ASP1892   7.991  -1.144  12.641
   61    HB2  ASP1892           HB2      ASP1892   5.698  -1.311  11.887
   62    HB3  ASP1892           HB1      ASP1892   5.747  -0.431  13.408
   63    H    CYS1893           HN       CYS1893   6.972  -1.813  10.438
   64    HA   CYS1893           HA       CYS1893   7.167  -2.022   8.209
   65    HB2  CYS1893           HB2      CYS1893   5.917   0.142   8.320
   66    HB3  CYS1893           HB1      CYS1893   7.446   0.988   8.234
   67    H    ARG1894           HN       ARG1894   9.190  -2.832   9.266
   68    HA   ARG1894           HA       ARG1894  11.536  -1.827   7.899
   69    HB2  ARG1894           HB2      ARG1894  11.617  -0.581   9.904
   70    HB3  ARG1894           HB1      ARG1894  11.065  -1.930  10.867
   71    HG2  ARG1894           HG2      ARG1894  13.226  -3.010  10.596
   72    HG3  ARG1894           HG1      ARG1894  13.773  -1.669   9.580
   73    HD2  ARG1894           HD2      ARG1894  14.466  -1.578  12.016
   74    HD3  ARG1894           HD1      ARG1894  13.682  -0.138  11.374
   75    HE   ARG1894           HE       ARG1894  11.775  -0.614  12.626
   76   HH11  ARG1894          HH11      ARG1894  14.250  -3.097  13.239
   77   HH12  ARG1894          HH12      ARG1894  13.569  -3.598  14.708
   78   HH21  ARG1894          HH21      ARG1894  10.889  -1.276  14.668
   79   HH22  ARG1894          HH22      ARG1894  11.617  -2.526  15.553
   80    H    VAL1895           HN       VAL1895  12.152  -3.639   6.859
   81    HA   VAL1895           HA       VAL1895  12.591  -6.086   8.386
   82    HB   VAL1895           HB       VAL1895  10.326  -6.321   7.331
   83   HG11  VAL1895          HG11      VAL1895  10.087  -6.548   4.914
   84   HG12  VAL1895          HG12      VAL1895  11.768  -6.056   4.715
   85   HG13  VAL1895          HG13      VAL1895  10.590  -4.929   5.405
   86   HG21  VAL1895          HG21      VAL1895  12.407  -8.151   6.142
   87   HG22  VAL1895          HG22      VAL1895  10.679  -8.486   6.227
   88   HG23  VAL1895          HG23      VAL1895  11.621  -8.335   7.711
   89    H    THR1896           HN       THR1896  14.316  -7.405   7.414
   90    HA   THR1896           HA       THR1896  15.848  -5.838   5.452
   91    HB   THR1896           HB       THR1896  17.003  -7.737   7.507
   92    HG1  THR1896           HG1      THR1896  15.940  -5.974   8.534
   93   HG21  THR1896          HG21      THR1896  18.414  -7.223   5.548
   94   HG22  THR1896          HG22      THR1896  19.081  -6.511   7.019
   95   HG23  THR1896          HG23      THR1896  18.217  -5.499   5.861
   96    H    ASN1897           HN       ASN1897  16.295  -6.846   3.557
   97    HA   ASN1897           HA       ASN1897  15.784  -9.737   3.388
   98    HB2  ASN1897           HB2      ASN1897  14.524  -8.351   1.786
   99    HB3  ASN1897           HB1      ASN1897  16.037  -7.704   1.160
  100   HD21  ASN1897          HD21      ASN1897  15.791  -8.517  -0.969
  101   HD22  ASN1897          HD22      ASN1897  15.738 -10.210  -1.261
  102    HA   PRO1898           HA       PRO1898  20.259 -10.037   3.483
  103    HB2  PRO1898           HB2      PRO1898  20.312 -12.764   3.097
  104    HB3  PRO1898           HB1      PRO1898  20.078 -11.987   4.665
  105    HG2  PRO1898           HG2      PRO1898  18.043 -13.123   2.790
  106    HG3  PRO1898           HG1      PRO1898  18.131 -13.244   4.558
  107    HD2  PRO1898           HD2      PRO1898  16.460 -11.536   3.343
  108    HD3  PRO1898           HD1      PRO1898  17.273 -11.116   4.868
  109    H    ALA1899           HN       ALA1899  18.181 -11.312   0.954
  110    HA   ALA1899           HA       ALA1899  20.242 -11.944  -0.883
  111    HB1  ALA1899           HB1      ALA1899  17.989 -12.887  -1.079
  112    HB2  ALA1899           HB2      ALA1899  18.485 -12.076  -2.564
  113    HB3  ALA1899           HB3      ALA1899  17.357 -11.286  -1.461
  114    H    THR1900           HN       THR1900  18.059  -9.146  -0.689
  115    HA   THR1900           HA       THR1900  19.427  -7.722  -2.737
  116    HB   THR1900           HB       THR1900  17.603  -6.557  -0.616
  117    HG1  THR1900           HG1      THR1900  16.978  -7.775  -3.150
  118   HG21  THR1900          HG21      THR1900  18.177  -5.785  -3.470
  119   HG22  THR1900          HG22      THR1900  18.766  -4.953  -2.024
  120   HG23  THR1900          HG23      THR1900  17.033  -4.994  -2.382
  121    H    GLY1901           HN       GLY1901  19.654  -7.889   0.786
  122    HA2  GLY1901           HA2      GLY1901  21.421  -7.232   2.118
  123    HA3  GLY1901           HA1      GLY1901  22.133  -6.393   0.740
  124    H    HIS1902           HN       HIS1902  18.940  -5.672   0.960
  125    HA   HIS1902           HA       HIS1902  19.587  -3.091   2.215
  126    HB2  HIS1902           HB2      HIS1902  18.972  -3.080  -0.250
  127    HB3  HIS1902           HB1      HIS1902  17.365  -3.600   0.231
  128    HD1  HIS1902           HD1      HIS1902  15.696  -1.691   0.790
  129    HD2  HIS1902           HD2      HIS1902  19.669  -0.432   0.761
  130    HE1  HIS1902           HE1      HIS1902  15.622   0.774   0.948
  131    HE2  HIS1902           HE2      HIS1902  17.966   1.455   0.446
  132    H    LEU1903           HN       LEU1903  18.391  -2.414   3.776
  133    HA   LEU1903           HA       LEU1903  16.352  -4.111   4.945
  134    HB2  LEU1903           HB2      LEU1903  18.213  -2.929   6.256
  135    HB3  LEU1903           HB1      LEU1903  17.437  -1.422   5.856
  136    HG   LEU1903           HG       LEU1903  16.154  -3.596   7.538
  137   HD11  LEU1903          HD11      LEU1903  17.564  -1.074   8.378
  138   HD12  LEU1903          HD12      LEU1903  18.134  -2.724   8.624
  139   HD13  LEU1903          HD13      LEU1903  16.676  -2.164   9.442
  140   HD21  LEU1903          HD21      LEU1903  14.532  -2.068   6.490
  141   HD22  LEU1903          HD22      LEU1903  15.409  -0.689   7.157
  142   HD23  LEU1903          HD23      LEU1903  14.611  -1.831   8.236
  143    H    PHE1904           HN       PHE1904  14.285  -3.725   4.508
  144    HA   PHE1904           HA       PHE1904  13.667  -1.445   2.817
  145    HB2  PHE1904           HB2      PHE1904  11.948  -3.844   3.473
  146    HB3  PHE1904           HB1      PHE1904  11.632  -2.631   2.249
  147    HD1  PHE1904           HD2      PHE1904  14.502  -2.554   1.119
  148    HD2  PHE1904           HD1      PHE1904  11.875  -5.743   2.125
  149    HE1  PHE1904           HE2      PHE1904  15.616  -3.993  -0.534
  150    HE2  PHE1904           HE1      PHE1904  12.969  -7.181   0.483
  151    HZ   PHE1904           HZ       PHE1904  14.853  -6.311  -0.860
  152    H    ASP1905           HN       ASP1905  13.302   0.231   4.123
  153    HA   ASP1905           HA       ASP1905  11.080  -0.111   5.936
  154    HB2  ASP1905           HB2      ASP1905  11.945   1.604   7.447
  155    HB3  ASP1905           HB1      ASP1905  13.133   0.330   7.284
  156    H    LEU1906           HN       LEU1906   9.436   0.817   5.251
  157    HA   LEU1906           HA       LEU1906   9.676   2.758   3.091
  158    HB2  LEU1906           HB2      LEU1906   7.232   1.367   4.177
  159    HB3  LEU1906           HB1      LEU1906   7.303   2.345   2.720
  160    HG   LEU1906           HG       LEU1906   8.753  -0.273   3.132
  161   HD11  LEU1906          HD11      LEU1906   6.313   0.383   1.511
  162   HD12  LEU1906          HD12      LEU1906   6.365  -0.591   2.985
  163   HD13  LEU1906          HD13      LEU1906   7.168  -1.157   1.515
  164   HD21  LEU1906          HD21      LEU1906   9.946   1.225   1.608
  165   HD22  LEU1906          HD22      LEU1906   8.471   1.449   0.665
  166   HD23  LEU1906          HD23      LEU1906   9.237  -0.137   0.739
  167    H    THR1907           HN       THR1907  10.545   3.957   5.147
  168    HA   THR1907           HA       THR1907   8.637   5.144   6.847
  169    HB   THR1907           HB       THR1907  10.733   6.611   7.314
  170    HG1  THR1907           HG1      THR1907  12.379   4.634   6.365
  171   HG21  THR1907          HG21      THR1907  10.777   3.616   7.767
  172   HG22  THR1907          HG22      THR1907   9.942   4.791   8.784
  173   HG23  THR1907          HG23      THR1907  11.703   4.809   8.678
  174    H    SER1908           HN       SER1908  10.080   5.994   3.766
  175    HA   SER1908           HA       SER1908   8.962   8.628   3.791
  176    HB2  SER1908           HB2      SER1908  10.272   7.021   1.614
  177    HB3  SER1908           HB1      SER1908   9.599   8.631   1.346
  178    HG   SER1908           HG       SER1908  11.404   9.273   1.980
  179    H    LEU1909           HN       LEU1909   7.526   5.592   3.347
  180    HA   LEU1909           HA       LEU1909   5.672   6.573   1.458
  181    HB2  LEU1909           HB2      LEU1909   6.500   4.022   2.617
  182    HB3  LEU1909           HB1      LEU1909   4.862   4.148   2.060
  183    HG   LEU1909           HG       LEU1909   5.856   4.867  -0.199
  184   HD11  LEU1909          HD11      LEU1909   8.052   5.543   0.555
  185   HD12  LEU1909          HD12      LEU1909   8.169   4.276  -0.669
  186   HD13  LEU1909          HD13      LEU1909   8.416   3.884   1.032
  187   HD21  LEU1909          HD21      LEU1909   4.988   2.653   0.119
  188   HD22  LEU1909          HD22      LEU1909   6.510   2.124   0.824
  189   HD23  LEU1909          HD23      LEU1909   6.440   2.595  -0.877
  190    H    LYS1910           HN       LYS1910   5.822   5.360   4.785
  191    HA   LYS1910           HA       LYS1910   3.084   5.928   5.279
  192    HB2  LYS1910           HB2      LYS1910   3.594   5.777   7.695
  193    HB3  LYS1910           HB1      LYS1910   4.156   4.389   6.789
  194    HG2  LYS1910           HG2      LYS1910   6.375   4.913   7.131
  195    HG3  LYS1910           HG1      LYS1910   6.030   6.625   7.416
  196    HD2  LYS1910           HD2      LYS1910   6.614   5.466   9.507
  197    HD3  LYS1910           HD1      LYS1910   4.966   6.083   9.530
  198    HE2  LYS1910           HE2      LYS1910   4.902   3.935  10.499
  199    HE3  LYS1910           HE1      LYS1910   4.211   3.775   8.890
  200    HZ1  LYS1910           HZ1      LYS1910   6.253   2.820   8.116
  201    HZ2  LYS1910           HZ2      LYS1910   5.724   2.024   9.548
  202    HZ3  LYS1910           HZ3      LYS1910   6.990   3.128   9.619
  203    H    ARG1911           HN       ARG1911   2.087   7.670   6.137
  204    HA   ARG1911           HA       ARG1911   3.623   9.935   6.905
  205    HB2  ARG1911           HB2      ARG1911   2.406  11.403   5.214
  206    HB3  ARG1911           HB1      ARG1911   3.739  10.420   4.637
  207    HG2  ARG1911           HG2      ARG1911   1.992   8.731   3.902
  208    HG3  ARG1911           HG1      ARG1911   0.801  10.004   4.207
  209    HD2  ARG1911           HD2      ARG1911   1.561   9.931   1.851
  210    HD3  ARG1911           HD1      ARG1911   1.908  11.474   2.645
  211    HE   ARG1911           HE       ARG1911   4.105   9.796   2.990
  212   HH11  ARG1911          HH11      ARG1911   2.572  11.565   0.297
  213   HH12  ARG1911          HH12      ARG1911   4.062  11.724  -0.525
  214   HH21  ARG1911          HH21      ARG1911   6.010   9.988   1.819
  215   HH22  ARG1911          HH22      ARG1911   6.016  10.716   0.276
  216    H    GLU1912           HN       GLU1912   2.085  11.824   7.290
  217    HA   GLU1912           HA       GLU1912   0.510  11.030   9.455
  218    HB2  GLU1912           HB2      GLU1912  -0.095  13.399   9.636
  219    HB3  GLU1912           HB1      GLU1912   1.629  13.147   9.419
  220    HG2  GLU1912           HG2      GLU1912   1.223  13.606   6.950
  221    HG3  GLU1912           HG1      GLU1912  -0.366  14.192   7.442
  222    H    SER1913           HN       SER1913  -0.465  11.787   6.157
  223    HA   SER1913           HA       SER1913  -3.231  11.381   7.001
  224    HB2  SER1913           HB2      SER1913  -2.799  13.550   5.903
  225    HB3  SER1913           HB1      SER1913  -2.141  12.717   4.500
  226    HG   SER1913           HG       SER1913  -4.784  13.010   5.358
  227    H    GLY1914           HN       GLY1914  -1.228  10.758   4.077
  228    HA2  GLY1914           HA2      GLY1914  -0.969   8.180   3.910
  229    HA3  GLY1914           HA1      GLY1914  -2.725   8.281   3.721
  230    H    TYR1915           HN       TYR1915  -2.591   7.409   1.682
  231    HA   TYR1915           HA       TYR1915  -1.485   9.165  -0.369
  232    HB2  TYR1915           HB2      TYR1915  -1.755   6.175  -0.318
  233    HB3  TYR1915           HB1      TYR1915  -1.556   7.070  -1.816
  234    HD1  TYR1915           HD2      TYR1915   0.476   8.880  -1.573
  235    HD2  TYR1915           HD1      TYR1915   0.100   5.203   0.498
  236    HE1  TYR1915           HE2      TYR1915   2.911   8.849  -1.191
  237    HE2  TYR1915           HE1      TYR1915   2.519   5.162   0.900
  238    HH   TYR1915           HH       TYR1915   4.584   6.175  -0.189
  239    H    THR1916           HN       THR1916  -2.848   9.679  -2.066
  240    HA   THR1916           HA       THR1916  -5.462   8.458  -2.275
  241    HB   THR1916           HB       THR1916  -5.784  10.272  -0.602
  242    HG1  THR1916           HG1      THR1916  -7.483  11.011  -1.472
  243   HG21  THR1916          HG21      THR1916  -3.892  11.632  -1.191
  244   HG22  THR1916          HG22      THR1916  -5.385  12.598  -1.208
  245   HG23  THR1916          HG23      THR1916  -4.644  12.057  -2.729
  246    H    ILE1917           HN       ILE1917  -6.130   8.216  -3.974
  247    HA   ILE1917           HA       ILE1917  -5.157   9.628  -6.280
  248    HB   ILE1917           HB       ILE1917  -4.936   7.343  -7.327
  249   HG12  ILE1917          HG12      ILE1917  -4.470   6.534  -4.461
  250   HG13  ILE1917          HG11      ILE1917  -5.688   5.915  -5.566
  251   HG21  ILE1917          HG21      ILE1917  -2.734   8.378  -5.537
  252   HG22  ILE1917          HG22      ILE1917  -3.044   8.835  -7.211
  253   HG23  ILE1917          HG23      ILE1917  -2.481   7.208  -6.833
  254   HD11  ILE1917          HD11      ILE1917  -3.903   4.307  -5.233
  255   HD12  ILE1917          HD12      ILE1917  -2.716   5.492  -5.766
  256   HD13  ILE1917          HD13      ILE1917  -3.909   4.872  -6.910
  257    H    THR1918           HN       THR1918  -6.478   8.723  -8.215
  258    HA   THR1918           HA       THR1918  -9.201   8.282  -7.273
  259    HB   THR1918           HB       THR1918  -8.201   8.894 -10.085
  260    HG1  THR1918           HG1      THR1918  -8.575  11.054  -9.570
  261   HG21  THR1918          HG21      THR1918 -10.942   9.213  -8.819
  262   HG22  THR1918          HG22      THR1918 -10.499   7.959  -9.976
  263   HG23  THR1918          HG23      THR1918 -10.518   9.652 -10.474
  264    H    ASP1919           HN       ASP1919 -10.436   6.476  -8.063
  265    HA   ASP1919           HA       ASP1919  -8.774   4.163  -8.463
  266    HB2  ASP1919           HB2      ASP1919 -10.521   2.899  -7.724
  267    HB3  ASP1919           HB1      ASP1919 -10.998   4.391  -6.954
  268    H    SER1920           HN       SER1920 -10.506   2.582 -10.003
  269    HA   SER1920           HA       SER1920  -9.570   2.826 -12.523
  270    HB2  SER1920           HB2      SER1920 -12.230   1.675 -11.812
  271    HB3  SER1920           HB1      SER1920 -11.055   1.110 -13.002
  272    HG   SER1920           HG       SER1920 -11.316   0.447 -10.472
  273    H    HIS1921           HN       HIS1921 -12.475   4.497 -11.127
  274    HA   HIS1921           HA       HIS1921 -12.741   6.072 -13.531
  275    HB2  HIS1921           HB2      HIS1921 -13.618   3.855 -14.278
  276    HB3  HIS1921           HB1      HIS1921 -14.931   4.044 -13.131
  277    HD1  HIS1921           HD1      HIS1921 -16.804   5.840 -13.768
  278    HD2  HIS1921           HD2      HIS1921 -13.818   5.318 -16.608
  279    HE1  HIS1921           HE1      HIS1921 -17.710   6.800 -15.875
  280    HE2  HIS1921           HE2      HIS1921 -16.049   6.027 -17.603
  281    H    ASN1922           HN       ASN1922 -14.076   5.235 -10.339
  282    HA   ASN1922           HA       ASN1922 -15.919   7.536 -10.681
  283    HB2  ASN1922           HB2      ASN1922 -16.663   4.868  -9.512
  284    HB3  ASN1922           HB1      ASN1922 -17.650   6.316  -9.377
  285   HD21  ASN1922          HD21      ASN1922 -18.105   3.680 -10.701
  286   HD22  ASN1922          HD22      ASN1922 -18.520   4.099 -12.325
  287    H    ARG1923           HN       ARG1923 -13.939   5.740  -8.448
  288    HA   ARG1923           HA       ARG1923 -14.749   7.625  -6.377
  289    HB2  ARG1923           HB2      ARG1923 -14.306   5.698  -4.717
  290    HB3  ARG1923           HB1      ARG1923 -15.815   5.703  -5.603
  291    HG2  ARG1923           HG2      ARG1923 -13.510   4.141  -6.671
  292    HG3  ARG1923           HG1      ARG1923 -14.416   3.513  -5.296
  293    HD2  ARG1923           HD2      ARG1923 -16.439   3.431  -6.559
  294    HD3  ARG1923           HD1      ARG1923 -15.737   4.383  -7.867
  295    HE   ARG1923           HE       ARG1923 -14.219   2.448  -8.219
  296   HH11  ARG1923          HH11      ARG1923 -17.313   1.777  -6.578
  297   HH12  ARG1923          HH12      ARG1923 -17.583   0.302  -7.354
  298   HH21  ARG1923          HH21      ARG1923 -14.576   0.405  -9.292
  299   HH22  ARG1923          HH22      ARG1923 -15.947  -0.538  -8.967
  300    H    LYS1924           HN       LYS1924 -13.019   7.327  -4.432
  301    HA   LYS1924           HA       LYS1924 -10.460   7.674  -5.831
  302    HB2  LYS1924           HB2      LYS1924  -9.735   9.141  -4.129
  303    HB3  LYS1924           HB1      LYS1924 -11.431   9.569  -4.295
  304    HG2  LYS1924           HG2      LYS1924 -11.993   8.277  -2.336
  305    HG3  LYS1924           HG1      LYS1924 -10.344   7.677  -2.226
  306    HD2  LYS1924           HD2      LYS1924  -9.648  10.117  -1.925
  307    HD3  LYS1924           HD1      LYS1924 -11.370  10.450  -1.675
  308    HE2  LYS1924           HE2      LYS1924 -11.392   8.688   0.094
  309    HE3  LYS1924           HE1      LYS1924  -9.654   8.531  -0.148
  310    HZ1  LYS1924           HZ1      LYS1924  -9.386  10.805   0.571
  311    HZ2  LYS1924           HZ2      LYS1924 -10.078   9.802   1.725
  312    HZ3  LYS1924           HZ3      LYS1924 -11.062  10.928   0.877
  313    H    ILE1925           HN       ILE1925  -8.586   6.761  -4.802
  314    HA   ILE1925           HA       ILE1925  -9.262   4.472  -3.117
  315    HB   ILE1925           HB       ILE1925  -6.723   4.769  -4.764
  316   HG12  ILE1925          HG12      ILE1925  -9.196   3.146  -5.368
  317   HG13  ILE1925          HG11      ILE1925  -8.686   4.581  -6.241
  318   HG21  ILE1925          HG21      ILE1925  -6.589   3.333  -2.791
  319   HG22  ILE1925          HG22      ILE1925  -6.508   2.372  -4.271
  320   HG23  ILE1925          HG23      ILE1925  -8.006   2.439  -3.343
  321   HD11  ILE1925          HD11      ILE1925  -6.642   3.413  -6.983
  322   HD12  ILE1925          HD12      ILE1925  -8.086   2.528  -7.479
  323   HD13  ILE1925          HD13      ILE1925  -7.146   1.979  -6.097
  324    H    GLU1926           HN       GLU1926  -8.865   4.933  -1.189
  325    HA   GLU1926           HA       GLU1926  -6.699   6.793  -0.463
  326    HB2  GLU1926           HB2      GLU1926  -8.958   7.259   0.453
  327    HB3  GLU1926           HB1      GLU1926  -8.937   5.696   1.254
  328    HG2  GLU1926           HG2      GLU1926  -7.067   6.395   2.623
  329    HG3  GLU1926           HG1      GLU1926  -7.006   7.942   1.782
  330    H    LEU1927           HN       LEU1927  -4.855   6.001   0.304
  331    HA   LEU1927           HA       LEU1927  -4.850   3.348   1.601
  332    HB2  LEU1927           HB2      LEU1927  -2.547   4.226  -0.166
  333    HB3  LEU1927           HB1      LEU1927  -2.847   2.667   0.561
  334    HG   LEU1927           HG       LEU1927  -3.062   2.385  -1.704
  335   HD11  LEU1927          HD11      LEU1927  -5.813   2.555  -0.583
  336   HD12  LEU1927          HD12      LEU1927  -4.692   1.193  -0.504
  337   HD13  LEU1927          HD13      LEU1927  -5.357   1.702  -2.056
  338   HD21  LEU1927          HD21      LEU1927  -4.527   3.704  -3.170
  339   HD22  LEU1927          HD22      LEU1927  -3.248   4.673  -2.438
  340   HD23  LEU1927          HD23      LEU1927  -4.895   4.770  -1.815
  341    H    ASN1928           HN       ASN1928  -2.870   3.103   2.917
  342    HA   ASN1928           HA       ASN1928  -1.028   5.243   3.052
  343    HB2  ASN1928           HB2      ASN1928  -2.832   5.999   4.737
  344    HB3  ASN1928           HB1      ASN1928  -2.381   4.590   5.700
  345   HD21  ASN1928          HD21      ASN1928  -1.739   6.116   7.373
  346   HD22  ASN1928          HD22      ASN1928  -0.245   6.963   7.265
  347    H    VAL1929           HN       VAL1929   0.858   4.446   3.326
  348    HA   VAL1929           HA       VAL1929   0.937   1.567   3.574
  349    HB   VAL1929           HB       VAL1929   3.144   3.499   2.810
  350   HG11  VAL1929          HG11      VAL1929   4.054   1.449   3.786
  351   HG12  VAL1929          HG12      VAL1929   4.368   1.515   2.052
  352   HG13  VAL1929          HG13      VAL1929   3.081   0.484   2.679
  353   HG21  VAL1929          HG21      VAL1929   2.799   2.628   0.542
  354   HG22  VAL1929          HG22      VAL1929   1.353   3.418   1.168
  355   HG23  VAL1929          HG23      VAL1929   1.445   1.660   1.126
  356    H    CYS1930           HN       CYS1930   1.293   0.621   5.329
  357    HA   CYS1930           HA       CYS1930   2.209  -0.148   7.205
  358    HB2  CYS1930           HB2      CYS1930   4.285   1.997   6.823
  359    HB3  CYS1930           HB1      CYS1930   4.382   0.718   8.031
  360    H    ALA1931           HN       ALA1931   1.520   3.253   7.203
  361    HA   ALA1931           HA       ALA1931   0.983   3.063  10.056
  362    HB1  ALA1931           HB1      ALA1931   2.406   4.936   9.373
  363    HB2  ALA1931           HB2      ALA1931   0.863   5.515   9.996
  364    HB3  ALA1931           HB3      ALA1931   1.158   5.487   8.257
  365    H    GLU1932           HN       GLU1932  -1.004   3.725  10.792
  366    HA   GLU1932           HA       GLU1932  -3.367   2.902   9.637
  367    HB2  GLU1932           HB2      GLU1932  -3.074   5.273  11.469
  368    HB3  GLU1932           HB1      GLU1932  -4.467   4.220  11.308
  369    HG2  GLU1932           HG2      GLU1932  -3.295   2.413  12.331
  370    HG3  GLU1932           HG1      GLU1932  -1.786   3.328  12.323
  371    H    ALA1933           HN       ALA1933  -4.786   3.783   8.108
  372    HA   ALA1933           HA       ALA1933  -4.027   6.094   6.620
  373    HB1  ALA1933           HB1      ALA1933  -6.640   4.561   6.555
  374    HB2  ALA1933           HB2      ALA1933  -5.225   4.210   5.566
  375    HB3  ALA1933           HB3      ALA1933  -6.097   5.728   5.349
  376    H    LYS1934           HN       LYS1934  -4.377   8.131   7.134
  377    HA   LYS1934           HA       LYS1934  -6.549   8.742   9.028
  378    HB2  LYS1934           HB2      LYS1934  -3.821  10.013   8.793
  379    HB3  LYS1934           HB1      LYS1934  -5.104  10.560   9.866
  380    HG2  LYS1934           HG2      LYS1934  -3.870   7.821   9.975
  381    HG3  LYS1934           HG1      LYS1934  -3.344   9.185  10.957
  382    HD2  LYS1934           HD2      LYS1934  -5.467   9.303  12.051
  383    HD3  LYS1934           HD1      LYS1934  -6.165   8.130  10.934
  384    HE2  LYS1934           HE2      LYS1934  -5.600   7.159  13.135
  385    HE3  LYS1934           HE1      LYS1934  -4.760   6.385  11.796
  386    HZ1  LYS1934           HZ1      LYS1934  -2.786   7.730  12.364
  387    HZ2  LYS1934           HZ2      LYS1934  -3.255   6.708  13.600
  388    HZ3  LYS1934           HZ3      LYS1934  -3.599   8.356  13.716
  389    H    SER1935           HN       SER1935  -6.373   8.816   6.017
  390    HA   SER1935           HA       SER1935  -6.520  11.628   5.517
  391    HB2  SER1935           HB2      SER1935  -5.626  10.028   3.789
  392    HB3  SER1935           HB1      SER1935  -7.237   9.340   3.639
  393    HG   SER1935           HG       SER1935  -7.246  12.065   3.342
  394    H    SER1936           HN       SER1936  -8.968   9.026   4.943
  395    HA   SER1936           HA       SER1936 -10.858  10.632   6.470
  396    HB2  SER1936           HB2      SER1936 -11.389   9.803   3.610
  397    HB3  SER1936           HB1      SER1936 -12.549  10.585   4.688
  398    HG   SER1936           HG       SER1936 -10.329  11.973   4.753
  399    H    CYS1937           HN       CYS1937  -9.616   7.546   5.859
  400    HA   CYS1937           HA       CYS1937 -12.132   6.200   6.305
  401    HB2  CYS1937           HB2      CYS1937 -10.298   5.432   4.690
  402    HB3  CYS1937           HB1      CYS1937  -9.413   4.909   6.117
  403    H    ALA1938           HN       ALA1938 -10.431   7.854   8.249
  404    HA   ALA1938           HA       ALA1938 -10.569   8.207  10.390
  405    HB1  ALA1938           HB1      ALA1938 -12.712   6.998  10.401
  406    HB2  ALA1938           HB2      ALA1938 -11.843   6.932  11.933
  407    HB3  ALA1938           HB3      ALA1938 -11.842   5.535  10.859
  408    H    ASN1939           HN       ASN1939  -9.937   4.711  11.038
  409    HA   ASN1939           HA       ASN1939  -7.475   5.769  12.006
  410    HB2  ASN1939           HB2      ASN1939  -9.206   3.988  13.701
  411    HB3  ASN1939           HB1      ASN1939  -7.538   4.350  14.075
  412   HD21  ASN1939          HD21      ASN1939  -8.056   7.265  13.097
  413   HD22  ASN1939          HD22      ASN1939  -8.892   7.953  14.430
  414    H    GLY1940           HN       GLY1940  -8.714   2.486  12.257
  415    HA2  GLY1940           HA2      GLY1940  -6.024   1.486  11.880
  416    HA3  GLY1940           HA1      GLY1940  -7.430   0.564  12.361
  417    H    ALA1941           HN       ALA1941  -7.955   2.397   9.626
  418    HA   ALA1941           HA       ALA1941  -7.918  -0.011   8.007
  419    HB1  ALA1941           HB1      ALA1941  -8.903   2.765   7.405
  420    HB2  ALA1941           HB2      ALA1941  -9.884   1.413   7.972
  421    HB3  ALA1941           HB3      ALA1941  -9.122   1.347   6.383
  422    H    ALA1942           HN       ALA1942  -7.072   0.282   5.686
  423    HA   ALA1942           HA       ALA1942  -4.820   2.138   5.561
  424    HB1  ALA1942           HB1      ALA1942  -4.550  -0.794   4.944
  425    HB2  ALA1942           HB2      ALA1942  -3.892   0.023   6.360
  426    HB3  ALA1942           HB3      ALA1942  -3.302   0.436   4.750
  427    H    VAL1943           HN       VAL1943  -6.878  -0.198   3.876
  428    HA   VAL1943           HA       VAL1943  -6.556   1.445   1.463
  429    HB   VAL1943           HB       VAL1943  -7.305  -1.488   1.648
  430   HG11  VAL1943          HG11      VAL1943  -6.872   0.268  -0.774
  431   HG12  VAL1943          HG12      VAL1943  -8.418  -0.370  -0.211
  432   HG13  VAL1943          HG13      VAL1943  -7.174  -1.470  -0.804
  433   HG21  VAL1943          HG21      VAL1943  -4.948  -1.140   2.114
  434   HG22  VAL1943          HG22      VAL1943  -4.783  -0.185   0.639
  435   HG23  VAL1943          HG23      VAL1943  -5.162  -1.905   0.541
  436    H    CYS1944           HN       CYS1944  -8.259   2.616   1.161
  437    HA   CYS1944           HA       CYS1944 -10.860   1.440   1.638
  438    HB2  CYS1944           HB2      CYS1944  -9.979   4.125   2.683
  439    HB3  CYS1944           HB1      CYS1944 -11.642   3.537   2.697
  440    H    ILE1945           HN       ILE1945 -11.789   1.397  -0.171
  441    HA   ILE1945           HA       ILE1945 -11.258   3.261  -2.302
  442    HB   ILE1945           HB       ILE1945 -13.396   1.100  -2.070
  443   HG12  ILE1945          HG12      ILE1945 -11.185   0.084  -1.775
  444   HG13  ILE1945          HG11      ILE1945 -11.886  -0.386  -3.316
  445   HG21  ILE1945          HG21      ILE1945 -13.411   1.133  -4.516
  446   HG22  ILE1945          HG22      ILE1945 -12.238   2.450  -4.496
  447   HG23  ILE1945          HG23      ILE1945 -13.853   2.697  -3.827
  448   HD11  ILE1945          HD11      ILE1945  -9.758   1.704  -2.897
  449   HD12  ILE1945          HD12      ILE1945 -10.454   1.244  -4.451
  450   HD13  ILE1945          HD13      ILE1945  -9.512   0.073  -3.523
  451    H    THR1946           HN       THR1946 -12.099   5.233  -1.914
  452    HA   THR1946           HA       THR1946 -14.476   5.387  -0.230
  453    HB   THR1946           HB       THR1946 -12.643   7.644  -1.027
  454    HG1  THR1946           HG1      THR1946 -11.690   5.690   0.153
  455   HG21  THR1946          HG21      THR1946 -14.842   8.263  -0.048
  456   HG22  THR1946          HG22      THR1946 -13.504   8.670   1.027
  457   HG23  THR1946          HG23      THR1946 -14.486   7.245   1.350
  458    H    ASP1947           HN       ASP1947 -16.287   5.485  -1.286
  459    HA   ASP1947           HA       ASP1947 -16.389   6.763  -3.912
  460    HB2  ASP1947           HB2      ASP1947 -17.069   4.387  -3.809
  461    HB3  ASP1947           HB1      ASP1947 -18.279   4.795  -2.602
  462    H    GLY1948           HN       GLY1948 -16.689   8.821  -3.372
  463    HA2  GLY1948           HA2      GLY1948 -17.776  10.720  -2.656
  464    HA3  GLY1948           HA1      GLY1948 -19.206   9.716  -2.421
  465    HA   PRO1949           HA       PRO1949 -18.137  10.460   1.909
  466    HB2  PRO1949           HB2      PRO1949 -20.836   9.601   2.523
  467    HB3  PRO1949           HB1      PRO1949 -20.136  11.214   2.677
  468    HG2  PRO1949           HG2      PRO1949 -22.069  10.577   0.851
  469    HG3  PRO1949           HG1      PRO1949 -20.883  11.873   0.616
  470    HD2  PRO1949           HD2      PRO1949 -20.897   9.090  -0.479
  471    HD3  PRO1949           HD1      PRO1949 -20.455  10.613  -1.279
  472    H    LYS1950           HN       LYS1950 -19.313   7.663   0.294
  473    HA   LYS1950           HA       LYS1950 -19.239   5.997   2.659
  474    HB2  LYS1950           HB2      LYS1950 -21.057   5.660   1.035
  475    HB3  LYS1950           HB1      LYS1950 -19.883   5.269  -0.208
  476    HG2  LYS1950           HG2      LYS1950 -21.060   3.307   0.789
  477    HG3  LYS1950           HG1      LYS1950 -19.300   3.226   0.885
  478    HD2  LYS1950           HD2      LYS1950 -19.319   3.831   3.187
  479    HD3  LYS1950           HD1      LYS1950 -21.030   4.247   3.129
  480    HE2  LYS1950           HE2      LYS1950 -19.989   1.473   2.602
  481    HE3  LYS1950           HE1      LYS1950 -20.437   2.037   4.210
  482    HZ1  LYS1950           HZ1      LYS1950 -22.638   2.511   3.382
  483    HZ2  LYS1950           HZ2      LYS1950 -22.267   0.873   3.214
  484    HZ3  LYS1950           HZ3      LYS1950 -22.298   1.870   1.859
  485    H    THR1951           HN       THR1951 -17.433   5.298   3.348
  486    HA   THR1951           HA       THR1951 -15.154   5.067   1.548
  487    HB   THR1951           HB       THR1951 -15.209   4.915   4.564
  488    HG1  THR1951           HG1      THR1951 -16.042   6.894   3.103
  489   HG21  THR1951          HG21      THR1951 -12.920   5.769   4.318
  490   HG22  THR1951          HG22      THR1951 -13.121   5.806   2.564
  491   HG23  THR1951          HG23      THR1951 -13.122   4.266   3.420
  492    H    LEU1952           HN       LEU1952 -15.032   3.017   0.685
  493    HA   LEU1952           HA       LEU1952 -15.986   0.726   2.171
  494    HB2  LEU1952           HB2      LEU1952 -16.554   0.801  -0.159
  495    HB3  LEU1952           HB1      LEU1952 -14.886   1.058  -0.616
  496    HG   LEU1952           HG       LEU1952 -14.340  -1.231   0.109
  497   HD11  LEU1952          HD11      LEU1952 -16.120  -2.810   0.624
  498   HD12  LEU1952          HD12      LEU1952 -17.296  -1.491   0.608
  499   HD13  LEU1952          HD13      LEU1952 -16.017  -1.523   1.824
  500   HD21  LEU1952          HD21      LEU1952 -16.628  -1.054  -1.844
  501   HD22  LEU1952          HD22      LEU1952 -15.491  -2.396  -1.709
  502   HD23  LEU1952          HD23      LEU1952 -14.922  -0.805  -2.215
  503    H    ASN1953           HN       ASN1953 -14.707  -0.050   3.641
  504    HA   ASN1953           HA       ASN1953 -11.825   0.135   3.386
  505    HB2  ASN1953           HB2      ASN1953 -12.862   0.551   5.579
  506    HB3  ASN1953           HB1      ASN1953 -13.527  -1.076   5.570
  507   HD21  ASN1953          HD21      ASN1953 -10.271  -0.206   4.495
  508   HD22  ASN1953          HD22      ASN1953  -9.473  -1.087   5.733
  509    H    ALA1954           HN       ALA1954 -11.102  -1.225   1.893
  510    HA   ALA1954           HA       ALA1954 -12.107  -3.939   1.727
  511    HB1  ALA1954           HB1      ALA1954 -11.596  -2.709  -0.335
  512    HB2  ALA1954           HB2      ALA1954 -10.597  -4.157  -0.191
  513    HB3  ALA1954           HB3      ALA1954  -9.909  -2.574   0.166
  514    H    GLY1955           HN       GLY1955  -9.323  -2.203   2.900
  515    HA2  GLY1955           HA2      GLY1955  -8.399  -4.647   4.179
  516    HA3  GLY1955           HA1      GLY1955  -7.276  -3.798   3.125
  517    H    LYS1956           HN       LYS1956  -7.815  -4.265   6.175
  518    HA   LYS1956           HA       LYS1956  -7.636  -1.532   7.091
  519    HB2  LYS1956           HB2      LYS1956  -7.474  -2.500   9.329
  520    HB3  LYS1956           HB1      LYS1956  -8.852  -3.152   8.455
  521    HG2  LYS1956           HG2      LYS1956  -7.634  -5.195   8.008
  522    HG3  LYS1956           HG1      LYS1956  -6.201  -4.535   8.803
  523    HD2  LYS1956           HD2      LYS1956  -8.870  -4.952  10.129
  524    HD3  LYS1956           HD1      LYS1956  -7.512  -6.072  10.233
  525    HE2  LYS1956           HE2      LYS1956  -7.437  -3.191  11.106
  526    HE3  LYS1956           HE1      LYS1956  -7.719  -4.554  12.185
  527    HZ1  LYS1956           HZ1      LYS1956  -5.521  -5.416  11.551
  528    HZ2  LYS1956           HZ2      LYS1956  -5.451  -3.940  12.315
  529    HZ3  LYS1956           HZ3      LYS1956  -5.186  -4.008  10.663
  530    H    LEU1957           HN       LEU1957  -5.795  -1.223   8.824
  531    HA   LEU1957           HA       LEU1957  -3.418  -1.472   7.291
  532    HB2  LEU1957           HB2      LEU1957  -3.955   0.571   8.615
  533    HB3  LEU1957           HB1      LEU1957  -3.799  -0.355  10.099
  534    HG   LEU1957           HG       LEU1957  -1.911   1.188   9.546
  535   HD11  LEU1957          HD11      LEU1957  -1.500  -0.671  11.048
  536   HD12  LEU1957          HD12      LEU1957  -0.096  -0.336  10.030
  537   HD13  LEU1957          HD13      LEU1957  -1.138  -1.712   9.667
  538   HD21  LEU1957          HD21      LEU1957  -1.424  -0.749   7.298
  539   HD22  LEU1957          HD22      LEU1957  -0.330   0.540   7.805
  540   HD23  LEU1957          HD23      LEU1957  -1.917   0.936   7.148
  541    H    SER1958           HN       SER1958  -2.502  -3.333   7.152
  542    HA   SER1958           HA       SER1958  -1.815  -4.708   9.615
  543    HB2  SER1958           HB2      SER1958  -1.534  -6.691   7.952
  544    HB3  SER1958           HB1      SER1958  -3.174  -6.222   8.396
  545    HG   SER1958           HG       SER1958  -1.905  -6.089   5.954
  546    H    LYS1959           HN       LYS1959   0.143  -3.916  10.056
  547    HA   LYS1959           HA       LYS1959   1.868  -3.173   7.872
  548    HB2  LYS1959           HB2      LYS1959   3.371  -2.194   9.654
  549    HB3  LYS1959           HB1      LYS1959   1.758  -1.501   9.592
  550    HG2  LYS1959           HG2      LYS1959   1.080  -2.833  11.468
  551    HG3  LYS1959           HG1      LYS1959   2.693  -3.597  11.520
  552    HD2  LYS1959           HD2      LYS1959   2.526  -1.887  13.250
  553    HD3  LYS1959           HD1      LYS1959   3.627  -1.329  11.993
  554    HE2  LYS1959           HE2      LYS1959   1.890   0.070  11.048
  555    HE3  LYS1959           HE1      LYS1959   0.718  -0.539  12.219
  556    HZ1  LYS1959           HZ1      LYS1959   1.539   1.612  12.859
  557    HZ2  LYS1959           HZ2      LYS1959   3.137   1.095  12.792
  558    HZ3  LYS1959           HZ3      LYS1959   2.101   0.473  13.975
  559    H    THR1960           HN       THR1960   2.031  -5.388   7.207
  560    HA   THR1960           HA       THR1960   4.454  -6.491   8.353
  561    HB   THR1960           HB       THR1960   2.735  -7.970   9.187
  562    HG1  THR1960           HG1      THR1960   3.626  -9.613   7.126
  563   HG21  THR1960          HG21      THR1960   1.220  -9.234   7.696
  564   HG22  THR1960          HG22      THR1960   1.842  -8.333   6.313
  565   HG23  THR1960          HG23      THR1960   0.944  -7.496   7.578
  566    H    LEU1961           HN       LEU1961   5.990  -6.627   6.974
  567    HA   LEU1961           HA       LEU1961   5.460  -6.265   4.174
  568    HB2  LEU1961           HB2      LEU1961   7.714  -5.676   6.028
  569    HB3  LEU1961           HB1      LEU1961   7.979  -5.771   4.313
  570    HG   LEU1961           HG       LEU1961   6.311  -3.882   4.058
  571   HD11  LEU1961          HD11      LEU1961   5.836  -2.521   6.064
  572   HD12  LEU1961          HD12      LEU1961   6.490  -3.849   7.055
  573   HD13  LEU1961          HD13      LEU1961   5.064  -4.105   6.067
  574   HD21  LEU1961          HD21      LEU1961   8.695  -3.462   3.995
  575   HD22  LEU1961          HD22      LEU1961   8.741  -3.335   5.754
  576   HD23  LEU1961          HD23      LEU1961   7.857  -2.137   4.806
  577    H    THR1962           HN       THR1962   6.203  -7.739   2.779
  578    HA   THR1962           HA       THR1962   7.774  -9.920   3.810
  579    HB   THR1962           HB       THR1962   5.730 -10.860   4.151
  580    HG1  THR1962           HG1      THR1962   5.582 -11.878   1.608
  581   HG21  THR1962          HG21      THR1962   3.744 -10.631   2.678
  582   HG22  THR1962          HG22      THR1962   4.704  -9.544   1.643
  583   HG23  THR1962          HG23      THR1962   4.388  -9.115   3.332
  584    H    TYR1963           HN       TYR1963   9.418 -10.149   2.556
  585    HA   TYR1963           HA       TYR1963   9.322  -9.119  -0.132
  586    HB2  TYR1963           HB2      TYR1963  11.810  -9.754  -0.172
  587    HB3  TYR1963           HB1      TYR1963  11.341  -8.484   0.944
  588    HD1  TYR1963           HD1      TYR1963  12.471 -11.957   0.636
  589    HD2  TYR1963           HD2      TYR1963  11.531  -8.821   3.346
  590    HE1  TYR1963           HE1      TYR1963  13.563 -13.197   2.441
  591    HE2  TYR1963           HE2      TYR1963  12.626 -10.057   5.163
  592    HH   TYR1963           HH       TYR1963  14.629 -12.682   4.531
  593    H    GLU1964           HN       GLU1964   8.871 -10.225  -1.787
  594    HA   GLU1964           HA       GLU1964   9.280 -13.117  -1.867
  595    HB2  GLU1964           HB2      GLU1964   6.693 -11.665  -2.453
  596    HB3  GLU1964           HB1      GLU1964   7.013 -13.337  -2.869
  597    HG2  GLU1964           HG2      GLU1964   7.082 -13.969  -0.581
  598    HG3  GLU1964           HG1      GLU1964   7.052 -12.286  -0.058
  599    H    ASP1965           HN       ASP1965  10.073 -13.644  -3.790
  600    HA   ASP1965           HA       ASP1965  10.694 -13.593  -6.016
  601    HB2  ASP1965           HB2      ASP1965   8.512 -11.495  -6.373
  602    HB3  ASP1965           HB1      ASP1965   9.315 -12.370  -7.661
  603    H    GLN1966           HN       GLN1966  11.727 -11.670  -3.938
  604    HA   GLN1966           HA       GLN1966  13.198 -10.069  -3.696
  605    HB2  GLN1966           HB2      GLN1966  13.509 -10.364  -6.673
  606    HB3  GLN1966           HB1      GLN1966  14.399  -9.134  -5.783
  607    HG2  GLN1966           HG2      GLN1966  15.429 -10.829  -4.403
  608    HG3  GLN1966           HG1      GLN1966  14.476 -12.080  -5.193
  609   HE21  GLN1966          HE21      GLN1966  17.035  -9.752  -5.617
  610   HE22  GLN1966          HE22      GLN1966  17.748 -10.524  -6.987
  611    H    VAL1967           HN       VAL1967  10.329  -9.619  -4.503
  612    HA   VAL1967           HA       VAL1967  10.467  -6.712  -4.820
  613    HB   VAL1967           HB       VAL1967   8.148  -8.626  -5.342
  614   HG11  VAL1967          HG11      VAL1967   8.330  -5.666  -5.871
  615   HG12  VAL1967          HG12      VAL1967   7.347  -6.455  -4.637
  616   HG13  VAL1967          HG13      VAL1967   6.996  -6.723  -6.343
  617   HG21  VAL1967          HG21      VAL1967   9.880  -7.149  -7.319
  618   HG22  VAL1967          HG22      VAL1967   8.451  -8.102  -7.717
  619   HG23  VAL1967          HG23      VAL1967   9.871  -8.888  -7.031
  620    H    LEU1968           HN       LEU1968   9.392  -5.519  -3.213
  621    HA   LEU1968           HA       LEU1968   8.933  -6.962  -0.759
  622    HB2  LEU1968           HB2      LEU1968  10.182  -4.852  -0.740
  623    HB3  LEU1968           HB1      LEU1968   8.805  -4.024  -1.433
  624    HG   LEU1968           HG       LEU1968   7.515  -4.508   0.623
  625   HD11  LEU1968          HD11      LEU1968  10.144  -5.534   1.660
  626   HD12  LEU1968          HD12      LEU1968   8.702  -6.506   1.357
  627   HD13  LEU1968          HD13      LEU1968   8.691  -5.265   2.617
  628   HD21  LEU1968          HD21      LEU1968   8.619  -2.382   0.364
  629   HD22  LEU1968          HD22      LEU1968  10.123  -3.063   0.972
  630   HD23  LEU1968          HD23      LEU1968   8.729  -2.906   2.047
  631    H    LYS1969           HN       LYS1969   6.976  -7.809  -0.435
  632    HA   LYS1969           HA       LYS1969   4.700  -6.479  -1.702
  633    HB2  LYS1969           HB2      LYS1969   4.942  -9.280  -0.619
  634    HB3  LYS1969           HB1      LYS1969   3.475  -8.578  -1.266
  635    HG2  LYS1969           HG2      LYS1969   4.557  -8.408  -3.469
  636    HG3  LYS1969           HG1      LYS1969   6.007  -9.171  -2.792
  637    HD2  LYS1969           HD2      LYS1969   4.638 -11.092  -2.099
  638    HD3  LYS1969           HD1      LYS1969   3.241 -10.354  -2.866
  639    HE2  LYS1969           HE2      LYS1969   4.285 -10.556  -5.034
  640    HE3  LYS1969           HE1      LYS1969   5.772 -11.166  -4.298
  641    HZ1  LYS1969           HZ1      LYS1969   3.105 -12.470  -4.237
  642    HZ2  LYS1969           HZ2      LYS1969   4.429 -13.021  -3.384
  643    HZ3  LYS1969           HZ3      LYS1969   4.452 -13.052  -5.084
  644    H    LEU1970           HN       LEU1970   2.845  -6.205  -0.493
  645    HA   LEU1970           HA       LEU1970   2.765  -6.819   2.305
  646    HB2  LEU1970           HB2      LEU1970   4.010  -4.531   1.834
  647    HB3  LEU1970           HB1      LEU1970   2.405  -3.946   1.478
  648    HG   LEU1970           HG       LEU1970   3.369  -5.026   4.121
  649   HD11  LEU1970          HD11      LEU1970   4.293  -2.873   3.604
  650   HD12  LEU1970          HD12      LEU1970   3.094  -2.732   4.889
  651   HD13  LEU1970          HD13      LEU1970   2.687  -2.238   3.246
  652   HD21  LEU1970          HD21      LEU1970   0.690  -3.831   3.409
  653   HD22  LEU1970          HD22      LEU1970   1.223  -4.285   5.028
  654   HD23  LEU1970          HD23      LEU1970   0.994  -5.523   3.794
  655    H    VAL1971           HN       VAL1971   0.656  -7.427   2.564
  656    HA   VAL1971           HA       VAL1971  -1.248  -6.291   0.669
  657    HB   VAL1971           HB       VAL1971  -2.614  -8.349   0.839
  658   HG11  VAL1971          HG11      VAL1971  -1.180  -9.801  -0.508
  659   HG12  VAL1971          HG12      VAL1971   0.218  -8.822  -0.055
  660   HG13  VAL1971          HG13      VAL1971  -1.084  -8.115  -1.010
  661   HG21  VAL1971          HG21      VAL1971  -0.274  -9.482   2.379
  662   HG22  VAL1971          HG22      VAL1971  -1.656 -10.404   1.788
  663   HG23  VAL1971          HG23      VAL1971  -1.885  -9.166   3.024
  664    H    TYR1972           HN       TYR1972  -2.840  -5.201   1.403
  665    HA   TYR1972           HA       TYR1972  -3.370  -5.255   4.284
  666    HB2  TYR1972           HB2      TYR1972  -4.166  -3.155   2.216
  667    HB3  TYR1972           HB1      TYR1972  -4.626  -3.132   3.918
  668    HD1  TYR1972           HD2      TYR1972  -2.634  -3.252   5.588
  669    HD2  TYR1972           HD1      TYR1972  -2.304  -2.062   1.539
  670    HE1  TYR1972           HE2      TYR1972  -0.562  -2.059   6.120
  671    HE2  TYR1972           HE1      TYR1972  -0.232  -0.865   2.052
  672    HH   TYR1972           HH       TYR1972   0.748   0.185   4.082
  673    H    GLU1973           HN       GLU1973  -5.018  -6.308   4.967
  674    HA   GLU1973           HA       GLU1973  -7.203  -6.890   3.113
  675    HB2  GLU1973           HB2      GLU1973  -7.200  -9.198   3.912
  676    HB3  GLU1973           HB1      GLU1973  -5.734  -8.778   3.033
  677    HG2  GLU1973           HG2      GLU1973  -4.614  -8.448   5.242
  678    HG3  GLU1973           HG1      GLU1973  -6.067  -9.092   6.006
  679    H    ASP1974           HN       ASP1974  -8.994  -7.855   4.210
  680    HA   ASP1974           HA       ASP1974 -10.613  -8.069   5.737
  681    HB2  ASP1974           HB2      ASP1974  -8.991  -9.045   7.276
  682    HB3  ASP1974           HB1      ASP1974  -8.505  -7.445   7.816
  683    H    GLY1975           HN       GLY1975 -12.244  -6.882   6.228
  684    HA2  GLY1975           HA2      GLY1975 -12.315  -4.403   7.402
  685    HA3  GLY1975           HA1      GLY1975 -12.180  -4.133   5.661
  686    H    ASP1976           HN       ASP1976 -14.058  -3.896   4.709
  687    HA   ASP1976           HA       ASP1976 -16.397  -5.216   5.889
  688    HB2  ASP1976           HB2      ASP1976 -16.557  -2.763   5.617
  689    HB3  ASP1976           HB1      ASP1976 -16.248  -2.935   3.894
  690    HA   PRO1977           HA       PRO1977 -16.038  -8.178   2.545
  691    HB2  PRO1977           HB2      PRO1977 -18.802  -8.870   3.355
  692    HB3  PRO1977           HB1      PRO1977 -17.369  -9.898   3.266
  693    HG2  PRO1977           HG2      PRO1977 -18.366  -9.133   5.619
  694    HG3  PRO1977           HG1      PRO1977 -16.615  -9.256   5.359
  695    HD2  PRO1977           HD2      PRO1977 -18.357  -6.823   5.402
  696    HD3  PRO1977           HD1      PRO1977 -16.743  -7.066   6.102
  697    H    CYS1978           HN       CYS1978 -16.481  -7.897   0.422
  698    HA   CYS1978           HA       CYS1978 -18.593  -6.037  -0.222
  699    HB2  CYS1978           HB2      CYS1978 -16.475  -7.274  -2.003
  700    HB3  CYS1978           HB1      CYS1978 -17.522  -5.924  -2.406
  701    HA   PRO1979           HA       PRO1979 -21.691  -8.818  -1.504
  702    HB2  PRO1979           HB2      PRO1979 -21.443  -7.904  -4.316
  703    HB3  PRO1979           HB1      PRO1979 -22.864  -8.015  -3.271
  704    HG2  PRO1979           HG2      PRO1979 -21.767  -5.660  -3.731
  705    HG3  PRO1979           HG1      PRO1979 -22.316  -6.081  -2.098
  706    HD2  PRO1979           HD2      PRO1979 -19.542  -6.022  -3.208
  707    HD3  PRO1979           HD1      PRO1979 -20.125  -5.521  -1.607
  708    H    THR1980           HN       THR1980 -18.836  -9.121  -3.595
  709    HA   THR1980           HA       THR1980 -19.879 -11.766  -4.285
  710    HB   THR1980           HB       THR1980 -17.597 -10.269  -5.608
  711    HG1  THR1980           HG1      THR1980 -20.401 -10.349  -6.046
  712   HG21  THR1980          HG21      THR1980 -17.980 -11.850  -7.452
  713   HG22  THR1980          HG22      THR1980 -19.258 -12.637  -6.526
  714   HG23  THR1980          HG23      THR1980 -17.586 -12.719  -5.968
  715    H    ASP1981           HN       ASP1981 -17.265 -10.158  -2.638
  716    HA   ASP1981           HA       ASP1981 -15.725 -12.640  -2.394
  717    HB2  ASP1981           HB2      ASP1981 -13.990 -11.215  -1.339
  718    HB3  ASP1981           HB1      ASP1981 -14.389 -10.770  -2.997
  719    H    LEU1982           HN       LEU1982 -18.248 -11.835  -0.855
  720    HA   LEU1982           HA       LEU1982 -17.565 -11.591   1.827
  721    HB2  LEU1982           HB2      LEU1982 -19.827 -12.154   2.333
  722    HB3  LEU1982           HB1      LEU1982 -19.823 -11.178   0.887
  723    HG   LEU1982           HG       LEU1982 -20.069 -14.148   0.885
  724   HD11  LEU1982          HD11      LEU1982 -21.913 -13.205   2.133
  725   HD12  LEU1982          HD12      LEU1982 -22.512 -13.775   0.567
  726   HD13  LEU1982          HD13      LEU1982 -22.228 -12.049   0.840
  727   HD21  LEU1982          HD21      LEU1982 -19.503 -13.450  -1.322
  728   HD22  LEU1982          HD22      LEU1982 -20.651 -12.104  -1.253
  729   HD23  LEU1982          HD23      LEU1982 -21.232 -13.755  -1.318
  730    H    LYS1983           HN       LYS1983 -17.302 -14.228  -0.270
  731    HA   LYS1983           HA       LYS1983 -16.536 -15.973   1.965
  732    HB2  LYS1983           HB2      LYS1983 -17.988 -16.711  -0.573
  733    HB3  LYS1983           HB1      LYS1983 -17.141 -17.898   0.404
  734    HG2  LYS1983           HG2      LYS1983 -18.582 -17.351   2.307
  735    HG3  LYS1983           HG1      LYS1983 -19.443 -16.178   1.304
  736    HD2  LYS1983           HD2      LYS1983 -20.218 -17.900  -0.162
  737    HD3  LYS1983           HD1      LYS1983 -19.189 -19.099   0.620
  738    HE2  LYS1983           HE2      LYS1983 -21.536 -19.313   1.300
  739    HE3  LYS1983           HE1      LYS1983 -20.487 -18.917   2.658
  740    HZ1  LYS1983           HZ1      LYS1983 -22.096 -16.911   1.174
  741    HZ2  LYS1983           HZ2      LYS1983 -21.310 -16.675   2.666
  742    HZ3  LYS1983           HZ3      LYS1983 -22.625 -17.692   2.550
  743    H    MET1984           HN       MET1984 -15.013 -14.024   0.086
  744    HA   MET1984           HA       MET1984 -13.071 -15.952  -0.760
  745    HB2  MET1984           HB2      MET1984 -13.993 -13.539  -2.402
  746    HB3  MET1984           HB1      MET1984 -12.697 -14.637  -2.845
  747    HG2  MET1984           HG2      MET1984 -14.381 -16.478  -2.908
  748    HG3  MET1984           HG1      MET1984 -15.625 -15.250  -2.723
  749    HE1  MET1984           HE1      MET1984 -15.040 -13.132  -6.039
  750    HE2  MET1984           HE2      MET1984 -14.257 -12.861  -4.483
  751    HE3  MET1984           HE3      MET1984 -15.976 -13.249  -4.549
  752    H    LYS1985           HN       LYS1985 -11.464 -13.700  -1.688
  753    HA   LYS1985           HA       LYS1985 -10.719 -12.691   0.981
  754    HB2  LYS1985           HB2      LYS1985  -8.879 -13.450  -1.279
  755    HB3  LYS1985           HB1      LYS1985  -8.380 -12.757   0.255
  756    HG2  LYS1985           HG2      LYS1985  -9.181 -14.727   1.420
  757    HG3  LYS1985           HG1      LYS1985  -9.736 -15.414  -0.110
  758    HD2  LYS1985           HD2      LYS1985  -7.414 -15.327  -0.947
  759    HD3  LYS1985           HD1      LYS1985  -6.896 -14.746   0.638
  760    HE2  LYS1985           HE2      LYS1985  -6.530 -17.150   0.391
  761    HE3  LYS1985           HE1      LYS1985  -7.695 -16.795   1.665
  762    HZ1  LYS1985           HZ1      LYS1985  -9.488 -17.386   0.177
  763    HZ2  LYS1985           HZ2      LYS1985  -8.385 -18.656   0.216
  764    HZ3  LYS1985           HZ3      LYS1985  -8.422 -17.622  -1.100
  765    H    HIS1986           HN       HIS1986 -10.963 -10.621   1.111
  766    HA   HIS1986           HA       HIS1986 -10.378  -9.002  -1.245
  767    HB2  HIS1986           HB2      HIS1986 -11.516  -7.082   0.021
  768    HB3  HIS1986           HB1      HIS1986 -12.551  -8.360  -0.577
  769    HD1  HIS1986           HD1      HIS1986 -14.173  -9.149   0.987
  770    HD2  HIS1986           HD2      HIS1986 -10.999  -7.389   2.967
  771    HE1  HIS1986           HE1      HIS1986 -14.769  -9.246   3.431
  772    HE2  HIS1986           HE2      HIS1986 -12.786  -8.374   4.614
  773    H    LYS1987           HN       LYS1987  -8.401  -8.455  -1.351
  774    HA   LYS1987           HA       LYS1987  -7.296  -6.937   0.771
  775    HB2  LYS1987           HB2      LYS1987  -5.167  -8.233   0.864
  776    HB3  LYS1987           HB1      LYS1987  -6.548  -9.012   1.597
  777    HG2  LYS1987           HG2      LYS1987  -6.738 -10.450  -0.412
  778    HG3  LYS1987           HG1      LYS1987  -5.260  -9.699  -1.038
  779    HD2  LYS1987           HD2      LYS1987  -4.014 -10.423   0.901
  780    HD3  LYS1987           HD1      LYS1987  -5.475 -11.065   1.640
  781    HE2  LYS1987           HE2      LYS1987  -5.647 -12.685  -0.228
  782    HE3  LYS1987           HE1      LYS1987  -4.116 -12.068  -0.855
  783    HZ1  LYS1987           HZ1      LYS1987  -4.497 -13.253   1.833
  784    HZ2  LYS1987           HZ2      LYS1987  -3.018 -12.776   1.177
  785    HZ3  LYS1987           HZ3      LYS1987  -3.830 -14.087   0.532
  786    H    SER1988           HN       SER1988  -5.620  -5.699   0.217
  787    HA   SER1988           HA       SER1988  -5.397  -5.348  -2.662
  788    HB2  SER1988           HB2      SER1988  -4.887  -3.409  -0.414
  789    HB3  SER1988           HB1      SER1988  -4.871  -3.037  -2.153
  790    HG   SER1988           HG       SER1988  -7.094  -4.235  -0.920
  791    H    TYR1989           HN       TYR1989  -3.556  -5.559  -3.597
  792    HA   TYR1989           HA       TYR1989  -1.314  -6.607  -2.054
  793    HB2  TYR1989           HB2      TYR1989  -1.938  -6.685  -5.006
  794    HB3  TYR1989           HB1      TYR1989  -0.584  -7.501  -4.228
  795    HD1  TYR1989           HD1      TYR1989  -4.273  -7.409  -4.531
  796    HD2  TYR1989           HD2      TYR1989  -0.897  -9.651  -3.245
  797    HE1  TYR1989           HE1      TYR1989  -5.705  -9.373  -4.231
  798    HE2  TYR1989           HE2      TYR1989  -2.328 -11.626  -2.938
  799    HH   TYR1989           HH       TYR1989  -5.505 -11.761  -4.159
  800    H    PHE1990           HN       PHE1990   0.219  -5.151  -1.628
  801    HA   PHE1990           HA       PHE1990   0.704  -3.022  -3.559
  802    HB2  PHE1990           HB2      PHE1990   1.299  -3.286  -0.617
  803    HB3  PHE1990           HB1      PHE1990   2.074  -2.074  -1.618
  804    HD1  PHE1990           HD1      PHE1990  -1.315  -3.350  -0.810
  805    HD2  PHE1990           HD2      PHE1990   1.114   0.026  -1.668
  806    HE1  PHE1990           HE1      PHE1990  -3.241  -1.874  -0.426
  807    HE2  PHE1990           HE2      PHE1990  -0.805   1.506  -1.287
  808    HZ   PHE1990           HZ       PHE1990  -2.923   0.631  -0.660
  809    H    SER1991           HN       SER1991   2.197  -3.572  -4.903
  810    HA   SER1991           HA       SER1991   4.401  -5.243  -3.986
  811    HB2  SER1991           HB2      SER1991   3.634  -4.416  -6.791
  812    HB3  SER1991           HB1      SER1991   4.818  -5.649  -6.336
  813    HG   SER1991           HG       SER1991   2.231  -5.814  -5.345
  814    H    PHE1992           HN       PHE1992   6.018  -4.105  -3.209
  815    HA   PHE1992           HA       PHE1992   6.559  -1.451  -4.236
  816    HB2  PHE1992           HB2      PHE1992   7.747  -2.912  -1.863
  817    HB3  PHE1992           HB1      PHE1992   7.994  -1.216  -2.273
  818    HD1  PHE1992           HD2      PHE1992   5.977   0.317  -2.247
  819    HD2  PHE1992           HD1      PHE1992   5.963  -3.566  -0.549
  820    HE1  PHE1992           HE2      PHE1992   4.035   0.930  -0.885
  821    HE2  PHE1992           HE1      PHE1992   4.016  -2.964   0.827
  822    HZ   PHE1992           HZ       PHE1992   3.010  -0.725   0.611
  823    H    VAL1993           HN       VAL1993   7.866  -1.366  -5.795
  824    HA   VAL1993           HA       VAL1993  10.103  -3.249  -5.997
  825    HB   VAL1993           HB       VAL1993   8.471  -4.105  -7.538
  826   HG11  VAL1993          HG11      VAL1993   8.078  -1.297  -8.548
  827   HG12  VAL1993          HG12      VAL1993   6.949  -2.232  -7.564
  828   HG13  VAL1993          HG13      VAL1993   7.319  -2.746  -9.207
  829   HG21  VAL1993          HG21      VAL1993   9.456  -3.746  -9.737
  830   HG22  VAL1993          HG22      VAL1993  10.709  -3.935  -8.497
  831   HG23  VAL1993          HG23      VAL1993  10.293  -2.328  -9.111
  832    H    CYS1994           HN       CYS1994  12.071  -2.217  -6.880
  833    HA   CYS1994           HA       CYS1994  11.915   0.544  -6.306
  834    HB2  CYS1994           HB2      CYS1994  14.397   0.535  -6.668
  835    HB3  CYS1994           HB1      CYS1994  13.748  -0.475  -5.388
  836    H    LYS1995           HN       LYS1995  11.947   2.258  -7.361
  837    HA   LYS1995           HA       LYS1995  12.799   2.389 -10.138
  838    HB2  LYS1995           HB2      LYS1995  10.322   2.154 -10.037
  839    HB3  LYS1995           HB1      LYS1995  10.258   3.540  -8.977
  840    HG2  LYS1995           HG2      LYS1995  11.102   4.942 -10.810
  841    HG3  LYS1995           HG1      LYS1995  11.097   3.521 -11.864
  842    HD2  LYS1995           HD2      LYS1995   8.664   3.238 -11.352
  843    HD3  LYS1995           HD1      LYS1995   8.720   4.776 -10.493
  844    HE2  LYS1995           HE2      LYS1995   9.424   5.884 -12.550
  845    HE3  LYS1995           HE1      LYS1995   9.343   4.343 -13.403
  846    HZ1  LYS1995           HZ1      LYS1995   7.064   5.818 -12.182
  847    HZ2  LYS1995           HZ2      LYS1995   6.931   4.273 -12.825
  848    HZ3  LYS1995           HZ3      LYS1995   7.365   5.547 -13.833
  849    H    SER1996           HN       SER1996  14.366   3.917 -10.075
  850    HA   SER1996           HA       SER1996  14.793   5.554  -7.787
  851    HB2  SER1996           HB2      SER1996  16.071   5.833 -10.507
  852    HB3  SER1996           HB1      SER1996  16.748   6.279  -8.938
  853    HG   SER1996           HG       SER1996  16.943   4.141  -8.407
  854    H    ASP1997           HN       ASP1997  13.324   6.029 -10.923
  855    HA   ASP1997           HA       ASP1997  13.413   8.886 -10.773
  856    HB2  ASP1997           HB2      ASP1997  12.293   8.800 -12.996
  857    HB3  ASP1997           HB1      ASP1997  13.820   7.940 -12.912
  858    H    ALA1998           HN       ALA1998  11.595   7.257  -8.856
  859    HA   ALA1998           HA       ALA1998   8.976   8.198  -9.407
  860    HB1  ALA1998           HB1      ALA1998   8.539   7.653  -7.021
  861    HB2  ALA1998           HB2      ALA1998  10.260   7.436  -6.759
  862    HB3  ALA1998           HB3      ALA1998   9.389   6.341  -7.826
  863    H    GLY1999           HN       GLY1999  11.779   9.388  -7.656
  864    HA2  GLY1999           HA2      GLY1999  12.463  11.549  -7.307
  865    HA3  GLY1999           HA1      GLY1999  10.991  12.107  -8.081
  866    H    ASP2000           HN       ASP2000  11.283  13.693  -6.266
  867    HA   ASP2000           HA       ASP2000  10.365  12.621  -3.745
  868    HB2  ASP2000           HB2      ASP2000  12.158  14.329  -3.637
  869    HB3  ASP2000           HB1      ASP2000  11.068  15.503  -4.370
  870    H    ASP2001           HN       ASP2001   8.585  11.941  -4.812
  871    HA   ASP2001           HA       ASP2001   6.294  13.292  -3.934
  872    HB2  ASP2001           HB2      ASP2001   6.401  14.471  -6.108
  873    HB3  ASP2001           HB1      ASP2001   6.565  12.928  -6.944
  874    H    SER2002           HN       SER2002   5.667  11.604  -2.907
  875    HA   SER2002           HA       SER2002   6.282   9.020  -3.845
  876    HB2  SER2002           HB2      SER2002   4.601   9.897  -1.518
  877    HB3  SER2002           HB1      SER2002   5.311   8.297  -1.770
  878    HG   SER2002           HG       SER2002   7.341   9.802  -2.006
  879    H    GLN2003           HN       GLN2003   5.208   8.327  -5.583
  880    HA   GLN2003           HA       GLN2003   2.332   8.482  -5.405
  881    HB2  GLN2003           HB2      GLN2003   2.221   8.433  -7.890
  882    HB3  GLN2003           HB1      GLN2003   2.967   9.875  -7.226
  883    HG2  GLN2003           HG2      GLN2003   5.167   9.144  -7.909
  884    HG3  GLN2003           HG1      GLN2003   4.580   7.549  -8.302
  885   HE21  GLN2003          HE21      GLN2003   2.756  10.436  -9.129
  886   HE22  GLN2003          HE22      GLN2003   3.003  10.307 -10.824
  887    HA   PRO2004           HA       PRO2004   2.446   4.063  -5.600
  888    HB2  PRO2004           HB2      PRO2004  -0.319   4.054  -4.892
  889    HB3  PRO2004           HB1      PRO2004   1.047   3.799  -3.807
  890    HG2  PRO2004           HG2      PRO2004  -0.681   6.019  -3.713
  891    HG3  PRO2004           HG1      PRO2004   0.928   5.913  -2.984
  892    HD2  PRO2004           HD2      PRO2004   0.087   7.149  -5.557
  893    HD3  PRO2004           HD1      PRO2004   1.294   7.698  -4.372
  894    H    VAL2005           HN       VAL2005   2.332   3.229  -7.660
  895    HA   VAL2005           HA       VAL2005   0.382   4.270  -9.497
  896    HB   VAL2005           HB       VAL2005   2.442   2.073  -9.902
  897   HG11  VAL2005          HG11      VAL2005   0.585   1.871 -11.473
  898   HG12  VAL2005          HG12      VAL2005   2.050   2.402 -12.301
  899   HG13  VAL2005          HG13      VAL2005   0.775   3.563 -11.933
  900   HG21  VAL2005          HG21      VAL2005   3.481   4.230  -9.441
  901   HG22  VAL2005          HG22      VAL2005   2.505   4.983 -10.701
  902   HG23  VAL2005          HG23      VAL2005   3.717   3.773 -11.127
  903    H    PHE2006           HN       PHE2006  -1.556   3.494  -9.688
  904    HA   PHE2006           HA       PHE2006  -2.180   0.932  -8.525
  905    HB2  PHE2006           HB2      PHE2006  -4.539   1.524  -8.880
  906    HB3  PHE2006           HB1      PHE2006  -3.708   2.822  -8.050
  907    HD1  PHE2006           HD2      PHE2006  -3.090   4.886  -9.347
  908    HD2  PHE2006           HD1      PHE2006  -5.647   1.874 -10.932
  909    HE1  PHE2006           HE2      PHE2006  -3.915   6.480 -11.026
  910    HE2  PHE2006           HE1      PHE2006  -6.471   3.465 -12.619
  911    HZ   PHE2006           HZ       PHE2006  -5.663   5.743 -12.660
  912    H    LEU2007           HN       LEU2007  -2.610  -0.849  -9.627
  913    HA   LEU2007           HA       LEU2007  -2.164  -0.757 -12.497
  914    HB2  LEU2007           HB2      LEU2007  -2.306  -3.002 -10.497
  915    HB3  LEU2007           HB1      LEU2007  -2.383  -3.313 -12.212
  916    HG   LEU2007           HG       LEU2007  -0.115  -2.406 -12.484
  917   HD11  LEU2007          HD11      LEU2007   1.264  -1.892 -10.545
  918   HD12  LEU2007          HD12      LEU2007  -0.132  -2.103  -9.492
  919   HD13  LEU2007          HD13      LEU2007  -0.106  -0.786 -10.666
  920   HD21  LEU2007          HD21      LEU2007   1.067  -4.198 -11.331
  921   HD22  LEU2007          HD22      LEU2007  -0.422  -4.770 -12.079
  922   HD23  LEU2007          HD23      LEU2007  -0.358  -4.496 -10.338
  923    H    SER2008           HN       SER2008  -4.421  -2.357 -10.285
  924    HA   SER2008           HA       SER2008  -6.680  -1.508 -11.730
  925    HB2  SER2008           HB2      SER2008  -7.319  -3.936 -12.322
  926    HB3  SER2008           HB1      SER2008  -6.144  -3.123 -13.355
  927    HG   SER2008           HG       SER2008  -5.837  -5.179 -11.511
  928    H    PHE2009           HN       PHE2009  -8.519  -1.893 -10.627
  929    HA   PHE2009           HA       PHE2009  -8.312  -3.250  -8.030
  930    HB2  PHE2009           HB2      PHE2009  -8.698  -0.932  -7.611
  931    HB3  PHE2009           HB1      PHE2009  -9.882  -0.817  -8.903
  932    HD1  PHE2009           HD1      PHE2009  -9.425  -2.861  -5.790
  933    HD2  PHE2009           HD2      PHE2009 -12.042  -0.531  -8.202
  934    HE1  PHE2009           HE1      PHE2009 -11.231  -3.210  -4.160
  935    HE2  PHE2009           HE2      PHE2009 -13.853  -0.874  -6.576
  936    HZ   PHE2009           HZ       PHE2009 -13.449  -2.218  -4.551
  937    H    ASP2010           HN       ASP2010  -9.363  -5.124  -8.034
  938    HA   ASP2010           HA       ASP2010 -11.639  -5.458  -9.866
  939    HB2  ASP2010           HB2      ASP2010 -10.249  -7.559  -8.170
  940    HB3  ASP2010           HB1      ASP2010 -11.588  -7.858  -9.258
  941    H    GLU2011           HN       GLU2011 -13.407  -4.681  -8.941
  942    HA   GLU2011           HA       GLU2011 -13.833  -4.743  -6.105
  943    HB2  GLU2011           HB2      GLU2011 -16.060  -3.829  -6.647
  944    HB3  GLU2011           HB1      GLU2011 -14.773  -2.932  -7.439
  945    HG2  GLU2011           HG2      GLU2011 -15.231  -4.161  -9.513
  946    HG3  GLU2011           HG1      GLU2011 -16.556  -4.994  -8.702
  947    H    GLN2012           HN       GLN2012 -14.255  -6.838  -8.671
  948    HA   GLN2012           HA       GLN2012 -16.327  -8.542  -8.061
  949    HB2  GLN2012           HB2      GLN2012 -14.998  -8.672 -10.080
  950    HB3  GLN2012           HB1      GLN2012 -13.580  -9.122  -9.159
  951    HG2  GLN2012           HG2      GLN2012 -14.565 -11.254  -8.615
  952    HG3  GLN2012           HG1      GLN2012 -16.070 -10.792  -9.419
  953   HE21  GLN2012          HE21      GLN2012 -14.197 -12.984  -9.970
  954   HE22  GLN2012          HE22      GLN2012 -13.731 -12.787 -11.624
  955    H    THR2013           HN       THR2013 -13.208  -8.267  -6.497
  956    HA   THR2013           HA       THR2013 -14.223  -9.883  -4.345
  957    HB   THR2013           HB       THR2013 -13.132 -11.582  -5.670
  958    HG1  THR2013           HG1      THR2013 -11.700 -10.819  -3.363
  959   HG21  THR2013          HG21      THR2013 -10.748 -11.497  -6.268
  960   HG22  THR2013          HG22      THR2013 -10.661  -9.853  -5.633
  961   HG23  THR2013          HG23      THR2013 -11.672 -10.204  -7.034
  962    H    CYS2014           HN       CYS2014 -13.535  -7.112  -4.992
  963    HA   CYS2014           HA       CYS2014 -12.356  -5.329  -4.371
  964    HB2  CYS2014           HB2      CYS2014 -13.136  -6.641  -1.780
  965    HB3  CYS2014           HB1      CYS2014 -12.335  -5.067  -1.790
  966    H    THR2015           HN       THR2015 -10.580  -7.178  -5.277
  967    HA   THR2015           HA       THR2015  -8.259  -6.885  -3.545
  968    HB   THR2015           HB       THR2015  -7.132  -8.278  -5.331
  969    HG1  THR2015           HG1      THR2015  -8.803  -7.759  -6.893
  970   HG21  THR2015          HG21      THR2015  -7.909  -9.268  -3.242
  971   HG22  THR2015          HG22      THR2015  -8.139 -10.392  -4.582
  972   HG23  THR2015          HG23      THR2015  -9.518  -9.500  -3.930
  973    H    SER2016           HN       SER2016  -7.136  -5.149  -3.816
  974    HA   SER2016           HA       SER2016  -7.203  -3.740  -6.375
  975    HB2  SER2016           HB2      SER2016  -6.056  -2.811  -3.757
  976    HB3  SER2016           HB1      SER2016  -6.567  -1.834  -5.131
  977    HG   SER2016           HG       SER2016  -7.967  -2.732  -3.030
  978    H    TYR2017           HN       TYR2017  -5.339  -3.698  -7.587
  979    HA   TYR2017           HA       TYR2017  -2.925  -4.789  -6.339
  980    HB2  TYR2017           HB2      TYR2017  -3.807  -4.787  -9.230
  981    HB3  TYR2017           HB1      TYR2017  -2.180  -5.225  -8.718
  982    HD1  TYR2017           HD1      TYR2017  -5.746  -6.182  -8.479
  983    HD2  TYR2017           HD2      TYR2017  -1.720  -7.382  -7.852
  984    HE1  TYR2017           HE1      TYR2017  -6.503  -8.486  -8.105
  985    HE2  TYR2017           HE2      TYR2017  -2.465  -9.698  -7.478
  986    HH   TYR2017           HH       TYR2017  -5.523 -10.754  -8.307
  987    H    PHE2018           HN       PHE2018  -1.445  -3.373  -5.850
  988    HA   PHE2018           HA       PHE2018  -1.191  -0.963  -7.508
  989    HB2  PHE2018           HB2      PHE2018  -0.806  -1.114  -4.510
  990    HB3  PHE2018           HB1      PHE2018  -0.631   0.311  -5.522
  991    HD1  PHE2018           HD2      PHE2018  -2.815   0.794  -6.979
  992    HD2  PHE2018           HD1      PHE2018  -2.711  -1.291  -3.290
  993    HE1  PHE2018           HE2      PHE2018  -5.173   1.336  -6.611
  994    HE2  PHE2018           HE1      PHE2018  -5.070  -0.750  -2.908
  995    HZ   PHE2018           HZ       PHE2018  -6.294   0.583  -4.530
  996    H    SER2019           HN       SER2019   0.903  -0.199  -7.710
  997    HA   SER2019           HA       SER2019   2.996  -1.723  -6.446
  998    HB2  SER2019           HB2      SER2019   2.849  -1.171  -9.417
  999    HB3  SER2019           HB1      SER2019   4.274  -1.790  -8.578
 1000    HG   SER2019           HG       SER2019   2.066  -3.214  -7.956
 1001    H    TRP2020           HN       TRP2020   4.097  -0.359  -5.375
 1002    HA   TRP2020           HA       TRP2020   4.278   2.400  -6.305
 1003    HB2  TRP2020           HB2      TRP2020   3.511   1.707  -3.898
 1004    HB3  TRP2020           HB1      TRP2020   5.188   1.273  -3.643
 1005    HD1  TRP2020           HD1      TRP2020   3.388   3.557  -2.105
 1006    HE1  TRP2020           HE1      TRP2020   4.409   5.946  -1.893
 1007    HE3  TRP2020           HE3      TRP2020   6.781   3.514  -5.905
 1008    HZ2  TRP2020           HZ2      TRP2020   6.263   7.492  -3.056
 1009    HZ3  TRP2020           HZ3      TRP2020   8.118   5.520  -6.273
 1010    HH2  TRP2020           HH2      TRP2020   7.864   7.472  -4.877
 1011    H    HIS2021           HN       HIS2021   5.945   2.551  -7.616
 1012    HA   HIS2021           HA       HIS2021   8.144   0.705  -7.386
 1013    HB2  HIS2021           HB2      HIS2021   7.568   2.889  -9.412
 1014    HB3  HIS2021           HB1      HIS2021   8.912   1.773  -9.491
 1015    HD1  HIS2021           HD1      HIS2021   8.530  -0.255 -10.930
 1016    HD2  HIS2021           HD2      HIS2021   4.957   1.492  -9.670
 1017    HE1  HIS2021           HE1      HIS2021   6.719  -1.455 -12.154
 1018    HE2  HIS2021           HE2      HIS2021   4.638  -0.161 -11.634
 1019    H    THR2022           HN       THR2022   9.196   1.343  -5.581
 1020    HA   THR2022           HA       THR2022  10.109   4.122  -5.390
 1021    HB   THR2022           HB       THR2022   8.381   3.872  -3.722
 1022    HG1  THR2022           HG1      THR2022   9.680   4.967  -2.549
 1023   HG21  THR2022          HG21      THR2022   8.437   2.150  -1.971
 1024   HG22  THR2022          HG22      THR2022   9.863   1.425  -2.713
 1025   HG23  THR2022          HG23      THR2022   8.319   1.415  -3.569
 1026    H    SER2023           HN       SER2023  12.159   4.469  -4.481
 1027    HA   SER2023           HA       SER2023  14.070   2.561  -5.148
 1028    HB2  SER2023           HB2      SER2023  15.490   4.414  -4.014
 1029    HB3  SER2023           HB1      SER2023  14.602   4.731  -5.519
 1030    HG   SER2023           HG       SER2023  14.401   6.108  -3.352
 1031    H    LEU2024           HN       LEU2024  12.353   3.190  -2.220
 1032    HA   LEU2024           HA       LEU2024  14.316   2.154  -0.397
 1033    HB2  LEU2024           HB2      LEU2024  11.342   2.614  -0.062
 1034    HB3  LEU2024           HB1      LEU2024  12.366   2.019   1.219
 1035    HG   LEU2024           HG       LEU2024  11.958   4.308   1.624
 1036   HD11  LEU2024          HD11      LEU2024  14.168   3.619   2.162
 1037   HD12  LEU2024          HD12      LEU2024  14.179   5.296   1.613
 1038   HD13  LEU2024          HD13      LEU2024  14.729   4.011   0.538
 1039   HD21  LEU2024          HD21      LEU2024  11.277   5.053  -0.594
 1040   HD22  LEU2024          HD22      LEU2024  12.942   4.921  -1.162
 1041   HD23  LEU2024          HD23      LEU2024  12.522   6.119   0.062
 1042    H    ALA2025           HN       ALA2025  12.204   0.768  -2.580
 1043    HA   ALA2025           HA       ALA2025  11.439  -1.591  -1.205
 1044    HB1  ALA2025           HB1      ALA2025  11.436  -0.972  -4.126
 1045    HB2  ALA2025           HB2      ALA2025  10.144  -0.609  -2.988
 1046    HB3  ALA2025           HB3      ALA2025  10.562  -2.291  -3.346
 1047    H    CYS2026           HN       CYS2026  14.336  -0.766  -2.940
 1048    HA   CYS2026           HA       CYS2026  15.283  -3.417  -2.398
 1049    HB2  CYS2026           HB2      CYS2026  15.934  -4.059  -4.570
 1050    HB3  CYS2026           HB1      CYS2026  14.357  -3.339  -4.853
 1051    H    GLU2027           HN       GLU2027  17.787  -3.256  -3.453
 1052    HA   GLU2027           HA       GLU2027  18.881  -0.975  -2.030
 1053    HB2  GLU2027           HB2      GLU2027  19.793  -3.232  -1.620
 1054    HB3  GLU2027           HB1      GLU2027  20.182  -3.434  -3.293
 1055    HG2  GLU2027           HG2      GLU2027  22.176  -2.911  -2.033
 1056    HG3  GLU2027           HG1      GLU2027  21.809  -1.592  -3.144
 1057    H    GLU2028           HN       GLU2028  19.827  -2.583  -5.043
 1058    HA   GLU2028           HA       GLU2028  18.908  -0.515  -6.724
 1059    HB2  GLU2028           HB2      GLU2028  21.233   0.286  -5.868
 1060    HB3  GLU2028           HB1      GLU2028  21.891  -1.082  -6.764
 1061    HG2  GLU2028           HG2      GLU2028  20.837  -0.235  -8.800
 1062    HG3  GLU2028           HG1      GLU2028  20.259   1.161  -7.894
 1063    H    GLU2029           HN       GLU2029  18.164  -2.937  -6.300
 1064    HA   GLU2029           HA       GLU2029  19.619  -4.837  -7.945
 1065    HB2  GLU2029           HB2      GLU2029  18.913  -5.288  -5.544
 1066    HB3  GLU2029           HB1      GLU2029  17.255  -5.203  -6.093
 1067    HG2  GLU2029           HG2      GLU2029  17.440  -7.198  -7.292
 1068    HG3  GLU2029           HG1      GLU2029  19.207  -7.174  -7.214
 1069    H    VAL2030           HN       VAL2030  19.077  -4.528  -9.948
 1070    HA   VAL2030           HA       VAL2030  16.843  -3.020 -10.744
 1071    HB   VAL2030           HB       VAL2030  18.949  -2.927 -11.971
 1072   HG11  VAL2030          HG11      VAL2030  19.679  -5.211 -11.876
 1073   HG12  VAL2030          HG12      VAL2030  19.621  -4.665 -13.551
 1074   HG13  VAL2030          HG13      VAL2030  18.347  -5.711 -12.920
 1075   HG21  VAL2030          HG21      VAL2030  16.907  -2.229 -13.109
 1076   HG22  VAL2030          HG22      VAL2030  16.696  -3.873 -13.730
 1077   HG23  VAL2030          HG23      VAL2030  18.077  -2.912 -14.237
 1078    HA   PRO2031           HA       PRO2031  13.896  -6.311 -11.334
 1079    HB2  PRO2031           HB2      PRO2031  11.745  -4.823 -10.948
 1080    HB3  PRO2031           HB1      PRO2031  12.825  -5.169  -9.592
 1081    HG2  PRO2031           HG2      PRO2031  12.569  -2.666 -11.212
 1082    HG3  PRO2031           HG1      PRO2031  12.842  -2.853  -9.471
 1083    HD2  PRO2031           HD2      PRO2031  14.827  -2.361 -11.399
 1084    HD3  PRO2031           HD1      PRO2031  15.092  -2.934  -9.745
 1085    H    ARG2032           HN       ARG2032  14.941  -3.963 -13.260
 1086    HA   ARG2032           HA       ARG2032  12.854  -4.210 -15.320
 1087    HB2  ARG2032           HB2      ARG2032  15.173  -2.272 -15.082
 1088    HB3  ARG2032           HB1      ARG2032  14.051  -2.328 -16.425
 1089    HG2  ARG2032           HG2      ARG2032  12.241  -1.637 -14.967
 1090    HG3  ARG2032           HG1      ARG2032  13.336  -1.667 -13.578
 1091    HD2  ARG2032           HD2      ARG2032  14.710   0.053 -14.571
 1092    HD3  ARG2032           HD1      ARG2032  13.723   0.038 -16.029
 1093    HE   ARG2032           HE       ARG2032  11.898   0.664 -14.240
 1094   HH11  ARG2032          HH11      ARG2032  15.198   1.947 -14.520
 1095   HH12  ARG2032          HH12      ARG2032  14.772   3.501 -13.954
 1096   HH21  ARG2032          HH21      ARG2032  11.340   2.712 -13.559
 1097   HH22  ARG2032          HH22      ARG2032  12.484   3.991 -13.391
  Start of MODEL    3
    1    H1   MET1885           HT1      MET1885  15.968  10.636   4.299
    2    H2   MET1885           HT2      MET1885  15.816  11.920   3.233
    3    H3   MET1885           HT3      MET1885  14.649  10.682   3.238
    4    HA   MET1885           HA       MET1885  15.349  12.474   5.439
    5    HB2  MET1885           HB2      MET1885  13.024  13.511   5.063
    6    HB3  MET1885           HB1      MET1885  14.318  13.958   3.983
    7    HG2  MET1885           HG2      MET1885  12.315  13.723   2.716
    8    HG3  MET1885           HG1      MET1885  13.384  12.395   2.298
    9    HE1  MET1885           HE1      MET1885  10.263  12.589   1.569
   10    HE2  MET1885           HE2      MET1885   9.760  10.925   1.876
   11    HE3  MET1885           HE3      MET1885  11.304  11.251   1.082
   12    H    LYS1886           HN       LYS1886  13.047  10.001   4.402
   13    HA   LYS1886           HA       LYS1886  11.773   8.598   5.481
   14    HB2  LYS1886           HB2      LYS1886  13.889   8.759   7.635
   15    HB3  LYS1886           HB1      LYS1886  12.674   7.487   7.496
   16    HG2  LYS1886           HG2      LYS1886  13.586   7.038   5.180
   17    HG3  LYS1886           HG1      LYS1886  14.922   8.101   5.598
   18    HD2  LYS1886           HD2      LYS1886  15.517   6.648   7.455
   19    HD3  LYS1886           HD1      LYS1886  14.136   5.606   7.089
   20    HE2  LYS1886           HE2      LYS1886  15.132   5.281   4.798
   21    HE3  LYS1886           HE1      LYS1886  16.573   6.106   5.388
   22    HZ1  LYS1886           HZ1      LYS1886  16.981   3.803   5.669
   23    HZ2  LYS1886           HZ2      LYS1886  15.439   3.531   6.265
   24    HZ3  LYS1886           HZ3      LYS1886  16.556   4.350   7.213
   25    H    SER1887           HN       SER1887   9.937   9.523   5.711
   26    HA   SER1887           HA       SER1887   9.383  11.646   7.439
   27    HB2  SER1887           HB2      SER1887   7.380   9.841   6.089
   28    HB3  SER1887           HB1      SER1887   7.132  11.504   6.617
   29    HG   SER1887           HG       SER1887   7.875  10.748   4.284
   30    H    ASN1888           HN       ASN1888   7.647   8.540   7.502
   31    HA   ASN1888           HA       ASN1888   6.947   9.011  10.299
   32    HB2  ASN1888           HB2      ASN1888   5.111   8.722   8.893
   33    HB3  ASN1888           HB1      ASN1888   5.819   7.324   8.093
   34   HD21  ASN1888          HD21      ASN1888   3.998   8.507  10.752
   35   HD22  ASN1888          HD22      ASN1888   3.598   6.978  11.403
   36    H    VAL1889           HN       VAL1889   7.917   7.915  11.822
   37    HA   VAL1889           HA       VAL1889   9.451   5.622  10.960
   38    HB   VAL1889           HB       VAL1889  10.793   7.352  12.006
   39   HG11  VAL1889          HG11      VAL1889   9.241   8.305  13.558
   40   HG12  VAL1889          HG12      VAL1889  10.710   7.810  14.402
   41   HG13  VAL1889          HG13      VAL1889   9.250   6.829  14.522
   42   HG21  VAL1889          HG21      VAL1889  10.709   4.808  13.619
   43   HG22  VAL1889          HG22      VAL1889  12.052   5.949  13.590
   44   HG23  VAL1889          HG23      VAL1889  11.605   5.077  12.125
   45    H    GLN1890           HN       GLN1890   7.492   4.571  10.833
   46    HA   GLN1890           HA       GLN1890   6.951   2.998  13.279
   47    HB2  GLN1890           HB2      GLN1890   5.791   2.653  10.477
   48    HB3  GLN1890           HB1      GLN1890   5.391   1.637  11.845
   49    HG2  GLN1890           HG2      GLN1890   4.781   4.576  11.633
   50    HG3  GLN1890           HG1      GLN1890   3.655   3.281  11.258
   51   HE21  GLN1890          HE21      GLN1890   3.312   5.324  13.140
   52   HE22  GLN1890          HE22      GLN1890   3.167   4.638  14.694
   53    H    ASN1891           HN       ASN1891   8.550   1.600  13.648
   54    HA   ASN1891           HA       ASN1891  10.212   0.760  11.392
   55    HB2  ASN1891           HB2      ASN1891  11.908   0.166  12.972
   56    HB3  ASN1891           HB1      ASN1891  11.236   1.687  13.536
   57   HD21  ASN1891          HD21      ASN1891  11.850  -1.591  14.273
   58   HD22  ASN1891          HD22      ASN1891  11.073  -1.631  15.817
   59    H    ASP1892           HN       ASP1892   7.535  -0.293  12.710
   60    HA   ASP1892           HA       ASP1892   7.943  -3.070  13.050
   61    HB2  ASP1892           HB2      ASP1892   5.449  -1.568  12.201
   62    HB3  ASP1892           HB1      ASP1892   5.475  -3.283  12.579
   63    H    CYS1893           HN       CYS1893   6.686  -1.279  10.227
   64    HA   CYS1893           HA       CYS1893   7.199  -3.409   8.400
   65    HB2  CYS1893           HB2      CYS1893   7.169  -0.482   7.703
   66    HB3  CYS1893           HB1      CYS1893   6.686  -1.853   6.707
   67    H    ARG1894           HN       ARG1894   9.403  -4.040   8.878
   68    HA   ARG1894           HA       ARG1894  11.384  -2.536   7.455
   69    HB2  ARG1894           HB2      ARG1894  11.245  -1.388   9.677
   70    HB3  ARG1894           HB1      ARG1894  11.682  -2.900  10.444
   71    HG2  ARG1894           HG2      ARG1894  13.880  -2.799   9.582
   72    HG3  ARG1894           HG1      ARG1894  13.456  -1.487   8.470
   73    HD2  ARG1894           HD2      ARG1894  12.990  -0.014  10.353
   74    HD3  ARG1894           HD1      ARG1894  13.360  -1.313  11.478
   75    HE   ARG1894           HE       ARG1894  15.659  -1.210  10.664
   76   HH11  ARG1894          HH11      ARG1894  13.651   1.597   9.905
   77   HH12  ARG1894          HH12      ARG1894  14.931   2.715  10.032
   78   HH21  ARG1894          HH21      ARG1894  17.413   0.343  10.835
   79   HH22  ARG1894          HH22      ARG1894  17.134   1.983  10.534
   80    H    VAL1895           HN       VAL1895  12.179  -4.127   6.317
   81    HA   VAL1895           HA       VAL1895  12.960  -6.660   7.582
   82    HB   VAL1895           HB       VAL1895  10.619  -6.856   6.676
   83   HG11  VAL1895          HG11      VAL1895  10.226  -6.933   4.268
   84   HG12  VAL1895          HG12      VAL1895  11.876  -6.366   4.001
   85   HG13  VAL1895          HG13      VAL1895  10.712  -5.337   4.840
   86   HG21  VAL1895          HG21      VAL1895  12.650  -8.565   5.244
   87   HG22  VAL1895          HG22      VAL1895  10.934  -8.940   5.400
   88   HG23  VAL1895          HG23      VAL1895  11.957  -8.873   6.835
   89    H    THR1896           HN       THR1896  14.499  -7.888   6.082
   90    HA   THR1896           HA       THR1896  15.645  -6.155   4.003
   91    HB   THR1896           HB       THR1896  17.254  -7.855   5.943
   92    HG1  THR1896           HG1      THR1896  16.110  -5.631   6.397
   93   HG21  THR1896          HG21      THR1896  19.191  -6.673   4.984
   94   HG22  THR1896          HG22      THR1896  18.122  -5.815   3.873
   95   HG23  THR1896          HG23      THR1896  18.315  -7.563   3.736
   96    H    ASN1897           HN       ASN1897  16.105  -7.200   2.104
   97    HA   ASN1897           HA       ASN1897  15.515 -10.073   2.000
   98    HB2  ASN1897           HB2      ASN1897  15.066  -9.769  -0.369
   99    HB3  ASN1897           HB1      ASN1897  14.105  -8.641   0.561
  100   HD21  ASN1897          HD21      ASN1897  14.793  -8.466  -2.245
  101   HD22  ASN1897          HD22      ASN1897  15.681  -7.005  -2.446
  102    HA   PRO1898           HA       PRO1898  19.791 -10.786   1.080
  103    HB2  PRO1898           HB2      PRO1898  19.566 -13.215  -0.172
  104    HB3  PRO1898           HB1      PRO1898  19.517 -12.999   1.579
  105    HG2  PRO1898           HG2      PRO1898  17.278 -13.400  -0.345
  106    HG3  PRO1898           HG1      PRO1898  17.467 -14.009   1.309
  107    HD2  PRO1898           HD2      PRO1898  15.882 -11.887   0.648
  108    HD3  PRO1898           HD1      PRO1898  16.640 -12.087   2.240
  109    H    ALA1899           HN       ALA1899  17.353 -10.672  -1.390
  110    HA   ALA1899           HA       ALA1899  19.039 -10.920  -3.664
  111    HB1  ALA1899           HB1      ALA1899  17.184  -9.999  -4.939
  112    HB2  ALA1899           HB2      ALA1899  16.388  -9.499  -3.443
  113    HB3  ALA1899           HB3      ALA1899  16.607 -11.210  -3.794
  114    H    THR1900           HN       THR1900  17.431  -8.000  -2.416
  115    HA   THR1900           HA       THR1900  19.191  -6.315  -3.903
  116    HB   THR1900           HB       THR1900  17.325  -5.453  -1.692
  117    HG1  THR1900           HG1      THR1900  16.001  -5.184  -3.891
  118   HG21  THR1900          HG21      THR1900  18.228  -4.172  -4.260
  119   HG22  THR1900          HG22      THR1900  18.802  -3.768  -2.633
  120   HG23  THR1900          HG23      THR1900  17.114  -3.472  -3.082
  121    H    GLY1901           HN       GLY1901  18.845  -7.386  -0.532
  122    HA2  GLY1901           HA2      GLY1901  20.340  -7.241   1.196
  123    HA3  GLY1901           HA1      GLY1901  21.480  -6.439   0.109
  124    H    HIS1902           HN       HIS1902  18.208  -5.385   0.428
  125    HA   HIS1902           HA       HIS1902  19.241  -2.939   1.651
  126    HB2  HIS1902           HB2      HIS1902  18.455  -2.545  -0.652
  127    HB3  HIS1902           HB1      HIS1902  16.878  -3.188  -0.228
  128    HD1  HIS1902           HD1      HIS1902  19.129  -0.221   0.645
  129    HD2  HIS1902           HD2      HIS1902  15.116  -1.305   0.778
  130    HE1  HIS1902           HE1      HIS1902  17.888   1.849   1.234
  131    HE2  HIS1902           HE2      HIS1902  15.660   0.990   1.838
  132    H    LEU1903           HN       LEU1903  18.505  -2.360   3.403
  133    HA   LEU1903           HA       LEU1903  16.500  -3.765   4.878
  134    HB2  LEU1903           HB2      LEU1903  18.351  -2.671   6.004
  135    HB3  LEU1903           HB1      LEU1903  17.905  -1.129   5.311
  136    HG   LEU1903           HG       LEU1903  15.803  -1.194   6.637
  137   HD11  LEU1903          HD11      LEU1903  15.610  -3.595   6.951
  138   HD12  LEU1903          HD12      LEU1903  15.624  -2.754   8.502
  139   HD13  LEU1903          HD13      LEU1903  17.070  -3.594   7.944
  140   HD21  LEU1903          HD21      LEU1903  16.879  -0.651   8.757
  141   HD22  LEU1903          HD22      LEU1903  17.741   0.050   7.387
  142   HD23  LEU1903          HD23      LEU1903  18.374  -1.392   8.182
  143    H    PHE1904           HN       PHE1904  14.422  -3.540   4.360
  144    HA   PHE1904           HA       PHE1904  13.571  -1.125   2.995
  145    HB2  PHE1904           HB2      PHE1904  12.079  -3.680   3.555
  146    HB3  PHE1904           HB1      PHE1904  11.468  -2.316   2.641
  147    HD1  PHE1904           HD2      PHE1904  13.236  -1.620   0.683
  148    HD2  PHE1904           HD1      PHE1904  12.680  -5.468   2.365
  149    HE1  PHE1904           HE2      PHE1904  14.076  -2.640  -1.379
  150    HE2  PHE1904           HE1      PHE1904  13.495  -6.490   0.307
  151    HZ   PHE1904           HZ       PHE1904  14.204  -5.078  -1.577
  152    H    ASP1905           HN       ASP1905  13.328   0.363   4.484
  153    HA   ASP1905           HA       ASP1905  11.257  -0.181   6.434
  154    HB2  ASP1905           HB2      ASP1905  12.238   1.493   7.920
  155    HB3  ASP1905           HB1      ASP1905  13.473   0.312   7.524
  156    H    LEU1906           HN       LEU1906   9.515   0.616   5.650
  157    HA   LEU1906           HA       LEU1906   9.746   2.729   3.687
  158    HB2  LEU1906           HB2      LEU1906   7.312   1.135   4.486
  159    HB3  LEU1906           HB1      LEU1906   7.371   2.307   3.180
  160    HG   LEU1906           HG       LEU1906   8.924  -0.282   3.300
  161   HD11  LEU1906          HD11      LEU1906   6.580  -0.647   2.905
  162   HD12  LEU1906          HD12      LEU1906   7.512  -0.953   1.438
  163   HD13  LEU1906          HD13      LEU1906   6.591   0.540   1.603
  164   HD21  LEU1906          HD21      LEU1906   8.774   1.791   1.112
  165   HD22  LEU1906          HD22      LEU1906   9.574   0.226   0.993
  166   HD23  LEU1906          HD23      LEU1906  10.184   1.447   2.117
  167    H    THR1907           HN       THR1907  10.506   4.015   5.463
  168    HA   THR1907           HA       THR1907   8.633   4.972   7.367
  169    HB   THR1907           HB       THR1907  10.712   6.522   7.743
  170    HG1  THR1907           HG1      THR1907  12.378   4.629   6.723
  171   HG21  THR1907          HG21      THR1907  11.797   4.721   9.038
  172   HG22  THR1907          HG22      THR1907  10.875   3.514   8.150
  173   HG23  THR1907          HG23      THR1907  10.045   4.635   9.231
  174    H    SER1908           HN       SER1908  10.426   6.392   4.637
  175    HA   SER1908           HA       SER1908   9.508   8.941   4.609
  176    HB2  SER1908           HB2      SER1908  10.094   7.289   2.188
  177    HB3  SER1908           HB1      SER1908  10.434   9.003   2.472
  178    HG   SER1908           HG       SER1908  12.301   8.253   3.088
  179    H    LEU1909           HN       LEU1909   7.884   6.053   3.156
  180    HA   LEU1909           HA       LEU1909   6.193   7.416   1.481
  181    HB2  LEU1909           HB2      LEU1909   6.243   4.740   2.735
  182    HB3  LEU1909           HB1      LEU1909   5.136   5.235   1.493
  183    HG   LEU1909           HG       LEU1909   8.131   4.905   1.301
  184   HD11  LEU1909          HD11      LEU1909   7.602   3.237  -0.382
  185   HD12  LEU1909          HD12      LEU1909   5.879   3.524  -0.127
  186   HD13  LEU1909          HD13      LEU1909   6.861   2.848   1.171
  187   HD21  LEU1909          HD21      LEU1909   7.955   5.581  -1.048
  188   HD22  LEU1909          HD22      LEU1909   7.485   6.893   0.039
  189   HD23  LEU1909          HD23      LEU1909   6.251   5.966  -0.806
  190    H    LYS1910           HN       LYS1910   5.679   5.812   4.592
  191    HA   LYS1910           HA       LYS1910   2.961   6.701   4.650
  192    HB2  LYS1910           HB2      LYS1910   3.074   5.798   7.083
  193    HB3  LYS1910           HB1      LYS1910   2.940   4.664   5.774
  194    HG2  LYS1910           HG2      LYS1910   5.410   4.375   5.897
  195    HG3  LYS1910           HG1      LYS1910   5.416   5.464   7.287
  196    HD2  LYS1910           HD2      LYS1910   4.021   3.970   8.532
  197    HD3  LYS1910           HD1      LYS1910   3.821   2.909   7.133
  198    HE2  LYS1910           HE2      LYS1910   5.463   2.090   8.797
  199    HE3  LYS1910           HE1      LYS1910   6.140   2.327   7.184
  200    HZ1  LYS1910           HZ1      LYS1910   7.505   3.168   9.078
  201    HZ2  LYS1910           HZ2      LYS1910   6.312   4.406   9.269
  202    HZ3  LYS1910           HZ3      LYS1910   7.178   4.269   7.841
  203    H    ARG1911           HN       ARG1911   2.032   7.624   6.601
  204    HA   ARG1911           HA       ARG1911   3.281   9.450   8.203
  205    HB2  ARG1911           HB2      ARG1911   2.460  11.536   6.988
  206    HB3  ARG1911           HB1      ARG1911   3.841  10.749   6.250
  207    HG2  ARG1911           HG2      ARG1911   2.027   9.582   4.771
  208    HG3  ARG1911           HG1      ARG1911   1.029  10.955   5.279
  209    HD2  ARG1911           HD2      ARG1911   2.792  12.489   4.503
  210    HD3  ARG1911           HD1      ARG1911   3.739  11.095   3.989
  211    HE   ARG1911           HE       ARG1911   1.137  11.777   2.820
  212   HH11  ARG1911          HH11      ARG1911   4.411  10.436   2.451
  213   HH12  ARG1911          HH12      ARG1911   4.458  10.647   0.758
  214   HH21  ARG1911          HH21      ARG1911   1.241  12.035   0.412
  215   HH22  ARG1911          HH22      ARG1911   2.668  11.543  -0.380
  216    H    GLU1912           HN       GLU1912   1.092  11.240   8.461
  217    HA   GLU1912           HA       GLU1912  -0.732   9.436   9.726
  218    HB2  GLU1912           HB2      GLU1912  -0.857  12.421   9.328
  219    HB3  GLU1912           HB1      GLU1912  -1.985  11.492  10.301
  220    HG2  GLU1912           HG2      GLU1912  -0.206  10.848  11.797
  221    HG3  GLU1912           HG1      GLU1912   0.968  11.704  10.793
  222    H    SER1913           HN       SER1913  -0.693  11.270   6.784
  223    HA   SER1913           HA       SER1913  -3.475  10.872   6.333
  224    HB2  SER1913           HB2      SER1913  -2.784  11.984   4.122
  225    HB3  SER1913           HB1      SER1913  -2.605  12.926   5.606
  226    HG   SER1913           HG       SER1913  -0.620  13.154   4.818
  227    H    GLY1914           HN       GLY1914  -0.689  10.181   4.303
  228    HA2  GLY1914           HA2      GLY1914  -0.259   7.788   3.687
  229    HA3  GLY1914           HA1      GLY1914  -2.003   7.720   3.360
  230    H    TYR1915           HN       TYR1915  -1.579   7.255   1.107
  231    HA   TYR1915           HA       TYR1915  -0.848   9.723  -0.248
  232    HB2  TYR1915           HB2      TYR1915   0.872   7.738  -0.331
  233    HB3  TYR1915           HB1      TYR1915  -0.255   7.070  -1.508
  234    HD1  TYR1915           HD2      TYR1915  -0.943   8.721  -3.448
  235    HD2  TYR1915           HD1      TYR1915   2.527   9.155  -1.049
  236    HE1  TYR1915           HE2      TYR1915   0.059  10.156  -5.166
  237    HE2  TYR1915           HE1      TYR1915   3.540  10.590  -2.758
  238    HH   TYR1915           HH       TYR1915   3.388  11.212  -4.951
  239    H    THR1916           HN       THR1916  -2.373  10.387  -1.555
  240    HA   THR1916           HA       THR1916  -4.628   8.619  -2.137
  241    HB   THR1916           HB       THR1916  -5.264  10.643  -0.969
  242    HG1  THR1916           HG1      THR1916  -6.831  10.146  -2.432
  243   HG21  THR1916          HG21      THR1916  -3.369  12.033  -1.515
  244   HG22  THR1916          HG22      THR1916  -4.849  12.889  -1.982
  245   HG23  THR1916          HG23      THR1916  -3.848  12.075  -3.200
  246    H    ILE1917           HN       ILE1917  -5.222   8.080  -3.999
  247    HA   ILE1917           HA       ILE1917  -4.027   9.276  -6.382
  248    HB   ILE1917           HB       ILE1917  -4.996   6.560  -6.737
  249   HG12  ILE1917          HG12      ILE1917  -2.544   6.817  -4.966
  250   HG13  ILE1917          HG11      ILE1917  -4.123   6.273  -4.407
  251   HG21  ILE1917          HG21      ILE1917  -2.776   6.288  -7.855
  252   HG22  ILE1917          HG22      ILE1917  -2.306   7.857  -7.211
  253   HG23  ILE1917          HG23      ILE1917  -3.623   7.750  -8.379
  254   HD11  ILE1917          HD11      ILE1917  -2.409   4.907  -6.470
  255   HD12  ILE1917          HD12      ILE1917  -3.986   4.352  -5.907
  256   HD13  ILE1917          HD13      ILE1917  -2.619   4.405  -4.792
  257    H    THR1918           HN       THR1918  -5.693   8.223  -8.210
  258    HA   THR1918           HA       THR1918  -8.325   8.875  -7.128
  259    HB   THR1918           HB       THR1918  -7.334   9.373  -9.958
  260    HG1  THR1918           HG1      THR1918  -6.762  11.276  -9.274
  261   HG21  THR1918          HG21      THR1918  -9.370  10.736 -10.163
  262   HG22  THR1918          HG22      THR1918  -9.835  10.299  -8.517
  263   HG23  THR1918          HG23      THR1918  -9.781   9.065  -9.776
  264    H    ASP1919           HN       ASP1919 -10.077   7.629  -7.766
  265    HA   ASP1919           HA       ASP1919  -9.461   4.933  -8.432
  266    HB2  ASP1919           HB2      ASP1919 -11.087   5.282  -6.754
  267    HB3  ASP1919           HB1      ASP1919 -11.892   6.519  -7.679
  268    H    SER1920           HN       SER1920 -11.167   3.929 -10.044
  269    HA   SER1920           HA       SER1920 -10.372   4.309 -12.598
  270    HB2  SER1920           HB2      SER1920 -11.643   2.373 -11.677
  271    HB3  SER1920           HB1      SER1920 -13.105   3.348 -11.727
  272    HG   SER1920           HG       SER1920 -12.121   1.839 -13.568
  273    H    HIS1921           HN       HIS1921 -13.229   5.857 -11.061
  274    HA   HIS1921           HA       HIS1921 -13.056   8.000 -13.015
  275    HB2  HIS1921           HB2      HIS1921 -14.366   6.331 -14.256
  276    HB3  HIS1921           HB1      HIS1921 -15.531   6.262 -12.945
  277    HD1  HIS1921           HD1      HIS1921 -17.471   7.918 -13.074
  278    HD2  HIS1921           HD2      HIS1921 -14.363   8.887 -15.659
  279    HE1  HIS1921           HE1      HIS1921 -18.362   9.708 -14.554
  280    HE2  HIS1921           HE2      HIS1921 -16.601   9.982 -16.304
  281    H    ASN1922           HN       ASN1922 -15.021   6.533 -10.471
  282    HA   ASN1922           HA       ASN1922 -16.249   9.103  -9.929
  283    HB2  ASN1922           HB2      ASN1922 -16.772   6.335  -8.977
  284    HB3  ASN1922           HB1      ASN1922 -17.678   7.739  -8.455
  285   HD21  ASN1922          HD21      ASN1922 -18.557   5.347 -10.030
  286   HD22  ASN1922          HD22      ASN1922 -19.193   5.996 -11.487
  287    H    ARG1923           HN       ARG1923 -14.521   6.625  -8.182
  288    HA   ARG1923           HA       ARG1923 -14.870   7.993  -5.638
  289    HB2  ARG1923           HB2      ARG1923 -13.249   5.551  -6.182
  290    HB3  ARG1923           HB1      ARG1923 -14.063   6.018  -4.688
  291    HG2  ARG1923           HG2      ARG1923 -16.168   5.430  -5.570
  292    HG3  ARG1923           HG1      ARG1923 -15.522   5.317  -7.217
  293    HD2  ARG1923           HD2      ARG1923 -14.018   3.503  -6.387
  294    HD3  ARG1923           HD1      ARG1923 -14.921   3.532  -4.879
  295    HE   ARG1923           HE       ARG1923 -16.877   2.947  -6.205
  296   HH11  ARG1923          HH11      ARG1923 -13.672   2.369  -7.735
  297   HH12  ARG1923          HH12      ARG1923 -14.096   0.905  -8.456
  298   HH21  ARG1923          HH21      ARG1923 -17.467   0.901  -7.236
  299   HH22  ARG1923          HH22      ARG1923 -16.347   0.045  -8.206
  300    H    LYS1924           HN       LYS1924 -12.795   7.595  -4.194
  301    HA   LYS1924           HA       LYS1924 -10.405   8.719  -5.485
  302    HB2  LYS1924           HB2      LYS1924 -11.413   9.165  -2.646
  303    HB3  LYS1924           HB1      LYS1924  -9.920   9.807  -3.311
  304    HG2  LYS1924           HG2      LYS1924 -11.174  11.174  -4.868
  305    HG3  LYS1924           HG1      LYS1924 -12.684  10.489  -4.278
  306    HD2  LYS1924           HD2      LYS1924 -12.443  12.645  -3.280
  307    HD3  LYS1924           HD1      LYS1924 -12.143  11.455  -2.022
  308    HE2  LYS1924           HE2      LYS1924  -9.905  12.752  -3.573
  309    HE3  LYS1924           HE1      LYS1924 -10.601  13.513  -2.154
  310    HZ1  LYS1924           HZ1      LYS1924  -9.221  10.825  -2.136
  311    HZ2  LYS1924           HZ2      LYS1924  -9.871  11.640  -0.820
  312    HZ3  LYS1924           HZ3      LYS1924  -8.605  12.310  -1.645
  313    H    ILE1925           HN       ILE1925  -8.440   7.664  -4.782
  314    HA   ILE1925           HA       ILE1925  -8.954   5.319  -3.131
  315    HB   ILE1925           HB       ILE1925  -7.088   5.454  -5.530
  316   HG12  ILE1925          HG12      ILE1925  -9.497   3.733  -4.910
  317   HG13  ILE1925          HG11      ILE1925  -9.426   5.024  -6.095
  318   HG21  ILE1925          HG21      ILE1925  -7.381   3.220  -3.505
  319   HG22  ILE1925          HG22      ILE1925  -5.966   4.254  -3.718
  320   HG23  ILE1925          HG23      ILE1925  -6.436   3.136  -4.994
  321   HD11  ILE1925          HD11      ILE1925  -7.812   3.717  -7.433
  322   HD12  ILE1925          HD12      ILE1925  -9.296   2.796  -7.172
  323   HD13  ILE1925          HD13      ILE1925  -7.858   2.434  -6.230
  324    H    GLU1926           HN       GLU1926  -8.294   5.917  -1.349
  325    HA   GLU1926           HA       GLU1926  -5.640   7.159  -1.077
  326    HB2  GLU1926           HB2      GLU1926  -7.883   6.902   0.936
  327    HB3  GLU1926           HB1      GLU1926  -6.263   7.401   1.379
  328    HG2  GLU1926           HG2      GLU1926  -7.681   9.323   1.186
  329    HG3  GLU1926           HG1      GLU1926  -6.493   9.348  -0.109
  330    H    LEU1927           HN       LEU1927  -3.976   6.003  -0.388
  331    HA   LEU1927           HA       LEU1927  -4.555   3.650   1.173
  332    HB2  LEU1927           HB2      LEU1927  -2.842   2.348  -0.125
  333    HB3  LEU1927           HB1      LEU1927  -4.325   2.669  -0.986
  334    HG   LEU1927           HG       LEU1927  -3.074   4.556  -2.161
  335   HD11  LEU1927          HD11      LEU1927  -1.167   4.759  -0.671
  336   HD12  LEU1927          HD12      LEU1927  -0.660   4.359  -2.313
  337   HD13  LEU1927          HD13      LEU1927  -0.673   3.110  -1.066
  338   HD21  LEU1927          HD21      LEU1927  -2.245   1.704  -2.563
  339   HD22  LEU1927          HD22      LEU1927  -2.015   3.002  -3.727
  340   HD23  LEU1927          HD23      LEU1927  -3.649   2.511  -3.267
  341    H    ASN1928           HN       ASN1928  -3.113   3.226   2.722
  342    HA   ASN1928           HA       ASN1928  -0.733   4.941   2.769
  343    HB2  ASN1928           HB2      ASN1928  -2.534   5.576   4.482
  344    HB3  ASN1928           HB1      ASN1928  -2.248   4.011   5.228
  345   HD21  ASN1928          HD21      ASN1928  -1.900   6.655   6.338
  346   HD22  ASN1928          HD22      ASN1928  -0.283   6.803   6.842
  347    H    VAL1929           HN       VAL1929   1.007   3.799   2.710
  348    HA   VAL1929           HA       VAL1929   1.130   1.153   2.241
  349    HB   VAL1929           HB       VAL1929   3.068   2.347   1.654
  350   HG11  VAL1929          HG11      VAL1929   2.891   4.133   3.317
  351   HG12  VAL1929          HG12      VAL1929   4.530   3.512   3.147
  352   HG13  VAL1929          HG13      VAL1929   3.565   3.049   4.541
  353   HG21  VAL1929          HG21      VAL1929   3.586   0.074   2.323
  354   HG22  VAL1929          HG22      VAL1929   3.855   0.607   3.980
  355   HG23  VAL1929          HG23      VAL1929   4.932   1.153   2.692
  356    H    CYS1930           HN       CYS1930   1.941   2.348   5.533
  357    HA   CYS1930           HA       CYS1930   0.508   0.157   6.535
  358    HB2  CYS1930           HB2      CYS1930   2.334  -1.032   7.684
  359    HB3  CYS1930           HB1      CYS1930   2.436  -1.137   5.938
  360    H    ALA1931           HN       ALA1931   0.233   2.751   6.821
  361    HA   ALA1931           HA       ALA1931   0.417   2.865   9.684
  362    HB1  ALA1931           HB1      ALA1931   0.771   5.315   9.600
  363    HB2  ALA1931           HB2      ALA1931   0.975   5.221   7.846
  364    HB3  ALA1931           HB3      ALA1931   2.134   4.437   8.922
  365    H    GLU1932           HN       GLU1932  -1.158   4.560  10.312
  366    HA   GLU1932           HA       GLU1932  -3.750   3.759   9.458
  367    HB2  GLU1932           HB2      GLU1932  -2.920   6.150  11.103
  368    HB3  GLU1932           HB1      GLU1932  -4.541   5.459  11.031
  369    HG2  GLU1932           HG2      GLU1932  -3.840   3.468  12.097
  370    HG3  GLU1932           HG1      GLU1932  -2.141   3.894  11.917
  371    H    ALA1933           HN       ALA1933  -4.894   4.451   7.708
  372    HA   ALA1933           HA       ALA1933  -3.926   6.726   6.216
  373    HB1  ALA1933           HB1      ALA1933  -4.616   4.691   5.016
  374    HB2  ALA1933           HB2      ALA1933  -5.564   6.092   4.519
  375    HB3  ALA1933           HB3      ALA1933  -6.261   4.901   5.615
  376    H    LYS1934           HN       LYS1934  -4.355   8.414   7.551
  377    HA   LYS1934           HA       LYS1934  -7.134   8.886   8.278
  378    HB2  LYS1934           HB2      LYS1934  -5.219   8.965   9.947
  379    HB3  LYS1934           HB1      LYS1934  -4.691  10.400   9.123
  380    HG2  LYS1934           HG2      LYS1934  -6.658  11.608   9.726
  381    HG3  LYS1934           HG1      LYS1934  -7.386  10.158  10.426
  382    HD2  LYS1934           HD2      LYS1934  -6.454  11.585  12.174
  383    HD3  LYS1934           HD1      LYS1934  -5.584  10.050  12.080
  384    HE2  LYS1934           HE2      LYS1934  -3.857  11.202  10.695
  385    HE3  LYS1934           HE1      LYS1934  -4.701  12.721  10.989
  386    HZ1  LYS1934           HZ1      LYS1934  -3.463  10.958  13.012
  387    HZ2  LYS1934           HZ2      LYS1934  -4.325  12.363  13.396
  388    HZ3  LYS1934           HZ3      LYS1934  -2.875  12.452  12.536
  389    H    SER1935           HN       SER1935  -7.967   9.564   6.435
  390    HA   SER1935           HA       SER1935  -7.661  12.309   5.729
  391    HB2  SER1935           HB2      SER1935  -7.049  10.198   3.606
  392    HB3  SER1935           HB1      SER1935  -7.325  11.904   3.265
  393    HG   SER1935           HG       SER1935  -5.455  11.420   5.188
  394    H    SER1936           HN       SER1936  -8.876   9.516   3.844
  395    HA   SER1936           HA       SER1936 -11.539  10.520   4.100
  396    HB2  SER1936           HB2      SER1936 -11.830   8.391   2.621
  397    HB3  SER1936           HB1      SER1936 -11.031   9.816   1.943
  398    HG   SER1936           HG       SER1936  -9.677   8.285   1.478
  399    H    CYS1937           HN       CYS1937  -9.573   7.709   4.975
  400    HA   CYS1937           HA       CYS1937 -11.637   6.774   6.691
  401    HB2  CYS1937           HB2      CYS1937  -8.800   5.792   6.285
  402    HB3  CYS1937           HB1      CYS1937  -9.957   5.001   7.347
  403    H    ALA1938           HN       ALA1938 -10.327   6.078   9.121
  404    HA   ALA1938           HA       ALA1938  -9.015   8.561   9.946
  405    HB1  ALA1938           HB1      ALA1938 -11.401   8.753  10.500
  406    HB2  ALA1938           HB2      ALA1938 -10.353   8.703  11.931
  407    HB3  ALA1938           HB3      ALA1938 -11.258   7.276  11.465
  408    H    ASN1939           HN       ASN1939  -9.883   5.230  11.020
  409    HA   ASN1939           HA       ASN1939  -7.654   5.602  12.729
  410    HB2  ASN1939           HB2      ASN1939  -9.731   5.455  13.972
  411    HB3  ASN1939           HB1      ASN1939  -9.995   3.830  13.353
  412   HD21  ASN1939          HD21      ASN1939  -6.880   5.173  14.473
  413   HD22  ASN1939          HD22      ASN1939  -6.751   4.088  15.789
  414    H    GLY1940           HN       GLY1940  -9.336   2.551  11.766
  415    HA2  GLY1940           HA2      GLY1940  -6.659   1.346  11.789
  416    HA3  GLY1940           HA1      GLY1940  -8.166   0.507  12.086
  417    H    ALA1941           HN       ALA1941  -8.357   2.578   9.439
  418    HA   ALA1941           HA       ALA1941  -8.212   0.250   7.670
  419    HB1  ALA1941           HB1      ALA1941 -10.278   1.566   7.609
  420    HB2  ALA1941           HB2      ALA1941  -9.433   1.628   6.061
  421    HB3  ALA1941           HB3      ALA1941  -9.352   2.999   7.166
  422    H    ALA1942           HN       ALA1942  -6.987   0.338   5.704
  423    HA   ALA1942           HA       ALA1942  -4.976   2.467   5.724
  424    HB1  ALA1942           HB1      ALA1942  -3.239   0.890   5.104
  425    HB2  ALA1942           HB2      ALA1942  -4.422  -0.420   5.075
  426    HB3  ALA1942           HB3      ALA1942  -4.028   0.369   6.599
  427    H    VAL1943           HN       VAL1943  -6.767   0.140   3.741
  428    HA   VAL1943           HA       VAL1943  -6.165   1.862   1.445
  429    HB   VAL1943           HB       VAL1943  -7.316  -0.956   1.441
  430   HG11  VAL1943          HG11      VAL1943  -6.513   0.828  -0.866
  431   HG12  VAL1943          HG12      VAL1943  -8.162   0.395  -0.419
  432   HG13  VAL1943          HG13      VAL1943  -7.052  -0.847  -0.998
  433   HG21  VAL1943          HG21      VAL1943  -5.191  -1.602   0.417
  434   HG22  VAL1943          HG22      VAL1943  -4.951  -0.915   2.023
  435   HG23  VAL1943          HG23      VAL1943  -4.608   0.053   0.592
  436    H    CYS1944           HN       CYS1944  -7.633   3.257   0.957
  437    HA   CYS1944           HA       CYS1944 -10.379   2.821   1.853
  438    HB2  CYS1944           HB2      CYS1944  -8.833   5.402   1.665
  439    HB3  CYS1944           HB1      CYS1944 -10.472   5.195   2.279
  440    H    ILE1945           HN       ILE1945 -11.420   2.293  -0.017
  441    HA   ILE1945           HA       ILE1945 -10.943   3.947  -2.373
  442    HB   ILE1945           HB       ILE1945 -12.956   1.678  -2.083
  443   HG12  ILE1945          HG12      ILE1945 -10.732   0.748  -1.562
  444   HG13  ILE1945          HG11      ILE1945 -11.325   0.143  -3.102
  445   HG21  ILE1945          HG21      ILE1945 -12.766   1.554  -4.529
  446   HG22  ILE1945          HG22      ILE1945 -11.628   2.905  -4.495
  447   HG23  ILE1945          HG23      ILE1945 -13.297   3.143  -3.976
  448   HD11  ILE1945          HD11      ILE1945  -9.845   1.708  -4.270
  449   HD12  ILE1945          HD12      ILE1945  -8.948   0.641  -3.190
  450   HD13  ILE1945          HD13      ILE1945  -9.265   2.309  -2.717
  451    H    THR1946           HN       THR1946 -11.823   5.868  -1.720
  452    HA   THR1946           HA       THR1946 -14.199   5.890  -0.124
  453    HB   THR1946           HB       THR1946 -12.823   8.364  -1.143
  454    HG1  THR1946           HG1      THR1946 -11.005   7.775  -0.126
  455   HG21  THR1946          HG21      THR1946 -13.874   7.542   1.585
  456   HG22  THR1946          HG22      THR1946 -14.826   8.455   0.410
  457   HG23  THR1946          HG23      THR1946 -13.360   9.151   1.112
  458    H    ASP1947           HN       ASP1947 -15.897   5.385  -1.294
  459    HA   ASP1947           HA       ASP1947 -16.432   6.583  -3.903
  460    HB2  ASP1947           HB2      ASP1947 -16.781   4.134  -3.581
  461    HB3  ASP1947           HB1      ASP1947 -17.938   4.474  -2.308
  462    H    GLY1948           HN       GLY1948 -16.920   8.662  -3.358
  463    HA2  GLY1948           HA2      GLY1948 -18.276  10.404  -2.735
  464    HA3  GLY1948           HA1      GLY1948 -19.545   9.221  -2.410
  465    HA   PRO1949           HA       PRO1949 -18.533  10.391   1.851
  466    HB2  PRO1949           HB2      PRO1949 -20.842   9.576   2.946
  467    HB3  PRO1949           HB1      PRO1949 -20.750  11.061   1.992
  468    HG2  PRO1949           HG2      PRO1949 -21.772   8.367   1.204
  469    HG3  PRO1949           HG1      PRO1949 -22.423   9.969   0.822
  470    HD2  PRO1949           HD2      PRO1949 -20.882   8.459  -0.889
  471    HD3  PRO1949           HD1      PRO1949 -21.048  10.224  -0.975
  472    H    LYS1950           HN       LYS1950 -19.269   7.417   0.445
  473    HA   LYS1950           HA       LYS1950 -19.013   5.716   2.776
  474    HB2  LYS1950           HB2      LYS1950 -20.614   5.153   1.038
  475    HB3  LYS1950           HB1      LYS1950 -19.361   5.221  -0.184
  476    HG2  LYS1950           HG2      LYS1950 -18.303   3.244   0.884
  477    HG3  LYS1950           HG1      LYS1950 -19.680   3.160   1.989
  478    HD2  LYS1950           HD2      LYS1950 -21.199   2.892   0.113
  479    HD3  LYS1950           HD1      LYS1950 -19.857   3.055  -1.018
  480    HE2  LYS1950           HE2      LYS1950 -20.465   0.725  -0.749
  481    HE3  LYS1950           HE1      LYS1950 -18.854   1.021  -0.103
  482    HZ1  LYS1950           HZ1      LYS1950 -20.238  -0.394   1.310
  483    HZ2  LYS1950           HZ2      LYS1950 -21.330   0.869   1.540
  484    HZ3  LYS1950           HZ3      LYS1950 -19.741   0.990   2.124
  485    H    THR1951           HN       THR1951 -17.207   4.268   3.035
  486    HA   THR1951           HA       THR1951 -14.965   4.859   1.269
  487    HB   THR1951           HB       THR1951 -14.667   4.511   4.261
  488    HG1  THR1951           HG1      THR1951 -15.528   6.637   2.752
  489   HG21  THR1951          HG21      THR1951 -12.921   5.722   2.110
  490   HG22  THR1951          HG22      THR1951 -12.696   4.129   2.832
  491   HG23  THR1951          HG23      THR1951 -12.507   5.579   3.820
  492    H    LEU1952           HN       LEU1952 -14.723   2.987   0.234
  493    HA   LEU1952           HA       LEU1952 -15.470   0.482   1.406
  494    HB2  LEU1952           HB2      LEU1952 -15.718   1.221  -1.054
  495    HB3  LEU1952           HB1      LEU1952 -13.997   0.982  -1.188
  496    HG   LEU1952           HG       LEU1952 -15.253  -0.866  -2.163
  497   HD11  LEU1952          HD11      LEU1952 -14.211  -2.772  -1.065
  498   HD12  LEU1952          HD12      LEU1952 -13.797  -1.749   0.311
  499   HD13  LEU1952          HD13      LEU1952 -13.084  -1.431  -1.270
  500   HD21  LEU1952          HD21      LEU1952 -16.362  -1.291   0.597
  501   HD22  LEU1952          HD22      LEU1952 -16.579  -2.379  -0.776
  502   HD23  LEU1952          HD23      LEU1952 -17.253  -0.749  -0.826
  503    H    ASN1953           HN       ASN1953 -14.156  -0.349   2.841
  504    HA   ASN1953           HA       ASN1953 -11.334   0.229   2.762
  505    HB2  ASN1953           HB2      ASN1953 -12.996  -1.375   4.720
  506    HB3  ASN1953           HB1      ASN1953 -11.256  -1.144   4.866
  507   HD21  ASN1953          HD21      ASN1953 -11.319   1.613   3.927
  508   HD22  ASN1953          HD22      ASN1953 -12.006   2.541   5.198
  509    H    ALA1954           HN       ALA1954 -10.197  -0.825   1.353
  510    HA   ALA1954           HA       ALA1954 -10.926  -3.575   0.671
  511    HB1  ALA1954           HB1      ALA1954  -9.360  -3.329  -1.203
  512    HB2  ALA1954           HB2      ALA1954  -8.878  -1.743  -0.598
  513    HB3  ALA1954           HB3      ALA1954 -10.525  -2.004  -1.177
  514    H    GLY1955           HN       GLY1955  -9.352  -2.294   3.018
  515    HA2  GLY1955           HA2      GLY1955  -8.097  -4.539   3.900
  516    HA3  GLY1955           HA1      GLY1955  -6.868  -3.638   3.016
  517    H    LYS1956           HN       LYS1956  -7.705  -4.226   5.971
  518    HA   LYS1956           HA       LYS1956  -7.732  -1.515   6.934
  519    HB2  LYS1956           HB2      LYS1956  -7.532  -2.526   9.198
  520    HB3  LYS1956           HB1      LYS1956  -8.938  -3.052   8.294
  521    HG2  LYS1956           HG2      LYS1956  -7.968  -5.188   7.878
  522    HG3  LYS1956           HG1      LYS1956  -6.402  -4.640   8.491
  523    HD2  LYS1956           HD2      LYS1956  -7.862  -6.085  10.052
  524    HD3  LYS1956           HD1      LYS1956  -7.137  -4.621  10.713
  525    HE2  LYS1956           HE2      LYS1956  -9.487  -4.901  11.407
  526    HE3  LYS1956           HE1      LYS1956  -9.237  -3.433  10.473
  527    HZ1  LYS1956           HZ1      LYS1956 -10.081  -4.773   8.500
  528    HZ2  LYS1956           HZ2      LYS1956 -11.169  -4.332   9.664
  529    HZ3  LYS1956           HZ3      LYS1956 -10.628  -5.925   9.605
  530    H    LEU1957           HN       LEU1957  -6.103  -1.199   8.862
  531    HA   LEU1957           HA       LEU1957  -3.656  -0.857   7.608
  532    HB2  LEU1957           HB2      LEU1957  -4.389   0.679   9.297
  533    HB3  LEU1957           HB1      LEU1957  -4.494  -0.584  10.488
  534    HG   LEU1957           HG       LEU1957  -2.557   1.139  10.622
  535   HD11  LEU1957          HD11      LEU1957  -2.634  -0.830  12.045
  536   HD12  LEU1957          HD12      LEU1957  -0.987  -0.487  11.514
  537   HD13  LEU1957          HD13      LEU1957  -1.902  -1.797  10.761
  538   HD21  LEU1957          HD21      LEU1957  -1.468  -0.679   8.469
  539   HD22  LEU1957          HD22      LEU1957  -0.540   0.506   9.376
  540   HD23  LEU1957          HD23      LEU1957  -1.834   1.034   8.305
  541    H    SER1958           HN       SER1958  -2.326  -2.223   7.104
  542    HA   SER1958           HA       SER1958  -1.763  -4.515   8.806
  543    HB2  SER1958           HB2      SER1958  -2.767  -4.963   6.530
  544    HB3  SER1958           HB1      SER1958  -1.367  -4.173   5.816
  545    HG   SER1958           HG       SER1958  -1.103  -6.346   5.804
  546    H    LYS1959           HN       LYS1959  -0.026  -3.787   9.975
  547    HA   LYS1959           HA       LYS1959   1.982  -2.219   8.553
  548    HB2  LYS1959           HB2      LYS1959   1.075  -1.075  10.471
  549    HB3  LYS1959           HB1      LYS1959   1.452  -2.434  11.551
  550    HG2  LYS1959           HG2      LYS1959   3.863  -1.886  10.988
  551    HG3  LYS1959           HG1      LYS1959   3.241  -0.453  10.169
  552    HD2  LYS1959           HD2      LYS1959   2.867  -1.160  13.075
  553    HD3  LYS1959           HD1      LYS1959   3.924   0.093  12.432
  554    HE2  LYS1959           HE2      LYS1959   2.005   1.340  11.628
  555    HE3  LYS1959           HE1      LYS1959   0.913   0.054  12.136
  556    HZ1  LYS1959           HZ1      LYS1959   2.597   1.732  13.933
  557    HZ2  LYS1959           HZ2      LYS1959   1.713   0.391  14.408
  558    HZ3  LYS1959           HZ3      LYS1959   0.893   1.737  13.814
  559    H    THR1960           HN       THR1960   2.630  -4.169   7.569
  560    HA   THR1960           HA       THR1960   4.699  -5.498   9.048
  561    HB   THR1960           HB       THR1960   2.748  -7.030   9.335
  562    HG1  THR1960           HG1      THR1960   4.005  -8.661   9.022
  563   HG21  THR1960          HG21      THR1960   1.699  -8.111   7.379
  564   HG22  THR1960          HG22      THR1960   2.634  -7.070   6.308
  565   HG23  THR1960          HG23      THR1960   1.422  -6.370   7.383
  566    H    LEU1961           HN       LEU1961   6.240  -6.382   7.484
  567    HA   LEU1961           HA       LEU1961   5.760  -5.582   4.756
  568    HB2  LEU1961           HB2      LEU1961   6.810  -3.652   5.988
  569    HB3  LEU1961           HB1      LEU1961   8.193  -4.682   6.288
  570    HG   LEU1961           HG       LEU1961   8.584  -4.862   3.893
  571   HD11  LEU1961          HD11      LEU1961   7.346  -3.399   2.341
  572   HD12  LEU1961          HD12      LEU1961   6.293  -2.899   3.665
  573   HD13  LEU1961          HD13      LEU1961   6.280  -4.573   3.113
  574   HD21  LEU1961          HD21      LEU1961   8.344  -2.036   4.906
  575   HD22  LEU1961          HD22      LEU1961   9.344  -2.559   3.549
  576   HD23  LEU1961          HD23      LEU1961   9.699  -3.129   5.181
  577    H    THR1962           HN       THR1962   6.671  -7.081   3.385
  578    HA   THR1962           HA       THR1962   8.776  -8.739   4.421
  579    HB   THR1962           HB       THR1962   6.830  -9.918   5.223
  580    HG1  THR1962           HG1      THR1962   7.431 -11.767   4.594
  581   HG21  THR1962          HG21      THR1962   5.042 -10.725   3.714
  582   HG22  THR1962          HG22      THR1962   5.762  -9.784   2.398
  583   HG23  THR1962          HG23      THR1962   5.128  -8.968   3.833
  584    H    TYR1963           HN       TYR1963   9.210 -10.428   2.554
  585    HA   TYR1963           HA       TYR1963   9.037  -8.958   0.045
  586    HB2  TYR1963           HB2      TYR1963  11.334  -9.754  -0.550
  587    HB3  TYR1963           HB1      TYR1963  11.320  -8.643   0.811
  588    HD1  TYR1963           HD2      TYR1963  11.662  -9.558   3.121
  589    HD2  TYR1963           HD1      TYR1963  12.182 -11.953  -0.352
  590    HE1  TYR1963           HE2      TYR1963  12.930 -11.187   4.440
  591    HE2  TYR1963           HE1      TYR1963  13.453 -13.585   0.960
  592    HH   TYR1963           HH       TYR1963  13.384 -13.651   4.258
  593    H    GLU1964           HN       GLU1964   8.551 -10.099  -1.699
  594    HA   GLU1964           HA       GLU1964   8.316 -12.982  -1.509
  595    HB2  GLU1964           HB2      GLU1964   6.249 -11.979  -0.505
  596    HB3  GLU1964           HB1      GLU1964   5.963 -11.149  -2.020
  597    HG2  GLU1964           HG2      GLU1964   4.560 -13.075  -1.852
  598    HG3  GLU1964           HG1      GLU1964   5.743 -13.306  -3.137
  599    H    ASP1965           HN       ASP1965   8.966 -13.729  -3.411
  600    HA   ASP1965           HA       ASP1965   9.438 -13.988  -5.604
  601    HB2  ASP1965           HB2      ASP1965   7.558 -11.626  -6.024
  602    HB3  ASP1965           HB1      ASP1965   8.273 -12.563  -7.332
  603    H    GLN1966           HN       GLN1966  10.783 -12.423  -3.713
  604    HA   GLN1966           HA       GLN1966  12.630 -11.203  -3.394
  605    HB2  GLN1966           HB2      GLN1966  12.842 -11.112  -6.403
  606    HB3  GLN1966           HB1      GLN1966  14.059 -10.481  -5.308
  607    HG2  GLN1966           HG2      GLN1966  14.295 -12.774  -4.372
  608    HG3  GLN1966           HG1      GLN1966  13.202 -13.343  -5.635
  609   HE21  GLN1966          HE21      GLN1966  14.823 -14.653  -6.587
  610   HE22  GLN1966          HE22      GLN1966  16.098 -13.925  -7.484
  611    H    VAL1967           HN       VAL1967   9.965  -9.966  -4.877
  612    HA   VAL1967           HA       VAL1967  10.854  -7.186  -4.918
  613    HB   VAL1967           HB       VAL1967   8.024  -8.245  -5.365
  614   HG11  VAL1967          HG11      VAL1967   8.154  -5.869  -5.044
  615   HG12  VAL1967          HG12      VAL1967   7.693  -6.258  -6.698
  616   HG13  VAL1967          HG13      VAL1967   9.339  -5.741  -6.343
  617   HG21  VAL1967          HG21      VAL1967   9.477  -9.449  -6.906
  618   HG22  VAL1967          HG22      VAL1967  10.160  -7.923  -7.469
  619   HG23  VAL1967          HG23      VAL1967   8.462  -8.294  -7.770
  620    H    LEU1968           HN       LEU1968   9.558  -5.609  -3.548
  621    HA   LEU1968           HA       LEU1968   9.276  -6.773  -0.927
  622    HB2  LEU1968           HB2      LEU1968  10.426  -4.612  -1.309
  623    HB3  LEU1968           HB1      LEU1968   8.927  -3.935  -1.905
  624    HG   LEU1968           HG       LEU1968   7.929  -4.201   0.316
  625   HD11  LEU1968          HD11      LEU1968   9.198  -6.118   1.089
  626   HD12  LEU1968          HD12      LEU1968   9.408  -4.765   2.208
  627   HD13  LEU1968          HD13      LEU1968  10.681  -5.166   1.063
  628   HD21  LEU1968          HD21      LEU1968  10.564  -2.748   0.301
  629   HD22  LEU1968          HD22      LEU1968   9.233  -2.457   1.423
  630   HD23  LEU1968          HD23      LEU1968   9.033  -2.117  -0.299
  631    H    LYS1969           HN       LYS1969   7.314  -7.112   0.097
  632    HA   LYS1969           HA       LYS1969   4.918  -6.369  -1.418
  633    HB2  LYS1969           HB2      LYS1969   5.502  -9.148  -0.392
  634    HB3  LYS1969           HB1      LYS1969   3.937  -8.617  -0.975
  635    HG2  LYS1969           HG2      LYS1969   6.473  -8.773  -2.605
  636    HG3  LYS1969           HG1      LYS1969   5.153  -9.938  -2.640
  637    HD2  LYS1969           HD2      LYS1969   3.646  -8.155  -3.440
  638    HD3  LYS1969           HD1      LYS1969   5.011  -7.037  -3.449
  639    HE2  LYS1969           HE2      LYS1969   4.712  -7.817  -5.683
  640    HE3  LYS1969           HE1      LYS1969   6.163  -8.585  -5.042
  641    HZ1  LYS1969           HZ1      LYS1969   4.816 -10.628  -4.653
  642    HZ2  LYS1969           HZ2      LYS1969   4.782 -10.139  -6.274
  643    HZ3  LYS1969           HZ3      LYS1969   3.476  -9.812  -5.292
  644    H    LEU1970           HN       LEU1970   3.054  -6.177  -0.270
  645    HA   LEU1970           HA       LEU1970   2.988  -6.685   2.582
  646    HB2  LEU1970           HB2      LEU1970   3.850  -4.307   2.055
  647    HB3  LEU1970           HB1      LEU1970   2.274  -3.996   1.378
  648    HG   LEU1970           HG       LEU1970   2.694  -4.752   4.273
  649   HD11  LEU1970          HD11      LEU1970   2.536  -2.023   3.022
  650   HD12  LEU1970          HD12      LEU1970   3.961  -2.749   3.770
  651   HD13  LEU1970          HD13      LEU1970   2.547  -2.365   4.751
  652   HD21  LEU1970          HD21      LEU1970   0.423  -3.334   2.865
  653   HD22  LEU1970          HD22      LEU1970   0.512  -3.690   4.588
  654   HD23  LEU1970          HD23      LEU1970   0.390  -5.007   3.422
  655    H    VAL1971           HN       VAL1971   0.780  -7.095   3.183
  656    HA   VAL1971           HA       VAL1971  -1.137  -6.977   0.966
  657    HB   VAL1971           HB       VAL1971  -2.123  -9.120   1.674
  658   HG11  VAL1971          HG11      VAL1971  -0.542  -9.142  -0.153
  659   HG12  VAL1971          HG12      VAL1971  -0.386 -10.615   0.804
  660   HG13  VAL1971          HG13      VAL1971   0.800  -9.319   0.976
  661   HG21  VAL1971          HG21      VAL1971  -0.873 -10.628   3.180
  662   HG22  VAL1971          HG22      VAL1971  -1.453  -9.178   3.987
  663   HG23  VAL1971          HG23      VAL1971   0.248  -9.307   3.536
  664    H    TYR1972           HN       TYR1972  -3.074  -6.286   1.424
  665    HA   TYR1972           HA       TYR1972  -3.747  -5.616   4.234
  666    HB2  TYR1972           HB2      TYR1972  -4.904  -4.504   1.680
  667    HB3  TYR1972           HB1      TYR1972  -5.259  -3.974   3.313
  668    HD1  TYR1972           HD1      TYR1972  -2.881  -3.923   0.576
  669    HD2  TYR1972           HD2      TYR1972  -3.738  -2.539   4.486
  670    HE1  TYR1972           HE1      TYR1972  -1.184  -2.192   0.323
  671    HE2  TYR1972           HE2      TYR1972  -2.029  -0.800   4.248
  672    HH   TYR1972           HH       TYR1972  -0.156  -0.343   2.983
  673    H    GLU1973           HN       GLU1973  -5.656  -6.538   5.011
  674    HA   GLU1973           HA       GLU1973  -7.532  -7.486   3.077
  675    HB2  GLU1973           HB2      GLU1973  -7.674  -9.752   4.080
  676    HB3  GLU1973           HB1      GLU1973  -6.151  -9.444   3.267
  677    HG2  GLU1973           HG2      GLU1973  -5.133  -8.995   5.471
  678    HG3  GLU1973           HG1      GLU1973  -6.645  -9.476   6.235
  679    H    ASP1974           HN       ASP1974  -9.384  -8.615   4.401
  680    HA   ASP1974           HA       ASP1974 -11.176  -8.306   5.676
  681    HB2  ASP1974           HB2      ASP1974  -9.629  -9.235   7.395
  682    HB3  ASP1974           HB1      ASP1974  -9.233  -7.591   7.879
  683    H    GLY1975           HN       GLY1975 -12.162  -6.697   4.702
  684    HA2  GLY1975           HA2      GLY1975 -11.959  -4.089   6.027
  685    HA3  GLY1975           HA1      GLY1975 -11.865  -4.173   4.271
  686    H    ASP1976           HN       ASP1976 -13.667  -3.932   3.226
  687    HA   ASP1976           HA       ASP1976 -16.196  -4.128   4.673
  688    HB2  ASP1976           HB2      ASP1976 -15.668  -2.120   3.224
  689    HB3  ASP1976           HB1      ASP1976 -15.711  -3.191   1.829
  690    HA   PRO1977           HA       PRO1977 -16.200  -8.345   3.283
  691    HB2  PRO1977           HB2      PRO1977 -18.980  -8.240   4.311
  692    HB3  PRO1977           HB1      PRO1977 -17.663  -9.357   4.702
  693    HG2  PRO1977           HG2      PRO1977 -18.348  -7.472   6.423
  694    HG3  PRO1977           HG1      PRO1977 -16.634  -7.846   6.142
  695    HD2  PRO1977           HD2      PRO1977 -18.273  -5.579   5.068
  696    HD3  PRO1977           HD1      PRO1977 -16.627  -5.559   5.738
  697    H    CYS1978           HN       CYS1978 -16.281  -8.633   1.208
  698    HA   CYS1978           HA       CYS1978 -18.674  -8.032  -0.328
  699    HB2  CYS1978           HB2      CYS1978 -17.082  -8.744  -2.240
  700    HB3  CYS1978           HB1      CYS1978 -16.712  -7.239  -1.407
  701    HA   PRO1979           HA       PRO1979 -20.282 -12.171  -0.327
  702    HB2  PRO1979           HB2      PRO1979 -20.625 -12.638  -3.053
  703    HB3  PRO1979           HB1      PRO1979 -21.780 -11.823  -1.997
  704    HG2  PRO1979           HG2      PRO1979 -19.729 -10.654  -3.826
  705    HG3  PRO1979           HG1      PRO1979 -21.389 -10.111  -3.509
  706    HD2  PRO1979           HD2      PRO1979 -19.322  -8.841  -2.428
  707    HD3  PRO1979           HD1      PRO1979 -20.799  -9.125  -1.479
  708    H    THR1980           HN       THR1980 -17.599 -11.553  -2.405
  709    HA   THR1980           HA       THR1980 -16.939 -14.283  -2.885
  710    HB   THR1980           HB       THR1980 -15.209 -11.809  -3.136
  711    HG1  THR1980           HG1      THR1980 -16.831 -11.270  -4.412
  712   HG21  THR1980          HG21      THR1980 -15.208 -14.461  -4.600
  713   HG22  THR1980          HG22      THR1980 -13.958 -13.892  -3.477
  714   HG23  THR1980          HG23      THR1980 -14.233 -13.063  -5.019
  715    H    ASP1981           HN       ASP1981 -15.951 -11.771  -0.619
  716    HA   ASP1981           HA       ASP1981 -13.723 -13.046   0.541
  717    HB2  ASP1981           HB2      ASP1981 -14.000 -10.649   0.581
  718    HB3  ASP1981           HB1      ASP1981 -15.472 -10.785   1.514
  719    H    LEU1982           HN       LEU1982 -17.039 -13.338   1.070
  720    HA   LEU1982           HA       LEU1982 -17.317 -14.264   3.673
  721    HB2  LEU1982           HB2      LEU1982 -18.646 -15.342   1.216
  722    HB3  LEU1982           HB1      LEU1982 -19.180 -15.580   2.860
  723    HG   LEU1982           HG       LEU1982 -19.037 -12.901   1.519
  724   HD11  LEU1982          HD11      LEU1982 -21.302 -14.840   1.880
  725   HD12  LEU1982          HD12      LEU1982 -20.426 -14.475   0.395
  726   HD13  LEU1982          HD13      LEU1982 -21.416 -13.208   1.159
  727   HD21  LEU1982          HD21      LEU1982 -19.000 -12.879   3.965
  728   HD22  LEU1982          HD22      LEU1982 -20.428 -13.914   3.988
  729   HD23  LEU1982          HD23      LEU1982 -20.541 -12.271   3.347
  730    H    LYS1983           HN       LYS1983 -16.576 -16.108   0.754
  731    HA   LYS1983           HA       LYS1983 -16.091 -18.458   2.430
  732    HB2  LYS1983           HB2      LYS1983 -16.211 -19.792   0.384
  733    HB3  LYS1983           HB1      LYS1983 -17.616 -18.738   0.576
  734    HG2  LYS1983           HG2      LYS1983 -16.920 -17.279  -1.063
  735    HG3  LYS1983           HG1      LYS1983 -15.286 -17.944  -1.070
  736    HD2  LYS1983           HD2      LYS1983 -16.592 -18.642  -3.061
  737    HD3  LYS1983           HD1      LYS1983 -16.094 -20.008  -2.064
  738    HE2  LYS1983           HE2      LYS1983 -18.300 -20.116  -1.078
  739    HE3  LYS1983           HE1      LYS1983 -18.797 -18.693  -1.989
  740    HZ1  LYS1983           HZ1      LYS1983 -17.999 -21.298  -3.192
  741    HZ2  LYS1983           HZ2      LYS1983 -18.478 -19.907  -4.018
  742    HZ3  LYS1983           HZ3      LYS1983 -19.577 -20.698  -3.004
  743    H    MET1984           HN       MET1984 -14.505 -16.209   0.375
  744    HA   MET1984           HA       MET1984 -11.963 -17.429   0.994
  745    HB2  MET1984           HB2      MET1984 -11.268 -17.024  -1.431
  746    HB3  MET1984           HB1      MET1984 -12.300 -18.411  -1.122
  747    HG2  MET1984           HG2      MET1984 -14.229 -17.216  -1.943
  748    HG3  MET1984           HG1      MET1984 -13.284 -15.741  -2.114
  749    HE1  MET1984           HE1      MET1984 -10.836 -16.576  -4.953
  750    HE2  MET1984           HE2      MET1984 -10.673 -16.620  -3.176
  751    HE3  MET1984           HE3      MET1984 -11.552 -15.316  -3.936
  752    H    LYS1985           HN       LYS1985 -11.144 -15.889   2.107
  753    HA   LYS1985           HA       LYS1985 -11.715 -13.134   1.359
  754    HB2  LYS1985           HB2      LYS1985 -10.980 -12.432   3.554
  755    HB3  LYS1985           HB1      LYS1985 -12.037 -13.807   3.776
  756    HG2  LYS1985           HG2      LYS1985 -10.015 -15.227   4.075
  757    HG3  LYS1985           HG1      LYS1985  -9.035 -13.769   3.969
  758    HD2  LYS1985           HD2      LYS1985 -11.129 -14.387   6.056
  759    HD3  LYS1985           HD1      LYS1985  -9.389 -14.405   6.289
  760    HE2  LYS1985           HE2      LYS1985 -11.129 -11.998   5.718
  761    HE3  LYS1985           HE1      LYS1985 -10.351 -12.396   7.241
  762    HZ1  LYS1985           HZ1      LYS1985  -9.196 -11.245   4.801
  763    HZ2  LYS1985           HZ2      LYS1985  -8.185 -12.218   5.730
  764    HZ3  LYS1985           HZ3      LYS1985  -8.874 -10.889   6.427
  765    H    HIS1986           HN       HIS1986 -10.348 -12.063   0.184
  766    HA   HIS1986           HA       HIS1986  -7.659 -13.118   0.151
  767    HB2  HIS1986           HB2      HIS1986  -9.282 -12.077  -2.124
  768    HB3  HIS1986           HB1      HIS1986  -7.528 -11.927  -2.180
  769    HD1  HIS1986           HD1      HIS1986  -6.799 -13.738  -3.753
  770    HD2  HIS1986           HD2      HIS1986  -9.608 -15.078  -1.000
  771    HE1  HIS1986           HE1      HIS1986  -6.930 -16.210  -4.073
  772    HE2  HIS1986           HE2      HIS1986  -8.267 -16.967  -2.084
  773    H    LYS1987           HN       LYS1987  -6.146 -11.366  -0.943
  774    HA   LYS1987           HA       LYS1987  -6.170  -9.269   1.100
  775    HB2  LYS1987           HB2      LYS1987  -3.820 -10.629  -0.226
  776    HB3  LYS1987           HB1      LYS1987  -3.783  -9.519   1.133
  777    HG2  LYS1987           HG2      LYS1987  -4.662 -11.140   2.611
  778    HG3  LYS1987           HG1      LYS1987  -5.154 -12.193   1.282
  779    HD2  LYS1987           HD2      LYS1987  -2.751 -12.461   0.683
  780    HD3  LYS1987           HD1      LYS1987  -2.333 -11.541   2.127
  781    HE2  LYS1987           HE2      LYS1987  -3.977 -14.065   2.201
  782    HE3  LYS1987           HE1      LYS1987  -2.223 -14.067   2.316
  783    HZ1  LYS1987           HZ1      LYS1987  -3.367 -14.144   4.483
  784    HZ2  LYS1987           HZ2      LYS1987  -3.977 -12.578   4.235
  785    HZ3  LYS1987           HZ3      LYS1987  -2.341 -12.841   4.324
  786    H    SER1988           HN       SER1988  -5.402  -7.299   0.358
  787    HA   SER1988           HA       SER1988  -5.257  -6.933  -2.507
  788    HB2  SER1988           HB2      SER1988  -5.219  -4.969  -0.188
  789    HB3  SER1988           HB1      SER1988  -5.191  -4.510  -1.902
  790    HG   SER1988           HG       SER1988  -7.318  -5.100  -0.360
  791    H    TYR1989           HN       TYR1989  -3.382  -7.275  -3.371
  792    HA   TYR1989           HA       TYR1989  -1.007  -7.483  -1.742
  793    HB2  TYR1989           HB2      TYR1989  -1.480  -8.084  -4.667
  794    HB3  TYR1989           HB1      TYR1989   0.034  -8.357  -3.823
  795    HD1  TYR1989           HD1      TYR1989  -3.509  -9.416  -4.010
  796    HD2  TYR1989           HD2      TYR1989   0.378 -10.349  -2.563
  797    HE1  TYR1989           HE1      TYR1989  -4.274 -11.676  -3.439
  798    HE2  TYR1989           HE2      TYR1989  -0.380 -12.624  -1.984
  799    HH   TYR1989           HH       TYR1989  -2.439 -13.865  -1.532
  800    H    PHE1990           HN       PHE1990   0.270  -5.835  -1.443
  801    HA   PHE1990           HA       PHE1990   0.350  -3.730  -3.464
  802    HB2  PHE1990           HB2      PHE1990  -0.237  -3.412  -0.881
  803    HB3  PHE1990           HB1      PHE1990   1.514  -3.461  -0.720
  804    HD1  PHE1990           HD2      PHE1990   2.472  -1.985  -3.007
  805    HD2  PHE1990           HD1      PHE1990  -0.934  -1.267  -0.591
  806    HE1  PHE1990           HE2      PHE1990   2.532   0.385  -3.619
  807    HE2  PHE1990           HE1      PHE1990  -0.881   1.100  -1.202
  808    HZ   PHE1990           HZ       PHE1990   0.856   1.933  -2.716
  809    H    SER1991           HN       SER1991   2.091  -3.843  -4.684
  810    HA   SER1991           HA       SER1991   4.426  -5.347  -3.799
  811    HB2  SER1991           HB2      SER1991   3.309  -5.858  -6.004
  812    HB3  SER1991           HB1      SER1991   3.748  -4.242  -6.542
  813    HG   SER1991           HG       SER1991   5.342  -5.552  -7.267
  814    H    PHE1992           HN       PHE1992   6.396  -4.335  -3.631
  815    HA   PHE1992           HA       PHE1992   6.491  -1.473  -4.206
  816    HB2  PHE1992           HB2      PHE1992   7.845  -2.903  -1.899
  817    HB3  PHE1992           HB1      PHE1992   8.050  -1.202  -2.306
  818    HD1  PHE1992           HD1      PHE1992   5.807  -3.699  -0.904
  819    HD2  PHE1992           HD2      PHE1992   6.337   0.415  -1.825
  820    HE1  PHE1992           HE1      PHE1992   3.913  -3.143   0.539
  821    HE2  PHE1992           HE2      PHE1992   4.442   0.988  -0.383
  822    HZ   PHE1992           HZ       PHE1992   3.175  -0.770   0.737
  823    H    VAL1993           HN       VAL1993   7.774  -1.082  -5.710
  824    HA   VAL1993           HA       VAL1993  10.072  -2.792  -6.245
  825    HB   VAL1993           HB       VAL1993   8.363  -3.640  -7.705
  826   HG11  VAL1993          HG11      VAL1993   7.064  -2.250  -9.229
  827   HG12  VAL1993          HG12      VAL1993   7.768  -0.802  -8.497
  828   HG13  VAL1993          HG13      VAL1993   6.758  -1.886  -7.533
  829   HG21  VAL1993          HG21      VAL1993  10.019  -1.708  -9.297
  830   HG22  VAL1993          HG22      VAL1993   9.167  -3.106  -9.953
  831   HG23  VAL1993          HG23      VAL1993  10.512  -3.335  -8.823
  832    H    CYS1994           HN       CYS1994  11.808  -1.679  -7.298
  833    HA   CYS1994           HA       CYS1994  11.903   1.059  -6.477
  834    HB2  CYS1994           HB2      CYS1994  13.758  -0.360  -6.068
  835    HB3  CYS1994           HB1      CYS1994  13.917  -0.751  -7.768
  836    H    LYS1995           HN       LYS1995  11.551   2.745  -7.639
  837    HA   LYS1995           HA       LYS1995  12.169   2.669 -10.466
  838    HB2  LYS1995           HB2      LYS1995   9.756   2.232 -10.372
  839    HB3  LYS1995           HB1      LYS1995   9.525   3.709  -9.446
  840    HG2  LYS1995           HG2      LYS1995  10.260   5.043 -11.318
  841    HG3  LYS1995           HG1      LYS1995  10.624   3.592 -12.247
  842    HD2  LYS1995           HD2      LYS1995   8.251   2.973 -12.194
  843    HD3  LYS1995           HD1      LYS1995   7.898   4.437 -11.269
  844    HE2  LYS1995           HE2      LYS1995   8.672   5.816 -13.086
  845    HE3  LYS1995           HE1      LYS1995   9.155   4.391 -14.000
  846    HZ1  LYS1995           HZ1      LYS1995   6.833   3.728 -14.087
  847    HZ2  LYS1995           HZ2      LYS1995   7.106   5.236 -14.794
  848    HZ3  LYS1995           HZ3      LYS1995   6.375   5.151 -13.269
  849    H    SER1996           HN       SER1996  13.497   4.248 -10.905
  850    HA   SER1996           HA       SER1996  14.076   6.345  -9.150
  851    HB2  SER1996           HB2      SER1996  15.394   7.028 -11.259
  852    HB3  SER1996           HB1      SER1996  15.792   5.493 -10.472
  853    HG   SER1996           HG       SER1996  15.041   5.879 -12.945
  854    H    ASP1997           HN       ASP1997  11.987   6.001 -11.919
  855    HA   ASP1997           HA       ASP1997  11.511   8.849 -12.196
  856    HB2  ASP1997           HB2      ASP1997  11.561   7.353 -14.202
  857    HB3  ASP1997           HB1      ASP1997  10.123   6.537 -13.601
  858    H    ALA1998           HN       ALA1998  11.061   8.227  -9.861
  859    HA   ALA1998           HA       ALA1998   8.461   9.091  -9.192
  860    HB1  ALA1998           HB1      ALA1998   9.220   6.246  -8.461
  861    HB2  ALA1998           HB2      ALA1998   7.878   6.722  -9.502
  862    HB3  ALA1998           HB3      ALA1998   7.847   7.126  -7.783
  863    H    GLY1999           HN       GLY1999  11.184   7.151  -8.077
  864    HA2  GLY1999           HA2      GLY1999  12.876   7.521  -6.651
  865    HA3  GLY1999           HA1      GLY1999  12.690   9.207  -7.067
  866    H    ASP2000           HN       ASP2000  12.183  10.525  -5.571
  867    HA   ASP2000           HA       ASP2000  12.272   9.659  -2.868
  868    HB2  ASP2000           HB2      ASP2000  12.022  12.391  -4.101
  869    HB3  ASP2000           HB1      ASP2000  12.024  12.139  -2.360
  870    H    ASP2001           HN       ASP2001   9.773  11.513  -4.614
  871    HA   ASP2001           HA       ASP2001   7.952  11.265  -2.415
  872    HB2  ASP2001           HB2      ASP2001   7.658  13.142  -3.930
  873    HB3  ASP2001           HB1      ASP2001   7.425  12.050  -5.292
  874    H    SER2002           HN       SER2002   8.267   9.774  -5.540
  875    HA   SER2002           HA       SER2002   7.492   7.980  -6.518
  876    HB2  SER2002           HB2      SER2002   7.509   5.860  -5.160
  877    HB3  SER2002           HB1      SER2002   8.988   6.813  -5.139
  878    HG   SER2002           HG       SER2002   7.524   7.666  -3.146
  879    H    GLN2003           HN       GLN2003   5.714   7.379  -7.434
  880    HA   GLN2003           HA       GLN2003   3.277   7.886  -5.967
  881    HB2  GLN2003           HB2      GLN2003   2.146   7.858  -8.125
  882    HB3  GLN2003           HB1      GLN2003   3.483   8.992  -8.119
  883    HG2  GLN2003           HG2      GLN2003   4.847   7.378  -9.357
  884    HG3  GLN2003           HG1      GLN2003   3.488   6.252  -9.372
  885   HE21  GLN2003          HE21      GLN2003   1.649   6.805 -10.562
  886   HE22  GLN2003          HE22      GLN2003   1.702   7.920 -11.875
  887    HA   PRO2004           HA       PRO2004   2.426   3.530  -5.591
  888    HB2  PRO2004           HB2      PRO2004  -0.047   3.809  -4.521
  889    HB3  PRO2004           HB1      PRO2004   1.408   4.125  -3.566
  890    HG2  PRO2004           HG2      PRO2004  -0.372   6.053  -5.004
  891    HG3  PRO2004           HG1      PRO2004   0.254   6.212  -3.361
  892    HD2  PRO2004           HD2      PRO2004   1.369   7.481  -5.452
  893    HD3  PRO2004           HD1      PRO2004   2.352   6.859  -4.114
  894    H    VAL2005           HN       VAL2005   1.996   2.591  -7.488
  895    HA   VAL2005           HA       VAL2005  -0.022   3.704  -9.235
  896    HB   VAL2005           HB       VAL2005   2.010   1.494  -9.699
  897   HG11  VAL2005          HG11      VAL2005   1.423   1.683 -12.067
  898   HG12  VAL2005          HG12      VAL2005   0.163   2.851 -11.668
  899   HG13  VAL2005          HG13      VAL2005   0.035   1.188 -11.099
  900   HG21  VAL2005          HG21      VAL2005   1.970   4.361 -10.643
  901   HG22  VAL2005          HG22      VAL2005   3.160   3.144 -11.104
  902   HG23  VAL2005          HG23      VAL2005   3.049   3.680  -9.427
  903    H    PHE2006           HN       PHE2006  -1.970   2.957  -9.083
  904    HA   PHE2006           HA       PHE2006  -2.459   0.386  -7.874
  905    HB2  PHE2006           HB2      PHE2006  -4.854   0.960  -8.098
  906    HB3  PHE2006           HB1      PHE2006  -3.986   2.250  -7.286
  907    HD1  PHE2006           HD2      PHE2006  -3.409   4.324  -8.628
  908    HD2  PHE2006           HD1      PHE2006  -6.094   1.348 -10.057
  909    HE1  PHE2006           HE2      PHE2006  -4.330   5.933 -10.245
  910    HE2  PHE2006           HE1      PHE2006  -7.017   2.952 -11.675
  911    HZ   PHE2006           HZ       PHE2006  -6.142   5.223 -11.790
  912    H    LEU2007           HN       LEU2007  -2.852  -1.411  -8.980
  913    HA   LEU2007           HA       LEU2007  -2.573  -1.268 -11.851
  914    HB2  LEU2007           HB2      LEU2007  -2.781  -3.589  -9.918
  915    HB3  LEU2007           HB1      LEU2007  -2.820  -3.818 -11.649
  916    HG   LEU2007           HG       LEU2007  -0.515  -2.927 -11.814
  917   HD11  LEU2007          HD11      LEU2007   0.828  -2.610  -9.815
  918   HD12  LEU2007          HD12      LEU2007  -0.600  -2.852  -8.807
  919   HD13  LEU2007          HD13      LEU2007  -0.504  -1.455  -9.878
  920   HD21  LEU2007          HD21      LEU2007  -0.871  -5.314 -11.589
  921   HD22  LEU2007          HD22      LEU2007  -0.840  -5.164  -9.832
  922   HD23  LEU2007          HD23      LEU2007   0.611  -4.818 -10.771
  923    H    SER2008           HN       SER2008  -4.821  -2.966  -9.699
  924    HA   SER2008           HA       SER2008  -7.032  -1.638 -10.784
  925    HB2  SER2008           HB2      SER2008  -8.121  -3.745 -11.705
  926    HB3  SER2008           HB1      SER2008  -6.815  -3.080 -12.682
  927    HG   SER2008           HG       SER2008  -5.500  -4.668 -12.080
  928    H    PHE2009           HN       PHE2009  -8.802  -1.901  -9.562
  929    HA   PHE2009           HA       PHE2009  -8.484  -3.519  -7.154
  930    HB2  PHE2009           HB2      PHE2009  -8.995  -1.218  -6.610
  931    HB3  PHE2009           HB1      PHE2009 -10.273  -1.153  -7.814
  932    HD1  PHE2009           HD1      PHE2009  -9.709  -3.839  -5.334
  933    HD2  PHE2009           HD2      PHE2009 -12.119  -0.505  -6.432
  934    HE1  PHE2009           HE1      PHE2009 -11.298  -4.416  -3.572
  935    HE2  PHE2009           HE2      PHE2009 -13.716  -1.063  -4.654
  936    HZ   PHE2009           HZ       PHE2009 -13.441  -3.035  -3.338
  937    H    ASP2010           HN       ASP2010  -9.449  -5.418  -7.194
  938    HA   ASP2010           HA       ASP2010 -11.748  -5.687  -8.980
  939    HB2  ASP2010           HB2      ASP2010  -9.731  -6.836  -9.798
  940    HB3  ASP2010           HB1      ASP2010  -9.695  -7.785  -8.315
  941    H    GLU2011           HN       GLU2011 -13.509  -5.885  -7.819
  942    HA   GLU2011           HA       GLU2011 -13.348  -7.121  -5.192
  943    HB2  GLU2011           HB2      GLU2011 -15.697  -6.375  -4.912
  944    HB3  GLU2011           HB1      GLU2011 -14.602  -5.054  -5.294
  945    HG2  GLU2011           HG2      GLU2011 -15.357  -5.093  -7.606
  946    HG3  GLU2011           HG1      GLU2011 -16.435  -6.436  -7.234
  947    H    GLN2012           HN       GLN2012 -13.610  -8.230  -8.197
  948    HA   GLN2012           HA       GLN2012 -15.780 -10.122  -7.998
  949    HB2  GLN2012           HB2      GLN2012 -15.033  -9.246 -10.177
  950    HB3  GLN2012           HB1      GLN2012 -13.424  -9.877  -9.889
  951    HG2  GLN2012           HG2      GLN2012 -14.419 -12.170  -9.906
  952    HG3  GLN2012           HG1      GLN2012 -15.945 -11.432 -10.397
  953   HE21  GLN2012          HE21      GLN2012 -14.206 -13.300 -11.790
  954   HE22  GLN2012          HE22      GLN2012 -13.732 -12.548 -13.289
  955    H    THR2013           HN       THR2013 -12.290 -10.205  -7.621
  956    HA   THR2013           HA       THR2013 -12.670 -12.781  -6.273
  957    HB   THR2013           HB       THR2013 -10.982 -12.650  -8.168
  958    HG1  THR2013           HG1      THR2013 -10.735 -14.274  -6.788
  959   HG21  THR2013          HG21      THR2013 -10.065 -10.420  -7.711
  960   HG22  THR2013          HG22      THR2013  -8.788 -11.637  -7.703
  961   HG23  THR2013          HG23      THR2013  -9.406 -10.997  -6.179
  962    H    CYS2014           HN       CYS2014 -12.466  -9.561  -5.666
  963    HA   CYS2014           HA       CYS2014 -12.100  -8.220  -3.955
  964    HB2  CYS2014           HB2      CYS2014 -12.274 -10.751  -2.277
  965    HB3  CYS2014           HB1      CYS2014 -12.307  -9.116  -1.624
  966    H    THR2015           HN       THR2015 -10.112  -8.055  -5.133
  967    HA   THR2015           HA       THR2015  -7.857  -8.186  -3.345
  968    HB   THR2015           HB       THR2015  -7.883  -9.537  -6.057
  969    HG1  THR2015           HG1      THR2015  -8.414 -10.420  -3.677
  970   HG21  THR2015          HG21      THR2015  -5.571  -9.114  -4.145
  971   HG22  THR2015          HG22      THR2015  -5.773  -8.322  -5.708
  972   HG23  THR2015          HG23      THR2015  -5.508 -10.064  -5.631
  973    H    SER2016           HN       SER2016  -7.072  -6.152  -3.488
  974    HA   SER2016           HA       SER2016  -7.311  -4.821  -6.060
  975    HB2  SER2016           HB2      SER2016  -8.247  -3.724  -3.953
  976    HB3  SER2016           HB1      SER2016  -6.578  -3.575  -3.403
  977    HG   SER2016           HG       SER2016  -6.201  -2.080  -4.857
  978    H    TYR2017           HN       TYR2017  -5.521  -4.453  -7.191
  979    HA   TYR2017           HA       TYR2017  -2.996  -5.459  -6.094
  980    HB2  TYR2017           HB2      TYR2017  -3.727  -4.794  -8.956
  981    HB3  TYR2017           HB1      TYR2017  -2.256  -5.581  -8.411
  982    HD1  TYR2017           HD1      TYR2017  -5.830  -6.001  -9.071
  983    HD2  TYR2017           HD2      TYR2017  -2.272  -7.932  -7.771
  984    HE1  TYR2017           HE1      TYR2017  -6.910  -8.180  -9.383
  985    HE2  TYR2017           HE2      TYR2017  -3.348 -10.124  -8.077
  986    HH   TYR2017           HH       TYR2017  -6.391 -10.399  -9.700
  987    H    PHE2018           HN       PHE2018  -1.571  -3.974  -5.400
  988    HA   PHE2018           HA       PHE2018  -1.512  -1.377  -6.778
  989    HB2  PHE2018           HB2      PHE2018  -1.070  -1.865  -3.827
  990    HB3  PHE2018           HB1      PHE2018  -0.835  -0.335  -4.646
  991    HD1  PHE2018           HD2      PHE2018  -3.028   0.386  -6.051
  992    HD2  PHE2018           HD1      PHE2018  -2.968  -2.090  -2.595
  993    HE1  PHE2018           HE2      PHE2018  -5.383   0.936  -5.622
  994    HE2  PHE2018           HE1      PHE2018  -5.324  -1.544  -2.156
  995    HZ   PHE2018           HZ       PHE2018  -6.476   0.098  -3.543
  996    H    SER2019           HN       SER2019   0.584  -0.425  -6.921
  997    HA   SER2019           HA       SER2019   2.840  -2.033  -6.046
  998    HB2  SER2019           HB2      SER2019   2.232  -2.735  -8.362
  999    HB3  SER2019           HB1      SER2019   2.441  -1.067  -8.881
 1000    HG   SER2019           HG       SER2019   4.193  -2.959  -8.705
 1001    H    TRP2020           HN       TRP2020   4.078  -0.624  -5.002
 1002    HA   TRP2020           HA       TRP2020   3.871   2.200  -5.720
 1003    HB2  TRP2020           HB2      TRP2020   3.639   1.242  -3.280
 1004    HB3  TRP2020           HB1      TRP2020   5.394   1.165  -3.343
 1005    HD1  TRP2020           HD1      TRP2020   5.988   3.963  -4.736
 1006    HE1  TRP2020           HE1      TRP2020   5.498   6.154  -3.450
 1007    HE3  TRP2020           HE3      TRP2020   2.659   2.207  -1.276
 1008    HZ2  TRP2020           HZ2      TRP2020   3.956   7.014  -1.298
 1009    HZ3  TRP2020           HZ3      TRP2020   1.733   3.782   0.368
 1010    HH2  TRP2020           HH2      TRP2020   2.368   6.137   0.356
 1011    H    HIS2021           HN       HIS2021   5.200   2.554  -7.269
 1012    HA   HIS2021           HA       HIS2021   7.753   1.245  -7.446
 1013    HB2  HIS2021           HB2      HIS2021   6.440   3.391  -9.157
 1014    HB3  HIS2021           HB1      HIS2021   8.019   2.705  -9.494
 1015    HD1  HIS2021           HD1      HIS2021   7.972   0.791 -11.200
 1016    HD2  HIS2021           HD2      HIS2021   4.316   1.234  -9.220
 1017    HE1  HIS2021           HE1      HIS2021   6.422  -0.796 -12.280
 1018    HE2  HIS2021           HE2      HIS2021   4.357  -0.750 -10.910
 1019    H    THR2022           HN       THR2022   9.009   1.903  -5.837
 1020    HA   THR2022           HA       THR2022   9.321   4.770  -5.399
 1021    HB   THR2022           HB       THR2022   7.768   4.026  -3.707
 1022    HG1  THR2022           HG1      THR2022   8.897   5.449  -2.748
 1023   HG21  THR2022          HG21      THR2022   8.358   2.321  -2.029
 1024   HG22  THR2022          HG22      THR2022   9.857   2.000  -2.900
 1025   HG23  THR2022          HG23      THR2022   8.305   1.641  -3.654
 1026    H    SER2023           HN       SER2023  11.297   5.410  -4.481
 1027    HA   SER2023           HA       SER2023  13.535   3.816  -5.285
 1028    HB2  SER2023           HB2      SER2023  13.410   6.325  -5.434
 1029    HB3  SER2023           HB1      SER2023  13.437   6.353  -3.672
 1030    HG   SER2023           HG       SER2023  15.444   6.123  -5.456
 1031    H    LEU2024           HN       LEU2024  11.685   4.248  -2.376
 1032    HA   LEU2024           HA       LEU2024  13.750   3.496  -0.542
 1033    HB2  LEU2024           HB2      LEU2024  10.739   3.582  -0.179
 1034    HB3  LEU2024           HB1      LEU2024  11.855   3.176   1.103
 1035    HG   LEU2024           HG       LEU2024  11.209   5.416   1.477
 1036   HD11  LEU2024          HD11      LEU2024  13.527   5.046   1.854
 1037   HD12  LEU2024          HD12      LEU2024  13.252   6.690   1.277
 1038   HD13  LEU2024          HD13      LEU2024  13.902   5.467   0.184
 1039   HD21  LEU2024          HD21      LEU2024  11.886   6.032  -1.402
 1040   HD22  LEU2024          HD22      LEU2024  11.365   7.207  -0.190
 1041   HD23  LEU2024          HD23      LEU2024  10.266   5.930  -0.716
 1042    H    ALA2025           HN       ALA2025  12.037   1.827  -2.773
 1043    HA   ALA2025           HA       ALA2025  11.909  -0.695  -1.338
 1044    HB1  ALA2025           HB1      ALA2025  10.819  -1.524  -3.360
 1045    HB2  ALA2025           HB2      ALA2025  11.140   0.030  -4.147
 1046    HB3  ALA2025           HB3      ALA2025  10.055  -0.046  -2.765
 1047    H    CYS2026           HN       CYS2026  14.418   0.904  -2.661
 1048    HA   CYS2026           HA       CYS2026  15.700  -1.630  -3.314
 1049    HB2  CYS2026           HB2      CYS2026  16.687  -0.729  -5.347
 1050    HB3  CYS2026           HB1      CYS2026  14.934  -0.819  -5.451
 1051    H    GLU2027           HN       GLU2027  17.954  -1.511  -3.376
 1052    HA   GLU2027           HA       GLU2027  19.176   0.713  -1.911
 1053    HB2  GLU2027           HB2      GLU2027  19.661  -1.801  -1.432
 1054    HB3  GLU2027           HB1      GLU2027  20.449  -1.844  -2.985
 1055    HG2  GLU2027           HG2      GLU2027  22.063  -1.592  -1.173
 1056    HG3  GLU2027           HG1      GLU2027  22.076  -0.189  -2.245
 1057    H    GLU2028           HN       GLU2028  19.501  -1.328  -4.740
 1058    HA   GLU2028           HA       GLU2028  19.174   0.766  -6.537
 1059    HB2  GLU2028           HB2      GLU2028  21.650   0.936  -6.329
 1060    HB3  GLU2028           HB1      GLU2028  21.796  -0.800  -6.603
 1061    HG2  GLU2028           HG2      GLU2028  21.071  -0.616  -8.844
 1062    HG3  GLU2028           HG1      GLU2028  20.504   1.029  -8.604
 1063    H    GLU2029           HN       GLU2029  18.147  -0.050  -8.248
 1064    HA   GLU2029           HA       GLU2029  18.033  -2.907  -8.761
 1065    HB2  GLU2029           HB2      GLU2029  16.389  -2.524  -6.911
 1066    HB3  GLU2029           HB1      GLU2029  15.619  -1.289  -7.885
 1067    HG2  GLU2029           HG2      GLU2029  14.920  -2.943  -9.491
 1068    HG3  GLU2029           HG1      GLU2029  15.801  -4.197  -8.622
 1069    H    VAL2030           HN       VAL2030  16.954  -3.287 -10.706
 1070    HA   VAL2030           HA       VAL2030  17.288  -1.027 -12.569
 1071    HB   VAL2030           HB       VAL2030  16.732  -3.920 -13.248
 1072   HG11  VAL2030          HG11      VAL2030  16.245  -2.365 -15.049
 1073   HG12  VAL2030          HG12      VAL2030  17.674  -3.327 -15.434
 1074   HG13  VAL2030          HG13      VAL2030  17.853  -1.657 -14.898
 1075   HG21  VAL2030          HG21      VAL2030  19.143  -4.151 -13.645
 1076   HG22  VAL2030          HG22      VAL2030  18.782  -3.797 -11.955
 1077   HG23  VAL2030          HG23      VAL2030  19.395  -2.524 -13.010
 1078    HA   PRO2031           HA       PRO2031  12.864  -0.584 -12.640
 1079    HB2  PRO2031           HB2      PRO2031  13.274   2.032 -13.716
 1080    HB3  PRO2031           HB1      PRO2031  12.820   1.620 -12.063
 1081    HG2  PRO2031           HG2      PRO2031  15.244   2.741 -12.859
 1082    HG3  PRO2031           HG1      PRO2031  14.923   1.959 -11.301
 1083    HD2  PRO2031           HD2      PRO2031  16.307   0.828 -13.720
 1084    HD3  PRO2031           HD1      PRO2031  16.571   0.524 -11.991
 1085    H    ARG2032           HN       ARG2032  11.930  -1.459 -14.270
 1086    HA   ARG2032           HA       ARG2032  12.778  -0.788 -17.001
 1087    HB2  ARG2032           HB2      ARG2032  11.656  -3.398 -15.972
 1088    HB3  ARG2032           HB1      ARG2032  11.989  -3.038 -17.658
 1089    HG2  ARG2032           HG2      ARG2032  14.110  -3.034 -15.517
 1090    HG3  ARG2032           HG1      ARG2032  13.690  -4.458 -16.460
 1091    HD2  ARG2032           HD2      ARG2032  15.614  -3.479 -17.463
 1092    HD3  ARG2032           HD1      ARG2032  14.256  -3.164 -18.522
 1093    HE   ARG2032           HE       ARG2032  14.565  -0.930 -16.872
 1094   HH11  ARG2032          HH11      ARG2032  16.441  -2.631 -19.393
 1095   HH12  ARG2032          HH12      ARG2032  17.210  -1.206 -19.938
 1096   HH21  ARG2032          HH21      ARG2032  15.735   1.013 -17.663
 1097   HH22  ARG2032          HH22      ARG2032  16.815   0.817 -18.972
  Start of MODEL    4
    1    H1   MET1885           HT1      MET1885   9.820  11.990   0.951
    2    H2   MET1885           HT2      MET1885  10.157  13.541   1.523
    3    H3   MET1885           HT3      MET1885   8.576  13.124   1.065
    4    HA   MET1885           HA       MET1885   8.906  13.153   3.487
    5    HB2  MET1885           HB2      MET1885   7.277  11.602   2.254
    6    HB3  MET1885           HB1      MET1885   8.498  10.347   2.411
    7    HG2  MET1885           HG2      MET1885   6.882  10.058   4.134
    8    HG3  MET1885           HG1      MET1885   8.383  10.626   4.868
    9    HE1  MET1885           HE1      MET1885   5.709  12.314   7.145
   10    HE2  MET1885           HE2      MET1885   7.155  11.307   7.088
   11    HE3  MET1885           HE3      MET1885   5.636  10.708   6.424
   12    H    LYS1886           HN       LYS1886  10.389  12.715   5.126
   13    HA   LYS1886           HA       LYS1886  12.538  10.902   4.350
   14    HB2  LYS1886           HB2      LYS1886  14.169  12.311   5.572
   15    HB3  LYS1886           HB1      LYS1886  13.471  13.097   4.166
   16    HG2  LYS1886           HG2      LYS1886  12.210  14.573   5.469
   17    HG3  LYS1886           HG1      LYS1886  12.362  13.570   6.913
   18    HD2  LYS1886           HD2      LYS1886  14.599  15.093   5.574
   19    HD3  LYS1886           HD1      LYS1886  13.769  15.563   7.061
   20    HE2  LYS1886           HE2      LYS1886  15.429  13.075   6.636
   21    HE3  LYS1886           HE1      LYS1886  15.893  14.488   7.577
   22    HZ1  LYS1886           HZ1      LYS1886  13.992  14.021   9.060
   23    HZ2  LYS1886           HZ2      LYS1886  15.151  12.803   9.053
   24    HZ3  LYS1886           HZ3      LYS1886  13.699  12.567   8.236
   25    H    SER1887           HN       SER1887  10.991   9.536   5.466
   26    HA   SER1887           HA       SER1887  10.703   7.986   7.029
   27    HB2  SER1887           HB2      SER1887  13.142   7.988   7.238
   28    HB3  SER1887           HB1      SER1887  13.046   9.221   8.500
   29    HG   SER1887           HG       SER1887  12.826   6.564   8.676
   30    H    ASN1888           HN       ASN1888   9.100   7.791   8.267
   31    HA   ASN1888           HA       ASN1888   8.524   9.792  10.337
   32    HB2  ASN1888           HB2      ASN1888   7.050   9.971   8.312
   33    HB3  ASN1888           HB1      ASN1888   6.648   8.277   8.606
   34   HD21  ASN1888          HD21      ASN1888   4.518   8.843   8.751
   35   HD22  ASN1888          HD22      ASN1888   3.801   9.593  10.132
   36    H    VAL1889           HN       VAL1889   8.961   8.735  12.072
   37    HA   VAL1889           HA       VAL1889   8.367   5.915  12.093
   38    HB   VAL1889           HB       VAL1889  10.658   6.346  12.771
   39   HG11  VAL1889          HG11      VAL1889  10.507   8.574  13.640
   40   HG12  VAL1889          HG12      VAL1889  11.268   7.515  14.833
   41   HG13  VAL1889          HG13      VAL1889   9.586   8.005  15.031
   42   HG21  VAL1889          HG21      VAL1889   9.002   5.407  15.111
   43   HG22  VAL1889          HG22      VAL1889  10.737   5.144  14.926
   44   HG23  VAL1889          HG23      VAL1889   9.609   4.418  13.783
   45    H    GLN1890           HN       GLN1890   6.241   6.329  12.055
   46    HA   GLN1890           HA       GLN1890   5.042   7.084  14.631
   47    HB2  GLN1890           HB2      GLN1890   3.049   7.511  13.451
   48    HB3  GLN1890           HB1      GLN1890   4.286   7.989  12.299
   49    HG2  GLN1890           HG2      GLN1890   3.003   6.745  10.836
   50    HG3  GLN1890           HG1      GLN1890   3.929   5.456  11.587
   51   HE21  GLN1890          HE21      GLN1890   2.200   3.973  11.149
   52   HE22  GLN1890          HE22      GLN1890   0.789   3.995  12.145
   53    H    ASN1891           HN       ASN1891   6.178   4.582  12.920
   54    HA   ASN1891           HA       ASN1891   5.320   2.450  14.490
   55    HB2  ASN1891           HB2      ASN1891   3.180   2.538  13.416
   56    HB3  ASN1891           HB1      ASN1891   3.891   2.933  11.859
   57   HD21  ASN1891          HD21      ASN1891   3.476   0.430  14.233
   58   HD22  ASN1891          HD22      ASN1891   3.757  -0.895  13.162
   59    H    ASP1892           HN       ASP1892   6.281   0.397  13.477
   60    HA   ASP1892           HA       ASP1892   8.811   1.153  12.293
   61    HB2  ASP1892           HB2      ASP1892   8.857  -0.344  14.208
   62    HB3  ASP1892           HB1      ASP1892   7.867  -1.520  13.362
   63    H    CYS1893           HN       CYS1893   7.155  -1.897  11.535
   64    HA   CYS1893           HA       CYS1893   6.880  -3.002   9.586
   65    HB2  CYS1893           HB2      CYS1893   4.972  -1.430   9.501
   66    HB3  CYS1893           HB1      CYS1893   5.959  -0.282   8.619
   67    H    ARG1894           HN       ARG1894   9.187  -3.340   9.393
   68    HA   ARG1894           HA       ARG1894  10.095  -2.628   6.804
   69    HB2  ARG1894           HB2      ARG1894  12.282  -1.640   7.541
   70    HB3  ARG1894           HB1      ARG1894  10.894  -0.611   7.851
   71    HG2  ARG1894           HG2      ARG1894  10.917  -1.304  10.190
   72    HG3  ARG1894           HG1      ARG1894  12.318  -2.325   9.863
   73    HD2  ARG1894           HD2      ARG1894  13.612  -0.358   9.231
   74    HD3  ARG1894           HD1      ARG1894  12.205   0.669   9.518
   75    HE   ARG1894           HE       ARG1894  12.355  -0.447  11.842
   76   HH11  ARG1894          HH11      ARG1894  15.042   0.918   9.896
   77   HH12  ARG1894          HH12      ARG1894  16.050   1.177  11.213
   78   HH21  ARG1894          HH21      ARG1894  13.812  -0.113  13.655
   79   HH22  ARG1894          HH22      ARG1894  15.373   0.554  13.399
   80    H    VAL1895           HN       VAL1895  11.772  -3.967   6.071
   81    HA   VAL1895           HA       VAL1895  12.669  -6.058   7.874
   82    HB   VAL1895           HB       VAL1895  10.541  -6.969   7.082
   83   HG11  VAL1895          HG11      VAL1895  11.585  -6.582   4.299
   84   HG12  VAL1895          HG12      VAL1895  10.265  -5.686   5.052
   85   HG13  VAL1895          HG13      VAL1895  10.088  -7.413   4.720
   86   HG21  VAL1895          HG21      VAL1895  12.337  -8.591   7.365
   87   HG22  VAL1895          HG22      VAL1895  12.858  -8.318   5.700
   88   HG23  VAL1895          HG23      VAL1895  11.294  -9.061   6.018
   89    H    THR1896           HN       THR1896  14.662  -6.829   7.345
   90    HA   THR1896           HA       THR1896  15.989  -5.582   5.083
   91    HB   THR1896           HB       THR1896  17.193  -7.514   7.083
   92    HG1  THR1896           HG1      THR1896  16.313  -5.932   8.322
   93   HG21  THR1896          HG21      THR1896  18.569  -6.944   5.126
   94   HG22  THR1896          HG22      THR1896  19.255  -6.254   6.600
   95   HG23  THR1896          HG23      THR1896  18.364  -5.227   5.481
   96    H    ASN1897           HN       ASN1897  16.484  -6.680   3.211
   97    HA   ASN1897           HA       ASN1897  15.973  -9.568   3.204
   98    HB2  ASN1897           HB2      ASN1897  14.720  -8.353   1.484
   99    HB3  ASN1897           HB1      ASN1897  16.212  -7.650   0.872
  100   HD21  ASN1897          HD21      ASN1897  15.892  -8.553  -1.200
  101   HD22  ASN1897          HD22      ASN1897  16.082 -10.224  -1.492
  102    HA   PRO1898           HA       PRO1898  20.443  -9.758   3.555
  103    HB2  PRO1898           HB2      PRO1898  20.514 -12.517   3.454
  104    HB3  PRO1898           HB1      PRO1898  20.243 -11.576   4.925
  105    HG2  PRO1898           HG2      PRO1898  18.253 -12.902   3.126
  106    HG3  PRO1898           HG1      PRO1898  18.296 -12.845   4.899
  107    HD2  PRO1898           HD2      PRO1898  16.651 -11.271   3.510
  108    HD3  PRO1898           HD1      PRO1898  17.472 -10.674   4.969
  109    H    ALA1899           HN       ALA1899  18.459 -11.341   1.148
  110    HA   ALA1899           HA       ALA1899  20.440 -12.331  -0.570
  111    HB1  ALA1899           HB1      ALA1899  17.689 -11.333  -1.287
  112    HB2  ALA1899           HB2      ALA1899  18.082 -12.956  -0.720
  113    HB3  ALA1899           HB3      ALA1899  18.703 -12.390  -2.270
  114    H    THR1900           HN       THR1900  18.867  -9.201  -0.456
  115    HA   THR1900           HA       THR1900  20.494  -8.237  -2.679
  116    HB   THR1900           HB       THR1900  18.410  -6.714  -1.118
  117    HG1  THR1900           HG1      THR1900  18.128  -8.525  -3.308
  118   HG21  THR1900          HG21      THR1900  19.854  -5.442  -2.635
  119   HG22  THR1900          HG22      THR1900  18.193  -5.498  -3.227
  120   HG23  THR1900          HG23      THR1900  19.424  -6.532  -3.952
  121    H    GLY1901           HN       GLY1901  20.200  -8.083   0.782
  122    HA2  GLY1901           HA2      GLY1901  21.582  -7.145   2.357
  123    HA3  GLY1901           HA1      GLY1901  22.578  -6.486   1.055
  124    H    HIS1902           HN       HIS1902  19.243  -5.985   0.839
  125    HA   HIS1902           HA       HIS1902  19.617  -3.161   1.527
  126    HB2  HIS1902           HB2      HIS1902  19.182  -3.557  -0.893
  127    HB3  HIS1902           HB1      HIS1902  17.663  -4.331  -0.476
  128    HD1  HIS1902           HD1      HIS1902  19.297  -0.957  -0.777
  129    HD2  HIS1902           HD2      HIS1902  15.553  -2.541   0.127
  130    HE1  HIS1902           HE1      HIS1902  17.699   0.981  -0.828
  131    HE2  HIS1902           HE2      HIS1902  15.427  -0.021  -0.401
  132    H    LEU1903           HN       LEU1903  18.678  -2.594   3.252
  133    HA   LEU1903           HA       LEU1903  16.573  -3.979   4.551
  134    HB2  LEU1903           HB2      LEU1903  18.079  -2.669   5.874
  135    HB3  LEU1903           HB1      LEU1903  17.805  -1.246   4.899
  136    HG   LEU1903           HG       LEU1903  15.512  -1.075   5.809
  137   HD11  LEU1903          HD11      LEU1903  15.081  -3.398   6.313
  138   HD12  LEU1903          HD12      LEU1903  14.852  -2.395   7.747
  139   HD13  LEU1903          HD13      LEU1903  16.309  -3.373   7.577
  140   HD21  LEU1903          HD21      LEU1903  16.151  -0.361   8.061
  141   HD22  LEU1903          HD22      LEU1903  17.314   0.168   6.845
  142   HD23  LEU1903          HD23      LEU1903  17.688  -1.209   7.885
  143    H    PHE1904           HN       PHE1904  14.423  -3.827   4.119
  144    HA   PHE1904           HA       PHE1904  13.629  -1.779   2.234
  145    HB2  PHE1904           HB2      PHE1904  12.085  -4.107   3.417
  146    HB3  PHE1904           HB1      PHE1904  11.457  -2.986   2.226
  147    HD1  PHE1904           HD2      PHE1904  13.426  -2.796   0.196
  148    HD2  PHE1904           HD1      PHE1904  12.382  -6.184   2.526
  149    HE1  PHE1904           HE2      PHE1904  14.203  -4.273  -1.607
  150    HE2  PHE1904           HE1      PHE1904  13.145  -7.661   0.734
  151    HZ   PHE1904           HZ       PHE1904  14.056  -6.712  -1.345
  152    H    ASP1905           HN       ASP1905  13.407  -0.005   3.206
  153    HA   ASP1905           HA       ASP1905  12.115   0.167   5.827
  154    HB2  ASP1905           HB2      ASP1905  14.376   1.019   5.862
  155    HB3  ASP1905           HB1      ASP1905  14.079   1.991   4.429
  156    H    LEU1906           HN       LEU1906  10.028   0.552   5.458
  157    HA   LEU1906           HA       LEU1906   9.473   2.633   3.514
  158    HB2  LEU1906           HB2      LEU1906   7.656   0.454   4.516
  159    HB3  LEU1906           HB1      LEU1906   7.111   1.799   3.522
  160    HG   LEU1906           HG       LEU1906   9.128  -0.299   2.718
  161   HD11  LEU1906          HD11      LEU1906   7.473  -0.915   1.071
  162   HD12  LEU1906          HD12      LEU1906   6.354   0.267   1.747
  163   HD13  LEU1906          HD13      LEU1906   6.861  -1.126   2.714
  164   HD21  LEU1906          HD21      LEU1906   9.712   1.860   1.750
  165   HD22  LEU1906          HD22      LEU1906   8.062   2.052   1.158
  166   HD23  LEU1906          HD23      LEU1906   9.083   0.769   0.512
  167    H    THR1907           HN       THR1907  10.045   2.400   6.710
  168    HA   THR1907           HA       THR1907   8.270   3.914   7.955
  169    HB   THR1907           HB       THR1907  11.108   4.442   8.431
  170    HG1  THR1907           HG1      THR1907  11.776   2.442   8.076
  171   HG21  THR1907          HG21      THR1907   9.244   4.587  10.074
  172   HG22  THR1907          HG22      THR1907  10.484   3.384  10.542
  173   HG23  THR1907          HG23      THR1907   8.989   2.870   9.725
  174    H    SER1908           HN       SER1908  10.783   4.707   5.597
  175    HA   SER1908           HA       SER1908  10.601   7.519   5.927
  176    HB2  SER1908           HB2      SER1908  11.808   5.893   3.692
  177    HB3  SER1908           HB1      SER1908  12.046   7.624   3.950
  178    HG   SER1908           HG       SER1908  12.858   5.446   5.548
  179    H    LEU1909           HN       LEU1909   8.507   5.362   4.442
  180    HA   LEU1909           HA       LEU1909   7.675   7.328   2.402
  181    HB2  LEU1909           HB2      LEU1909   8.368   4.910   1.804
  182    HB3  LEU1909           HB1      LEU1909   6.848   4.485   2.588
  183    HG   LEU1909           HG       LEU1909   5.578   5.706   0.935
  184   HD11  LEU1909          HD11      LEU1909   8.252   6.342  -0.325
  185   HD12  LEU1909          HD12      LEU1909   7.185   7.495   0.477
  186   HD13  LEU1909          HD13      LEU1909   6.669   6.708  -1.015
  187   HD21  LEU1909          HD21      LEU1909   7.630   3.878  -0.311
  188   HD22  LEU1909          HD22      LEU1909   6.072   4.310  -1.013
  189   HD23  LEU1909          HD23      LEU1909   6.136   3.372   0.480
  190    H    LYS1910           HN       LYS1910   6.809   5.956   5.359
  191    HA   LYS1910           HA       LYS1910   3.947   6.050   4.930
  192    HB2  LYS1910           HB2      LYS1910   3.684   5.315   7.203
  193    HB3  LYS1910           HB1      LYS1910   4.942   4.334   6.493
  194    HG2  LYS1910           HG2      LYS1910   6.628   5.746   7.570
  195    HG3  LYS1910           HG1      LYS1910   5.333   6.664   8.335
  196    HD2  LYS1910           HD2      LYS1910   6.200   5.062   9.854
  197    HD3  LYS1910           HD1      LYS1910   4.551   4.597   9.425
  198    HE2  LYS1910           HE2      LYS1910   5.462   3.010   7.752
  199    HE3  LYS1910           HE1      LYS1910   7.094   3.437   8.262
  200    HZ1  LYS1910           HZ1      LYS1910   5.029   2.010   9.873
  201    HZ2  LYS1910           HZ2      LYS1910   6.470   2.666  10.482
  202    HZ3  LYS1910           HZ3      LYS1910   6.562   1.469   9.369
  203    H    ARG1911           HN       ARG1911   2.519   7.415   5.921
  204    HA   ARG1911           HA       ARG1911   3.314   9.393   7.744
  205    HB2  ARG1911           HB2      ARG1911   2.519  11.321   6.411
  206    HB3  ARG1911           HB1      ARG1911   3.894  10.562   5.641
  207    HG2  ARG1911           HG2      ARG1911   2.309   9.429   4.090
  208    HG3  ARG1911           HG1      ARG1911   1.005  10.379   4.817
  209    HD2  ARG1911           HD2      ARG1911   2.281  12.442   4.254
  210    HD3  ARG1911           HD1      ARG1911   3.451  11.417   3.418
  211    HE   ARG1911           HE       ARG1911   0.766  11.050   2.487
  212   HH11  ARG1911          HH11      ARG1911   3.689  13.015   2.106
  213   HH12  ARG1911          HH12      ARG1911   3.308  13.551   0.540
  214   HH21  ARG1911          HH21      ARG1911   0.165  11.886   0.364
  215   HH22  ARG1911          HH22      ARG1911   1.243  12.947  -0.422
  216    H    GLU1912           HN       GLU1912   1.210  10.456   8.485
  217    HA   GLU1912           HA       GLU1912  -0.627   8.309   8.865
  218    HB2  GLU1912           HB2      GLU1912  -1.074  11.218   9.577
  219    HB3  GLU1912           HB1      GLU1912  -1.965   9.846  10.203
  220    HG2  GLU1912           HG2      GLU1912  -0.519  10.505  11.924
  221    HG3  GLU1912           HG1      GLU1912   0.225   9.072  11.222
  222    H    SER1913           HN       SER1913  -0.667  11.309   7.062
  223    HA   SER1913           HA       SER1913  -3.262  11.426   6.197
  224    HB2  SER1913           HB2      SER1913  -0.816  12.213   4.650
  225    HB3  SER1913           HB1      SER1913  -2.422  12.947   4.587
  226    HG   SER1913           HG       SER1913  -1.603  14.218   6.006
  227    H    GLY1914           HN       GLY1914  -0.694   9.343   5.066
  228    HA2  GLY1914           HA2      GLY1914  -0.765   7.576   3.583
  229    HA3  GLY1914           HA1      GLY1914  -2.487   7.917   3.340
  230    H    TYR1915           HN       TYR1915  -1.970   7.462   1.066
  231    HA   TYR1915           HA       TYR1915  -1.153   9.930  -0.181
  232    HB2  TYR1915           HB2      TYR1915   0.727   8.133  -0.178
  233    HB3  TYR1915           HB1      TYR1915  -0.264   7.321  -1.391
  234    HD1  TYR1915           HD2      TYR1915  -0.813   8.500  -3.499
  235    HD2  TYR1915           HD1      TYR1915   2.040  10.024  -0.763
  236    HE1  TYR1915           HE2      TYR1915   0.137   9.895  -5.287
  237    HE2  TYR1915           HE1      TYR1915   3.007  11.419  -2.536
  238    HH   TYR1915           HH       TYR1915   3.134  11.557  -4.853
  239    H    THR1916           HN       THR1916  -2.524  10.495  -1.753
  240    HA   THR1916           HA       THR1916  -4.700   8.607  -2.530
  241    HB   THR1916           HB       THR1916  -5.535  10.549  -1.279
  242    HG1  THR1916           HG1      THR1916  -6.981  10.119  -2.742
  243   HG21  THR1916          HG21      THR1916  -5.200  12.837  -2.137
  244   HG22  THR1916          HG22      THR1916  -4.101  12.198  -3.361
  245   HG23  THR1916          HG23      THR1916  -3.678  12.082  -1.654
  246    H    ILE1917           HN       ILE1917  -5.240   8.069  -4.161
  247    HA   ILE1917           HA       ILE1917  -4.225   9.286  -6.560
  248    HB   ILE1917           HB       ILE1917  -4.028   7.061  -7.493
  249   HG12  ILE1917          HG12      ILE1917  -3.949   6.044  -4.656
  250   HG13  ILE1917          HG11      ILE1917  -5.229   5.754  -5.828
  251   HG21  ILE1917          HG21      ILE1917  -2.012   7.730  -5.352
  252   HG22  ILE1917          HG22      ILE1917  -1.999   8.263  -7.037
  253   HG23  ILE1917          HG23      ILE1917  -1.725   6.565  -6.646
  254   HD11  ILE1917          HD11      ILE1917  -2.384   4.792  -6.047
  255   HD12  ILE1917          HD12      ILE1917  -3.670   4.489  -7.216
  256   HD13  ILE1917          HD13      ILE1917  -3.782   3.818  -5.590
  257    H    THR1918           HN       THR1918  -5.579   8.250  -8.408
  258    HA   THR1918           HA       THR1918  -8.364   8.197  -7.500
  259    HB   THR1918           HB       THR1918  -7.329   8.135 -10.366
  260    HG1  THR1918           HG1      THR1918  -6.948  10.080  -8.654
  261   HG21  THR1918          HG21      THR1918  -9.713   7.594 -10.062
  262   HG22  THR1918          HG22      THR1918  -9.508   9.135 -10.893
  263   HG23  THR1918          HG23      THR1918  -9.942   9.107  -9.184
  264    H    ASP1919           HN       ASP1919  -9.784   6.413  -8.308
  265    HA   ASP1919           HA       ASP1919  -8.353   3.914  -8.607
  266    HB2  ASP1919           HB2      ASP1919 -10.377   2.868  -8.075
  267    HB3  ASP1919           HB1      ASP1919 -10.563   4.384  -7.199
  268    H    SER1920           HN       SER1920 -10.409   2.790 -10.559
  269    HA   SER1920           HA       SER1920  -9.147   3.411 -12.930
  270    HB2  SER1920           HB2      SER1920 -11.974   2.423 -12.532
  271    HB3  SER1920           HB1      SER1920 -11.022   2.281 -14.008
  272    HG   SER1920           HG       SER1920 -10.645   0.434 -13.120
  273    H    HIS1921           HN       HIS1921 -12.324   4.717 -11.746
  274    HA   HIS1921           HA       HIS1921 -11.958   7.313 -12.942
  275    HB2  HIS1921           HB2      HIS1921 -13.818   5.445 -14.441
  276    HB3  HIS1921           HB1      HIS1921 -13.961   7.183 -14.530
  277    HD1  HIS1921           HD1      HIS1921 -12.501   4.368 -16.155
  278    HD2  HIS1921           HD2      HIS1921 -11.453   8.359 -15.704
  279    HE1  HIS1921           HE1      HIS1921 -10.846   4.849 -17.984
  280    HE2  HIS1921           HE2      HIS1921 -10.044   7.155 -17.533
  281    H    ASN1922           HN       ASN1922 -13.323   5.637 -10.547
  282    HA   ASN1922           HA       ASN1922 -15.868   7.112 -10.751
  283    HB2  ASN1922           HB2      ASN1922 -15.504   4.308  -9.714
  284    HB3  ASN1922           HB1      ASN1922 -16.947   5.264  -9.430
  285   HD21  ASN1922          HD21      ASN1922 -15.180   3.346 -11.701
  286   HD22  ASN1922          HD22      ASN1922 -16.362   3.392 -12.942
  287    H    ARG1923           HN       ARG1923 -13.368   6.009  -8.620
  288    HA   ARG1923           HA       ARG1923 -14.458   7.694  -6.523
  289    HB2  ARG1923           HB2      ARG1923 -14.022   5.738  -4.908
  290    HB3  ARG1923           HB1      ARG1923 -15.457   5.645  -5.921
  291    HG2  ARG1923           HG2      ARG1923 -14.077   4.242  -7.517
  292    HG3  ARG1923           HG1      ARG1923 -12.859   4.170  -6.250
  293    HD2  ARG1923           HD2      ARG1923 -14.274   2.188  -6.251
  294    HD3  ARG1923           HD1      ARG1923 -14.454   3.105  -4.758
  295    HE   ARG1923           HE       ARG1923 -16.446   3.985  -6.456
  296   HH11  ARG1923          HH11      ARG1923 -15.591   0.787  -5.150
  297   HH12  ARG1923          HH12      ARG1923 -17.201   0.340  -4.846
  298   HH21  ARG1923          HH21      ARG1923 -18.592   3.347  -6.123
  299   HH22  ARG1923          HH22      ARG1923 -18.977   1.813  -5.484
  300    H    LYS1924           HN       LYS1924 -12.695   7.252  -4.539
  301    HA   LYS1924           HA       LYS1924 -10.127   7.810  -5.846
  302    HB2  LYS1924           HB2      LYS1924 -11.397   8.993  -3.398
  303    HB3  LYS1924           HB1      LYS1924  -9.669   9.121  -3.699
  304    HG2  LYS1924           HG2      LYS1924 -10.008  10.410  -5.649
  305    HG3  LYS1924           HG1      LYS1924 -11.735  10.046  -5.676
  306    HD2  LYS1924           HD2      LYS1924 -11.280  12.324  -4.873
  307    HD3  LYS1924           HD1      LYS1924 -12.066  11.329  -3.653
  308    HE2  LYS1924           HE2      LYS1924 -10.366  12.603  -2.578
  309    HE3  LYS1924           HE1      LYS1924  -9.828  10.932  -2.637
  310    HZ1  LYS1924           HZ1      LYS1924  -8.383  11.536  -4.535
  311    HZ2  LYS1924           HZ2      LYS1924  -8.068  12.417  -3.140
  312    HZ3  LYS1924           HZ3      LYS1924  -8.901  13.146  -4.402
  313    H    ILE1925           HN       ILE1925  -8.333   6.787  -5.158
  314    HA   ILE1925           HA       ILE1925  -8.771   4.760  -3.134
  315    HB   ILE1925           HB       ILE1925  -6.569   4.882  -5.228
  316   HG12  ILE1925          HG12      ILE1925  -8.981   3.081  -4.952
  317   HG13  ILE1925          HG11      ILE1925  -8.735   4.305  -6.184
  318   HG21  ILE1925          HG21      ILE1925  -5.947   2.639  -4.408
  319   HG22  ILE1925          HG22      ILE1925  -7.174   2.765  -3.147
  320   HG23  ILE1925          HG23      ILE1925  -5.789   3.855  -3.139
  321   HD11  ILE1925          HD11      ILE1925  -7.128   1.773  -5.840
  322   HD12  ILE1925          HD12      ILE1925  -6.795   3.005  -7.052
  323   HD13  ILE1925          HD13      ILE1925  -8.298   2.085  -7.120
  324    H    GLU1926           HN       GLU1926  -8.524   5.884  -1.508
  325    HA   GLU1926           HA       GLU1926  -6.115   7.495  -0.995
  326    HB2  GLU1926           HB2      GLU1926  -8.132   6.664   1.110
  327    HB3  GLU1926           HB1      GLU1926  -7.094   8.076   1.112
  328    HG2  GLU1926           HG2      GLU1926  -9.474   7.657  -0.698
  329    HG3  GLU1926           HG1      GLU1926  -9.474   8.610   0.776
  330    H    LEU1927           HN       LEU1927  -4.312   6.137  -0.778
  331    HA   LEU1927           HA       LEU1927  -4.726   3.781   0.919
  332    HB2  LEU1927           HB2      LEU1927  -2.861   2.667  -0.370
  333    HB3  LEU1927           HB1      LEU1927  -4.330   2.911  -1.274
  334    HG   LEU1927           HG       LEU1927  -3.212   4.916  -2.343
  335   HD11  LEU1927          HD11      LEU1927  -1.419   5.286  -0.738
  336   HD12  LEU1927          HD12      LEU1927  -0.778   4.987  -2.354
  337   HD13  LEU1927          HD13      LEU1927  -0.729   3.712  -1.138
  338   HD21  LEU1927          HD21      LEU1927  -2.016   2.189  -2.763
  339   HD22  LEU1927          HD22      LEU1927  -1.957   3.529  -3.910
  340   HD23  LEU1927          HD23      LEU1927  -3.505   2.803  -3.480
  341    H    ASN1928           HN       ASN1928  -2.560   2.935   1.900
  342    HA   ASN1928           HA       ASN1928  -0.586   4.991   2.405
  343    HB2  ASN1928           HB2      ASN1928  -2.551   5.189   4.154
  344    HB3  ASN1928           HB1      ASN1928  -1.868   3.702   4.804
  345   HD21  ASN1928          HD21      ASN1928  -2.038   6.220   6.058
  346   HD22  ASN1928          HD22      ASN1928  -0.440   6.764   6.415
  347    H    VAL1929           HN       VAL1929   1.263   4.093   3.335
  348    HA   VAL1929           HA       VAL1929   1.726   1.414   2.366
  349    HB   VAL1929           HB       VAL1929   3.646   3.328   3.702
  350   HG11  VAL1929          HG11      VAL1929   4.185   0.920   1.990
  351   HG12  VAL1929          HG12      VAL1929   4.466   1.060   3.725
  352   HG13  VAL1929          HG13      VAL1929   5.396   2.049   2.597
  353   HG21  VAL1929          HG21      VAL1929   3.075   2.912   0.776
  354   HG22  VAL1929          HG22      VAL1929   4.366   3.916   1.438
  355   HG23  VAL1929          HG23      VAL1929   2.680   4.342   1.731
  356    H    CYS1930           HN       CYS1930   3.106   2.715   5.256
  357    HA   CYS1930           HA       CYS1930   2.308   0.282   6.733
  358    HB2  CYS1930           HB2      CYS1930   4.958   1.712   6.786
  359    HB3  CYS1930           HB1      CYS1930   4.485   0.542   7.998
  360    H    ALA1931           HN       ALA1931   0.969   2.825   6.713
  361    HA   ALA1931           HA       ALA1931   0.957   3.163   9.564
  362    HB1  ALA1931           HB1      ALA1931   1.089   5.439   7.558
  363    HB2  ALA1931           HB2      ALA1931   2.309   5.047   8.767
  364    HB3  ALA1931           HB3      ALA1931   0.721   5.631   9.272
  365    H    GLU1932           HN       GLU1932  -1.198   3.609  10.195
  366    HA   GLU1932           HA       GLU1932  -3.084   2.932   8.185
  367    HB2  GLU1932           HB2      GLU1932  -4.822   3.298  10.074
  368    HB3  GLU1932           HB1      GLU1932  -3.717   1.950  10.205
  369    HG2  GLU1932           HG2      GLU1932  -3.410   4.583  11.644
  370    HG3  GLU1932           HG1      GLU1932  -4.140   3.137  12.333
  371    H    ALA1933           HN       ALA1933  -4.749   4.125   7.321
  372    HA   ALA1933           HA       ALA1933  -3.797   6.730   6.676
  373    HB1  ALA1933           HB1      ALA1933  -6.317   5.367   5.763
  374    HB2  ALA1933           HB2      ALA1933  -4.745   5.219   4.985
  375    HB3  ALA1933           HB3      ALA1933  -5.556   6.783   5.039
  376    H    LYS1934           HN       LYS1934  -4.315   8.555   7.313
  377    HA   LYS1934           HA       LYS1934  -6.182   9.029   9.387
  378    HB2  LYS1934           HB2      LYS1934  -4.078  10.340   8.983
  379    HB3  LYS1934           HB1      LYS1934  -4.809  11.003   7.536
  380    HG2  LYS1934           HG2      LYS1934  -4.837  12.548   9.447
  381    HG3  LYS1934           HG1      LYS1934  -6.453  12.168   8.848
  382    HD2  LYS1934           HD2      LYS1934  -6.811  10.623  10.670
  383    HD3  LYS1934           HD1      LYS1934  -5.147  10.832  11.220
  384    HE2  LYS1934           HE2      LYS1934  -7.112  13.103  11.042
  385    HE3  LYS1934           HE1      LYS1934  -6.928  12.113  12.488
  386    HZ1  LYS1934           HZ1      LYS1934  -4.639  13.552  11.245
  387    HZ2  LYS1934           HZ2      LYS1934  -4.751  12.828  12.773
  388    HZ3  LYS1934           HZ3      LYS1934  -5.635  14.230  12.424
  389    H    SER1935           HN       SER1935  -6.344   8.823   5.953
  390    HA   SER1935           HA       SER1935  -8.731  10.139   5.374
  391    HB2  SER1935           HB2      SER1935  -7.748   7.462   4.313
  392    HB3  SER1935           HB1      SER1935  -8.796   8.612   3.471
  393    HG   SER1935           HG       SER1935  -6.898  10.097   3.912
  394    H    SER1936           HN       SER1936 -10.600   9.796   6.367
  395    HA   SER1936           HA       SER1936 -10.646   7.740   8.330
  396    HB2  SER1936           HB2      SER1936 -12.577   9.988   7.910
  397    HB3  SER1936           HB1      SER1936 -12.372   9.002   9.361
  398    HG   SER1936           HG       SER1936  -9.970   9.984   8.683
  399    H    CYS1937           HN       CYS1937 -10.928   5.980   6.788
  400    HA   CYS1937           HA       CYS1937 -13.625   5.561   5.915
  401    HB2  CYS1937           HB2      CYS1937 -11.154   3.849   5.911
  402    HB3  CYS1937           HB1      CYS1937 -12.717   3.056   5.795
  403    H    ALA1938           HN       ALA1938 -11.519   4.616   8.603
  404    HA   ALA1938           HA       ALA1938 -13.683   4.606  10.408
  405    HB1  ALA1938           HB1      ALA1938 -14.114   2.342   9.507
  406    HB2  ALA1938           HB2      ALA1938 -13.544   2.279  11.193
  407    HB3  ALA1938           HB3      ALA1938 -12.447   1.892   9.899
  408    H    ASN1939           HN       ASN1939 -10.952   2.388  10.781
  409    HA   ASN1939           HA       ASN1939  -9.891   4.263  12.635
  410    HB2  ASN1939           HB2      ASN1939 -10.986   2.707  14.006
  411    HB3  ASN1939           HB1      ASN1939 -10.449   1.344  13.041
  412   HD21  ASN1939          HD21      ASN1939  -8.514   0.418  13.475
  413   HD22  ASN1939          HD22      ASN1939  -7.513   0.881  14.793
  414    H    GLY1940           HN       GLY1940  -8.936   1.095  11.353
  415    HA2  GLY1940           HA2      GLY1940  -6.184   2.094  11.058
  416    HA3  GLY1940           HA1      GLY1940  -6.656   0.427  11.355
  417    H    ALA1941           HN       ALA1941  -8.698   1.888   9.218
  418    HA   ALA1941           HA       ALA1941  -8.103   0.340   6.995
  419    HB1  ALA1941           HB1      ALA1941 -10.192   1.588   7.266
  420    HB2  ALA1941           HB2      ALA1941  -9.428   1.962   5.722
  421    HB3  ALA1941           HB3      ALA1941  -9.317   3.105   7.058
  422    H    ALA1942           HN       ALA1942  -6.484   0.402   5.550
  423    HA   ALA1942           HA       ALA1942  -4.706   2.747   5.561
  424    HB1  ALA1942           HB1      ALA1942  -4.209  -0.037   4.535
  425    HB2  ALA1942           HB2      ALA1942  -3.623   0.627   6.060
  426    HB3  ALA1942           HB3      ALA1942  -3.052   1.291   4.529
  427    H    VAL1943           HN       VAL1943  -6.326   0.410   3.472
  428    HA   VAL1943           HA       VAL1943  -6.138   2.374   1.333
  429    HB   VAL1943           HB       VAL1943  -7.261  -0.452   1.229
  430   HG11  VAL1943          HG11      VAL1943  -7.044  -0.202  -1.200
  431   HG12  VAL1943          HG12      VAL1943  -6.475   1.452  -0.969
  432   HG13  VAL1943          HG13      VAL1943  -8.119   1.014  -0.507
  433   HG21  VAL1943          HG21      VAL1943  -5.172  -1.107   0.108
  434   HG22  VAL1943          HG22      VAL1943  -4.880  -0.559   1.758
  435   HG23  VAL1943          HG23      VAL1943  -4.517   0.505   0.397
  436    H    CYS1944           HN       CYS1944  -7.682   3.703   1.315
  437    HA   CYS1944           HA       CYS1944 -10.271   3.045   2.474
  438    HB2  CYS1944           HB2      CYS1944  -8.843   4.654   3.763
  439    HB3  CYS1944           HB1      CYS1944  -8.807   5.700   2.353
  440    H    ILE1945           HN       ILE1945 -11.412   2.596   0.696
  441    HA   ILE1945           HA       ILE1945 -11.014   4.140  -1.709
  442    HB   ILE1945           HB       ILE1945 -12.959   1.889  -1.105
  443   HG12  ILE1945          HG12      ILE1945 -10.642   1.106  -0.965
  444   HG13  ILE1945          HG11      ILE1945 -11.447   0.440  -2.378
  445   HG21  ILE1945          HG21      ILE1945 -13.193   1.730  -3.532
  446   HG22  ILE1945          HG22      ILE1945 -12.140   3.134  -3.713
  447   HG23  ILE1945          HG23      ILE1945 -13.703   3.302  -2.919
  448   HD11  ILE1945          HD11      ILE1945  -9.160   1.088  -2.877
  449   HD12  ILE1945          HD12      ILE1945  -9.503   2.739  -2.364
  450   HD13  ILE1945          HD13      ILE1945 -10.303   2.074  -3.789
  451    H    THR1946           HN       THR1946 -11.867   6.116  -1.416
  452    HA   THR1946           HA       THR1946 -14.375   6.265   0.028
  453    HB   THR1946           HB       THR1946 -12.767   8.615  -1.014
  454    HG1  THR1946           HG1      THR1946 -11.982   6.785   0.716
  455   HG21  THR1946          HG21      THR1946 -13.871   9.776   0.841
  456   HG22  THR1946          HG22      THR1946 -14.618   8.267   1.352
  457   HG23  THR1946          HG23      THR1946 -15.094   9.009  -0.182
  458    H    ASP1947           HN       ASP1947 -16.033   5.812  -1.199
  459    HA   ASP1947           HA       ASP1947 -16.099   6.843  -3.904
  460    HB2  ASP1947           HB2      ASP1947 -17.910   5.250  -4.365
  461    HB3  ASP1947           HB1      ASP1947 -16.517   4.408  -3.729
  462    H    GLY1948           HN       GLY1948 -16.686   8.810  -3.797
  463    HA2  GLY1948           HA2      GLY1948 -18.008  10.650  -3.487
  464    HA3  GLY1948           HA1      GLY1948 -19.335   9.543  -3.122
  465    HA   PRO1949           HA       PRO1949 -18.507  11.087   1.001
  466    HB2  PRO1949           HB2      PRO1949 -20.975  10.841   1.971
  467    HB3  PRO1949           HB1      PRO1949 -20.575  12.108   0.802
  468    HG2  PRO1949           HG2      PRO1949 -22.033   9.540   0.383
  469    HG3  PRO1949           HG1      PRO1949 -22.299  11.119  -0.371
  470    HD2  PRO1949           HD2      PRO1949 -20.882   8.968  -1.486
  471    HD3  PRO1949           HD1      PRO1949 -20.858  10.646  -2.060
  472    H    LYS1950           HN       LYS1950 -19.011   7.956  -0.093
  473    HA   LYS1950           HA       LYS1950 -19.296   6.856   2.607
  474    HB2  LYS1950           HB2      LYS1950 -20.930   6.066   0.865
  475    HB3  LYS1950           HB1      LYS1950 -19.579   5.400  -0.044
  476    HG2  LYS1950           HG2      LYS1950 -19.064   3.881   1.769
  477    HG3  LYS1950           HG1      LYS1950 -20.339   4.587   2.753
  478    HD2  LYS1950           HD2      LYS1950 -21.120   2.508   1.843
  479    HD3  LYS1950           HD1      LYS1950 -21.992   3.820   1.062
  480    HE2  LYS1950           HE2      LYS1950 -21.301   2.026  -0.499
  481    HE3  LYS1950           HE1      LYS1950 -20.636   3.603  -0.920
  482    HZ1  LYS1950           HZ1      LYS1950 -18.992   1.813   0.751
  483    HZ2  LYS1950           HZ2      LYS1950 -18.541   2.941  -0.474
  484    HZ3  LYS1950           HZ3      LYS1950 -19.176   1.462  -0.892
  485    H    THR1951           HN       THR1951 -17.742   5.449   3.435
  486    HA   THR1951           HA       THR1951 -15.249   5.446   1.935
  487    HB   THR1951           HB       THR1951 -14.226   5.178   4.244
  488    HG1  THR1951           HG1      THR1951 -16.417   6.402   5.383
  489   HG21  THR1951          HG21      THR1951 -14.159   7.303   3.020
  490   HG22  THR1951          HG22      THR1951 -14.378   7.581   4.746
  491   HG23  THR1951          HG23      THR1951 -15.753   7.720   3.649
  492    H    LEU1952           HN       LEU1952 -14.617   3.546   1.205
  493    HA   LEU1952           HA       LEU1952 -15.674   1.080   2.393
  494    HB2  LEU1952           HB2      LEU1952 -16.240   1.535   0.055
  495    HB3  LEU1952           HB1      LEU1952 -14.542   1.695  -0.335
  496    HG   LEU1952           HG       LEU1952 -14.247  -0.703   0.299
  497   HD11  LEU1952          HD11      LEU1952 -16.169  -0.925   1.741
  498   HD12  LEU1952          HD12      LEU1952 -16.235  -2.099   0.423
  499   HD13  LEU1952          HD13      LEU1952 -17.248  -0.656   0.373
  500   HD21  LEU1952          HD21      LEU1952 -14.457  -0.007  -2.024
  501   HD22  LEU1952          HD22      LEU1952 -16.213  -0.106  -1.908
  502   HD23  LEU1952          HD23      LEU1952 -15.235  -1.568  -1.764
  503    H    ASN1953           HN       ASN1953 -14.192   0.007   3.637
  504    HA   ASN1953           HA       ASN1953 -11.374   0.537   3.303
  505    HB2  ASN1953           HB2      ASN1953 -12.109   0.186   5.585
  506    HB3  ASN1953           HB1      ASN1953 -12.852  -1.353   5.161
  507   HD21  ASN1953          HD21      ASN1953 -11.576  -3.185   5.103
  508   HD22  ASN1953          HD22      ASN1953  -9.920  -3.200   5.540
  509    H    ALA1954           HN       ALA1954 -10.301  -0.344   1.722
  510    HA   ALA1954           HA       ALA1954 -11.171  -2.953   0.710
  511    HB1  ALA1954           HB1      ALA1954  -9.170  -1.015  -0.450
  512    HB2  ALA1954           HB2      ALA1954 -10.853  -1.178  -0.950
  513    HB3  ALA1954           HB3      ALA1954  -9.723  -2.507  -1.210
  514    H    GLY1955           HN       GLY1955  -9.000  -1.617   2.812
  515    HA2  GLY1955           HA2      GLY1955  -7.785  -4.052   3.386
  516    HA3  GLY1955           HA1      GLY1955  -6.687  -3.070   2.420
  517    H    LYS1956           HN       LYS1956  -7.540  -3.846   5.427
  518    HA   LYS1956           HA       LYS1956  -7.155  -1.304   6.727
  519    HB2  LYS1956           HB2      LYS1956  -7.092  -2.564   8.808
  520    HB3  LYS1956           HB1      LYS1956  -8.429  -3.153   7.834
  521    HG2  LYS1956           HG2      LYS1956  -7.117  -5.095   7.166
  522    HG3  LYS1956           HG1      LYS1956  -5.732  -4.485   8.067
  523    HD2  LYS1956           HD2      LYS1956  -8.398  -5.196   9.282
  524    HD3  LYS1956           HD1      LYS1956  -7.006  -6.274   9.231
  525    HE2  LYS1956           HE2      LYS1956  -7.064  -3.571  10.577
  526    HE3  LYS1956           HE1      LYS1956  -7.279  -5.112  11.401
  527    HZ1  LYS1956           HZ1      LYS1956  -5.056  -4.287  11.628
  528    HZ2  LYS1956           HZ2      LYS1956  -4.795  -4.203   9.994
  529    HZ3  LYS1956           HZ3      LYS1956  -4.988  -5.719  10.757
  530    H    LEU1957           HN       LEU1957  -5.277  -0.872   8.046
  531    HA   LEU1957           HA       LEU1957  -2.901  -1.507   6.660
  532    HB2  LEU1957           HB2      LEU1957  -3.490   0.652   7.910
  533    HB3  LEU1957           HB1      LEU1957  -3.157  -0.228   9.383
  534    HG   LEU1957           HG       LEU1957  -1.312   1.295   8.580
  535   HD11  LEU1957          HD11      LEU1957  -0.765  -0.520  10.101
  536   HD12  LEU1957          HD12      LEU1957   0.511  -0.230   8.902
  537   HD13  LEU1957          HD13      LEU1957  -0.576  -1.594   8.709
  538   HD21  LEU1957          HD21      LEU1957   0.096   0.518   6.831
  539   HD22  LEU1957          HD22      LEU1957  -1.535   0.932   6.246
  540   HD23  LEU1957          HD23      LEU1957  -1.054  -0.767   6.455
  541    H    SER1958           HN       SER1958  -1.561  -3.078   7.066
  542    HA   SER1958           HA       SER1958  -1.541  -4.319   9.677
  543    HB2  SER1958           HB2      SER1958  -2.722  -5.793   7.935
  544    HB3  SER1958           HB1      SER1958  -1.213  -5.792   7.026
  545    HG   SER1958           HG       SER1958  -0.219  -6.935   8.682
  546    H    LYS1959           HN       LYS1959   0.365  -3.633  10.356
  547    HA   LYS1959           HA       LYS1959   2.319  -2.895   8.396
  548    HB2  LYS1959           HB2      LYS1959   3.817  -2.196  10.315
  549    HB3  LYS1959           HB1      LYS1959   2.367  -1.261  10.199
  550    HG2  LYS1959           HG2      LYS1959   2.829  -3.495  12.201
  551    HG3  LYS1959           HG1      LYS1959   3.123  -1.762  12.415
  552    HD2  LYS1959           HD2      LYS1959   0.375  -2.980  11.945
  553    HD3  LYS1959           HD1      LYS1959   1.049  -2.463  13.467
  554    HE2  LYS1959           HE2      LYS1959   1.261  -0.161  12.647
  555    HE3  LYS1959           HE1      LYS1959   0.586  -0.659  11.097
  556    HZ1  LYS1959           HZ1      LYS1959  -1.461  -1.264  12.202
  557    HZ2  LYS1959           HZ2      LYS1959  -1.113   0.358  12.579
  558    HZ3  LYS1959           HZ3      LYS1959  -0.823  -0.880  13.694
  559    H    THR1960           HN       THR1960   2.362  -4.879   7.535
  560    HA   THR1960           HA       THR1960   4.245  -6.771   8.742
  561    HB   THR1960           HB       THR1960   1.866  -7.419   6.987
  562    HG1  THR1960           HG1      THR1960   2.117  -7.438   9.824
  563   HG21  THR1960          HG21      THR1960   2.229  -9.709   7.818
  564   HG22  THR1960          HG22      THR1960   3.595  -9.143   8.779
  565   HG23  THR1960          HG23      THR1960   3.675  -9.094   7.017
  566    H    LEU1961           HN       LEU1961   5.985  -6.081   7.481
  567    HA   LEU1961           HA       LEU1961   5.530  -5.748   4.632
  568    HB2  LEU1961           HB2      LEU1961   6.699  -3.979   6.058
  569    HB3  LEU1961           HB1      LEU1961   8.033  -5.112   6.180
  570    HG   LEU1961           HG       LEU1961   8.243  -5.102   3.750
  571   HD11  LEU1961          HD11      LEU1961   5.952  -4.544   3.155
  572   HD12  LEU1961          HD12      LEU1961   7.057  -3.360   2.451
  573   HD13  LEU1961          HD13      LEU1961   6.128  -2.954   3.892
  574   HD21  LEU1961          HD21      LEU1961   8.377  -2.396   5.080
  575   HD22  LEU1961          HD22      LEU1961   9.149  -2.808   3.550
  576   HD23  LEU1961          HD23      LEU1961   9.649  -3.626   5.030
  577    H    THR1962           HN       THR1962   6.469  -7.121   3.191
  578    HA   THR1962           HA       THR1962   8.231  -9.186   4.152
  579    HB   THR1962           HB       THR1962   6.215 -10.193   4.776
  580    HG1  THR1962           HG1      THR1962   7.494 -11.498   3.299
  581   HG21  THR1962          HG21      THR1962   4.157 -10.267   3.400
  582   HG22  THR1962          HG22      THR1962   4.952  -9.213   2.216
  583   HG23  THR1962          HG23      THR1962   4.671  -8.645   3.868
  584    H    TYR1963           HN       TYR1963   9.075 -10.472   2.292
  585    HA   TYR1963           HA       TYR1963   8.789  -8.955  -0.167
  586    HB2  TYR1963           HB2      TYR1963  11.181  -9.501  -0.718
  587    HB3  TYR1963           HB1      TYR1963  10.973  -8.432   0.654
  588    HD1  TYR1963           HD1      TYR1963  12.024 -11.793  -0.418
  589    HD2  TYR1963           HD2      TYR1963  11.681  -9.126   2.881
  590    HE1  TYR1963           HE1      TYR1963  13.444 -13.284   0.930
  591    HE2  TYR1963           HE2      TYR1963  13.105 -10.602   4.230
  592    HH   TYR1963           HH       TYR1963  13.741 -12.882   4.318
  593    H    GLU1964           HN       GLU1964   7.902  -9.958  -1.705
  594    HA   GLU1964           HA       GLU1964   8.229 -12.860  -2.030
  595    HB2  GLU1964           HB2      GLU1964   5.696 -11.211  -2.286
  596    HB3  GLU1964           HB1      GLU1964   5.852 -12.847  -2.898
  597    HG2  GLU1964           HG2      GLU1964   6.239 -12.123  -0.009
  598    HG3  GLU1964           HG1      GLU1964   4.686 -12.597  -0.695
  599    H    ASP1965           HN       ASP1965   8.709 -13.422  -4.092
  600    HA   ASP1965           HA       ASP1965   9.226 -13.307  -6.304
  601    HB2  ASP1965           HB2      ASP1965   6.965 -12.208  -6.651
  602    HB3  ASP1965           HB1      ASP1965   7.714 -10.647  -6.370
  603    H    GLN1966           HN       GLN1966  10.348 -11.842  -3.932
  604    HA   GLN1966           HA       GLN1966  12.085 -10.671  -3.260
  605    HB2  GLN1966           HB2      GLN1966  13.077 -11.224  -6.059
  606    HB3  GLN1966           HB1      GLN1966  14.073 -10.445  -4.828
  607    HG2  GLN1966           HG2      GLN1966  13.821 -12.375  -3.366
  608    HG3  GLN1966           HG1      GLN1966  12.787 -13.156  -4.554
  609   HE21  GLN1966          HE21      GLN1966  14.160 -14.914  -4.620
  610   HE22  GLN1966          HE22      GLN1966  15.688 -14.881  -5.404
  611    H    VAL1967           HN       VAL1967   9.794  -9.481  -4.649
  612    HA   VAL1967           HA       VAL1967  10.776  -6.728  -4.866
  613    HB   VAL1967           HB       VAL1967   7.999  -7.821  -5.593
  614   HG11  VAL1967          HG11      VAL1967   7.700  -5.762  -6.831
  615   HG12  VAL1967          HG12      VAL1967   9.292  -5.209  -6.313
  616   HG13  VAL1967          HG13      VAL1967   8.012  -5.450  -5.125
  617   HG21  VAL1967          HG21      VAL1967   8.651  -7.685  -7.937
  618   HG22  VAL1967          HG22      VAL1967   9.637  -8.850  -7.054
  619   HG23  VAL1967          HG23      VAL1967  10.294  -7.264  -7.457
  620    H    LEU1968           HN       LEU1968   9.223  -5.209  -3.569
  621    HA   LEU1968           HA       LEU1968   8.945  -6.500  -1.007
  622    HB2  LEU1968           HB2      LEU1968  10.065  -4.300  -1.357
  623    HB3  LEU1968           HB1      LEU1968   8.509  -3.633  -1.797
  624    HG   LEU1968           HG       LEU1968   7.677  -3.981   0.433
  625   HD11  LEU1968          HD11      LEU1968   9.212  -4.833   2.183
  626   HD12  LEU1968          HD12      LEU1968  10.396  -5.205   0.933
  627   HD13  LEU1968          HD13      LEU1968   8.854  -6.058   0.966
  628   HD21  LEU1968          HD21      LEU1968  10.414  -2.732   0.378
  629   HD22  LEU1968          HD22      LEU1968   9.181  -2.458   1.611
  630   HD23  LEU1968          HD23      LEU1968   8.897  -1.943  -0.051
  631    H    LYS1969           HN       LYS1969   6.989  -6.854   0.054
  632    HA   LYS1969           HA       LYS1969   4.527  -6.221  -1.436
  633    HB2  LYS1969           HB2      LYS1969   5.232  -8.884  -0.191
  634    HB3  LYS1969           HB1      LYS1969   3.701  -8.475  -0.935
  635    HG2  LYS1969           HG2      LYS1969   6.342  -8.570  -2.367
  636    HG3  LYS1969           HG1      LYS1969   5.161  -9.876  -2.332
  637    HD2  LYS1969           HD2      LYS1969   3.521  -8.393  -3.405
  638    HD3  LYS1969           HD1      LYS1969   4.741  -7.114  -3.459
  639    HE2  LYS1969           HE2      LYS1969   6.156  -8.479  -4.867
  640    HE3  LYS1969           HE1      LYS1969   5.020  -9.820  -4.752
  641    HZ1  LYS1969           HZ1      LYS1969   4.499  -7.193  -6.021
  642    HZ2  LYS1969           HZ2      LYS1969   3.371  -8.459  -5.866
  643    HZ3  LYS1969           HZ3      LYS1969   4.734  -8.658  -6.821
  644    H    LEU1970           HN       LEU1970   2.656  -6.166  -0.120
  645    HA   LEU1970           HA       LEU1970   2.845  -6.641   2.718
  646    HB2  LEU1970           HB2      LEU1970   3.579  -4.197   2.096
  647    HB3  LEU1970           HB1      LEU1970   1.891  -3.939   1.733
  648    HG   LEU1970           HG       LEU1970   2.920  -4.761   4.457
  649   HD11  LEU1970          HD11      LEU1970   2.203  -2.027   3.424
  650   HD12  LEU1970          HD12      LEU1970   3.819  -2.599   3.836
  651   HD13  LEU1970          HD13      LEU1970   2.596  -2.430   5.094
  652   HD21  LEU1970          HD21      LEU1970   0.559  -5.290   4.066
  653   HD22  LEU1970          HD22      LEU1970   0.263  -3.616   3.594
  654   HD23  LEU1970          HD23      LEU1970   0.745  -3.997   5.248
  655    H    VAL1971           HN       VAL1971   0.780  -7.182   3.503
  656    HA   VAL1971           HA       VAL1971  -1.378  -7.296   1.492
  657    HB   VAL1971           HB       VAL1971  -2.266  -9.264   2.739
  658   HG11  VAL1971          HG11      VAL1971  -0.915  -9.602   0.756
  659   HG12  VAL1971          HG12      VAL1971  -0.608 -10.882   1.931
  660   HG13  VAL1971          HG13      VAL1971   0.556  -9.572   1.730
  661   HG21  VAL1971          HG21      VAL1971   0.361  -9.151   4.242
  662   HG22  VAL1971          HG22      VAL1971  -0.813 -10.465   4.330
  663   HG23  VAL1971          HG23      VAL1971  -1.237  -8.860   4.930
  664    H    TYR1972           HN       TYR1972  -3.072  -6.190   1.852
  665    HA   TYR1972           HA       TYR1972  -3.572  -5.103   4.528
  666    HB2  TYR1972           HB2      TYR1972  -4.550  -4.171   1.804
  667    HB3  TYR1972           HB1      TYR1972  -4.971  -3.417   3.339
  668    HD1  TYR1972           HD1      TYR1972  -2.269  -3.994   0.916
  669    HD2  TYR1972           HD2      TYR1972  -3.401  -2.007   4.494
  670    HE1  TYR1972           HE1      TYR1972  -0.273  -2.567   0.752
  671    HE2  TYR1972           HE2      TYR1972  -1.414  -0.584   4.332
  672    HH   TYR1972           HH       TYR1972   0.627  -0.536   1.517
  673    H    GLU1973           HN       GLU1973  -5.065  -6.055   5.637
  674    HA   GLU1973           HA       GLU1973  -6.703  -8.175   4.536
  675    HB2  GLU1973           HB2      GLU1973  -6.630  -7.025   7.291
  676    HB3  GLU1973           HB1      GLU1973  -7.332  -8.557   6.793
  677    HG2  GLU1973           HG2      GLU1973  -5.138  -9.449   6.343
  678    HG3  GLU1973           HG1      GLU1973  -4.403  -7.857   6.552
  679    H    ASP1974           HN       ASP1974  -8.940  -8.374   5.256
  680    HA   ASP1974           HA       ASP1974 -11.070  -7.820   5.659
  681    HB2  ASP1974           HB2      ASP1974 -10.183  -6.634   7.630
  682    HB3  ASP1974           HB1      ASP1974  -9.979  -5.181   6.670
  683    H    GLY1975           HN       GLY1975 -12.825  -6.547   5.035
  684    HA2  GLY1975           HA2      GLY1975 -12.690  -4.443   3.150
  685    HA3  GLY1975           HA1      GLY1975 -13.032  -5.982   2.356
  686    H    ASP1976           HN       ASP1976 -15.121  -5.006   1.819
  687    HA   ASP1976           HA       ASP1976 -16.946  -4.721   4.068
  688    HB2  ASP1976           HB2      ASP1976 -18.456  -3.748   2.481
  689    HB3  ASP1976           HB1      ASP1976 -16.874  -3.073   2.132
  690    HA   PRO1977           HA       PRO1977 -18.897  -8.679   3.317
  691    HB2  PRO1977           HB2      PRO1977 -21.557  -7.543   2.756
  692    HB3  PRO1977           HB1      PRO1977 -21.049  -8.598   4.079
  693    HG2  PRO1977           HG2      PRO1977 -21.633  -6.015   4.484
  694    HG3  PRO1977           HG1      PRO1977 -20.348  -6.838   5.388
  695    HD2  PRO1977           HD2      PRO1977 -20.129  -4.983   3.050
  696    HD3  PRO1977           HD1      PRO1977 -19.140  -5.060   4.523
  697    H    CYS1978           HN       CYS1978 -17.685  -8.620   1.298
  698    HA   CYS1978           HA       CYS1978 -19.108  -8.246  -1.159
  699    HB2  CYS1978           HB2      CYS1978 -16.713  -7.800  -1.144
  700    HB3  CYS1978           HB1      CYS1978 -16.373  -9.395  -0.493
  701    HA   PRO1979           HA       PRO1979 -20.979 -12.322  -1.238
  702    HB2  PRO1979           HB2      PRO1979 -20.564 -12.104  -4.176
  703    HB3  PRO1979           HB1      PRO1979 -22.048 -12.418  -3.272
  704    HG2  PRO1979           HG2      PRO1979 -21.650 -10.049  -4.380
  705    HG3  PRO1979           HG1      PRO1979 -22.367 -10.170  -2.761
  706    HD2  PRO1979           HD2      PRO1979 -19.559  -9.483  -3.547
  707    HD3  PRO1979           HD1      PRO1979 -20.595  -8.742  -2.309
  708    H    THR1980           HN       THR1980 -17.896 -11.569  -2.505
  709    HA   THR1980           HA       THR1980 -17.186 -14.375  -2.855
  710    HB   THR1980           HB       THR1980 -15.474 -11.987  -3.557
  711    HG1  THR1980           HG1      THR1980 -16.620 -12.237  -5.697
  712   HG21  THR1980          HG21      THR1980 -15.845 -14.737  -4.775
  713   HG22  THR1980          HG22      THR1980 -14.500 -14.257  -3.732
  714   HG23  THR1980          HG23      THR1980 -14.708 -13.504  -5.317
  715    H    ASP1981           HN       ASP1981 -17.411 -12.359  -0.382
  716    HA   ASP1981           HA       ASP1981 -14.966 -13.225   1.079
  717    HB2  ASP1981           HB2      ASP1981 -16.261 -10.555   0.821
  718    HB3  ASP1981           HB1      ASP1981 -15.542 -10.976   2.359
  719    H    LEU1982           HN       LEU1982 -17.417 -14.477   0.942
  720    HA   LEU1982           HA       LEU1982 -18.873 -13.756   3.362
  721    HB2  LEU1982           HB2      LEU1982 -19.199 -16.095   1.497
  722    HB3  LEU1982           HB1      LEU1982 -20.331 -15.570   2.727
  723    HG   LEU1982           HG       LEU1982 -19.572 -13.901   0.351
  724   HD11  LEU1982          HD11      LEU1982 -20.539 -15.961  -0.334
  725   HD12  LEU1982          HD12      LEU1982 -21.650 -14.613  -0.612
  726   HD13  LEU1982          HD13      LEU1982 -21.920 -15.730   0.750
  727   HD21  LEU1982          HD21      LEU1982 -21.610 -12.694   0.927
  728   HD22  LEU1982          HD22      LEU1982 -20.445 -12.692   2.262
  729   HD23  LEU1982          HD23      LEU1982 -21.841 -13.770   2.311
  730    H    LYS1983           HN       LYS1983 -16.791 -16.171   2.021
  731    HA   LYS1983           HA       LYS1983 -16.605 -17.572   4.578
  732    HB2  LYS1983           HB2      LYS1983 -17.367 -18.933   2.741
  733    HB3  LYS1983           HB1      LYS1983 -16.047 -18.391   1.726
  734    HG2  LYS1983           HG2      LYS1983 -14.489 -19.492   3.007
  735    HG3  LYS1983           HG1      LYS1983 -15.662 -19.964   4.246
  736    HD2  LYS1983           HD2      LYS1983 -16.867 -21.293   2.478
  737    HD3  LYS1983           HD1      LYS1983 -15.563 -20.902   1.356
  738    HE2  LYS1983           HE2      LYS1983 -13.963 -22.050   2.785
  739    HE3  LYS1983           HE1      LYS1983 -15.235 -22.399   3.956
  740    HZ1  LYS1983           HZ1      LYS1983 -15.174 -23.390   1.157
  741    HZ2  LYS1983           HZ2      LYS1983 -16.326 -23.813   2.309
  742    HZ3  LYS1983           HZ3      LYS1983 -14.709 -24.285   2.502
  743    H    MET1984           HN       MET1984 -14.950 -15.120   3.008
  744    HA   MET1984           HA       MET1984 -12.500 -15.870   4.145
  745    HB2  MET1984           HB2      MET1984 -11.297 -15.378   2.050
  746    HB3  MET1984           HB1      MET1984 -12.258 -16.841   1.954
  747    HG2  MET1984           HG2      MET1984 -13.952 -15.679   0.652
  748    HG3  MET1984           HG1      MET1984 -13.072 -14.169   0.853
  749    HE1  MET1984           HE1      MET1984 -10.092 -14.834   0.523
  750    HE2  MET1984           HE2      MET1984 -10.914 -13.514  -0.312
  751    HE3  MET1984           HE3      MET1984  -9.872 -14.615  -1.219
  752    H    LYS1985           HN       LYS1985 -11.200 -14.145   3.999
  753    HA   LYS1985           HA       LYS1985 -12.433 -11.532   3.533
  754    HB2  LYS1985           HB2      LYS1985 -10.830 -12.318   5.980
  755    HB3  LYS1985           HB1      LYS1985 -11.128 -10.641   5.536
  756    HG2  LYS1985           HG2      LYS1985 -13.281 -12.677   6.085
  757    HG3  LYS1985           HG1      LYS1985 -12.694 -11.485   7.252
  758    HD2  LYS1985           HD2      LYS1985 -13.438  -9.668   5.867
  759    HD3  LYS1985           HD1      LYS1985 -13.828 -10.774   4.551
  760    HE2  LYS1985           HE2      LYS1985 -15.174 -10.798   7.248
  761    HE3  LYS1985           HE1      LYS1985 -15.799  -9.947   5.841
  762    HZ1  LYS1985           HZ1      LYS1985 -15.925 -12.088   4.674
  763    HZ2  LYS1985           HZ2      LYS1985 -16.860 -12.090   6.048
  764    HZ3  LYS1985           HZ3      LYS1985 -15.380 -12.896   6.051
  765    H    HIS1986           HN       HIS1986 -11.506 -11.015   1.796
  766    HA   HIS1986           HA       HIS1986  -9.092 -11.801   0.709
  767    HB2  HIS1986           HB2      HIS1986  -9.285  -9.952  -0.882
  768    HB3  HIS1986           HB1      HIS1986 -10.852 -10.700  -0.612
  769    HD1  HIS1986           HD1      HIS1986 -12.718  -9.157   0.036
  770    HD2  HIS1986           HD2      HIS1986  -8.992  -7.374   0.507
  771    HE1  HIS1986           HE1      HIS1986 -13.169  -6.763   0.657
  772    HE2  HIS1986           HE2      HIS1986 -10.887  -5.959   1.399
  773    H    LYS1987           HN       LYS1987  -7.044 -10.823   0.377
  774    HA   LYS1987           HA       LYS1987  -6.342  -8.684   2.222
  775    HB2  LYS1987           HB2      LYS1987  -4.561 -10.881   1.106
  776    HB3  LYS1987           HB1      LYS1987  -4.118  -9.675   2.304
  777    HG2  LYS1987           HG2      LYS1987  -5.593 -10.686   3.928
  778    HG3  LYS1987           HG1      LYS1987  -6.177 -11.836   2.725
  779    HD2  LYS1987           HD2      LYS1987  -3.807 -12.651   2.515
  780    HD3  LYS1987           HD1      LYS1987  -3.417 -11.647   3.918
  781    HE2  LYS1987           HE2      LYS1987  -5.055 -12.848   5.255
  782    HE3  LYS1987           HE1      LYS1987  -5.512 -13.814   3.855
  783    HZ1  LYS1987           HZ1      LYS1987  -4.065 -15.114   5.138
  784    HZ2  LYS1987           HZ2      LYS1987  -2.962 -13.869   5.357
  785    HZ3  LYS1987           HZ3      LYS1987  -3.103 -14.604   3.848
  786    H    SER1988           HN       SER1988  -5.639  -6.949   1.100
  787    HA   SER1988           HA       SER1988  -5.442  -7.197  -1.777
  788    HB2  SER1988           HB2      SER1988  -5.509  -4.773   0.042
  789    HB3  SER1988           HB1      SER1988  -5.530  -4.729  -1.734
  790    HG   SER1988           HG       SER1988  -7.626  -4.908  -0.184
  791    H    TYR1989           HN       TYR1989  -3.589  -6.840  -2.900
  792    HA   TYR1989           HA       TYR1989  -1.209  -7.149  -1.252
  793    HB2  TYR1989           HB2      TYR1989  -1.634  -7.815  -4.151
  794    HB3  TYR1989           HB1      TYR1989  -0.266  -8.291  -3.151
  795    HD1  TYR1989           HD2      TYR1989  -0.679  -9.953  -1.264
  796    HD2  TYR1989           HD1      TYR1989  -3.608  -9.105  -4.230
  797    HE1  TYR1989           HE2      TYR1989  -1.896 -12.008  -0.651
  798    HE2  TYR1989           HE1      TYR1989  -4.830 -11.147  -3.625
  799    HH   TYR1989           HH       TYR1989  -4.452 -13.267  -2.563
  800    H    PHE1990           HN       PHE1990   0.088  -5.474  -1.114
  801    HA   PHE1990           HA       PHE1990   0.103  -3.508  -3.292
  802    HB2  PHE1990           HB2      PHE1990  -0.329  -2.990  -0.715
  803    HB3  PHE1990           HB1      PHE1990   1.423  -3.070  -0.649
  804    HD1  PHE1990           HD2      PHE1990   2.256  -1.819  -3.104
  805    HD2  PHE1990           HD1      PHE1990  -0.932  -0.756  -0.504
  806    HE1  PHE1990           HE2      PHE1990   2.409   0.505  -3.875
  807    HE2  PHE1990           HE1      PHE1990  -0.784   1.568  -1.274
  808    HZ   PHE1990           HZ       PHE1990   0.803   2.233  -2.876
  809    H    SER1991           HN       SER1991   1.829  -3.597  -4.542
  810    HA   SER1991           HA       SER1991   4.180  -5.087  -3.667
  811    HB2  SER1991           HB2      SER1991   2.936  -5.720  -5.782
  812    HB3  SER1991           HB1      SER1991   3.396  -4.157  -6.446
  813    HG   SER1991           HG       SER1991   5.080  -5.198  -7.097
  814    H    PHE1992           HN       PHE1992   6.037  -3.997  -3.384
  815    HA   PHE1992           HA       PHE1992   6.114  -1.184  -4.163
  816    HB2  PHE1992           HB2      PHE1992   7.479  -2.520  -1.807
  817    HB3  PHE1992           HB1      PHE1992   7.726  -0.844  -2.282
  818    HD1  PHE1992           HD2      PHE1992   5.938   0.809  -2.011
  819    HD2  PHE1992           HD1      PHE1992   5.515  -3.209  -0.677
  820    HE1  PHE1992           HE2      PHE1992   4.027   1.477  -0.613
  821    HE2  PHE1992           HE1      PHE1992   3.615  -2.563   0.716
  822    HZ   PHE1992           HZ       PHE1992   2.844  -0.151   0.706
  823    H    VAL1993           HN       VAL1993   7.217  -0.947  -5.822
  824    HA   VAL1993           HA       VAL1993   9.582  -2.575  -6.304
  825    HB   VAL1993           HB       VAL1993   7.863  -3.313  -7.841
  826   HG11  VAL1993          HG11      VAL1993   6.328  -1.490  -7.658
  827   HG12  VAL1993          HG12      VAL1993   6.672  -1.831  -9.353
  828   HG13  VAL1993          HG13      VAL1993   7.412  -0.431  -8.563
  829   HG21  VAL1993          HG21      VAL1993  10.060  -3.072  -8.871
  830   HG22  VAL1993          HG22      VAL1993   9.661  -1.403  -9.306
  831   HG23  VAL1993          HG23      VAL1993   8.773  -2.737 -10.040
  832    H    CYS1994           HN       CYS1994  11.263  -1.426  -7.494
  833    HA   CYS1994           HA       CYS1994  11.405   1.232  -6.444
  834    HB2  CYS1994           HB2      CYS1994  13.787   1.012  -7.260
  835    HB3  CYS1994           HB1      CYS1994  13.245  -0.042  -5.958
  836    H    LYS1995           HN       LYS1995  11.889   3.044  -7.538
  837    HA   LYS1995           HA       LYS1995  12.053   2.971 -10.434
  838    HB2  LYS1995           HB2      LYS1995   9.676   3.516  -9.801
  839    HB3  LYS1995           HB1      LYS1995  10.272   4.887  -8.880
  840    HG2  LYS1995           HG2      LYS1995  11.203   5.824 -10.980
  841    HG3  LYS1995           HG1      LYS1995  10.452   4.493 -11.862
  842    HD2  LYS1995           HD2      LYS1995   8.252   5.249 -11.075
  843    HD3  LYS1995           HD1      LYS1995   9.029   6.573 -10.198
  844    HE2  LYS1995           HE2      LYS1995   9.962   7.375 -12.368
  845    HE3  LYS1995           HE1      LYS1995   9.015   6.132 -13.184
  846    HZ1  LYS1995           HZ1      LYS1995   7.892   8.294 -13.202
  847    HZ2  LYS1995           HZ2      LYS1995   7.943   8.342 -11.532
  848    HZ3  LYS1995           HZ3      LYS1995   6.993   7.181 -12.302
  849    H    SER1996           HN       SER1996  13.767   4.209 -11.033
  850    HA   SER1996           HA       SER1996  15.293   5.550  -8.968
  851    HB2  SER1996           HB2      SER1996  15.871   5.358 -11.927
  852    HB3  SER1996           HB1      SER1996  17.026   5.609 -10.613
  853    HG   SER1996           HG       SER1996  16.177   3.470  -9.843
  854    H    ASP1997           HN       ASP1997  12.908   6.288 -11.058
  855    HA   ASP1997           HA       ASP1997  13.517   9.169 -11.202
  856    HB2  ASP1997           HB2      ASP1997  13.124   8.070 -13.352
  857    HB3  ASP1997           HB1      ASP1997  11.598   7.432 -12.777
  858    H    ALA1998           HN       ALA1998  12.259   7.350  -8.997
  859    HA   ALA1998           HA       ALA1998   9.548   8.103  -8.713
  860    HB1  ALA1998           HB1      ALA1998   9.696   7.211  -6.464
  861    HB2  ALA1998           HB2      ALA1998  11.457   7.200  -6.569
  862    HB3  ALA1998           HB3      ALA1998  10.504   6.139  -7.604
  863    H    GLY1999           HN       GLY1999  12.549   9.487  -7.445
  864    HA2  GLY1999           HA2      GLY1999  13.013  11.531  -6.612
  865    HA3  GLY1999           HA1      GLY1999  11.471  12.071  -7.264
  866    H    ASP2000           HN       ASP2000  10.804  13.268  -5.595
  867    HA   ASP2000           HA       ASP2000  10.747  12.099  -2.904
  868    HB2  ASP2000           HB2      ASP2000  11.581  14.409  -3.073
  869    HB3  ASP2000           HB1      ASP2000  10.067  14.910  -3.820
  870    H    ASP2001           HN       ASP2001   8.813  12.891  -5.588
  871    HA   ASP2001           HA       ASP2001   6.251  13.129  -4.452
  872    HB2  ASP2001           HB2      ASP2001   6.979  13.537  -6.899
  873    HB3  ASP2001           HB1      ASP2001   6.835  11.774  -7.032
  874    H    SER2002           HN       SER2002   7.717  10.369  -6.096
  875    HA   SER2002           HA       SER2002   7.608   8.162  -5.905
  876    HB2  SER2002           HB2      SER2002   7.860   9.031  -3.329
  877    HB3  SER2002           HB1      SER2002   6.347   8.133  -3.213
  878    HG   SER2002           HG       SER2002   8.925   7.285  -3.840
  879    H    GLN2003           HN       GLN2003   6.174   7.011  -7.092
  880    HA   GLN2003           HA       GLN2003   3.391   7.822  -6.778
  881    HB2  GLN2003           HB2      GLN2003   2.975   7.172  -9.083
  882    HB3  GLN2003           HB1      GLN2003   4.195   8.420  -8.935
  883    HG2  GLN2003           HG2      GLN2003   5.932   6.917  -9.479
  884    HG3  GLN2003           HG1      GLN2003   4.874   5.521  -9.284
  885   HE21  GLN2003          HE21      GLN2003   2.620   6.801 -10.667
  886   HE22  GLN2003          HE22      GLN2003   3.009   6.775 -12.329
  887    HA   PRO2004           HA       PRO2004   2.281   3.617  -5.903
  888    HB2  PRO2004           HB2      PRO2004  -0.322   4.567  -5.222
  889    HB3  PRO2004           HB1      PRO2004   0.967   4.100  -4.111
  890    HG2  PRO2004           HG2      PRO2004  -0.022   6.684  -4.430
  891    HG3  PRO2004           HG1      PRO2004   1.530   6.255  -3.695
  892    HD2  PRO2004           HD2      PRO2004   0.936   7.220  -6.451
  893    HD3  PRO2004           HD1      PRO2004   2.331   7.567  -5.404
  894    H    VAL2005           HN       VAL2005   1.933   2.607  -7.817
  895    HA   VAL2005           HA       VAL2005  -0.065   3.697  -9.627
  896    HB   VAL2005           HB       VAL2005   1.929   1.444 -10.063
  897   HG11  VAL2005          HG11      VAL2005   0.146   2.872 -12.040
  898   HG12  VAL2005          HG12      VAL2005  -0.043   1.214 -11.472
  899   HG13  VAL2005          HG13      VAL2005   1.363   1.658 -12.439
  900   HG21  VAL2005          HG21      VAL2005   3.068   3.578  -9.799
  901   HG22  VAL2005          HG22      VAL2005   2.021   4.305 -11.017
  902   HG23  VAL2005          HG23      VAL2005   3.157   3.033 -11.475
  903    H    PHE2006           HN       PHE2006  -2.012   2.970  -9.282
  904    HA   PHE2006           HA       PHE2006  -2.470   0.430  -8.026
  905    HB2  PHE2006           HB2      PHE2006  -4.846   0.984  -8.219
  906    HB3  PHE2006           HB1      PHE2006  -3.997   2.384  -7.598
  907    HD1  PHE2006           HD2      PHE2006  -3.448   4.266  -9.259
  908    HD2  PHE2006           HD1      PHE2006  -6.144   1.091 -10.152
  909    HE1  PHE2006           HE2      PHE2006  -4.395   5.584 -11.101
  910    HE2  PHE2006           HE1      PHE2006  -7.088   2.406 -11.995
  911    HZ   PHE2006           HZ       PHE2006  -6.211   4.652 -12.471
  912    H    LEU2007           HN       LEU2007  -3.027  -1.442  -9.095
  913    HA   LEU2007           HA       LEU2007  -2.670  -1.374 -11.964
  914    HB2  LEU2007           HB2      LEU2007  -2.965  -3.644  -9.992
  915    HB3  LEU2007           HB1      LEU2007  -3.040  -3.919 -11.716
  916    HG   LEU2007           HG       LEU2007  -0.719  -3.087 -11.938
  917   HD11  LEU2007          HD11      LEU2007   0.678  -2.774  -9.958
  918   HD12  LEU2007          HD12      LEU2007  -0.742  -2.967  -8.935
  919   HD13  LEU2007          HD13      LEU2007  -0.630  -1.594 -10.033
  920   HD21  LEU2007          HD21      LEU2007   0.378  -5.007 -10.896
  921   HD22  LEU2007          HD22      LEU2007  -1.124  -5.463 -11.698
  922   HD23  LEU2007          HD23      LEU2007  -1.073  -5.312  -9.941
  923    H    SER2008           HN       SER2008  -5.031  -2.814  -9.762
  924    HA   SER2008           HA       SER2008  -7.234  -1.563 -10.914
  925    HB2  SER2008           HB2      SER2008  -6.582  -3.201 -12.778
  926    HB3  SER2008           HB1      SER2008  -6.951  -4.502 -11.653
  927    HG   SER2008           HG       SER2008  -8.895  -2.551 -11.954
  928    H    PHE2009           HN       PHE2009  -9.128  -2.243  -9.810
  929    HA   PHE2009           HA       PHE2009  -8.692  -3.630  -7.295
  930    HB2  PHE2009           HB2      PHE2009 -10.146  -1.531  -7.534
  931    HB3  PHE2009           HB1      PHE2009 -11.263  -2.505  -8.478
  932    HD1  PHE2009           HD2      PHE2009 -12.406  -4.441  -7.368
  933    HD2  PHE2009           HD1      PHE2009 -10.210  -1.540  -5.163
  934    HE1  PHE2009           HE2      PHE2009 -13.556  -5.141  -5.314
  935    HE2  PHE2009           HE1      PHE2009 -11.350  -2.240  -3.099
  936    HZ   PHE2009           HZ       PHE2009 -13.024  -3.965  -3.145
  937    H    ASP2010           HN       ASP2010  -9.467  -5.720  -7.000
  938    HA   ASP2010           HA       ASP2010 -10.288  -7.051  -9.470
  939    HB2  ASP2010           HB2      ASP2010  -8.262  -7.930  -8.539
  940    HB3  ASP2010           HB1      ASP2010  -9.001  -8.095  -6.950
  941    H    GLU2011           HN       GLU2011 -12.362  -7.529  -9.622
  942    HA   GLU2011           HA       GLU2011 -13.949  -7.572  -7.168
  943    HB2  GLU2011           HB2      GLU2011 -15.922  -7.537  -8.605
  944    HB3  GLU2011           HB1      GLU2011 -14.832  -6.222  -9.007
  945    HG2  GLU2011           HG2      GLU2011 -14.053  -7.419 -10.950
  946    HG3  GLU2011           HG1      GLU2011 -15.032  -8.816 -10.486
  947    H    GLN2012           HN       GLN2012 -12.279  -9.629  -9.028
  948    HA   GLN2012           HA       GLN2012 -13.913 -11.902  -9.215
  949    HB2  GLN2012           HB2      GLN2012 -11.952 -11.750 -10.552
  950    HB3  GLN2012           HB1      GLN2012 -10.932 -11.524  -9.147
  951    HG2  GLN2012           HG2      GLN2012 -11.316 -13.823  -8.486
  952    HG3  GLN2012           HG1      GLN2012 -12.386 -14.049  -9.869
  953   HE21  GLN2012          HE21      GLN2012  -9.542 -12.072 -10.137
  954   HE22  GLN2012          HE22      GLN2012  -8.646 -13.148 -11.139
  955    H    THR2013           HN       THR2013 -11.617 -10.880  -6.705
  956    HA   THR2013           HA       THR2013 -13.316 -12.409  -4.894
  957    HB   THR2013           HB       THR2013 -11.260 -13.761  -5.316
  958    HG1  THR2013           HG1      THR2013 -11.821 -12.717  -2.773
  959   HG21  THR2013          HG21      THR2013  -9.657 -11.944  -5.675
  960   HG22  THR2013          HG22      THR2013  -9.108 -13.019  -4.390
  961   HG23  THR2013          HG23      THR2013  -9.822 -11.457  -3.988
  962    H    CYS2014           HN       CYS2014 -12.825  -9.533  -5.687
  963    HA   CYS2014           HA       CYS2014 -13.027  -7.525  -4.801
  964    HB2  CYS2014           HB2      CYS2014 -13.935  -9.127  -2.420
  965    HB3  CYS2014           HB1      CYS2014 -13.853  -7.368  -2.341
  966    H    THR2015           HN       THR2015 -10.414  -8.692  -4.788
  967    HA   THR2015           HA       THR2015  -9.190  -7.342  -2.513
  968    HB   THR2015           HB       THR2015  -8.345  -9.631  -2.962
  969    HG1  THR2015           HG1      THR2015  -6.430  -8.940  -2.344
  970   HG21  THR2015          HG21      THR2015  -7.443  -8.522  -5.623
  971   HG22  THR2015          HG22      THR2015  -8.721  -9.714  -5.378
  972   HG23  THR2015          HG23      THR2015  -7.049 -10.121  -4.991
  973    H    SER2016           HN       SER2016  -6.853  -6.438  -3.495
  974    HA   SER2016           HA       SER2016  -7.419  -4.708  -5.776
  975    HB2  SER2016           HB2      SER2016  -6.397  -3.711  -3.105
  976    HB3  SER2016           HB1      SER2016  -6.648  -2.739  -4.553
  977    HG   SER2016           HG       SER2016  -8.796  -4.217  -3.689
  978    H    TYR2017           HN       TYR2017  -5.521  -4.183  -6.930
  979    HA   TYR2017           HA       TYR2017  -3.043  -5.327  -5.847
  980    HB2  TYR2017           HB2      TYR2017  -3.890  -5.144  -8.749
  981    HB3  TYR2017           HB1      TYR2017  -2.330  -5.734  -8.183
  982    HD1  TYR2017           HD2      TYR2017  -2.427  -7.737  -6.514
  983    HD2  TYR2017           HD1      TYR2017  -5.607  -6.647  -9.118
  984    HE1  TYR2017           HE2      TYR2017  -3.375  -9.993  -6.292
  985    HE2  TYR2017           HE1      TYR2017  -6.559  -8.904  -8.901
  986    HH   TYR2017           HH       TYR2017  -5.888 -11.124  -8.315
  987    H    PHE2018           HN       PHE2018  -1.592  -3.852  -5.383
  988    HA   PHE2018           HA       PHE2018  -1.565  -1.369  -6.974
  989    HB2  PHE2018           HB2      PHE2018  -0.986  -1.593  -4.013
  990    HB3  PHE2018           HB1      PHE2018  -0.917  -0.127  -4.977
  991    HD1  PHE2018           HD2      PHE2018  -3.213   0.288  -6.318
  992    HD2  PHE2018           HD1      PHE2018  -2.793  -1.853  -2.675
  993    HE1  PHE2018           HE2      PHE2018  -5.556   0.718  -5.809
  994    HE2  PHE2018           HE1      PHE2018  -5.155  -1.426  -2.146
  995    HZ   PHE2018           HZ       PHE2018  -6.546  -0.133  -3.713
  996    H    SER2019           HN       SER2019   0.497  -0.476  -7.324
  997    HA   SER2019           HA       SER2019   2.776  -1.866  -6.213
  998    HB2  SER2019           HB2      SER2019   2.341  -1.408  -9.173
  999    HB3  SER2019           HB1      SER2019   3.857  -1.954  -8.468
 1000    HG   SER2019           HG       SER2019   1.770  -3.440  -7.616
 1001    H    TRP2020           HN       TRP2020   3.954  -0.368  -5.315
 1002    HA   TRP2020           HA       TRP2020   3.691   2.410  -6.228
 1003    HB2  TRP2020           HB2      TRP2020   3.347   1.761  -3.775
 1004    HB3  TRP2020           HB1      TRP2020   5.054   1.359  -3.727
 1005    HD1  TRP2020           HD1      TRP2020   6.415   3.839  -4.978
 1006    HE1  TRP2020           HE1      TRP2020   6.273   6.157  -3.888
 1007    HE3  TRP2020           HE3      TRP2020   2.229   3.141  -2.135
 1008    HZ2  TRP2020           HZ2      TRP2020   4.621   7.515  -2.072
 1009    HZ3  TRP2020           HZ3      TRP2020   1.446   5.007  -0.739
 1010    HH2  TRP2020           HH2      TRP2020   2.615   7.145  -0.712
 1011    H    HIS2021           HN       HIS2021   5.276   3.264  -7.300
 1012    HA   HIS2021           HA       HIS2021   7.772   1.784  -7.622
 1013    HB2  HIS2021           HB2      HIS2021   6.551   4.047  -9.256
 1014    HB3  HIS2021           HB1      HIS2021   8.150   3.386  -9.550
 1015    HD1  HIS2021           HD1      HIS2021   7.775   2.307 -11.863
 1016    HD2  HIS2021           HD2      HIS2021   4.843   1.244  -9.090
 1017    HE1  HIS2021           HE1      HIS2021   6.422   0.537 -12.954
 1018    HE2  HIS2021           HE2      HIS2021   4.549   0.040 -11.351
 1019    H    THR2022           HN       THR2022   8.832   2.317  -5.817
 1020    HA   THR2022           HA       THR2022   9.330   5.161  -5.306
 1021    HB   THR2022           HB       THR2022   7.889   4.358  -3.539
 1022    HG1  THR2022           HG1      THR2022   9.103   5.587  -2.458
 1023   HG21  THR2022          HG21      THR2022   9.912   2.160  -3.064
 1024   HG22  THR2022          HG22      THR2022   8.285   1.950  -3.713
 1025   HG23  THR2022          HG23      THR2022   8.508   2.493  -2.049
 1026    H    SER2023           HN       SER2023  11.431   5.662  -4.467
 1027    HA   SER2023           HA       SER2023  13.427   4.002  -5.673
 1028    HB2  SER2023           HB2      SER2023  14.909   5.845  -4.879
 1029    HB3  SER2023           HB1      SER2023  13.632   6.330  -6.008
 1030    HG   SER2023           HG       SER2023  14.096   7.086  -3.461
 1031    H    LEU2024           HN       LEU2024  12.079   4.254  -2.565
 1032    HA   LEU2024           HA       LEU2024  14.453   3.454  -1.125
 1033    HB2  LEU2024           HB2      LEU2024  11.562   3.606  -0.230
 1034    HB3  LEU2024           HB1      LEU2024  12.874   3.135   0.817
 1035    HG   LEU2024           HG       LEU2024  12.331   5.364   1.351
 1036   HD11  LEU2024          HD11      LEU2024  14.673   4.946   1.371
 1037   HD12  LEU2024          HD12      LEU2024  14.363   6.610   0.879
 1038   HD13  LEU2024          HD13      LEU2024  14.812   5.400  -0.324
 1039   HD21  LEU2024          HD21      LEU2024  12.576   6.078  -1.574
 1040   HD22  LEU2024          HD22      LEU2024  12.304   7.221  -0.261
 1041   HD23  LEU2024          HD23      LEU2024  11.082   6.009  -0.638
 1042    H    ALA2025           HN       ALA2025  12.026   1.940  -2.872
 1043    HA   ALA2025           HA       ALA2025  11.565  -0.434  -1.569
 1044    HB1  ALA2025           HB1      ALA2025  10.243   0.409  -3.410
 1045    HB2  ALA2025           HB2      ALA2025  10.720  -1.276  -3.665
 1046    HB3  ALA2025           HB3      ALA2025  11.554   0.030  -4.518
 1047    H    CYS2026           HN       CYS2026  13.576  -0.474  -4.564
 1048    HA   CYS2026           HA       CYS2026  14.762  -2.883  -3.369
 1049    HB2  CYS2026           HB2      CYS2026  15.106  -3.763  -5.512
 1050    HB3  CYS2026           HB1      CYS2026  13.555  -2.946  -5.673
 1051    H    GLU2027           HN       GLU2027  17.067  -3.234  -4.535
 1052    HA   GLU2027           HA       GLU2027  18.585  -0.803  -3.930
 1053    HB2  GLU2027           HB2      GLU2027  19.102  -2.943  -2.700
 1054    HB3  GLU2027           HB1      GLU2027  19.561  -3.646  -4.243
 1055    HG2  GLU2027           HG2      GLU2027  21.518  -2.954  -3.044
 1056    HG3  GLU2027           HG1      GLU2027  21.312  -1.934  -4.472
 1057    H    GLU2028           HN       GLU2028  18.133  -3.464  -6.257
 1058    HA   GLU2028           HA       GLU2028  19.050  -1.716  -8.349
 1059    HB2  GLU2028           HB2      GLU2028  21.114  -2.755  -7.569
 1060    HB3  GLU2028           HB1      GLU2028  20.407  -4.349  -7.771
 1061    HG2  GLU2028           HG2      GLU2028  21.935  -3.774  -9.583
 1062    HG3  GLU2028           HG1      GLU2028  20.286  -4.027 -10.157
 1063    H    GLU2029           HN       GLU2029  17.186  -1.778  -9.430
 1064    HA   GLU2029           HA       GLU2029  16.778  -4.024 -11.091
 1065    HB2  GLU2029           HB2      GLU2029  15.314  -4.604  -9.136
 1066    HB3  GLU2029           HB1      GLU2029  14.477  -3.074  -9.354
 1067    HG2  GLU2029           HG2      GLU2029  13.665  -3.764 -11.508
 1068    HG3  GLU2029           HG1      GLU2029  14.620  -5.242 -11.434
 1069    H    VAL2030           HN       VAL2030  15.986  -3.326 -12.980
 1070    HA   VAL2030           HA       VAL2030  15.563  -0.448 -13.132
 1071    HB   VAL2030           HB       VAL2030  16.279  -2.400 -15.350
 1072   HG11  VAL2030          HG11      VAL2030  14.948  -0.598 -16.257
 1073   HG12  VAL2030          HG12      VAL2030  16.633  -0.390 -16.736
 1074   HG13  VAL2030          HG13      VAL2030  15.954   0.596 -15.439
 1075   HG21  VAL2030          HG21      VAL2030  17.912  -0.252 -14.005
 1076   HG22  VAL2030          HG22      VAL2030  18.431  -1.235 -15.376
 1077   HG23  VAL2030          HG23      VAL2030  18.119  -1.994 -13.816
 1078    HA   PRO2031           HA       PRO2031  11.263  -1.509 -13.920
 1079    HB2  PRO2031           HB2      PRO2031  10.250   0.837 -13.174
 1080    HB3  PRO2031           HB1      PRO2031  10.916  -0.273 -11.970
 1081    HG2  PRO2031           HG2      PRO2031  12.141   2.184 -13.161
 1082    HG3  PRO2031           HG1      PRO2031  12.183   1.599 -11.487
 1083    HD2  PRO2031           HD2      PRO2031  14.204   1.257 -13.347
 1084    HD3  PRO2031           HD1      PRO2031  13.990   0.286 -11.879
 1085    H    ARG2032           HN       ARG2032  13.357   0.047 -15.687
 1086    HA   ARG2032           HA       ARG2032  11.497   1.478 -17.413
 1087    HB2  ARG2032           HB2      ARG2032  14.519   1.419 -17.373
 1088    HB3  ARG2032           HB1      ARG2032  13.559   2.292 -18.558
 1089    HG2  ARG2032           HG2      ARG2032  12.632   3.690 -16.812
 1090    HG3  ARG2032           HG1      ARG2032  13.524   2.786 -15.592
 1091    HD2  ARG2032           HD2      ARG2032  15.626   3.501 -16.547
 1092    HD3  ARG2032           HD1      ARG2032  14.780   4.316 -17.862
 1093    HE   ARG2032           HE       ARG2032  13.739   5.656 -15.983
 1094   HH11  ARG2032          HH11      ARG2032  17.036   4.348 -15.679
 1095   HH12  ARG2032          HH12      ARG2032  17.630   5.730 -14.877
 1096   HH21  ARG2032          HH21      ARG2032  14.602   7.508 -14.860
 1097   HH22  ARG2032          HH22      ARG2032  16.245   7.523 -14.376
  Start of MODEL    5
    1    H1   MET1885           HT1      MET1885  15.461   8.798   1.115
    2    H2   MET1885           HT2      MET1885  16.708   9.223   2.131
    3    H3   MET1885           HT3      MET1885  16.178  10.311   0.921
    4    HA   MET1885           HA       MET1885  15.463  10.887   3.186
    5    HB2  MET1885           HB2      MET1885  14.165  11.592   1.193
    6    HB3  MET1885           HB1      MET1885  13.258  10.094   1.264
    7    HG2  MET1885           HG2      MET1885  12.280  10.745   3.377
    8    HG3  MET1885           HG1      MET1885  13.255  12.214   3.399
    9    HE1  MET1885           HE1      MET1885  11.789  14.211   0.363
   10    HE2  MET1885           HE2      MET1885  13.160  13.100   0.345
   11    HE3  MET1885           HE3      MET1885  12.951  14.220   1.691
   12    H    LYS1886           HN       LYS1886  14.429  10.270   5.079
   13    HA   LYS1886           HA       LYS1886  13.261   7.603   5.166
   14    HB2  LYS1886           HB2      LYS1886  15.779   7.569   5.730
   15    HB3  LYS1886           HB1      LYS1886  15.361   8.495   7.159
   16    HG2  LYS1886           HG2      LYS1886  13.933   6.655   7.916
   17    HG3  LYS1886           HG1      LYS1886  14.375   5.732   6.477
   18    HD2  LYS1886           HD2      LYS1886  16.760   5.907   7.193
   19    HD3  LYS1886           HD1      LYS1886  16.201   6.650   8.691
   20    HE2  LYS1886           HE2      LYS1886  16.573   4.324   9.106
   21    HE3  LYS1886           HE1      LYS1886  14.835   4.614   9.117
   22    HZ1  LYS1886           HZ1      LYS1886  14.713   3.707   6.842
   23    HZ2  LYS1886           HZ2      LYS1886  15.438   2.598   7.885
   24    HZ3  LYS1886           HZ3      LYS1886  16.384   3.516   6.838
   25    H    SER1887           HN       SER1887  11.429   9.103   5.236
   26    HA   SER1887           HA       SER1887  11.179  11.114   7.154
   27    HB2  SER1887           HB2      SER1887   9.007   9.768   5.558
   28    HB3  SER1887           HB1      SER1887   8.853  11.287   6.434
   29    HG   SER1887           HG       SER1887   9.260  11.676   4.277
   30    H    ASN1888           HN       ASN1888   8.773   8.448   7.053
   31    HA   ASN1888           HA       ASN1888   8.623   8.738   9.978
   32    HB2  ASN1888           HB2      ASN1888   6.844   9.896   8.794
   33    HB3  ASN1888           HB1      ASN1888   6.432   8.391   7.981
   34   HD21  ASN1888          HD21      ASN1888   4.384   8.427   8.755
   35   HD22  ASN1888          HD22      ASN1888   3.983   8.096  10.410
   36    H    VAL1889           HN       VAL1889   8.828   7.052  11.066
   37    HA   VAL1889           HA       VAL1889   7.744   4.562  10.055
   38    HB   VAL1889           HB       VAL1889  10.130   4.219   9.856
   39   HG11  VAL1889          HG11      VAL1889  11.694   4.426  11.732
   40   HG12  VAL1889          HG12      VAL1889  10.395   5.086  12.726
   41   HG13  VAL1889          HG13      VAL1889  10.951   5.969  11.306
   42   HG21  VAL1889          HG21      VAL1889   9.115   2.830  12.337
   43   HG22  VAL1889          HG22      VAL1889  10.504   2.319  11.380
   44   HG23  VAL1889          HG23      VAL1889   8.893   2.299  10.669
   45    H    GLN1890           HN       GLN1890   5.989   4.389  11.122
   46    HA   GLN1890           HA       GLN1890   5.383   5.485  13.621
   47    HB2  GLN1890           HB2      GLN1890   4.004   3.265  12.096
   48    HB3  GLN1890           HB1      GLN1890   3.327   4.043  13.523
   49    HG2  GLN1890           HG2      GLN1890   4.059   5.389  10.957
   50    HG3  GLN1890           HG1      GLN1890   2.438   4.833  11.348
   51   HE21  GLN1890          HE21      GLN1890   1.307   5.906  13.018
   52   HE22  GLN1890          HE22      GLN1890   1.717   7.511  13.484
   53    H    ASN1891           HN       ASN1891   4.988   2.018  13.230
   54    HA   ASN1891           HA       ASN1891   6.252   1.625  15.855
   55    HB2  ASN1891           HB2      ASN1891   3.847   0.986  15.648
   56    HB3  ASN1891           HB1      ASN1891   4.276  -0.136  14.374
   57   HD21  ASN1891          HD21      ASN1891   6.128   0.342  17.365
   58   HD22  ASN1891          HD22      ASN1891   5.771  -1.226  17.991
   59    H    ASP1892           HN       ASP1892   5.693  -0.112  12.805
   60    HA   ASP1892           HA       ASP1892   8.442  -0.414  12.422
   61    HB2  ASP1892           HB2      ASP1892   8.554  -2.920  12.317
   62    HB3  ASP1892           HB1      ASP1892   8.343  -2.278  13.934
   63    H    CYS1893           HN       CYS1893   6.495  -2.929  11.009
   64    HA   CYS1893           HA       CYS1893   6.331  -3.508   8.887
   65    HB2  CYS1893           HB2      CYS1893   4.495  -1.923   8.711
   66    HB3  CYS1893           HB1      CYS1893   5.621  -0.587   8.475
   67    H    ARG1894           HN       ARG1894   8.370  -4.120   8.736
   68    HA   ARG1894           HA       ARG1894   9.956  -2.845   6.765
   69    HB2  ARG1894           HB2      ARG1894  11.981  -2.673   8.217
   70    HB3  ARG1894           HB1      ARG1894  10.755  -1.455   8.527
   71    HG2  ARG1894           HG2      ARG1894  10.039  -2.655  10.521
   72    HG3  ARG1894           HG1      ARG1894  11.197  -3.944  10.183
   73    HD2  ARG1894           HD2      ARG1894  11.957  -2.292  11.902
   74    HD3  ARG1894           HD1      ARG1894  13.045  -2.465  10.522
   75    HE   ARG1894           HE       ARG1894  11.332  -0.383   9.901
   76   HH11  ARG1894          HH11      ARG1894  13.648  -0.928  12.547
   77   HH12  ARG1894          HH12      ARG1894  14.169   0.685  12.547
   78   HH21  ARG1894          HH21      ARG1894  11.968   1.690   9.962
   79   HH22  ARG1894          HH22      ARG1894  13.153   2.282  11.071
   80    H    VAL1895           HN       VAL1895  11.603  -4.211   6.055
   81    HA   VAL1895           HA       VAL1895  11.889  -6.746   7.405
   82    HB   VAL1895           HB       VAL1895  10.028  -7.140   5.832
   83   HG11  VAL1895          HG11      VAL1895  10.466  -5.478   4.170
   84   HG12  VAL1895          HG12      VAL1895  10.344  -7.070   3.420
   85   HG13  VAL1895          HG13      VAL1895  11.929  -6.329   3.661
   86   HG21  VAL1895          HG21      VAL1895  12.573  -8.503   4.980
   87   HG22  VAL1895          HG22      VAL1895  10.941  -9.068   4.629
   88   HG23  VAL1895          HG23      VAL1895  11.509  -8.993   6.298
   89    H    THR1896           HN       THR1896  13.927  -7.470   7.307
   90    HA   THR1896           HA       THR1896  15.815  -5.704   6.037
   91    HB   THR1896           HB       THR1896  16.394  -8.116   7.752
   92    HG1  THR1896           HG1      THR1896  15.089  -6.927   9.011
   93   HG21  THR1896          HG21      THR1896  18.293  -7.075   6.555
   94   HG22  THR1896          HG22      THR1896  18.430  -6.838   8.298
   95   HG23  THR1896          HG23      THR1896  17.880  -5.516   7.267
   96    H    ASN1897           HN       ASN1897  16.777  -6.178   4.150
   97    HA   ASN1897           HA       ASN1897  16.693  -8.930   3.176
   98    HB2  ASN1897           HB2      ASN1897  15.858  -7.167   1.631
   99    HB3  ASN1897           HB1      ASN1897  17.417  -6.360   1.723
  100   HD21  ASN1897          HD21      ASN1897  15.964  -7.482  -0.577
  101   HD22  ASN1897          HD22      ASN1897  17.045  -8.645  -1.273
  102    HA   PRO1898           HA       PRO1898  20.873  -8.948   4.786
  103    HB2  PRO1898           HB2      PRO1898  21.296 -11.597   4.418
  104    HB3  PRO1898           HB1      PRO1898  20.346 -10.948   5.758
  105    HG2  PRO1898           HG2      PRO1898  19.412 -12.115   3.165
  106    HG3  PRO1898           HG1      PRO1898  18.790 -12.388   4.806
  107    HD2  PRO1898           HD2      PRO1898  17.606 -10.707   3.054
  108    HD3  PRO1898           HD1      PRO1898  17.591 -10.425   4.807
  109    H    ALA1899           HN       ALA1899  19.862 -10.183   1.652
  110    HA   ALA1899           HA       ALA1899  22.504 -10.684   0.689
  111    HB1  ALA1899           HB1      ALA1899  21.425 -11.080  -1.459
  112    HB2  ALA1899           HB2      ALA1899  19.915 -10.416  -0.833
  113    HB3  ALA1899           HB3      ALA1899  20.564 -11.912  -0.166
  114    H    THR1900           HN       THR1900  20.169  -8.092   0.356
  115    HA   THR1900           HA       THR1900  22.008  -6.582  -1.301
  116    HB   THR1900           HB       THR1900  19.392  -5.602  -0.121
  117    HG1  THR1900           HG1      THR1900  18.813  -6.390  -2.469
  118   HG21  THR1900          HG21      THR1900  20.882  -4.951  -2.671
  119   HG22  THR1900          HG22      THR1900  20.845  -3.943  -1.226
  120   HG23  THR1900          HG23      THR1900  19.365  -4.225  -2.144
  121    H    GLY1901           HN       GLY1901  21.132  -6.917   2.016
  122    HA2  GLY1901           HA2      GLY1901  22.088  -6.017   3.906
  123    HA3  GLY1901           HA1      GLY1901  23.122  -5.025   2.878
  124    H    HIS1902           HN       HIS1902  19.907  -4.923   2.065
  125    HA   HIS1902           HA       HIS1902  19.691  -2.214   3.193
  126    HB2  HIS1902           HB2      HIS1902  19.874  -2.414   0.668
  127    HB3  HIS1902           HB1      HIS1902  18.348  -3.277   0.691
  128    HD1  HIS1902           HD1      HIS1902  19.596  -0.058  -0.038
  129    HD2  HIS1902           HD2      HIS1902  16.295  -1.406   2.102
  130    HE1  HIS1902           HE1      HIS1902  18.006   1.833  -0.007
  131    HE2  HIS1902           HE2      HIS1902  16.443   1.122   1.781
  132    H    LEU1903           HN       LEU1903  18.474  -2.491   4.972
  133    HA   LEU1903           HA       LEU1903  16.222  -4.223   5.110
  134    HB2  LEU1903           HB2      LEU1903  17.506  -3.433   7.100
  135    HB3  LEU1903           HB1      LEU1903  16.988  -1.799   6.786
  136    HG   LEU1903           HG       LEU1903  15.020  -3.990   7.503
  137   HD11  LEU1903          HD11      LEU1903  15.158  -3.173   9.805
  138   HD12  LEU1903          HD12      LEU1903  16.481  -2.100   9.348
  139   HD13  LEU1903          HD13      LEU1903  16.695  -3.850   9.269
  140   HD21  LEU1903          HD21      LEU1903  13.680  -2.083   8.290
  141   HD22  LEU1903          HD22      LEU1903  14.041  -1.963   6.566
  142   HD23  LEU1903          HD23      LEU1903  14.932  -0.977   7.723
  143    H    PHE1904           HN       PHE1904  14.155  -3.812   4.453
  144    HA   PHE1904           HA       PHE1904  13.809  -1.349   2.946
  145    HB2  PHE1904           HB2      PHE1904  12.017  -3.777   3.068
  146    HB3  PHE1904           HB1      PHE1904  11.877  -2.434   1.956
  147    HD1  PHE1904           HD2      PHE1904  14.872  -2.245   1.256
  148    HD2  PHE1904           HD1      PHE1904  12.168  -5.515   1.531
  149    HE1  PHE1904           HE2      PHE1904  16.209  -3.490  -0.396
  150    HE2  PHE1904           HE1      PHE1904  13.472  -6.759  -0.104
  151    HZ   PHE1904           HZ       PHE1904  15.514  -5.749  -1.086
  152    H    ASP1905           HN       ASP1905  12.904   0.263   3.965
  153    HA   ASP1905           HA       ASP1905  10.508  -0.203   5.528
  154    HB2  ASP1905           HB2      ASP1905  12.483   0.083   7.131
  155    HB3  ASP1905           HB1      ASP1905  12.656   1.715   6.487
  156    H    LEU1906           HN       LEU1906   9.048   1.034   4.773
  157    HA   LEU1906           HA       LEU1906   9.637   2.953   2.681
  158    HB2  LEU1906           HB2      LEU1906   7.036   1.924   3.778
  159    HB3  LEU1906           HB1      LEU1906   7.239   2.863   2.312
  160    HG   LEU1906           HG       LEU1906   8.421   0.125   2.752
  161   HD11  LEU1906          HD11      LEU1906   6.686  -0.661   1.243
  162   HD12  LEU1906          HD12      LEU1906   5.976   0.953   1.221
  163   HD13  LEU1906          HD13      LEU1906   6.003   0.021   2.720
  164   HD21  LEU1906          HD21      LEU1906   8.807   0.180   0.334
  165   HD22  LEU1906          HD22      LEU1906   9.664   1.488   1.151
  166   HD23  LEU1906          HD23      LEU1906   8.179   1.827   0.266
  167    H    THR1907           HN       THR1907  10.567   4.123   4.831
  168    HA   THR1907           HA       THR1907   8.921   5.472   6.597
  169    HB   THR1907           HB       THR1907  10.901   7.121   6.637
  170    HG1  THR1907           HG1      THR1907  12.508   5.197   5.523
  171   HG21  THR1907          HG21      THR1907  11.309   4.185   7.247
  172   HG22  THR1907          HG22      THR1907  10.553   5.364   8.319
  173   HG23  THR1907          HG23      THR1907  12.263   5.510   7.911
  174    H    SER1908           HN       SER1908  10.155   6.626   3.455
  175    HA   SER1908           HA       SER1908   9.123   9.216   3.631
  176    HB2  SER1908           HB2      SER1908   9.630   7.581   1.150
  177    HB3  SER1908           HB1      SER1908   9.590   9.340   1.269
  178    HG   SER1908           HG       SER1908  11.686   8.596   1.285
  179    H    LEU1909           HN       LEU1909   7.501   6.179   2.970
  180    HA   LEU1909           HA       LEU1909   5.424   7.333   1.465
  181    HB2  LEU1909           HB2      LEU1909   6.285   4.653   2.391
  182    HB3  LEU1909           HB1      LEU1909   4.709   4.937   1.722
  183    HG   LEU1909           HG       LEU1909   5.860   5.713  -0.409
  184   HD11  LEU1909          HD11      LEU1909   8.335   4.613   0.910
  185   HD12  LEU1909          HD12      LEU1909   8.035   6.304   0.513
  186   HD13  LEU1909          HD13      LEU1909   8.190   5.110  -0.777
  187   HD21  LEU1909          HD21      LEU1909   6.463   3.463  -1.168
  188   HD22  LEU1909          HD22      LEU1909   4.949   3.501  -0.268
  189   HD23  LEU1909          HD23      LEU1909   6.413   2.899   0.504
  190    H    LYS1910           HN       LYS1910   5.826   5.595   4.563
  191    HA   LYS1910           HA       LYS1910   3.201   5.664   5.557
  192    HB2  LYS1910           HB2      LYS1910   5.682   5.982   7.291
  193    HB3  LYS1910           HB1      LYS1910   4.132   5.286   7.730
  194    HG2  LYS1910           HG2      LYS1910   4.492   3.366   6.415
  195    HG3  LYS1910           HG1      LYS1910   5.899   4.082   5.633
  196    HD2  LYS1910           HD2      LYS1910   7.048   4.104   7.836
  197    HD3  LYS1910           HD1      LYS1910   5.638   3.294   8.524
  198    HE2  LYS1910           HE2      LYS1910   5.951   1.364   7.143
  199    HE3  LYS1910           HE1      LYS1910   7.186   2.174   6.189
  200    HZ1  LYS1910           HZ1      LYS1910   8.690   2.087   8.027
  201    HZ2  LYS1910           HZ2      LYS1910   8.090   0.557   7.792
  202    HZ3  LYS1910           HZ3      LYS1910   7.531   1.446   9.080
  203    H    ARG1911           HN       ARG1911   1.921   7.388   6.197
  204    HA   ARG1911           HA       ARG1911   3.304   9.779   7.121
  205    HB2  ARG1911           HB2      ARG1911   1.964  11.221   5.662
  206    HB3  ARG1911           HB1      ARG1911   3.008  10.134   4.759
  207    HG2  ARG1911           HG2      ARG1911   1.011   8.645   4.455
  208    HG3  ARG1911           HG1      ARG1911   0.038   9.947   5.143
  209    HD2  ARG1911           HD2      ARG1911   1.773  10.128   2.691
  210    HD3  ARG1911           HD1      ARG1911   0.020  10.006   2.708
  211    HE   ARG1911           HE       ARG1911   0.676  12.219   4.234
  212   HH11  ARG1911          HH11      ARG1911   0.940  11.159   0.877
  213   HH12  ARG1911          HH12      ARG1911   0.959  12.729   0.211
  214   HH21  ARG1911          HH21      ARG1911   0.711  14.420   3.322
  215   HH22  ARG1911          HH22      ARG1911   0.894  14.618   1.639
  216    H    GLU1912           HN       GLU1912   1.373  11.505   7.535
  217    HA   GLU1912           HA       GLU1912   0.046  10.451   9.849
  218    HB2  GLU1912           HB2      GLU1912   1.135  12.652   9.809
  219    HB3  GLU1912           HB1      GLU1912   0.021  13.194   8.575
  220    HG2  GLU1912           HG2      GLU1912  -0.575  14.107  10.724
  221    HG3  GLU1912           HG1      GLU1912  -1.826  12.996  10.171
  222    H    SER1913           HN       SER1913  -1.006  11.870   6.738
  223    HA   SER1913           HA       SER1913  -3.768  11.517   7.442
  224    HB2  SER1913           HB2      SER1913  -4.071  12.626   5.185
  225    HB3  SER1913           HB1      SER1913  -3.199  13.566   6.402
  226    HG   SER1913           HG       SER1913  -2.237  13.455   4.212
  227    H    GLY1914           HN       GLY1914  -2.170  10.842   4.387
  228    HA2  GLY1914           HA2      GLY1914  -2.305   8.122   4.136
  229    HA3  GLY1914           HA1      GLY1914  -3.923   8.705   3.697
  230    H    TYR1915           HN       TYR1915  -2.136   7.454   1.821
  231    HA   TYR1915           HA       TYR1915  -1.194   9.718   0.215
  232    HB2  TYR1915           HB2      TYR1915   0.294   7.642   0.832
  233    HB3  TYR1915           HB1      TYR1915  -0.684   6.792  -0.356
  234    HD1  TYR1915           HD2      TYR1915  -0.683   7.631  -2.740
  235    HD2  TYR1915           HD1      TYR1915   2.108   9.027   0.152
  236    HE1  TYR1915           HE2      TYR1915   0.777   8.439  -4.546
  237    HE2  TYR1915           HE1      TYR1915   3.567   9.839  -1.649
  238    HH   TYR1915           HH       TYR1915   2.577  10.252  -4.774
  239    H    THR1916           HN       THR1916  -1.932   9.910  -1.927
  240    HA   THR1916           HA       THR1916  -4.442   8.425  -2.465
  241    HB   THR1916           HB       THR1916  -4.930  10.712  -1.616
  242    HG1  THR1916           HG1      THR1916  -6.493  10.335  -2.908
  243   HG21  THR1916          HG21      THR1916  -3.351  11.592  -4.023
  244   HG22  THR1916          HG22      THR1916  -2.894  11.826  -2.339
  245   HG23  THR1916          HG23      THR1916  -4.313  12.659  -2.993
  246    H    ILE1917           HN       ILE1917  -5.004   7.948  -4.132
  247    HA   ILE1917           HA       ILE1917  -3.646   8.571  -6.564
  248    HB   ILE1917           HB       ILE1917  -3.939   6.111  -7.076
  249   HG12  ILE1917          HG12      ILE1917  -3.443   5.863  -4.108
  250   HG13  ILE1917          HG11      ILE1917  -4.891   5.370  -4.973
  251   HG21  ILE1917          HG21      ILE1917  -1.545   5.647  -6.529
  252   HG22  ILE1917          HG22      ILE1917  -1.542   7.126  -5.571
  253   HG23  ILE1917          HG23      ILE1917  -1.830   7.200  -7.309
  254   HD11  ILE1917          HD11      ILE1917  -2.149   4.162  -5.280
  255   HD12  ILE1917          HD12      ILE1917  -3.601   3.655  -6.144
  256   HD13  ILE1917          HD13      ILE1917  -3.503   3.458  -4.394
  257    H    THR1918           HN       THR1918  -4.997   7.508  -8.335
  258    HA   THR1918           HA       THR1918  -7.774   7.953  -7.637
  259    HB   THR1918           HB       THR1918  -6.599   7.321 -10.363
  260    HG1  THR1918           HG1      THR1918  -5.498   9.047  -9.742
  261   HG21  THR1918          HG21      THR1918  -8.531   8.612 -11.164
  262   HG22  THR1918          HG22      THR1918  -9.037   8.903  -9.501
  263   HG23  THR1918          HG23      THR1918  -9.067   7.266 -10.156
  264    H    ASP1919           HN       ASP1919  -9.364   6.345  -8.039
  265    HA   ASP1919           HA       ASP1919  -8.383   3.670  -7.655
  266    HB2  ASP1919           HB2      ASP1919 -10.460   3.117  -6.850
  267    HB3  ASP1919           HB1      ASP1919 -10.590   4.832  -6.571
  268    H    SER1920           HN       SER1920 -10.335   2.250  -9.009
  269    HA   SER1920           HA       SER1920  -9.141   1.650 -11.386
  270    HB2  SER1920           HB2      SER1920 -10.692   0.260 -10.077
  271    HB3  SER1920           HB1      SER1920 -12.008   1.307 -10.623
  272    HG   SER1920           HG       SER1920 -10.392   0.356 -12.644
  273    H    HIS1921           HN       HIS1921 -11.643   4.169 -10.790
  274    HA   HIS1921           HA       HIS1921 -11.435   4.801 -13.618
  275    HB2  HIS1921           HB2      HIS1921 -13.101   2.987 -13.495
  276    HB3  HIS1921           HB1      HIS1921 -14.108   4.011 -12.487
  277    HD1  HIS1921           HD1      HIS1921 -12.671   3.887 -15.991
  278    HD2  HIS1921           HD2      HIS1921 -15.794   5.654 -13.894
  279    HE1  HIS1921           HE1      HIS1921 -14.109   4.961 -17.717
  280    HE2  HIS1921           HE2      HIS1921 -16.127   5.701 -16.467
  281    H    ASN1922           HN       ASN1922 -12.413   5.902 -10.399
  282    HA   ASN1922           HA       ASN1922 -12.946   8.537 -11.586
  283    HB2  ASN1922           HB2      ASN1922 -15.024   7.210 -11.679
  284    HB3  ASN1922           HB1      ASN1922 -14.929   7.018  -9.964
  285   HD21  ASN1922          HD21      ASN1922 -15.471   9.411 -12.468
  286   HD22  ASN1922          HD22      ASN1922 -16.163  10.560 -11.373
  287    H    ARG1923           HN       ARG1923 -13.205   6.576  -8.813
  288    HA   ARG1923           HA       ARG1923 -13.176   8.740  -6.907
  289    HB2  ARG1923           HB2      ARG1923 -12.859   5.796  -6.373
  290    HB3  ARG1923           HB1      ARG1923 -13.312   7.040  -5.221
  291    HG2  ARG1923           HG2      ARG1923 -14.881   6.009  -7.543
  292    HG3  ARG1923           HG1      ARG1923 -15.240   5.802  -5.835
  293    HD2  ARG1923           HD2      ARG1923 -15.363   8.359  -5.674
  294    HD3  ARG1923           HD1      ARG1923 -15.405   8.361  -7.439
  295    HE   ARG1923           HE       ARG1923 -17.316   6.605  -6.274
  296   HH11  ARG1923          HH11      ARG1923 -16.918  10.014  -7.396
  297   HH12  ARG1923          HH12      ARG1923 -18.572  10.337  -7.209
  298   HH21  ARG1923          HH21      ARG1923 -19.476   7.110  -6.056
  299   HH22  ARG1923          HH22      ARG1923 -20.099   8.644  -6.449
  300    H    LYS1924           HN       LYS1924 -11.683   8.451  -4.950
  301    HA   LYS1924           HA       LYS1924  -8.979   7.939  -5.894
  302    HB2  LYS1924           HB2      LYS1924  -9.997   9.838  -3.791
  303    HB3  LYS1924           HB1      LYS1924  -8.300   9.408  -3.952
  304    HG2  LYS1924           HG2      LYS1924  -8.302  10.305  -6.230
  305    HG3  LYS1924           HG1      LYS1924  -9.996  10.761  -6.034
  306    HD2  LYS1924           HD2      LYS1924  -9.436  12.278  -4.257
  307    HD3  LYS1924           HD1      LYS1924  -7.759  11.725  -4.260
  308    HE2  LYS1924           HE2      LYS1924  -7.483  12.590  -6.526
  309    HE3  LYS1924           HE1      LYS1924  -9.159  13.135  -6.524
  310    HZ1  LYS1924           HZ1      LYS1924  -7.186  14.069  -4.524
  311    HZ2  LYS1924           HZ2      LYS1924  -8.668  14.796  -4.930
  312    HZ3  LYS1924           HZ3      LYS1924  -7.379  14.800  -6.025
  313    H    ILE1925           HN       ILE1925  -7.634   6.782  -4.689
  314    HA   ILE1925           HA       ILE1925  -8.878   5.067  -2.692
  315    HB   ILE1925           HB       ILE1925  -6.124   4.763  -3.925
  316   HG12  ILE1925          HG12      ILE1925  -8.707   3.441  -4.744
  317   HG13  ILE1925          HG11      ILE1925  -7.866   4.692  -5.656
  318   HG21  ILE1925          HG21      ILE1925  -7.949   2.845  -2.463
  319   HG22  ILE1925          HG22      ILE1925  -6.504   3.604  -1.800
  320   HG23  ILE1925          HG23      ILE1925  -6.364   2.447  -3.125
  321   HD11  ILE1925          HD11      ILE1925  -6.782   1.930  -5.057
  322   HD12  ILE1925          HD12      ILE1925  -5.944   3.181  -5.959
  323   HD13  ILE1925          HD13      ILE1925  -7.414   2.466  -6.612
  324    H    GLU1926           HN       GLU1926  -8.714   5.906  -0.845
  325    HA   GLU1926           HA       GLU1926  -6.477   7.595  -0.023
  326    HB2  GLU1926           HB2      GLU1926  -8.923   7.981   0.624
  327    HB3  GLU1926           HB1      GLU1926  -8.790   6.551   1.628
  328    HG2  GLU1926           HG2      GLU1926  -8.538   8.414   3.046
  329    HG3  GLU1926           HG1      GLU1926  -6.933   7.708   2.851
  330    H    LEU1927           HN       LEU1927  -4.678   6.286   0.271
  331    HA   LEU1927           HA       LEU1927  -5.046   4.223   2.225
  332    HB2  LEU1927           HB2      LEU1927  -3.501   2.617   0.930
  333    HB3  LEU1927           HB1      LEU1927  -5.154   2.788   0.456
  334    HG   LEU1927           HG       LEU1927  -4.497   4.164  -1.481
  335   HD11  LEU1927          HD11      LEU1927  -1.656   3.557  -0.691
  336   HD12  LEU1927          HD12      LEU1927  -2.434   5.145  -0.661
  337   HD13  LEU1927          HD13      LEU1927  -2.201   4.306  -2.196
  338   HD21  LEU1927          HD21      LEU1927  -4.799   1.827  -1.787
  339   HD22  LEU1927          HD22      LEU1927  -3.182   1.491  -1.199
  340   HD23  LEU1927          HD23      LEU1927  -3.399   2.332  -2.741
  341    H    ASN1928           HN       ASN1928  -3.725   4.125   3.749
  342    HA   ASN1928           HA       ASN1928  -1.244   5.655   3.440
  343    HB2  ASN1928           HB2      ASN1928  -2.953   6.551   5.113
  344    HB3  ASN1928           HB1      ASN1928  -2.666   5.103   6.066
  345   HD21  ASN1928          HD21      ASN1928  -1.983   6.527   7.776
  346   HD22  ASN1928          HD22      ASN1928  -0.417   7.231   7.741
  347    H    VAL1929           HN       VAL1929   0.489   4.530   3.454
  348    HA   VAL1929           HA       VAL1929   0.215   1.692   3.860
  349    HB   VAL1929           HB       VAL1929   1.189   2.369   1.763
  350   HG11  VAL1929          HG11      VAL1929   3.276   3.462   1.560
  351   HG12  VAL1929          HG12      VAL1929   3.357   3.696   3.319
  352   HG13  VAL1929          HG13      VAL1929   2.092   4.494   2.369
  353   HG21  VAL1929          HG21      VAL1929   2.005   0.275   2.680
  354   HG22  VAL1929          HG22      VAL1929   3.288   1.135   3.531
  355   HG23  VAL1929          HG23      VAL1929   3.278   1.090   1.769
  356    H    CYS1930           HN       CYS1930   0.762   0.676   5.503
  357    HA   CYS1930           HA       CYS1930   1.570   0.005   7.470
  358    HB2  CYS1930           HB2      CYS1930   4.030   1.224   6.298
  359    HB3  CYS1930           HB1      CYS1930   4.039   0.297   7.802
  360    H    ALA1931           HN       ALA1931   0.569   2.749   7.232
  361    HA   ALA1931           HA       ALA1931   1.029   3.430   9.973
  362    HB1  ALA1931           HB1      ALA1931   1.120   5.335   7.614
  363    HB2  ALA1931           HB2      ALA1931   2.468   4.944   8.677
  364    HB3  ALA1931           HB3      ALA1931   1.074   5.830   9.309
  365    H    GLU1932           HN       GLU1932  -0.870   3.594  10.793
  366    HA   GLU1932           HA       GLU1932  -3.173   2.859   9.458
  367    HB2  GLU1932           HB2      GLU1932  -4.380   3.475  11.502
  368    HB3  GLU1932           HB1      GLU1932  -2.889   2.624  11.859
  369    HG2  GLU1932           HG2      GLU1932  -1.939   5.073  12.120
  370    HG3  GLU1932           HG1      GLU1932  -3.674   5.405  12.307
  371    H    ALA1933           HN       ALA1933  -4.732   3.803   8.320
  372    HA   ALA1933           HA       ALA1933  -4.218   6.394   7.229
  373    HB1  ALA1933           HB1      ALA1933  -6.128   5.961   5.782
  374    HB2  ALA1933           HB2      ALA1933  -6.564   4.556   6.755
  375    HB3  ALA1933           HB3      ALA1933  -5.059   4.561   5.836
  376    H    LYS1934           HN       LYS1934  -5.079   8.259   7.710
  377    HA   LYS1934           HA       LYS1934  -7.033   8.201   9.885
  378    HB2  LYS1934           HB2      LYS1934  -4.800   9.091  10.407
  379    HB3  LYS1934           HB1      LYS1934  -5.062  10.369   9.229
  380    HG2  LYS1934           HG2      LYS1934  -6.774  11.331  10.519
  381    HG3  LYS1934           HG1      LYS1934  -6.877   9.920  11.568
  382    HD2  LYS1934           HD2      LYS1934  -4.510  11.789  11.368
  383    HD3  LYS1934           HD1      LYS1934  -5.729  11.827  12.639
  384    HE2  LYS1934           HE2      LYS1934  -3.984  10.632  13.627
  385    HE3  LYS1934           HE1      LYS1934  -5.056   9.361  13.055
  386    HZ1  LYS1934           HZ1      LYS1934  -3.531   9.143  11.068
  387    HZ2  LYS1934           HZ2      LYS1934  -2.801   8.820  12.562
  388    HZ3  LYS1934           HZ3      LYS1934  -2.540  10.307  11.824
  389    H    SER1935           HN       SER1935  -6.327   9.688   6.772
  390    HA   SER1935           HA       SER1935  -8.411  11.580   6.866
  391    HB2  SER1935           HB2      SER1935  -7.069  10.318   4.488
  392    HB3  SER1935           HB1      SER1935  -7.974  11.831   4.512
  393    HG   SER1935           HG       SER1935  -5.787  12.170   4.598
  394    H    SER1936           HN       SER1936 -10.486  11.039   6.990
  395    HA   SER1936           HA       SER1936 -12.505  10.340   6.441
  396    HB2  SER1936           HB2      SER1936 -11.207   9.292   3.932
  397    HB3  SER1936           HB1      SER1936 -12.951   9.459   4.187
  398    HG   SER1936           HG       SER1936 -11.891  11.732   4.902
  399    H    CYS1937           HN       CYS1937 -10.089   7.834   6.369
  400    HA   CYS1937           HA       CYS1937 -11.896   5.721   6.586
  401    HB2  CYS1937           HB2      CYS1937  -9.045   5.807   7.618
  402    HB3  CYS1937           HB1      CYS1937  -9.982   4.349   7.305
  403    H    ALA1938           HN       ALA1938  -9.565   6.298   9.273
  404    HA   ALA1938           HA       ALA1938 -11.018   7.531  11.176
  405    HB1  ALA1938           HB1      ALA1938 -11.486   4.550  11.489
  406    HB2  ALA1938           HB2      ALA1938 -12.731   5.751  11.129
  407    HB3  ALA1938           HB3      ALA1938 -11.875   5.790  12.672
  408    H    ASN1939           HN       ASN1939  -9.736   4.315  11.856
  409    HA   ASN1939           HA       ASN1939  -7.658   5.652  13.249
  410    HB2  ASN1939           HB2      ASN1939  -9.239   5.063  14.892
  411    HB3  ASN1939           HB1      ASN1939  -9.486   3.470  14.204
  412   HD21  ASN1939          HD21      ASN1939  -8.197   1.803  14.859
  413   HD22  ASN1939          HD22      ASN1939  -6.990   1.972  16.072
  414    H    GLY1940           HN       GLY1940  -8.471   2.237  12.603
  415    HA2  GLY1940           HA2      GLY1940  -5.629   1.772  12.087
  416    HA3  GLY1940           HA1      GLY1940  -6.762   0.593  12.718
  417    H    ALA1941           HN       ALA1941  -8.100   2.354  10.217
  418    HA   ALA1941           HA       ALA1941  -7.940   0.124   8.400
  419    HB1  ALA1941           HB1      ALA1941  -8.961   2.933   7.923
  420    HB2  ALA1941           HB2      ALA1941  -9.938   1.563   8.449
  421    HB3  ALA1941           HB3      ALA1941  -9.202   1.556   6.847
  422    H    ALA1942           HN       ALA1942  -7.127   0.530   6.061
  423    HA   ALA1942           HA       ALA1942  -4.835   2.350   6.098
  424    HB1  ALA1942           HB1      ALA1942  -4.691  -0.500   5.129
  425    HB2  ALA1942           HB2      ALA1942  -3.993   0.110   6.630
  426    HB3  ALA1942           HB3      ALA1942  -3.391   0.690   5.074
  427    H    VAL1943           HN       VAL1943  -6.765   0.178   4.048
  428    HA   VAL1943           HA       VAL1943  -6.355   2.091   1.855
  429    HB   VAL1943           HB       VAL1943  -7.136  -0.836   1.679
  430   HG11  VAL1943          HG11      VAL1943  -6.751  -0.589  -0.735
  431   HG12  VAL1943          HG12      VAL1943  -6.445   1.133  -0.501
  432   HG13  VAL1943          HG13      VAL1943  -8.044   0.470  -0.168
  433   HG21  VAL1943          HG21      VAL1943  -4.896  -1.191   0.756
  434   HG22  VAL1943          HG22      VAL1943  -4.851  -0.578   2.415
  435   HG23  VAL1943          HG23      VAL1943  -4.515   0.509   1.066
  436    H    CYS1944           HN       CYS1944  -8.020   3.338   1.575
  437    HA   CYS1944           HA       CYS1944 -10.704   2.239   1.966
  438    HB2  CYS1944           HB2      CYS1944  -9.725   5.021   2.561
  439    HB3  CYS1944           HB1      CYS1944 -11.377   4.449   2.736
  440    H    ILE1945           HN       ILE1945 -11.567   2.057   0.017
  441    HA   ILE1945           HA       ILE1945 -10.965   3.893  -2.140
  442    HB   ILE1945           HB       ILE1945 -13.247   1.888  -1.905
  443   HG12  ILE1945          HG12      ILE1945 -11.106   0.708  -1.642
  444   HG13  ILE1945          HG11      ILE1945 -11.872   0.290  -3.168
  445   HG21  ILE1945          HG21      ILE1945 -13.603   3.536  -3.650
  446   HG22  ILE1945          HG22      ILE1945 -13.287   1.954  -4.364
  447   HG23  ILE1945          HG23      ILE1945 -12.020   3.178  -4.342
  448   HD11  ILE1945          HD11      ILE1945  -9.476   0.567  -3.424
  449   HD12  ILE1945          HD12      ILE1945  -9.584   2.211  -2.797
  450   HD13  ILE1945          HD13      ILE1945 -10.343   1.803  -4.336
  451    H    THR1946           HN       THR1946 -11.773   5.963  -1.835
  452    HA   THR1946           HA       THR1946 -14.109   6.110  -0.116
  453    HB   THR1946           HB       THR1946 -12.730   8.606  -1.036
  454    HG1  THR1946           HG1      THR1946 -11.464   6.456   0.131
  455   HG21  THR1946          HG21      THR1946 -13.161   9.257   1.275
  456   HG22  THR1946          HG22      THR1946 -13.609   7.619   1.696
  457   HG23  THR1946          HG23      THR1946 -14.645   8.563   0.613
  458    H    ASP1947           HN       ASP1947 -15.855   5.758  -1.278
  459    HA   ASP1947           HA       ASP1947 -16.141   6.882  -3.963
  460    HB2  ASP1947           HB2      ASP1947 -16.783   4.497  -3.573
  461    HB3  ASP1947           HB1      ASP1947 -17.985   5.037  -2.406
  462    H    GLY1948           HN       GLY1948 -16.492   9.021  -3.633
  463    HA2  GLY1948           HA2      GLY1948 -17.615  10.927  -3.059
  464    HA3  GLY1948           HA1      GLY1948 -19.018   9.907  -2.727
  465    HA   PRO1949           HA       PRO1949 -17.823  10.702   1.530
  466    HB2  PRO1949           HB2      PRO1949 -20.338  10.713   2.519
  467    HB3  PRO1949           HB1      PRO1949 -19.659  12.092   1.645
  468    HG2  PRO1949           HG2      PRO1949 -21.754  10.223   0.811
  469    HG3  PRO1949           HG1      PRO1949 -21.324  11.797   0.127
  470    HD2  PRO1949           HD2      PRO1949 -20.573   9.130  -0.786
  471    HD3  PRO1949           HD1      PRO1949 -20.348  10.691  -1.600
  472    H    LYS1950           HN       LYS1950 -18.465   7.939   0.061
  473    HA   LYS1950           HA       LYS1950 -19.141   6.369   2.460
  474    HB2  LYS1950           HB2      LYS1950 -20.536   6.095   0.358
  475    HB3  LYS1950           HB1      LYS1950 -19.099   5.475  -0.438
  476    HG2  LYS1950           HG2      LYS1950 -20.483   3.639   0.224
  477    HG3  LYS1950           HG1      LYS1950 -19.033   3.639   1.233
  478    HD2  LYS1950           HD2      LYS1950 -20.283   4.783   3.006
  479    HD3  LYS1950           HD1      LYS1950 -21.731   4.747   2.005
  480    HE2  LYS1950           HE2      LYS1950 -21.659   2.295   2.018
  481    HE3  LYS1950           HE1      LYS1950 -20.220   2.350   3.036
  482    HZ1  LYS1950           HZ1      LYS1950 -21.558   3.524   4.723
  483    HZ2  LYS1950           HZ2      LYS1950 -22.151   1.979   4.379
  484    HZ3  LYS1950           HZ3      LYS1950 -22.921   3.352   3.739
  485    H    THR1951           HN       THR1951 -17.563   5.025   3.298
  486    HA   THR1951           HA       THR1951 -14.993   5.120   1.920
  487    HB   THR1951           HB       THR1951 -15.561   4.669   4.861
  488    HG1  THR1951           HG1      THR1951 -15.975   6.748   4.757
  489   HG21  THR1951          HG21      THR1951 -13.018   5.362   3.371
  490   HG22  THR1951          HG22      THR1951 -13.397   3.791   4.081
  491   HG23  THR1951          HG23      THR1951 -13.177   5.199   5.120
  492    H    LEU1952           HN       LEU1952 -14.652   3.261   0.853
  493    HA   LEU1952           HA       LEU1952 -15.661   0.757   1.942
  494    HB2  LEU1952           HB2      LEU1952 -16.048   1.140  -0.420
  495    HB3  LEU1952           HB1      LEU1952 -14.343   1.423  -0.693
  496    HG   LEU1952           HG       LEU1952 -13.871  -0.938  -0.167
  497   HD11  LEU1952          HD11      LEU1952 -15.698  -2.544   0.027
  498   HD12  LEU1952          HD12      LEU1952 -16.863  -1.221   0.028
  499   HD13  LEU1952          HD13      LEU1952 -15.713  -1.383   1.355
  500   HD21  LEU1952          HD21      LEU1952 -14.246  -0.274  -2.480
  501   HD22  LEU1952          HD22      LEU1952 -15.978  -0.542  -2.289
  502   HD23  LEU1952          HD23      LEU1952 -14.860  -1.900  -2.189
  503    H    ASN1953           HN       ASN1953 -14.422  -0.188   3.379
  504    HA   ASN1953           HA       ASN1953 -11.561   0.262   3.414
  505    HB2  ASN1953           HB2      ASN1953 -13.266  -1.488   5.196
  506    HB3  ASN1953           HB1      ASN1953 -11.560  -1.169   5.425
  507   HD21  ASN1953          HD21      ASN1953 -11.759   1.700   4.796
  508   HD22  ASN1953          HD22      ASN1953 -12.635   2.372   6.126
  509    H    ALA1954           HN       ALA1954 -10.587  -0.766   1.817
  510    HA   ALA1954           HA       ALA1954 -11.297  -3.509   1.169
  511    HB1  ALA1954           HB1      ALA1954  -9.196  -1.685  -0.017
  512    HB2  ALA1954           HB2      ALA1954 -10.818  -1.941  -0.660
  513    HB3  ALA1954           HB3      ALA1954  -9.655  -3.269  -0.642
  514    H    GLY1955           HN       GLY1955  -9.014  -1.699   2.978
  515    HA2  GLY1955           HA2      GLY1955  -7.818  -4.157   3.900
  516    HA3  GLY1955           HA1      GLY1955  -6.737  -3.018   3.109
  517    H    LYS1956           HN       LYS1956  -7.523  -4.068   5.955
  518    HA   LYS1956           HA       LYS1956  -7.558  -1.572   7.437
  519    HB2  LYS1956           HB2      LYS1956  -7.659  -2.982   9.372
  520    HB3  LYS1956           HB1      LYS1956  -8.668  -3.773   8.172
  521    HG2  LYS1956           HG2      LYS1956  -6.561  -5.145   7.603
  522    HG3  LYS1956           HG1      LYS1956  -5.941  -4.558   9.142
  523    HD2  LYS1956           HD2      LYS1956  -8.470  -6.129   8.701
  524    HD3  LYS1956           HD1      LYS1956  -6.962  -6.746   9.367
  525    HE2  LYS1956           HE2      LYS1956  -7.207  -5.293  11.296
  526    HE3  LYS1956           HE1      LYS1956  -8.672  -4.590  10.607
  527    HZ1  LYS1956           HZ1      LYS1956  -9.216  -6.342  12.210
  528    HZ2  LYS1956           HZ2      LYS1956  -8.295  -7.438  11.312
  529    HZ3  LYS1956           HZ3      LYS1956  -9.686  -6.770  10.636
  530    H    LEU1957           HN       LEU1957  -5.691  -1.247   9.021
  531    HA   LEU1957           HA       LEU1957  -3.254  -1.271   7.646
  532    HB2  LEU1957           HB2      LEU1957  -3.620   0.381   9.302
  533    HB3  LEU1957           HB1      LEU1957  -3.918  -0.824  10.537
  534    HG   LEU1957           HG       LEU1957  -1.540  -1.550  10.296
  535   HD11  LEU1957          HD11      LEU1957  -1.061  -0.710   8.092
  536   HD12  LEU1957          HD12      LEU1957   0.044  -0.029   9.292
  537   HD13  LEU1957          HD13      LEU1957  -1.280   0.950   8.657
  538   HD21  LEU1957          HD21      LEU1957  -2.049   1.283  11.085
  539   HD22  LEU1957          HD22      LEU1957  -0.649   0.307  11.559
  540   HD23  LEU1957          HD23      LEU1957  -2.276  -0.151  12.089
  541    H    SER1958           HN       SER1958  -2.409  -3.123   7.087
  542    HA   SER1958           HA       SER1958  -1.916  -5.101   9.163
  543    HB2  SER1958           HB2      SER1958  -1.628  -5.341   6.150
  544    HB3  SER1958           HB1      SER1958  -1.550  -6.658   7.330
  545    HG   SER1958           HG       SER1958  -3.813  -4.990   6.945
  546    H    LYS1959           HN       LYS1959  -0.103  -4.435  10.166
  547    HA   LYS1959           HA       LYS1959   1.954  -3.085   8.708
  548    HB2  LYS1959           HB2      LYS1959   1.007  -2.161  10.690
  549    HB3  LYS1959           HB1      LYS1959   1.393  -3.597  11.640
  550    HG2  LYS1959           HG2      LYS1959   3.742  -3.073  11.209
  551    HG3  LYS1959           HG1      LYS1959   3.212  -1.554  10.443
  552    HD2  LYS1959           HD2      LYS1959   2.702  -2.398  13.322
  553    HD3  LYS1959           HD1      LYS1959   3.810  -1.129  12.811
  554    HE2  LYS1959           HE2      LYS1959   1.965   0.241  12.027
  555    HE3  LYS1959           HE1      LYS1959   0.814  -1.054  12.296
  556    HZ1  LYS1959           HZ1      LYS1959   0.632   0.474  14.054
  557    HZ2  LYS1959           HZ2      LYS1959   2.237   0.496  14.416
  558    HZ3  LYS1959           HZ3      LYS1959   1.299  -0.922  14.675
  559    H    THR1960           HN       THR1960   2.367  -5.131   7.566
  560    HA   THR1960           HA       THR1960   4.495  -6.599   8.847
  561    HB   THR1960           HB       THR1960   2.049  -7.934   7.639
  562    HG1  THR1960           HG1      THR1960   2.615  -7.185  10.062
  563   HG21  THR1960          HG21      THR1960   3.187 -10.075   8.110
  564   HG22  THR1960          HG22      THR1960   4.623  -9.196   8.636
  565   HG23  THR1960          HG23      THR1960   4.105  -9.113   6.950
  566    H    LEU1961           HN       LEU1961   6.118  -6.348   7.427
  567    HA   LEU1961           HA       LEU1961   5.430  -6.056   4.603
  568    HB2  LEU1961           HB2      LEU1961   6.290  -4.027   5.857
  569    HB3  LEU1961           HB1      LEU1961   7.787  -4.900   6.083
  570    HG   LEU1961           HG       LEU1961   8.059  -4.993   3.623
  571   HD11  LEU1961          HD11      LEU1961   5.645  -3.183   3.650
  572   HD12  LEU1961          HD12      LEU1961   5.716  -4.809   2.972
  573   HD13  LEU1961          HD13      LEU1961   6.656  -3.502   2.245
  574   HD21  LEU1961          HD21      LEU1961   8.659  -2.619   3.369
  575   HD22  LEU1961          HD22      LEU1961   9.162  -3.250   4.938
  576   HD23  LEU1961          HD23      LEU1961   7.724  -2.238   4.813
  577    H    THR1962           HN       THR1962   6.717  -7.219   3.186
  578    HA   THR1962           HA       THR1962   8.976  -8.675   4.112
  579    HB   THR1962           HB       THR1962   7.348 -10.201   4.894
  580    HG1  THR1962           HG1      THR1962   8.214 -11.801   4.076
  581   HG21  THR1962          HG21      THR1962   5.842  -9.879   2.294
  582   HG22  THR1962          HG22      THR1962   5.397  -9.283   3.903
  583   HG23  THR1962          HG23      THR1962   5.420 -11.018   3.589
  584    H    TYR1963           HN       TYR1963   9.522 -10.193   1.954
  585    HA   TYR1963           HA       TYR1963   8.788  -8.711  -0.403
  586    HB2  TYR1963           HB2      TYR1963  11.044  -8.147  -1.101
  587    HB3  TYR1963           HB1      TYR1963  10.727  -7.420   0.464
  588    HD1  TYR1963           HD2      TYR1963  11.758  -8.434   2.511
  589    HD2  TYR1963           HD1      TYR1963  12.823  -9.679  -1.409
  590    HE1  TYR1963           HE2      TYR1963  13.809  -9.446   3.394
  591    HE2  TYR1963           HE1      TYR1963  14.872 -10.699  -0.534
  592    HH   TYR1963           HH       TYR1963  16.343 -10.379   1.421
  593    H    GLU1964           HN       GLU1964   9.360  -9.738  -2.317
  594    HA   GLU1964           HA       GLU1964  10.267 -12.509  -2.063
  595    HB2  GLU1964           HB2      GLU1964   7.781 -12.451  -2.213
  596    HB3  GLU1964           HB1      GLU1964   7.907 -11.524  -3.695
  597    HG2  GLU1964           HG2      GLU1964   7.414 -13.789  -4.249
  598    HG3  GLU1964           HG1      GLU1964   9.068 -13.446  -4.744
  599    H    ASP1965           HN       ASP1965  12.179 -12.321  -3.042
  600    HA   ASP1965           HA       ASP1965  13.792 -12.012  -4.638
  601    HB2  ASP1965           HB2      ASP1965  12.168 -13.287  -6.062
  602    HB3  ASP1965           HB1      ASP1965  11.441 -11.768  -6.559
  603    H    GLN1966           HN       GLN1966  13.350  -9.977  -3.163
  604    HA   GLN1966           HA       GLN1966  13.644  -7.847  -2.761
  605    HB2  GLN1966           HB2      GLN1966  14.780  -7.752  -5.533
  606    HB3  GLN1966           HB1      GLN1966  14.665  -6.306  -4.538
  607    HG2  GLN1966           HG2      GLN1966  15.888  -7.708  -2.766
  608    HG3  GLN1966           HG1      GLN1966  16.304  -8.763  -4.112
  609   HE21  GLN1966          HE21      GLN1966  17.689  -7.989  -5.712
  610   HE22  GLN1966          HE22      GLN1966  18.680  -6.598  -5.456
  611    H    VAL1967           HN       VAL1967  11.331  -8.601  -5.021
  612    HA   VAL1967           HA       VAL1967  10.253  -5.943  -5.105
  613    HB   VAL1967           HB       VAL1967   8.808  -8.588  -5.617
  614   HG11  VAL1967          HG11      VAL1967   7.252  -6.844  -5.109
  615   HG12  VAL1967          HG12      VAL1967   7.165  -7.256  -6.819
  616   HG13  VAL1967          HG13      VAL1967   7.992  -5.780  -6.310
  617   HG21  VAL1967          HG21      VAL1967  10.669  -8.296  -7.173
  618   HG22  VAL1967          HG22      VAL1967  10.073  -6.690  -7.596
  619   HG23  VAL1967          HG23      VAL1967   9.120  -8.118  -7.997
  620    H    LEU1968           HN       LEU1968   9.173  -5.029  -3.560
  621    HA   LEU1968           HA       LEU1968   9.049  -6.418  -1.019
  622    HB2  LEU1968           HB2      LEU1968   9.981  -4.107  -1.358
  623    HB3  LEU1968           HB1      LEU1968   8.367  -3.578  -1.765
  624    HG   LEU1968           HG       LEU1968   7.631  -4.164   0.510
  625   HD11  LEU1968          HD11      LEU1968   9.285  -5.894   0.980
  626   HD12  LEU1968          HD12      LEU1968   9.347  -4.624   2.203
  627   HD13  LEU1968          HD13      LEU1968  10.568  -4.689   0.933
  628   HD21  LEU1968          HD21      LEU1968   9.995  -2.307   0.350
  629   HD22  LEU1968          HD22      LEU1968   8.769  -2.312   1.619
  630   HD23  LEU1968          HD23      LEU1968   8.324  -1.897  -0.036
  631    H    LYS1969           HN       LYS1969   7.372  -7.124  -0.088
  632    HA   LYS1969           HA       LYS1969   4.900  -6.868  -1.596
  633    HB2  LYS1969           HB2      LYS1969   5.977  -8.990  -1.990
  634    HB3  LYS1969           HB1      LYS1969   6.046  -9.307  -0.266
  635    HG2  LYS1969           HG2      LYS1969   3.684  -9.448  -0.127
  636    HG3  LYS1969           HG1      LYS1969   3.521  -8.929  -1.814
  637    HD2  LYS1969           HD2      LYS1969   4.976 -11.444  -0.978
  638    HD3  LYS1969           HD1      LYS1969   3.271 -11.428  -1.429
  639    HE2  LYS1969           HE2      LYS1969   5.520 -10.478  -3.236
  640    HE3  LYS1969           HE1      LYS1969   4.808 -12.088  -3.283
  641    HZ1  LYS1969           HZ1      LYS1969   3.841 -10.598  -4.949
  642    HZ2  LYS1969           HZ2      LYS1969   3.280  -9.558  -3.751
  643    HZ3  LYS1969           HZ3      LYS1969   2.695 -11.137  -3.849
  644    H    LEU1970           HN       LEU1970   3.176  -6.364  -0.577
  645    HA   LEU1970           HA       LEU1970   2.926  -6.602   2.303
  646    HB2  LEU1970           HB2      LEU1970   3.909  -4.398   1.834
  647    HB3  LEU1970           HB1      LEU1970   2.656  -4.117   0.648
  648    HG   LEU1970           HG       LEU1970   0.986  -3.901   2.388
  649   HD11  LEU1970          HD11      LEU1970   1.607  -3.936   4.742
  650   HD12  LEU1970          HD12      LEU1970   3.251  -4.411   4.315
  651   HD13  LEU1970          HD13      LEU1970   1.908  -5.508   4.000
  652   HD21  LEU1970          HD21      LEU1970   3.481  -2.337   2.950
  653   HD22  LEU1970          HD22      LEU1970   1.842  -1.890   3.429
  654   HD23  LEU1970          HD23      LEU1970   2.275  -1.967   1.720
  655    H    VAL1971           HN       VAL1971   0.649  -6.601   2.863
  656    HA   VAL1971           HA       VAL1971  -1.214  -6.560   0.636
  657    HB   VAL1971           HB       VAL1971  -2.384  -8.573   1.449
  658   HG11  VAL1971          HG11      VAL1971  -0.819  -8.876  -0.359
  659   HG12  VAL1971          HG12      VAL1971  -0.818 -10.293   0.691
  660   HG13  VAL1971          HG13      VAL1971   0.497  -9.119   0.791
  661   HG21  VAL1971          HG21      VAL1971  -0.048  -8.922   3.339
  662   HG22  VAL1971          HG22      VAL1971  -1.320 -10.114   3.056
  663   HG23  VAL1971          HG23      VAL1971  -1.716  -8.563   3.790
  664    H    TYR1972           HN       TYR1972  -3.235  -5.874   1.192
  665    HA   TYR1972           HA       TYR1972  -3.732  -5.430   4.029
  666    HB2  TYR1972           HB2      TYR1972  -4.310  -3.385   1.832
  667    HB3  TYR1972           HB1      TYR1972  -4.977  -3.319   3.456
  668    HD1  TYR1972           HD2      TYR1972  -3.216  -3.279   5.417
  669    HD2  TYR1972           HD1      TYR1972  -2.331  -2.319   1.354
  670    HE1  TYR1972           HE2      TYR1972  -1.268  -2.068   6.139
  671    HE2  TYR1972           HE1      TYR1972  -0.347  -1.084   2.108
  672    HH   TYR1972           HH       TYR1972   0.950  -1.472   5.092
  673    H    GLU1973           HN       GLU1973  -5.677  -6.038   4.712
  674    HA   GLU1973           HA       GLU1973  -7.768  -6.501   2.775
  675    HB2  GLU1973           HB2      GLU1973  -8.202  -8.699   3.707
  676    HB3  GLU1973           HB1      GLU1973  -6.684  -8.653   2.786
  677    HG2  GLU1973           HG2      GLU1973  -5.480  -8.508   4.945
  678    HG3  GLU1973           HG1      GLU1973  -7.017  -8.626   5.792
  679    H    ASP1974           HN       ASP1974  -9.770  -6.933   3.828
  680    HA   ASP1974           HA       ASP1974 -11.338  -6.975   5.385
  681    HB2  ASP1974           HB2      ASP1974  -9.917  -8.342   6.853
  682    HB3  ASP1974           HB1      ASP1974  -9.107  -6.900   7.450
  683    H    GLY1975           HN       GLY1975 -12.342  -5.687   6.975
  684    HA2  GLY1975           HA2      GLY1975 -12.239  -3.323   7.965
  685    HA3  GLY1975           HA1      GLY1975 -11.951  -2.849   6.282
  686    H    ASP1976           HN       ASP1976 -13.478  -4.214   4.811
  687    HA   ASP1976           HA       ASP1976 -16.141  -4.312   5.990
  688    HB2  ASP1976           HB2      ASP1976 -16.012  -2.277   4.570
  689    HB3  ASP1976           HB1      ASP1976 -15.498  -3.275   3.209
  690    HA   PRO1977           HA       PRO1977 -15.387  -8.383   4.273
  691    HB2  PRO1977           HB2      PRO1977 -17.949  -8.975   5.614
  692    HB3  PRO1977           HB1      PRO1977 -16.375  -9.742   5.838
  693    HG2  PRO1977           HG2      PRO1977 -17.430  -8.141   7.712
  694    HG3  PRO1977           HG1      PRO1977 -15.683  -8.186   7.397
  695    HD2  PRO1977           HD2      PRO1977 -17.722  -6.182   6.512
  696    HD3  PRO1977           HD1      PRO1977 -16.075  -5.917   7.127
  697    H    CYS1978           HN       CYS1978 -15.815  -8.279   2.191
  698    HA   CYS1978           HA       CYS1978 -18.051  -7.077   1.016
  699    HB2  CYS1978           HB2      CYS1978 -16.148  -9.067  -0.208
  700    HB3  CYS1978           HB1      CYS1978 -17.065  -7.803  -1.031
  701    HA   PRO1979           HA       PRO1979 -20.970 -10.416   1.558
  702    HB2  PRO1979           HB2      PRO1979 -22.457  -9.064  -0.616
  703    HB3  PRO1979           HB1      PRO1979 -22.962  -9.414   1.041
  704    HG2  PRO1979           HG2      PRO1979 -22.382  -6.923   0.291
  705    HG3  PRO1979           HG1      PRO1979 -21.927  -7.522   1.897
  706    HD2  PRO1979           HD2      PRO1979 -20.235  -7.198  -0.553
  707    HD3  PRO1979           HD1      PRO1979 -19.858  -6.787   1.136
  708    H    THR1980           HN       THR1980 -19.450  -9.606  -1.565
  709    HA   THR1980           HA       THR1980 -20.396 -11.927  -2.848
  710    HB   THR1980           HB       THR1980 -18.683 -10.734  -4.410
  711    HG1  THR1980           HG1      THR1980 -18.146  -8.801  -3.867
  712   HG21  THR1980          HG21      THR1980 -20.492  -9.294  -5.263
  713   HG22  THR1980          HG22      THR1980 -21.398  -9.544  -3.769
  714   HG23  THR1980          HG23      THR1980 -21.112 -10.897  -4.871
  715    H    ASP1981           HN       ASP1981 -17.819 -11.006  -0.710
  716    HA   ASP1981           HA       ASP1981 -15.991 -12.997  -1.893
  717    HB2  ASP1981           HB2      ASP1981 -15.661 -10.516  -2.568
  718    HB3  ASP1981           HB1      ASP1981 -15.030 -10.315  -0.940
  719    H    LEU1982           HN       LEU1982 -17.669 -13.142   0.441
  720    HA   LEU1982           HA       LEU1982 -15.755 -12.823   2.611
  721    HB2  LEU1982           HB2      LEU1982 -17.486 -13.042   4.204
  722    HB3  LEU1982           HB1      LEU1982 -18.083 -11.971   2.962
  723    HG   LEU1982           HG       LEU1982 -18.803 -14.876   3.109
  724   HD11  LEU1982          HD11      LEU1982 -19.508 -13.774   5.173
  725   HD12  LEU1982          HD12      LEU1982 -20.913 -14.146   4.177
  726   HD13  LEU1982          HD13      LEU1982 -20.290 -12.497   4.244
  727   HD21  LEU1982          HD21      LEU1982 -19.965 -12.546   1.592
  728   HD22  LEU1982          HD22      LEU1982 -20.867 -14.001   1.934
  729   HD23  LEU1982          HD23      LEU1982 -19.425 -14.122   0.957
  730    H    LYS1983           HN       LYS1983 -17.305 -15.274   0.725
  731    HA   LYS1983           HA       LYS1983 -16.517 -17.395   2.581
  732    HB2  LYS1983           HB2      LYS1983 -17.764 -17.686  -0.170
  733    HB3  LYS1983           HB1      LYS1983 -17.631 -18.930   1.058
  734    HG2  LYS1983           HG2      LYS1983 -19.383 -16.475   1.143
  735    HG3  LYS1983           HG1      LYS1983 -19.906 -18.145   0.941
  736    HD2  LYS1983           HD2      LYS1983 -18.568 -16.992   3.392
  737    HD3  LYS1983           HD1      LYS1983 -20.291 -17.313   3.219
  738    HE2  LYS1983           HE2      LYS1983 -19.838 -19.697   2.995
  739    HE3  LYS1983           HE1      LYS1983 -18.102 -19.389   3.088
  740    HZ1  LYS1983           HZ1      LYS1983 -18.430 -18.472   5.279
  741    HZ2  LYS1983           HZ2      LYS1983 -18.908 -20.082   5.227
  742    HZ3  LYS1983           HZ3      LYS1983 -20.083 -18.833   5.232
  743    H    MET1984           HN       MET1984 -15.852 -16.130  -0.560
  744    HA   MET1984           HA       MET1984 -13.282 -17.506  -0.585
  745    HB2  MET1984           HB2      MET1984 -13.365 -16.931  -3.098
  746    HB3  MET1984           HB1      MET1984 -14.396 -18.241  -2.551
  747    HG2  MET1984           HG2      MET1984 -16.341 -16.960  -2.772
  748    HG3  MET1984           HG1      MET1984 -15.443 -15.444  -2.809
  749    HE1  MET1984           HE1      MET1984 -13.795 -15.422  -6.251
  750    HE2  MET1984           HE2      MET1984 -13.155 -15.854  -4.654
  751    HE3  MET1984           HE3      MET1984 -14.236 -14.481  -4.832
  752    H    LYS1985           HN       LYS1985 -12.187 -16.020   0.534
  753    HA   LYS1985           HA       LYS1985 -12.689 -13.226  -0.087
  754    HB2  LYS1985           HB2      LYS1985 -12.921 -13.911   2.235
  755    HB3  LYS1985           HB1      LYS1985 -11.234 -14.407   2.264
  756    HG2  LYS1985           HG2      LYS1985 -10.574 -12.104   1.755
  757    HG3  LYS1985           HG1      LYS1985 -12.271 -11.632   1.813
  758    HD2  LYS1985           HD2      LYS1985 -12.388 -12.281   4.139
  759    HD3  LYS1985           HD1      LYS1985 -10.707 -12.833   4.084
  760    HE2  LYS1985           HE2      LYS1985 -11.675 -10.026   3.602
  761    HE3  LYS1985           HE1      LYS1985 -10.836 -10.607   5.043
  762    HZ1  LYS1985           HZ1      LYS1985  -8.876 -11.028   3.757
  763    HZ2  LYS1985           HZ2      LYS1985  -9.366  -9.468   3.458
  764    HZ3  LYS1985           HZ3      LYS1985  -9.660 -10.668   2.301
  765    H    HIS1986           HN       HIS1986 -11.366 -11.949  -0.983
  766    HA   HIS1986           HA       HIS1986  -8.603 -12.779  -1.505
  767    HB2  HIS1986           HB2      HIS1986 -10.383 -10.770  -2.886
  768    HB3  HIS1986           HB1      HIS1986  -8.677 -10.984  -3.258
  769    HD1  HIS1986           HD1      HIS1986  -8.047 -12.914  -4.743
  770    HD2  HIS1986           HD2      HIS1986 -12.040 -12.965  -3.655
  771    HE1  HIS1986           HE1      HIS1986  -9.127 -14.609  -6.240
  772    HE2  HIS1986           HE2      HIS1986 -11.537 -14.182  -5.870
  773    H    LYS1987           HN       LYS1987  -7.446 -10.332  -2.059
  774    HA   LYS1987           HA       LYS1987  -7.870  -8.440  -0.003
  775    HB2  LYS1987           HB2      LYS1987  -5.645  -8.739   1.086
  776    HB3  LYS1987           HB1      LYS1987  -6.742 -10.071   1.383
  777    HG2  LYS1987           HG2      LYS1987  -5.554 -11.352  -0.399
  778    HG3  LYS1987           HG1      LYS1987  -4.388 -10.028  -0.496
  779    HD2  LYS1987           HD2      LYS1987  -3.871 -10.319   1.889
  780    HD3  LYS1987           HD1      LYS1987  -5.017 -11.656   1.966
  781    HE2  LYS1987           HE2      LYS1987  -2.509 -11.554   0.293
  782    HE3  LYS1987           HE1      LYS1987  -2.714 -12.451   1.792
  783    HZ1  LYS1987           HZ1      LYS1987  -2.928 -13.904  -0.052
  784    HZ2  LYS1987           HZ2      LYS1987  -4.074 -12.980  -0.809
  785    HZ3  LYS1987           HZ3      LYS1987  -4.460 -13.786   0.643
  786    H    SER1988           HN       SER1988  -5.891  -6.810  -0.095
  787    HA   SER1988           HA       SER1988  -5.414  -6.430  -2.930
  788    HB2  SER1988           HB2      SER1988  -4.802  -4.097  -2.295
  789    HB3  SER1988           HB1      SER1988  -6.448  -4.531  -1.819
  790    HG   SER1988           HG       SER1988  -5.565  -4.940   0.309
  791    H    TYR1989           HN       TYR1989  -3.492  -6.584  -3.815
  792    HA   TYR1989           HA       TYR1989  -1.256  -7.310  -2.089
  793    HB2  TYR1989           HB2      TYR1989  -1.760  -7.801  -5.024
  794    HB3  TYR1989           HB1      TYR1989  -0.288  -8.244  -4.165
  795    HD1  TYR1989           HD2      TYR1989  -0.421  -9.963  -2.340
  796    HD2  TYR1989           HD1      TYR1989  -3.675  -9.117  -4.936
  797    HE1  TYR1989           HE2      TYR1989  -1.452 -12.111  -1.739
  798    HE2  TYR1989           HE1      TYR1989  -4.713 -11.254  -4.345
  799    HH   TYR1989           HH       TYR1989  -3.764 -13.058  -1.727
  800    H    PHE1990           HN       PHE1990   0.272  -5.875  -1.826
  801    HA   PHE1990           HA       PHE1990   0.534  -3.768  -3.823
  802    HB2  PHE1990           HB2      PHE1990   0.254  -3.615  -1.045
  803    HB3  PHE1990           HB1      PHE1990   1.965  -3.320  -1.349
  804    HD1  PHE1990           HD2      PHE1990   2.319  -1.742  -3.501
  805    HD2  PHE1990           HD1      PHE1990  -1.070  -1.762  -0.941
  806    HE1  PHE1990           HE2      PHE1990   1.818   0.566  -4.152
  807    HE2  PHE1990           HE1      PHE1990  -1.575   0.549  -1.584
  808    HZ   PHE1990           HZ       PHE1990  -0.181   1.705  -3.211
  809    H    SER1991           HN       SER1991   2.257  -3.930  -5.047
  810    HA   SER1991           HA       SER1991   4.567  -5.380  -4.008
  811    HB2  SER1991           HB2      SER1991   5.116  -5.749  -6.454
  812    HB3  SER1991           HB1      SER1991   3.682  -6.591  -5.870
  813    HG   SER1991           HG       SER1991   3.673  -4.096  -7.209
  814    H    PHE1992           HN       PHE1992   6.042  -4.034  -3.398
  815    HA   PHE1992           HA       PHE1992   6.261  -1.415  -4.631
  816    HB2  PHE1992           HB2      PHE1992   7.679  -2.593  -2.226
  817    HB3  PHE1992           HB1      PHE1992   7.820  -0.929  -2.781
  818    HD1  PHE1992           HD1      PHE1992   5.632  -3.390  -1.184
  819    HD2  PHE1992           HD2      PHE1992   6.105   0.658  -2.347
  820    HE1  PHE1992           HE1      PHE1992   3.709  -2.769   0.198
  821    HE2  PHE1992           HE2      PHE1992   4.176   1.286  -0.963
  822    HZ   PHE1992           HZ       PHE1992   2.975  -0.434   0.310
  823    H    VAL1993           HN       VAL1993   7.694  -1.062  -6.087
  824    HA   VAL1993           HA       VAL1993   9.966  -2.850  -6.321
  825    HB   VAL1993           HB       VAL1993   8.673  -3.839  -7.981
  826   HG11  VAL1993          HG11      VAL1993   6.773  -2.399  -7.799
  827   HG12  VAL1993          HG12      VAL1993   7.172  -2.671  -9.494
  828   HG13  VAL1993          HG13      VAL1993   7.586  -1.127  -8.722
  829   HG21  VAL1993          HG21      VAL1993   9.428  -3.089 -10.183
  830   HG22  VAL1993          HG22      VAL1993  10.756  -3.074  -9.015
  831   HG23  VAL1993          HG23      VAL1993   9.963  -1.566  -9.473
  832    H    CYS1994           HN       CYS1994  11.841  -1.914  -6.699
  833    HA   CYS1994           HA       CYS1994  11.901   0.913  -6.667
  834    HB2  CYS1994           HB2      CYS1994  14.413   0.532  -6.624
  835    HB3  CYS1994           HB1      CYS1994  13.493  -0.124  -5.281
  836    H    LYS1995           HN       LYS1995  11.695   2.098  -8.346
  837    HA   LYS1995           HA       LYS1995  13.088   1.414 -10.812
  838    HB2  LYS1995           HB2      LYS1995  10.481   0.887 -10.716
  839    HB3  LYS1995           HB1      LYS1995  10.353   2.628 -10.912
  840    HG2  LYS1995           HG2      LYS1995  11.815   2.391 -12.945
  841    HG3  LYS1995           HG1      LYS1995  11.595   0.646 -12.790
  842    HD2  LYS1995           HD2      LYS1995   9.091   1.177 -12.742
  843    HD3  LYS1995           HD1      LYS1995   9.563   2.767 -13.333
  844    HE2  LYS1995           HE2      LYS1995   9.947   0.096 -14.692
  845    HE3  LYS1995           HE1      LYS1995   9.005   1.468 -15.260
  846    HZ1  LYS1995           HZ1      LYS1995  11.220   2.695 -15.463
  847    HZ2  LYS1995           HZ2      LYS1995  11.010   1.383 -16.498
  848    HZ3  LYS1995           HZ3      LYS1995  11.956   1.210 -15.142
  849    H    SER1996           HN       SER1996  14.192   3.277 -11.474
  850    HA   SER1996           HA       SER1996  14.019   5.540  -9.768
  851    HB2  SER1996           HB2      SER1996  16.132   4.650 -10.861
  852    HB3  SER1996           HB1      SER1996  15.564   5.371 -12.362
  853    HG   SER1996           HG       SER1996  15.649   6.913 -10.033
  854    H    ASP1997           HN       ASP1997  12.101   4.680 -12.324
  855    HA   ASP1997           HA       ASP1997  11.776   7.226 -13.563
  856    HB2  ASP1997           HB2      ASP1997  10.026   4.777 -13.633
  857    HB3  ASP1997           HB1      ASP1997   9.686   6.247 -14.545
  858    H    ALA1998           HN       ALA1998  10.684   5.985 -10.634
  859    HA   ALA1998           HA       ALA1998   8.567   8.002 -10.472
  860    HB1  ALA1998           HB1      ALA1998   8.044   5.752  -9.648
  861    HB2  ALA1998           HB2      ALA1998   7.992   6.946  -8.351
  862    HB3  ALA1998           HB3      ALA1998   9.377   5.869  -8.498
  863    H    GLY1999           HN       GLY1999  11.771   7.776 -10.131
  864    HA2  GLY1999           HA2      GLY1999  13.401   9.036  -9.177
  865    HA3  GLY1999           HA1      GLY1999  12.151  10.224  -8.838
  866    H    ASP2000           HN       ASP2000  11.995  10.710  -6.884
  867    HA   ASP2000           HA       ASP2000  12.580   8.768  -4.746
  868    HB2  ASP2000           HB2      ASP2000  14.189  10.612  -4.757
  869    HB3  ASP2000           HB1      ASP2000  12.884  11.786  -4.770
  870    H    ASP2001           HN       ASP2001  10.356  10.997  -6.157
  871    HA   ASP2001           HA       ASP2001   8.596  11.508  -4.033
  872    HB2  ASP2001           HB2      ASP2001   8.030  11.340  -6.999
  873    HB3  ASP2001           HB1      ASP2001   6.794  11.772  -5.828
  874    H    SER2002           HN       SER2002   8.566   8.922  -6.383
  875    HA   SER2002           HA       SER2002   7.825   6.780  -6.320
  876    HB2  SER2002           HB2      SER2002   7.554   7.236  -3.344
  877    HB3  SER2002           HB1      SER2002   7.635   5.678  -4.164
  878    HG   SER2002           HG       SER2002   9.645   7.642  -3.873
  879    H    GLN2003           HN       GLN2003   5.851   6.583  -7.394
  880    HA   GLN2003           HA       GLN2003   3.501   7.149  -5.742
  881    HB2  GLN2003           HB2      GLN2003   2.196   7.787  -7.668
  882    HB3  GLN2003           HB1      GLN2003   3.650   8.766  -7.619
  883    HG2  GLN2003           HG2      GLN2003   4.593   7.612  -9.449
  884    HG3  GLN2003           HG1      GLN2003   3.391   6.326  -9.351
  885   HE21  GLN2003          HE21      GLN2003   4.030   8.009 -11.617
  886   HE22  GLN2003          HE22      GLN2003   2.558   8.811 -12.043
  887    HA   PRO2004           HA       PRO2004   2.240   2.969  -6.519
  888    HB2  PRO2004           HB2      PRO2004  -0.418   3.475  -5.674
  889    HB3  PRO2004           HB1      PRO2004   0.916   2.880  -4.687
  890    HG2  PRO2004           HG2      PRO2004  -0.329   5.384  -4.415
  891    HG3  PRO2004           HG1      PRO2004   1.231   4.904  -3.722
  892    HD2  PRO2004           HD2      PRO2004   0.632   6.483  -6.168
  893    HD3  PRO2004           HD1      PRO2004   1.973   6.643  -5.013
  894    H    VAL2005           HN       VAL2005   1.659   2.020  -8.337
  895    HA   VAL2005           HA       VAL2005  -0.244   3.357 -10.104
  896    HB   VAL2005           HB       VAL2005   1.646   1.054 -10.704
  897   HG11  VAL2005          HG11      VAL2005  -0.311   1.077 -12.157
  898   HG12  VAL2005          HG12      VAL2005   1.140   1.521 -13.056
  899   HG13  VAL2005          HG13      VAL2005  -0.005   2.768 -12.557
  900   HG21  VAL2005          HG21      VAL2005   1.919   3.982 -11.382
  901   HG22  VAL2005          HG22      VAL2005   2.989   2.693 -11.936
  902   HG23  VAL2005          HG23      VAL2005   2.896   3.085 -10.221
  903    H    PHE2006           HN       PHE2006  -2.187   2.478 -10.398
  904    HA   PHE2006           HA       PHE2006  -2.768   0.042  -8.953
  905    HB2  PHE2006           HB2      PHE2006  -5.164   0.545  -9.398
  906    HB3  PHE2006           HB1      PHE2006  -4.344   1.866  -8.588
  907    HD1  PHE2006           HD2      PHE2006  -3.727   3.911  -9.943
  908    HD2  PHE2006           HD1      PHE2006  -6.264   0.843 -11.459
  909    HE1  PHE2006           HE2      PHE2006  -4.549   5.448 -11.676
  910    HE2  PHE2006           HE1      PHE2006  -7.081   2.375 -13.200
  911    HZ   PHE2006           HZ       PHE2006  -6.300   4.692 -13.261
  912    H    LEU2007           HN       LEU2007  -2.881  -1.881  -9.844
  913    HA   LEU2007           HA       LEU2007  -2.641  -2.072 -12.730
  914    HB2  LEU2007           HB2      LEU2007  -2.435  -4.137 -10.543
  915    HB3  LEU2007           HB1      LEU2007  -2.519  -4.590 -12.229
  916    HG   LEU2007           HG       LEU2007  -0.412  -3.335 -12.631
  917   HD11  LEU2007          HD11      LEU2007  -0.535  -1.754 -10.804
  918   HD12  LEU2007          HD12      LEU2007   0.965  -2.682 -10.744
  919   HD13  LEU2007          HD13      LEU2007  -0.357  -3.066  -9.642
  920   HD21  LEU2007          HD21      LEU2007  -0.383  -5.728 -12.262
  921   HD22  LEU2007          HD22      LEU2007  -0.284  -5.477 -10.520
  922   HD23  LEU2007          HD23      LEU2007   1.050  -4.975 -11.561
  923    H    SER2008           HN       SER2008  -4.783  -3.256 -10.182
  924    HA   SER2008           HA       SER2008  -7.016  -2.981 -11.922
  925    HB2  SER2008           HB2      SER2008  -6.119  -5.241 -12.589
  926    HB3  SER2008           HB1      SER2008  -6.311  -5.768 -10.919
  927    HG   SER2008           HG       SER2008  -8.438  -5.995 -11.241
  928    H    PHE2009           HN       PHE2009  -8.842  -2.768 -10.756
  929    HA   PHE2009           HA       PHE2009  -8.738  -3.482  -7.944
  930    HB2  PHE2009           HB2      PHE2009  -8.579  -1.066  -7.914
  931    HB3  PHE2009           HB1      PHE2009  -9.837  -0.914  -9.138
  932    HD1  PHE2009           HD1      PHE2009  -9.513  -2.635  -5.832
  933    HD2  PHE2009           HD2      PHE2009 -11.807  -0.041  -8.303
  934    HE1  PHE2009           HE1      PHE2009 -11.161  -2.379  -4.029
  935    HE2  PHE2009           HE2      PHE2009 -13.462   0.216  -6.502
  936    HZ   PHE2009           HZ       PHE2009 -13.260  -1.091  -4.461
  937    H    ASP2010           HN       ASP2010 -10.119  -4.974  -7.654
  938    HA   ASP2010           HA       ASP2010 -12.424  -5.140  -9.423
  939    HB2  ASP2010           HB2      ASP2010 -10.851  -7.271  -7.962
  940    HB3  ASP2010           HB1      ASP2010 -12.401  -7.566  -8.746
  941    H    GLU2011           HN       GLU2011 -14.039  -4.306  -8.433
  942    HA   GLU2011           HA       GLU2011 -14.154  -4.087  -5.578
  943    HB2  GLU2011           HB2      GLU2011 -16.178  -2.765  -5.949
  944    HB3  GLU2011           HB1      GLU2011 -14.899  -2.217  -7.009
  945    HG2  GLU2011           HG2      GLU2011 -17.247  -3.950  -7.822
  946    HG3  GLU2011           HG1      GLU2011 -17.102  -2.221  -8.103
  947    H    GLN2012           HN       GLN2012 -15.780  -5.809  -8.112
  948    HA   GLN2012           HA       GLN2012 -17.886  -7.049  -6.871
  949    HB2  GLN2012           HB2      GLN2012 -17.399  -7.084  -9.269
  950    HB3  GLN2012           HB1      GLN2012 -16.032  -8.141  -8.984
  951    HG2  GLN2012           HG2      GLN2012 -17.532  -9.903  -8.243
  952    HG3  GLN2012           HG1      GLN2012 -18.915  -8.830  -8.472
  953   HE21  GLN2012          HE21      GLN2012 -16.483 -10.768 -10.081
  954   HE22  GLN2012          HE22      GLN2012 -17.203 -10.667 -11.641
  955    H    THR2013           HN       THR2013 -14.507  -8.101  -6.964
  956    HA   THR2013           HA       THR2013 -15.145 -10.156  -4.989
  957    HB   THR2013           HB       THR2013 -14.659 -11.131  -7.184
  958    HG1  THR2013           HG1      THR2013 -13.381 -11.778  -4.974
  959   HG21  THR2013          HG21      THR2013 -12.006  -9.709  -7.020
  960   HG22  THR2013          HG22      THR2013 -13.315  -9.391  -8.168
  961   HG23  THR2013          HG23      THR2013 -12.442 -10.920  -8.229
  962    H    CYS2014           HN       CYS2014 -14.199  -7.268  -4.780
  963    HA   CYS2014           HA       CYS2014 -12.661  -5.966  -3.762
  964    HB2  CYS2014           HB2      CYS2014 -13.105  -8.205  -1.805
  965    HB3  CYS2014           HB1      CYS2014 -12.341  -6.674  -1.379
  966    H    THR2015           HN       THR2015 -11.254  -7.418  -5.581
  967    HA   THR2015           HA       THR2015  -8.775  -8.185  -4.207
  968    HB   THR2015           HB       THR2015  -9.478  -8.604  -7.131
  969    HG1  THR2015           HG1      THR2015 -10.716  -9.737  -5.116
  970   HG21  THR2015          HG21      THR2015  -7.503  -9.971  -5.291
  971   HG22  THR2015          HG22      THR2015  -7.094  -8.780  -6.524
  972   HG23  THR2015          HG23      THR2015  -7.753 -10.344  -6.998
  973    H    SER2016           HN       SER2016  -6.926  -6.953  -4.626
  974    HA   SER2016           HA       SER2016  -7.122  -4.929  -6.695
  975    HB2  SER2016           HB2      SER2016  -6.425  -4.293  -3.825
  976    HB3  SER2016           HB1      SER2016  -6.422  -3.156  -5.175
  977    HG   SER2016           HG       SER2016  -8.755  -4.442  -5.064
  978    H    TYR2017           HN       TYR2017  -5.191  -4.404  -7.571
  979    HA   TYR2017           HA       TYR2017  -2.768  -5.596  -6.413
  980    HB2  TYR2017           HB2      TYR2017  -3.515  -5.469  -9.354
  981    HB3  TYR2017           HB1      TYR2017  -1.966  -6.012  -8.729
  982    HD1  TYR2017           HD2      TYR2017  -1.790  -8.187  -7.592
  983    HD2  TYR2017           HD1      TYR2017  -5.461  -6.878  -9.297
  984    HE1  TYR2017           HE2      TYR2017  -2.657 -10.484  -7.479
  985    HE2  TYR2017           HE1      TYR2017  -6.336  -9.163  -9.189
  986    HH   TYR2017           HH       TYR2017  -4.839 -11.630  -7.405
  987    H    PHE2018           HN       PHE2018  -1.405  -3.992  -5.921
  988    HA   PHE2018           HA       PHE2018  -1.390  -1.618  -7.646
  989    HB2  PHE2018           HB2      PHE2018  -1.086  -1.600  -4.634
  990    HB3  PHE2018           HB1      PHE2018  -1.028  -0.203  -5.697
  991    HD1  PHE2018           HD2      PHE2018  -3.221  -0.037  -7.255
  992    HD2  PHE2018           HD1      PHE2018  -3.001  -1.902  -3.444
  993    HE1  PHE2018           HE2      PHE2018  -5.644   0.268  -6.975
  994    HE2  PHE2018           HE1      PHE2018  -5.421  -1.602  -3.151
  995    HZ   PHE2018           HZ       PHE2018  -6.741  -0.498  -4.881
  996    H    SER2019           HN       SER2019   0.580  -0.875  -8.140
  997    HA   SER2019           HA       SER2019   2.881  -2.296  -7.006
  998    HB2  SER2019           HB2      SER2019   2.376  -2.970  -9.340
  999    HB3  SER2019           HB1      SER2019   2.483  -1.286  -9.836
 1000    HG   SER2019           HG       SER2019   4.378  -2.070 -10.285
 1001    H    TRP2020           HN       TRP2020   4.082  -0.922  -5.889
 1002    HA   TRP2020           HA       TRP2020   3.773   1.942  -6.454
 1003    HB2  TRP2020           HB2      TRP2020   3.355   0.901  -4.096
 1004    HB3  TRP2020           HB1      TRP2020   5.107   0.807  -4.008
 1005    HD1  TRP2020           HD1      TRP2020   5.902   3.659  -5.133
 1006    HE1  TRP2020           HE1      TRP2020   5.298   5.795  -3.803
 1007    HE3  TRP2020           HE3      TRP2020   2.161   1.826  -2.174
 1008    HZ2  TRP2020           HZ2      TRP2020   3.555   6.584  -1.795
 1009    HZ3  TRP2020           HZ3      TRP2020   1.092   3.339  -0.564
 1010    HH2  TRP2020           HH2      TRP2020   1.774   5.669  -0.381
 1011    H    HIS2021           HN       HIS2021   5.259   2.723  -7.683
 1012    HA   HIS2021           HA       HIS2021   7.842   1.433  -7.886
 1013    HB2  HIS2021           HB2      HIS2021   6.771   3.921  -9.263
 1014    HB3  HIS2021           HB1      HIS2021   8.334   3.190  -9.589
 1015    HD1  HIS2021           HD1      HIS2021   5.620   3.559 -11.479
 1016    HD2  HIS2021           HD2      HIS2021   7.320   0.076  -9.965
 1017    HE1  HIS2021           HE1      HIS2021   4.853   1.720 -12.977
 1018    HE2  HIS2021           HE2      HIS2021   5.653  -0.374 -11.898
 1019    H    THR2022           HN       THR2022   9.144   1.823  -6.270
 1020    HA   THR2022           HA       THR2022   9.552   4.567  -5.482
 1021    HB   THR2022           HB       THR2022   7.847   3.970  -3.913
 1022    HG1  THR2022           HG1      THR2022   9.458   5.164  -3.020
 1023   HG21  THR2022          HG21      THR2022   9.531   1.571  -3.163
 1024   HG22  THR2022          HG22      THR2022   7.991   1.524  -4.021
 1025   HG23  THR2022          HG23      THR2022   8.051   2.079  -2.345
 1026    H    SER2023           HN       SER2023  11.555   5.007  -4.659
 1027    HA   SER2023           HA       SER2023  13.541   3.031  -5.197
 1028    HB2  SER2023           HB2      SER2023  14.984   5.096  -4.432
 1029    HB3  SER2023           HB1      SER2023  14.140   5.098  -5.987
 1030    HG   SER2023           HG       SER2023  13.153   6.809  -5.312
 1031    H    LEU2024           HN       LEU2024  11.620   3.540  -2.593
 1032    HA   LEU2024           HA       LEU2024  13.629   2.917  -0.563
 1033    HB2  LEU2024           HB2      LEU2024  10.661   3.484  -0.357
 1034    HB3  LEU2024           HB1      LEU2024  11.633   2.996   1.007
 1035    HG   LEU2024           HG       LEU2024  11.276   5.324   1.163
 1036   HD11  LEU2024          HD11      LEU2024  14.069   4.848   0.200
 1037   HD12  LEU2024          HD12      LEU2024  13.454   4.633   1.839
 1038   HD13  LEU2024          HD13      LEU2024  13.527   6.246   1.129
 1039   HD21  LEU2024          HD21      LEU2024  12.349   5.611  -1.647
 1040   HD22  LEU2024          HD22      LEU2024  11.934   6.945  -0.571
 1041   HD23  LEU2024          HD23      LEU2024  10.677   5.846  -1.138
 1042    H    ALA2025           HN       ALA2025  11.843   1.306  -2.773
 1043    HA   ALA2025           HA       ALA2025  10.770  -0.861  -1.248
 1044    HB1  ALA2025           HB1      ALA2025  10.231  -1.837  -3.389
 1045    HB2  ALA2025           HB2      ALA2025  11.249  -0.640  -4.197
 1046    HB3  ALA2025           HB3      ALA2025   9.794  -0.127  -3.346
 1047    H    CYS2026           HN       CYS2026  13.500  -0.644  -3.525
 1048    HA   CYS2026           HA       CYS2026  14.836  -2.703  -2.075
 1049    HB2  CYS2026           HB2      CYS2026  15.249  -3.963  -4.322
 1050    HB3  CYS2026           HB1      CYS2026  13.769  -4.248  -3.429
 1051    H    GLU2027           HN       GLU2027  17.056  -3.185  -3.315
 1052    HA   GLU2027           HA       GLU2027  17.961  -0.560  -4.192
 1053    HB2  GLU2027           HB2      GLU2027  18.710  -1.074  -1.894
 1054    HB3  GLU2027           HB1      GLU2027  19.526  -2.499  -2.526
 1055    HG2  GLU2027           HG2      GLU2027  21.008  -1.143  -3.827
 1056    HG3  GLU2027           HG1      GLU2027  20.142   0.317  -3.357
 1057    H    GLU2028           HN       GLU2028  17.663  -1.074  -6.205
 1058    HA   GLU2028           HA       GLU2028  19.674  -1.856  -7.803
 1059    HB2  GLU2028           HB2      GLU2028  18.714  -4.194  -6.778
 1060    HB3  GLU2028           HB1      GLU2028  17.443  -3.897  -7.953
 1061    HG2  GLU2028           HG2      GLU2028  18.994  -5.327  -9.013
 1062    HG3  GLU2028           HG1      GLU2028  19.284  -3.722  -9.689
 1063    H    GLU2029           HN       GLU2029  17.497  -2.856  -9.675
 1064    HA   GLU2029           HA       GLU2029  15.296  -1.145  -9.412
 1065    HB2  GLU2029           HB2      GLU2029  17.065   0.379 -10.447
 1066    HB3  GLU2029           HB1      GLU2029  17.044  -0.697 -11.841
 1067    HG2  GLU2029           HG2      GLU2029  14.663  -0.263 -12.132
 1068    HG3  GLU2029           HG1      GLU2029  14.696   0.824 -10.749
 1069    H    VAL2030           HN       VAL2030  13.670  -1.994 -10.585
 1070    HA   VAL2030           HA       VAL2030  14.303  -4.557 -11.834
 1071    HB   VAL2030           HB       VAL2030  11.644  -3.460 -10.861
 1072   HG11  VAL2030          HG11      VAL2030  10.781  -5.722 -11.179
 1073   HG12  VAL2030          HG12      VAL2030  12.321  -6.216 -11.879
 1074   HG13  VAL2030          HG13      VAL2030  11.320  -5.023 -12.707
 1075   HG21  VAL2030          HG21      VAL2030  13.177  -3.946  -9.039
 1076   HG22  VAL2030          HG22      VAL2030  13.461  -5.561  -9.682
 1077   HG23  VAL2030          HG23      VAL2030  11.865  -5.122  -9.073
 1078    HA   PRO2031           HA       PRO2031  13.208  -2.682 -15.798
 1079    HB2  PRO2031           HB2      PRO2031  14.921  -4.075 -17.242
 1080    HB3  PRO2031           HB1      PRO2031  15.529  -2.875 -16.092
 1081    HG2  PRO2031           HG2      PRO2031  15.468  -5.849 -15.866
 1082    HG3  PRO2031           HG1      PRO2031  16.697  -4.705 -15.302
 1083    HD2  PRO2031           HD2      PRO2031  14.615  -5.842 -13.746
 1084    HD3  PRO2031           HD1      PRO2031  15.682  -4.506 -13.285
 1085    H    ARG2032           HN       ARG2032  11.725  -4.890 -14.479
 1086    HA   ARG2032           HA       ARG2032  10.707  -6.199 -16.831
 1087    HB2  ARG2032           HB2      ARG2032  10.724  -8.443 -15.587
 1088    HB3  ARG2032           HB1      ARG2032  12.246  -7.885 -16.268
 1089    HG2  ARG2032           HG2      ARG2032  13.023  -7.197 -14.119
 1090    HG3  ARG2032           HG1      ARG2032  11.449  -7.515 -13.402
 1091    HD2  ARG2032           HD2      ARG2032  11.699  -9.875 -13.826
 1092    HD3  ARG2032           HD1      ARG2032  13.238  -9.585 -14.651
 1093    HE   ARG2032           HE       ARG2032  14.162  -8.866 -12.624
 1094   HH11  ARG2032          HH11      ARG2032  10.967 -10.383 -12.247
 1095   HH12  ARG2032          HH12      ARG2032  11.228 -10.885 -10.648
 1096   HH21  ARG2032          HH21      ARG2032  14.492  -9.493 -10.363
 1097   HH22  ARG2032          HH22      ARG2032  13.306 -10.418  -9.556
  Start of MODEL    6
    1    H1   MET1885           HT1      MET1885   9.253  14.303   1.156
    2    H2   MET1885           HT2      MET1885   9.229  14.821   2.764
    3    H3   MET1885           HT3      MET1885   7.909  15.167   1.751
    4    HA   MET1885           HA       MET1885   7.364  13.352   3.192
    5    HB2  MET1885           HB2      MET1885   6.625  13.276   0.808
    6    HB3  MET1885           HB1      MET1885   8.070  12.370   0.415
    7    HG2  MET1885           HG2      MET1885   6.213  10.886   0.548
    8    HG3  MET1885           HG1      MET1885   7.301  10.569   1.897
    9    HE1  MET1885           HE1      MET1885   5.388   9.174   3.018
   10    HE2  MET1885           HE2      MET1885   4.324   9.546   1.662
   11    HE3  MET1885           HE3      MET1885   3.761   9.784   3.314
   12    H    LYS1886           HN       LYS1886   8.840  12.738   4.788
   13    HA   LYS1886           HA       LYS1886  10.997  10.972   3.865
   14    HB2  LYS1886           HB2      LYS1886  12.381  11.717   5.713
   15    HB3  LYS1886           HB1      LYS1886  11.927  13.071   4.694
   16    HG2  LYS1886           HG2      LYS1886  10.361  13.854   6.307
   17    HG3  LYS1886           HG1      LYS1886  10.538  12.389   7.273
   18    HD2  LYS1886           HD2      LYS1886  11.771  14.312   8.222
   19    HD3  LYS1886           HD1      LYS1886  12.837  12.975   7.792
   20    HE2  LYS1886           HE2      LYS1886  13.801  15.112   7.128
   21    HE3  LYS1886           HE1      LYS1886  13.437  14.115   5.722
   22    HZ1  LYS1886           HZ1      LYS1886  11.359  15.433   5.469
   23    HZ2  LYS1886           HZ2      LYS1886  12.776  16.289   5.263
   24    HZ3  LYS1886           HZ3      LYS1886  11.898  16.484   6.682
   25    H    SER1887           HN       SER1887  11.898   9.770   5.817
   26    HA   SER1887           HA       SER1887  10.286   7.777   6.648
   27    HB2  SER1887           HB2      SER1887  12.688   7.759   6.700
   28    HB3  SER1887           HB1      SER1887  12.724   8.896   8.058
   29    HG   SER1887           HG       SER1887  12.096   6.208   7.890
   30    H    ASN1888           HN       ASN1888   8.477   7.865   7.720
   31    HA   ASN1888           HA       ASN1888   8.145   9.650  10.016
   32    HB2  ASN1888           HB2      ASN1888   6.433   9.456   8.056
   33    HB3  ASN1888           HB1      ASN1888   6.035   7.890   8.744
   34   HD21  ASN1888          HD21      ASN1888   3.920   8.632   9.092
   35   HD22  ASN1888          HD22      ASN1888   3.500   9.699  10.390
   36    H    VAL1889           HN       VAL1889   7.571   8.691  12.072
   37    HA   VAL1889           HA       VAL1889   8.765   6.022  12.268
   38    HB   VAL1889           HB       VAL1889   8.341   8.028  14.433
   39   HG11  VAL1889          HG11      VAL1889   9.990   5.496  14.366
   40   HG12  VAL1889          HG12      VAL1889   8.498   5.748  15.271
   41   HG13  VAL1889          HG13      VAL1889   9.955   6.641  15.709
   42   HG21  VAL1889          HG21      VAL1889   9.918   8.938  12.840
   43   HG22  VAL1889          HG22      VAL1889  10.856   7.444  12.872
   44   HG23  VAL1889          HG23      VAL1889  10.776   8.465  14.308
   45    H    GLN1890           HN       GLN1890   7.154   4.801  11.748
   46    HA   GLN1890           HA       GLN1890   4.998   4.596  13.700
   47    HB2  GLN1890           HB2      GLN1890   5.368   3.577  10.917
   48    HB3  GLN1890           HB1      GLN1890   4.329   2.675  12.007
   49    HG2  GLN1890           HG2      GLN1890   2.961   4.147  10.692
   50    HG3  GLN1890           HG1      GLN1890   3.008   4.720  12.356
   51   HE21  GLN1890          HE21      GLN1890   2.332   6.702  11.742
   52   HE22  GLN1890          HE22      GLN1890   3.380   7.847  10.985
   53    H    ASN1891           HN       ASN1891   8.062   3.635  13.272
   54    HA   ASN1891           HA       ASN1891   9.424   2.244  14.318
   55    HB2  ASN1891           HB2      ASN1891   6.971   1.328  15.834
   56    HB3  ASN1891           HB1      ASN1891   8.603   0.770  16.182
   57   HD21  ASN1891          HD21      ASN1891  10.039   2.171  17.157
   58   HD22  ASN1891          HD22      ASN1891   9.543   3.662  17.889
   59    H    ASP1892           HN       ASP1892   6.505   0.433  13.631
   60    HA   ASP1892           HA       ASP1892   8.222  -1.711  12.707
   61    HB2  ASP1892           HB2      ASP1892   5.382  -1.682  13.635
   62    HB3  ASP1892           HB1      ASP1892   5.896  -3.038  12.662
   63    H    CYS1893           HN       CYS1893   6.705  -3.007  10.925
   64    HA   CYS1893           HA       CYS1893   6.558  -3.227   8.760
   65    HB2  CYS1893           HB2      CYS1893   4.698  -1.728   8.635
   66    HB3  CYS1893           HB1      CYS1893   5.743  -0.318   8.782
   67    H    ARG1894           HN       ARG1894   8.645  -3.769   8.792
   68    HA   ARG1894           HA       ARG1894  10.166  -2.613   6.752
   69    HB2  ARG1894           HB2      ARG1894  12.219  -2.101   8.123
   70    HB3  ARG1894           HB1      ARG1894  10.904  -0.958   8.321
   71    HG2  ARG1894           HG2      ARG1894  10.301  -2.081  10.444
   72    HG3  ARG1894           HG1      ARG1894  11.705  -3.138  10.241
   73    HD2  ARG1894           HD2      ARG1894  13.184  -1.250  10.261
   74    HD3  ARG1894           HD1      ARG1894  11.821  -0.141  10.314
   75    HE   ARG1894           HE       ARG1894  11.591  -1.784  12.518
   76   HH11  ARG1894          HH11      ARG1894  13.751   0.665  11.223
   77   HH12  ARG1894          HH12      ARG1894  14.406   1.175  12.702
   78   HH21  ARG1894          HH21      ARG1894  12.423  -1.104  14.641
   79   HH22  ARG1894          HH22      ARG1894  13.652   0.085  14.725
   80    H    VAL1895           HN       VAL1895  11.742  -4.083   6.024
   81    HA   VAL1895           HA       VAL1895  12.224  -6.426   7.644
   82    HB   VAL1895           HB       VAL1895  10.103  -6.917   6.449
   83   HG11  VAL1895          HG11      VAL1895  11.673  -6.601   3.910
   84   HG12  VAL1895          HG12      VAL1895  10.360  -5.569   4.479
   85   HG13  VAL1895          HG13      VAL1895  10.035  -7.244   4.034
   86   HG21  VAL1895          HG21      VAL1895  10.747  -9.080   5.464
   87   HG22  VAL1895          HG22      VAL1895  11.549  -8.776   7.006
   88   HG23  VAL1895          HG23      VAL1895  12.436  -8.571   5.495
   89    H    THR1896           HN       THR1896  14.168  -7.416   7.107
   90    HA   THR1896           HA       THR1896  15.840  -5.837   5.333
   91    HB   THR1896           HB       THR1896  16.612  -8.080   7.221
   92    HG1  THR1896           HG1      THR1896  17.322  -6.158   8.490
   93   HG21  THR1896          HG21      THR1896  18.223  -5.855   5.954
   94   HG22  THR1896          HG22      THR1896  18.277  -7.555   5.490
   95   HG23  THR1896          HG23      THR1896  18.844  -7.058   7.085
   96    H    ASN1897           HN       ASN1897  16.638  -6.631   3.409
   97    HA   ASN1897           HA       ASN1897  16.007  -9.410   2.695
   98    HB2  ASN1897           HB2      ASN1897  15.272  -7.641   1.082
   99    HB3  ASN1897           HB1      ASN1897  16.934  -7.093   0.943
  100   HD21  ASN1897          HD21      ASN1897  15.288  -7.939  -1.216
  101   HD22  ASN1897          HD22      ASN1897  16.022  -9.332  -1.910
  102    HA   PRO1898           HA       PRO1898  20.362  -9.787   3.882
  103    HB2  PRO1898           HB2      PRO1898  20.440 -12.515   3.776
  104    HB3  PRO1898           HB1      PRO1898  19.823 -11.604   5.156
  105    HG2  PRO1898           HG2      PRO1898  18.327 -12.932   2.942
  106    HG3  PRO1898           HG1      PRO1898  17.953 -12.884   4.672
  107    HD2  PRO1898           HD2      PRO1898  16.703 -11.309   2.863
  108    HD3  PRO1898           HD1      PRO1898  17.003 -10.794   4.533
  109    H    ALA1899           HN       ALA1899  18.826 -11.099   1.026
  110    HA   ALA1899           HA       ALA1899  21.221 -12.046  -0.212
  111    HB1  ALA1899           HB1      ALA1899  18.547 -11.388  -1.454
  112    HB2  ALA1899           HB2      ALA1899  19.020 -12.960  -0.805
  113    HB3  ALA1899           HB3      ALA1899  19.845 -12.305  -2.221
  114    H    THR1900           HN       THR1900  19.289  -9.131  -0.458
  115    HA   THR1900           HA       THR1900  21.159  -7.914  -2.284
  116    HB   THR1900           HB       THR1900  18.941  -6.547  -0.740
  117    HG1  THR1900           HG1      THR1900  18.925  -8.237  -3.023
  118   HG21  THR1900          HG21      THR1900  20.234  -5.981  -3.415
  119   HG22  THR1900          HG22      THR1900  20.521  -5.085  -1.922
  120   HG23  THR1900          HG23      THR1900  18.929  -5.047  -2.682
  121    H    GLY1901           HN       GLY1901  20.515  -7.996   1.149
  122    HA2  GLY1901           HA2      GLY1901  21.860  -7.331   2.905
  123    HA3  GLY1901           HA1      GLY1901  22.976  -6.602   1.748
  124    H    HIS1902           HN       HIS1902  19.749  -5.870   1.289
  125    HA   HIS1902           HA       HIS1902  20.219  -3.132   2.261
  126    HB2  HIS1902           HB2      HIS1902  19.992  -3.543  -0.263
  127    HB3  HIS1902           HB1      HIS1902  18.319  -3.959   0.052
  128    HD1  HIS1902           HD1      HIS1902  20.522  -1.172  -0.667
  129    HD2  HIS1902           HD2      HIS1902  16.746  -1.638   0.995
  130    HE1  HIS1902           HE1      HIS1902  19.466   1.096  -0.750
  131    HE2  HIS1902           HE2      HIS1902  17.100   0.665  -0.181
  132    H    LEU1903           HN       LEU1903  18.754  -2.294   3.558
  133    HA   LEU1903           HA       LEU1903  16.721  -3.972   4.745
  134    HB2  LEU1903           HB2      LEU1903  18.024  -2.487   6.161
  135    HB3  LEU1903           HB1      LEU1903  17.557  -1.103   5.198
  136    HG   LEU1903           HG       LEU1903  15.219  -1.387   5.978
  137   HD11  LEU1903          HD11      LEU1903  16.379  -3.500   7.777
  138   HD12  LEU1903          HD12      LEU1903  15.235  -3.759   6.460
  139   HD13  LEU1903          HD13      LEU1903  14.750  -2.833   7.880
  140   HD21  LEU1903          HD21      LEU1903  17.283  -1.116   8.157
  141   HD22  LEU1903          HD22      LEU1903  15.610  -0.570   8.252
  142   HD23  LEU1903          HD23      LEU1903  16.715   0.171   7.094
  143    H    PHE1904           HN       PHE1904  14.661  -4.030   4.021
  144    HA   PHE1904           HA       PHE1904  13.861  -1.989   2.129
  145    HB2  PHE1904           HB2      PHE1904  12.669  -4.678   2.846
  146    HB3  PHE1904           HB1      PHE1904  11.895  -3.515   1.784
  147    HD1  PHE1904           HD2      PHE1904  15.238  -3.156   1.122
  148    HD2  PHE1904           HD1      PHE1904  12.094  -5.962   0.521
  149    HE1  PHE1904           HE2      PHE1904  16.479  -4.124  -0.735
  150    HE2  PHE1904           HE1      PHE1904  13.337  -6.950  -1.359
  151    HZ   PHE1904           HZ       PHE1904  15.362  -6.028  -2.102
  152    H    ASP1905           HN       ASP1905  12.986  -0.301   3.077
  153    HA   ASP1905           HA       ASP1905  10.973  -0.792   5.085
  154    HB2  ASP1905           HB2      ASP1905  11.795   0.821   6.641
  155    HB3  ASP1905           HB1      ASP1905  13.158  -0.221   6.268
  156    H    LEU1906           HN       LEU1906   9.365   0.588   4.987
  157    HA   LEU1906           HA       LEU1906   9.446   2.549   2.798
  158    HB2  LEU1906           HB2      LEU1906   7.137   1.044   4.011
  159    HB3  LEU1906           HB1      LEU1906   7.015   2.223   2.717
  160    HG   LEU1906           HG       LEU1906   8.519  -0.379   2.533
  161   HD11  LEU1906          HD11      LEU1906   6.694  -1.073   1.085
  162   HD12  LEU1906          HD12      LEU1906   5.849   0.436   1.431
  163   HD13  LEU1906          HD13      LEU1906   6.136  -0.732   2.723
  164   HD21  LEU1906          HD21      LEU1906   7.823   1.674   0.436
  165   HD22  LEU1906          HD22      LEU1906   8.633   0.136   0.147
  166   HD23  LEU1906          HD23      LEU1906   9.427   1.387   1.104
  167    H    THR1907           HN       THR1907  10.455   3.143   5.330
  168    HA   THR1907           HA       THR1907   8.471   4.188   7.044
  169    HB   THR1907           HB       THR1907  10.340   5.278   8.250
  170    HG1  THR1907           HG1      THR1907  12.192   4.091   6.445
  171   HG21  THR1907          HG21      THR1907   9.822   2.934   8.720
  172   HG22  THR1907          HG22      THR1907  11.554   3.236   8.870
  173   HG23  THR1907          HG23      THR1907  10.921   2.424   7.439
  174    H    SER1908           HN       SER1908  10.305   5.508   4.363
  175    HA   SER1908           HA       SER1908   9.565   8.216   4.875
  176    HB2  SER1908           HB2      SER1908  11.659   7.657   3.696
  177    HB3  SER1908           HB1      SER1908  10.729   6.940   2.381
  178    HG   SER1908           HG       SER1908   9.711   9.266   2.637
  179    H    LEU1909           HN       LEU1909   7.851   5.627   3.755
  180    HA   LEU1909           HA       LEU1909   6.215   7.198   1.907
  181    HB2  LEU1909           HB2      LEU1909   7.065   4.526   2.065
  182    HB3  LEU1909           HB1      LEU1909   5.321   4.568   2.244
  183    HG   LEU1909           HG       LEU1909   6.971   5.648  -0.059
  184   HD11  LEU1909          HD11      LEU1909   6.771   3.285  -0.136
  185   HD12  LEU1909          HD12      LEU1909   5.768   3.995  -1.400
  186   HD13  LEU1909          HD13      LEU1909   5.022   3.372   0.075
  187   HD21  LEU1909          HD21      LEU1909   5.104   7.128   0.364
  188   HD22  LEU1909          HD22      LEU1909   3.984   5.762   0.326
  189   HD23  LEU1909          HD23      LEU1909   4.854   6.235  -1.139
  190    H    LYS1910           HN       LYS1910   6.265   5.930   4.995
  191    HA   LYS1910           HA       LYS1910   3.457   5.805   5.557
  192    HB2  LYS1910           HB2      LYS1910   5.687   6.288   7.552
  193    HB3  LYS1910           HB1      LYS1910   4.090   5.616   7.865
  194    HG2  LYS1910           HG2      LYS1910   4.616   3.625   6.669
  195    HG3  LYS1910           HG1      LYS1910   6.150   4.301   6.126
  196    HD2  LYS1910           HD2      LYS1910   6.825   4.443   8.531
  197    HD3  LYS1910           HD1      LYS1910   5.352   3.545   8.925
  198    HE2  LYS1910           HE2      LYS1910   6.042   1.691   7.546
  199    HE3  LYS1910           HE1      LYS1910   7.466   2.576   7.006
  200    HZ1  LYS1910           HZ1      LYS1910   6.928   1.506   9.728
  201    HZ2  LYS1910           HZ2      LYS1910   8.126   2.603   9.438
  202    HZ3  LYS1910           HZ3      LYS1910   8.163   1.073   8.676
  203    H    ARG1911           HN       ARG1911   2.109   7.445   6.224
  204    HA   ARG1911           HA       ARG1911   3.252   9.934   7.120
  205    HB2  ARG1911           HB2      ARG1911   1.782  11.261   5.578
  206    HB3  ARG1911           HB1      ARG1911   3.081  10.401   4.768
  207    HG2  ARG1911           HG2      ARG1911   1.487   8.669   4.088
  208    HG3  ARG1911           HG1      ARG1911   0.194   9.565   4.879
  209    HD2  ARG1911           HD2      ARG1911   1.908  10.608   2.631
  210    HD3  ARG1911           HD1      ARG1911   0.278   9.958   2.447
  211    HE   ARG1911           HE       ARG1911   0.442  12.105   4.340
  212   HH11  ARG1911          HH11      ARG1911   0.220  11.478   0.852
  213   HH12  ARG1911          HH12      ARG1911  -0.662  12.934   0.573
  214   HH21  ARG1911          HH21      ARG1911  -0.689  14.129   3.833
  215   HH22  ARG1911          HH22      ARG1911  -1.150  14.387   2.223
  216    H    GLU1912           HN       GLU1912   1.208  11.466   7.618
  217    HA   GLU1912           HA       GLU1912  -0.176   9.900   9.595
  218    HB2  GLU1912           HB2      GLU1912  -0.209  12.855   9.028
  219    HB3  GLU1912           HB1      GLU1912  -1.047  12.087  10.366
  220    HG2  GLU1912           HG2      GLU1912   1.927  12.107   9.911
  221    HG3  GLU1912           HG1      GLU1912   1.038  13.058  11.103
  222    H    SER1913           HN       SER1913  -0.992  11.494   6.605
  223    HA   SER1913           HA       SER1913  -3.803  10.977   7.090
  224    HB2  SER1913           HB2      SER1913  -3.210  13.177   6.181
  225    HB3  SER1913           HB1      SER1913  -2.441  12.416   4.793
  226    HG   SER1913           HG       SER1913  -4.963  13.129   5.085
  227    H    GLY1914           HN       GLY1914  -2.024  10.623   4.014
  228    HA2  GLY1914           HA2      GLY1914  -1.792   7.968   3.685
  229    HA3  GLY1914           HA1      GLY1914  -3.514   8.268   3.376
  230    H    TYR1915           HN       TYR1915  -1.667   7.370   1.376
  231    HA   TYR1915           HA       TYR1915  -1.320   9.791  -0.256
  232    HB2  TYR1915           HB2      TYR1915   0.616   8.046   0.325
  233    HB3  TYR1915           HB1      TYR1915  -0.142   7.128  -0.967
  234    HD1  TYR1915           HD2      TYR1915   1.532  10.370  -0.209
  235    HD2  TYR1915           HD1      TYR1915   0.228   7.665  -3.219
  236    HE1  TYR1915           HE2      TYR1915   2.759  11.666  -1.907
  237    HE2  TYR1915           HE1      TYR1915   1.440   8.953  -4.917
  238    HH   TYR1915           HH       TYR1915   3.643  11.504  -4.072
  239    H    THR1916           HN       THR1916  -2.301   9.866  -2.272
  240    HA   THR1916           HA       THR1916  -4.255   7.730  -2.813
  241    HB   THR1916           HB       THR1916  -5.293   9.417  -1.248
  242    HG1  THR1916           HG1      THR1916  -6.521   8.297  -2.861
  243   HG21  THR1916          HG21      THR1916  -4.756  11.282  -3.551
  244   HG22  THR1916          HG22      THR1916  -4.002  11.340  -1.964
  245   HG23  THR1916          HG23      THR1916  -5.737  11.673  -2.128
  246    H    ILE1917           HN       ILE1917  -5.159   7.702  -4.474
  247    HA   ILE1917           HA       ILE1917  -4.283   9.212  -6.762
  248    HB   ILE1917           HB       ILE1917  -4.366   6.990  -7.949
  249   HG12  ILE1917          HG12      ILE1917  -3.742   5.909  -5.195
  250   HG13  ILE1917          HG11      ILE1917  -5.193   5.594  -6.135
  251   HG21  ILE1917          HG21      ILE1917  -1.976   7.653  -6.238
  252   HG22  ILE1917          HG22      ILE1917  -2.325   8.263  -7.855
  253   HG23  ILE1917          HG23      ILE1917  -1.926   6.562  -7.623
  254   HD11  ILE1917          HD11      ILE1917  -3.851   4.395  -7.792
  255   HD12  ILE1917          HD12      ILE1917  -3.675   3.697  -6.185
  256   HD13  ILE1917          HD13      ILE1917  -2.396   4.719  -6.848
  257    H    THR1918           HN       THR1918  -5.871   8.591  -8.589
  258    HA   THR1918           HA       THR1918  -8.520   8.464  -7.391
  259    HB   THR1918           HB       THR1918  -7.846   8.859 -10.325
  260    HG1  THR1918           HG1      THR1918  -7.621  10.623  -8.125
  261   HG21  THR1918          HG21      THR1918 -10.149   9.812  -8.597
  262   HG22  THR1918          HG22      THR1918 -10.217   8.464  -9.732
  263   HG23  THR1918          HG23      THR1918  -9.969  10.107 -10.328
  264    H    ASP1919           HN       ASP1919 -10.045   6.830  -8.117
  265    HA   ASP1919           HA       ASP1919  -8.744   4.331  -8.645
  266    HB2  ASP1919           HB2      ASP1919 -10.741   3.295  -8.019
  267    HB3  ASP1919           HB1      ASP1919 -10.758   4.746  -7.038
  268    H    SER1920           HN       SER1920 -10.980   3.194 -10.197
  269    HA   SER1920           HA       SER1920 -10.084   3.359 -12.751
  270    HB2  SER1920           HB2      SER1920 -12.867   2.801 -11.759
  271    HB3  SER1920           HB1      SER1920 -12.194   2.288 -13.314
  272    HG   SER1920           HG       SER1920 -10.602   1.122 -12.140
  273    H    HIS1921           HN       HIS1921 -12.327   5.665 -11.089
  274    HA   HIS1921           HA       HIS1921 -12.144   7.400 -13.370
  275    HB2  HIS1921           HB2      HIS1921 -13.819   5.807 -14.191
  276    HB3  HIS1921           HB1      HIS1921 -14.858   6.201 -12.832
  277    HD1  HIS1921           HD1      HIS1921 -13.562   7.590 -16.060
  278    HD2  HIS1921           HD2      HIS1921 -16.355   8.549 -13.144
  279    HE1  HIS1921           HE1      HIS1921 -14.940   9.461 -17.028
  280    HE2  HIS1921           HE2      HIS1921 -16.370  10.214 -15.111
  281    H    ASN1922           HN       ASN1922 -13.231   6.996 -10.009
  282    HA   ASN1922           HA       ASN1922 -13.761   9.869  -9.936
  283    HB2  ASN1922           HB2      ASN1922 -15.851   8.743 -10.663
  284    HB3  ASN1922           HB1      ASN1922 -15.823   7.863  -9.164
  285   HD21  ASN1922          HD21      ASN1922 -16.212  11.078 -10.512
  286   HD22  ASN1922          HD22      ASN1922 -16.962  11.699  -9.084
  287    H    ARG1923           HN       ARG1923 -14.268   6.920  -8.233
  288    HA   ARG1923           HA       ARG1923 -14.207   7.899  -5.597
  289    HB2  ARG1923           HB2      ARG1923 -13.484   5.132  -6.553
  290    HB3  ARG1923           HB1      ARG1923 -13.850   5.569  -4.889
  291    HG2  ARG1923           HG2      ARG1923 -16.136   6.160  -5.563
  292    HG3  ARG1923           HG1      ARG1923 -15.724   5.718  -7.229
  293    HD2  ARG1923           HD2      ARG1923 -15.290   3.441  -6.557
  294    HD3  ARG1923           HD1      ARG1923 -15.608   3.847  -4.871
  295    HE   ARG1923           HE       ARG1923 -17.886   4.503  -5.749
  296   HH11  ARG1923          HH11      ARG1923 -15.953   1.844  -7.071
  297   HH12  ARG1923          HH12      ARG1923 -17.248   0.916  -7.645
  298   HH21  ARG1923          HH21      ARG1923 -19.746   3.220  -6.432
  299   HH22  ARG1923          HH22      ARG1923 -19.567   1.733  -7.216
  300    H    LYS1924           HN       LYS1924 -12.600   7.617  -3.967
  301    HA   LYS1924           HA       LYS1924  -9.970   8.299  -5.011
  302    HB2  LYS1924           HB2      LYS1924 -11.061   8.387  -2.207
  303    HB3  LYS1924           HB1      LYS1924  -9.491   8.980  -2.718
  304    HG2  LYS1924           HG2      LYS1924 -10.591  10.643  -4.132
  305    HG3  LYS1924           HG1      LYS1924 -12.160  10.045  -3.587
  306    HD2  LYS1924           HD2      LYS1924 -11.598  10.622  -1.289
  307    HD3  LYS1924           HD1      LYS1924 -10.008  11.182  -1.810
  308    HE2  LYS1924           HE2      LYS1924 -11.096  12.867  -3.227
  309    HE3  LYS1924           HE1      LYS1924 -12.667  12.327  -2.628
  310    HZ1  LYS1924           HZ1      LYS1924 -10.494  13.487  -0.950
  311    HZ2  LYS1924           HZ2      LYS1924 -12.019  12.987  -0.406
  312    HZ3  LYS1924           HZ3      LYS1924 -11.887  14.276  -1.464
  313    H    ILE1925           HN       ILE1925  -8.345   6.854  -4.994
  314    HA   ILE1925           HA       ILE1925  -8.636   4.565  -3.223
  315    HB   ILE1925           HB       ILE1925  -6.584   4.971  -5.453
  316   HG12  ILE1925          HG12      ILE1925  -9.024   3.205  -5.289
  317   HG13  ILE1925          HG11      ILE1925  -8.786   4.565  -6.373
  318   HG21  ILE1925          HG21      ILE1925  -5.984   2.624  -5.043
  319   HG22  ILE1925          HG22      ILE1925  -7.136   2.565  -3.709
  320   HG23  ILE1925          HG23      ILE1925  -5.721   3.614  -3.608
  321   HD11  ILE1925          HD11      ILE1925  -6.968   3.345  -7.522
  322   HD12  ILE1925          HD12      ILE1925  -8.471   2.420  -7.558
  323   HD13  ILE1925          HD13      ILE1925  -7.198   1.989  -6.422
  324    H    GLU1926           HN       GLU1926  -8.180   5.338  -1.457
  325    HA   GLU1926           HA       GLU1926  -5.709   6.914  -1.022
  326    HB2  GLU1926           HB2      GLU1926  -8.043   6.495   0.871
  327    HB3  GLU1926           HB1      GLU1926  -6.672   7.561   1.148
  328    HG2  GLU1926           HG2      GLU1926  -7.344   8.924  -0.770
  329    HG3  GLU1926           HG1      GLU1926  -8.711   7.853  -1.052
  330    H    LEU1927           HN       LEU1927  -3.953   5.796  -0.337
  331    HA   LEU1927           HA       LEU1927  -4.396   3.453   1.416
  332    HB2  LEU1927           HB2      LEU1927  -1.989   3.640  -0.391
  333    HB3  LEU1927           HB1      LEU1927  -2.628   2.251   0.441
  334    HG   LEU1927           HG       LEU1927  -2.898   1.814  -1.791
  335   HD11  LEU1927          HD11      LEU1927  -5.560   2.750  -0.821
  336   HD12  LEU1927          HD12      LEU1927  -4.817   1.170  -0.569
  337   HD13  LEU1927          HD13      LEU1927  -5.287   1.676  -2.193
  338   HD21  LEU1927          HD21      LEU1927  -2.496   4.000  -2.723
  339   HD22  LEU1927          HD22      LEU1927  -4.083   4.556  -2.186
  340   HD23  LEU1927          HD23      LEU1927  -3.958   3.313  -3.430
  341    H    ASN1928           HN       ASN1928  -3.195   3.576   3.253
  342    HA   ASN1928           HA       ASN1928  -0.976   5.478   3.144
  343    HB2  ASN1928           HB2      ASN1928  -2.884   6.232   4.645
  344    HB3  ASN1928           HB1      ASN1928  -2.500   4.867   5.688
  345   HD21  ASN1928          HD21      ASN1928  -2.069   6.459   7.339
  346   HD22  ASN1928          HD22      ASN1928  -0.557   7.287   7.355
  347    H    VAL1929           HN       VAL1929   0.804   4.552   3.124
  348    HA   VAL1929           HA       VAL1929   1.073   1.759   3.454
  349    HB   VAL1929           HB       VAL1929   3.267   3.817   3.137
  350   HG11  VAL1929          HG11      VAL1929   4.603   1.956   2.274
  351   HG12  VAL1929          HG12      VAL1929   3.289   0.842   2.643
  352   HG13  VAL1929          HG13      VAL1929   4.119   1.690   3.950
  353   HG21  VAL1929          HG21      VAL1929   1.804   2.192   1.063
  354   HG22  VAL1929          HG22      VAL1929   3.180   3.249   0.756
  355   HG23  VAL1929          HG23      VAL1929   1.653   3.930   1.316
  356    H    CYS1930           HN       CYS1930   0.909   0.875   5.387
  357    HA   CYS1930           HA       CYS1930   1.488   0.113   7.404
  358    HB2  CYS1930           HB2      CYS1930   4.060   1.539   6.821
  359    HB3  CYS1930           HB1      CYS1930   3.820   0.387   8.131
  360    H    ALA1931           HN       ALA1931   0.441   2.933   7.091
  361    HA   ALA1931           HA       ALA1931   0.710   3.606   9.886
  362    HB1  ALA1931           HB1      ALA1931   0.800   5.998   9.281
  363    HB2  ALA1931           HB2      ALA1931   0.906   5.554   7.579
  364    HB3  ALA1931           HB3      ALA1931   2.211   5.126   8.685
  365    H    GLU1932           HN       GLU1932  -1.161   4.386  10.678
  366    HA   GLU1932           HA       GLU1932  -3.560   3.406   9.657
  367    HB2  GLU1932           HB2      GLU1932  -3.077   5.647  11.611
  368    HB3  GLU1932           HB1      GLU1932  -4.611   4.811  11.395
  369    HG2  GLU1932           HG2      GLU1932  -3.731   2.777  12.209
  370    HG3  GLU1932           HG1      GLU1932  -2.080   3.381  12.132
  371    H    ALA1933           HN       ALA1933  -4.797   4.093   8.006
  372    HA   ALA1933           HA       ALA1933  -4.202   6.559   6.697
  373    HB1  ALA1933           HB1      ALA1933  -4.855   4.569   5.410
  374    HB2  ALA1933           HB2      ALA1933  -5.957   5.914   5.114
  375    HB3  ALA1933           HB3      ALA1933  -6.441   4.594   6.180
  376    H    LYS1934           HN       LYS1934  -4.986   8.419   7.177
  377    HA   LYS1934           HA       LYS1934  -7.583   8.538   8.533
  378    HB2  LYS1934           HB2      LYS1934  -5.683   8.773  10.147
  379    HB3  LYS1934           HB1      LYS1934  -5.155  10.200   9.271
  380    HG2  LYS1934           HG2      LYS1934  -7.160  11.389   9.905
  381    HG3  LYS1934           HG1      LYS1934  -7.832   9.936  10.638
  382    HD2  LYS1934           HD2      LYS1934  -6.934  11.471  12.324
  383    HD3  LYS1934           HD1      LYS1934  -6.066   9.940  12.314
  384    HE2  LYS1934           HE2      LYS1934  -4.260  10.969  11.026
  385    HE3  LYS1934           HE1      LYS1934  -5.138  12.499  11.006
  386    HZ1  LYS1934           HZ1      LYS1934  -4.966  12.614  13.394
  387    HZ2  LYS1934           HZ2      LYS1934  -3.412  12.415  12.754
  388    HZ3  LYS1934           HZ3      LYS1934  -4.195  11.120  13.474
  389    H    SER1935           HN       SER1935  -6.557   9.008   5.711
  390    HA   SER1935           HA       SER1935  -6.974  11.750   5.188
  391    HB2  SER1935           HB2      SER1935  -7.382   9.364   3.363
  392    HB3  SER1935           HB1      SER1935  -7.273  11.045   2.841
  393    HG   SER1935           HG       SER1935  -5.167  10.965   4.019
  394    H    SER1936           HN       SER1936  -9.249   9.260   3.943
  395    HA   SER1936           HA       SER1936 -11.420  10.864   5.110
  396    HB2  SER1936           HB2      SER1936 -11.606   8.781   2.928
  397    HB3  SER1936           HB1      SER1936 -12.828   9.966   3.390
  398    HG   SER1936           HG       SER1936 -10.687  10.149   1.768
  399    H    CYS1937           HN       CYS1937  -9.564   8.466   5.855
  400    HA   CYS1937           HA       CYS1937 -11.566   6.498   6.618
  401    HB2  CYS1937           HB2      CYS1937  -8.605   6.226   7.053
  402    HB3  CYS1937           HB1      CYS1937  -9.788   4.974   6.683
  403    H    ALA1938           HN       ALA1938  -9.984   5.537   9.009
  404    HA   ALA1938           HA       ALA1938  -9.758   7.953  10.592
  405    HB1  ALA1938           HB1      ALA1938 -11.314   5.532  11.512
  406    HB2  ALA1938           HB2      ALA1938 -12.015   7.065  10.995
  407    HB3  ALA1938           HB3      ALA1938 -11.010   7.000  12.444
  408    H    ASN1939           HN       ASN1939  -9.605   4.513  11.499
  409    HA   ASN1939           HA       ASN1939  -6.880   5.019  12.144
  410    HB2  ASN1939           HB2      ASN1939  -8.867   3.739  13.970
  411    HB3  ASN1939           HB1      ASN1939  -7.155   3.367  14.126
  412   HD21  ASN1939          HD21      ASN1939  -5.736   5.004  14.671
  413   HD22  ASN1939          HD22      ASN1939  -6.229   6.451  15.448
  414    H    GLY1940           HN       GLY1940  -8.969   2.155  12.245
  415    HA2  GLY1940           HA2      GLY1940  -6.848   0.383  11.653
  416    HA3  GLY1940           HA1      GLY1940  -8.545  -0.011  11.790
  417    H    ALA1941           HN       ALA1941  -7.892   2.379   9.513
  418    HA   ALA1941           HA       ALA1941  -8.309   0.398   7.402
  419    HB1  ALA1941           HB1      ALA1941 -10.027   2.121   7.558
  420    HB2  ALA1941           HB2      ALA1941  -9.123   2.260   6.049
  421    HB3  ALA1941           HB3      ALA1941  -8.798   3.371   7.378
  422    H    ALA1942           HN       ALA1942  -6.915   0.270   5.741
  423    HA   ALA1942           HA       ALA1942  -4.680   2.175   5.689
  424    HB1  ALA1942           HB1      ALA1942  -4.531  -0.771   5.058
  425    HB2  ALA1942           HB2      ALA1942  -3.893   0.008   6.505
  426    HB3  ALA1942           HB3      ALA1942  -3.202   0.380   4.922
  427    H    VAL1943           HN       VAL1943  -6.821   0.031   3.920
  428    HA   VAL1943           HA       VAL1943  -6.227   1.525   1.454
  429    HB   VAL1943           HB       VAL1943  -7.507  -1.220   1.751
  430   HG11  VAL1943          HG11      VAL1943  -6.777   0.313  -0.749
  431   HG12  VAL1943          HG12      VAL1943  -8.411  -0.009  -0.169
  432   HG13  VAL1943          HG13      VAL1943  -7.386  -1.342  -0.700
  433   HG21  VAL1943          HG21      VAL1943  -5.491  -2.055   0.663
  434   HG22  VAL1943          HG22      VAL1943  -5.128  -1.263   2.197
  435   HG23  VAL1943          HG23      VAL1943  -4.817  -0.426   0.674
  436    H    CYS1944           HN       CYS1944  -7.677   2.992   1.040
  437    HA   CYS1944           HA       CYS1944 -10.431   2.522   1.884
  438    HB2  CYS1944           HB2      CYS1944  -8.851   5.079   1.846
  439    HB3  CYS1944           HB1      CYS1944 -10.573   4.954   2.191
  440    H    ILE1945           HN       ILE1945 -11.671   2.298   0.197
  441    HA   ILE1945           HA       ILE1945 -11.117   3.911  -2.184
  442    HB   ILE1945           HB       ILE1945 -13.122   1.630  -1.882
  443   HG12  ILE1945          HG12      ILE1945 -10.860   0.728  -1.660
  444   HG13  ILE1945          HG11      ILE1945 -11.563   0.240  -3.194
  445   HG21  ILE1945          HG21      ILE1945 -13.720   3.209  -3.622
  446   HG22  ILE1945          HG22      ILE1945 -13.224   1.673  -4.333
  447   HG23  ILE1945          HG23      ILE1945 -12.121   3.050  -4.346
  448   HD11  ILE1945          HD11      ILE1945  -9.550   2.441  -2.783
  449   HD12  ILE1945          HD12      ILE1945 -10.250   1.966  -4.331
  450   HD13  ILE1945          HD13      ILE1945  -9.225   0.836  -3.441
  451    H    THR1946           HN       THR1946 -11.889   5.808  -1.454
  452    HA   THR1946           HA       THR1946 -14.265   5.818   0.137
  453    HB   THR1946           HB       THR1946 -12.574   8.186  -0.673
  454    HG1  THR1946           HG1      THR1946 -11.186   7.597   0.917
  455   HG21  THR1946          HG21      THR1946 -13.407   9.096   1.430
  456   HG22  THR1946          HG22      THR1946 -14.224   7.592   1.789
  457   HG23  THR1946          HG23      THR1946 -14.789   8.600   0.443
  458    H    ASP1947           HN       ASP1947 -16.105   5.787  -0.826
  459    HA   ASP1947           HA       ASP1947 -16.498   7.084  -3.415
  460    HB2  ASP1947           HB2      ASP1947 -17.141   4.704  -3.273
  461    HB3  ASP1947           HB1      ASP1947 -18.163   5.054  -1.887
  462    H    GLY1948           HN       GLY1948 -16.755   9.137  -2.824
  463    HA2  GLY1948           HA2      GLY1948 -17.828  11.016  -2.049
  464    HA3  GLY1948           HA1      GLY1948 -19.179   9.979  -1.587
  465    HA   PRO1949           HA       PRO1949 -17.501  10.849   2.490
  466    HB2  PRO1949           HB2      PRO1949 -19.916  10.124   3.743
  467    HB3  PRO1949           HB1      PRO1949 -19.402  11.756   3.325
  468    HG2  PRO1949           HG2      PRO1949 -21.534  10.276   2.184
  469    HG3  PRO1949           HG1      PRO1949 -20.929  11.855   1.667
  470    HD2  PRO1949           HD2      PRO1949 -20.466   9.184   0.507
  471    HD3  PRO1949           HD1      PRO1949 -20.336  10.785  -0.252
  472    H    LYS1950           HN       LYS1950 -19.089   7.986   1.323
  473    HA   LYS1950           HA       LYS1950 -18.521   6.419   3.665
  474    HB2  LYS1950           HB2      LYS1950 -20.578   6.061   2.367
  475    HB3  LYS1950           HB1      LYS1950 -19.612   5.607   0.973
  476    HG2  LYS1950           HG2      LYS1950 -20.506   3.646   2.051
  477    HG3  LYS1950           HG1      LYS1950 -18.751   3.680   2.214
  478    HD2  LYS1950           HD2      LYS1950 -18.947   4.472   4.495
  479    HD3  LYS1950           HD1      LYS1950 -20.703   4.576   4.335
  480    HE2  LYS1950           HE2      LYS1950 -19.086   2.045   4.074
  481    HE3  LYS1950           HE1      LYS1950 -19.958   2.541   5.524
  482    HZ1  LYS1950           HZ1      LYS1950 -22.011   2.349   4.402
  483    HZ2  LYS1950           HZ2      LYS1950 -21.176   0.929   4.035
  484    HZ3  LYS1950           HZ3      LYS1950 -21.312   2.162   2.898
  485    H    THR1951           HN       THR1951 -16.683   5.572   4.001
  486    HA   THR1951           HA       THR1951 -14.727   5.351   1.861
  487    HB   THR1951           HB       THR1951 -14.431   5.020   4.841
  488    HG1  THR1951           HG1      THR1951 -15.258   7.090   3.645
  489   HG21  THR1951          HG21      THR1951 -12.557   4.181   3.478
  490   HG22  THR1951          HG22      THR1951 -12.098   5.627   4.378
  491   HG23  THR1951          HG23      THR1951 -12.470   5.737   2.656
  492    H    LEU1952           HN       LEU1952 -14.752   3.364   0.837
  493    HA   LEU1952           HA       LEU1952 -15.609   0.958   2.159
  494    HB2  LEU1952           HB2      LEU1952 -16.022   1.355  -0.241
  495    HB3  LEU1952           HB1      LEU1952 -14.300   1.432  -0.529
  496    HG   LEU1952           HG       LEU1952 -14.136  -0.966   0.144
  497   HD11  LEU1952          HD11      LEU1952 -17.139  -0.815   0.108
  498   HD12  LEU1952          HD12      LEU1952 -16.116  -1.105   1.520
  499   HD13  LEU1952          HD13      LEU1952 -16.179  -2.291   0.216
  500   HD21  LEU1952          HD21      LEU1952 -15.092  -1.837  -1.935
  501   HD22  LEU1952          HD22      LEU1952 -14.241  -0.315  -2.202
  502   HD23  LEU1952          HD23      LEU1952 -16.005  -0.344  -2.142
  503    H    ASN1953           HN       ASN1953 -14.299  -0.152   3.489
  504    HA   ASN1953           HA       ASN1953 -11.442   0.387   3.312
  505    HB2  ASN1953           HB2      ASN1953 -13.063  -0.924   5.505
  506    HB3  ASN1953           HB1      ASN1953 -11.315  -0.750   5.537
  507   HD21  ASN1953          HD21      ASN1953 -11.404   1.921   4.310
  508   HD22  ASN1953          HD22      ASN1953 -11.965   2.983   5.544
  509    H    ALA1954           HN       ALA1954 -10.593  -0.852   1.836
  510    HA   ALA1954           HA       ALA1954 -11.455  -3.620   1.579
  511    HB1  ALA1954           HB1      ALA1954  -9.990  -3.709  -0.375
  512    HB2  ALA1954           HB2      ALA1954  -9.361  -2.107   0.012
  513    HB3  ALA1954           HB3      ALA1954 -11.050  -2.301  -0.453
  514    H    GLY1955           HN       GLY1955  -8.993  -1.834   3.109
  515    HA2  GLY1955           HA2      GLY1955  -7.802  -4.324   4.011
  516    HA3  GLY1955           HA1      GLY1955  -6.743  -3.174   3.208
  517    H    LYS1956           HN       LYS1956  -7.253  -4.267   6.056
  518    HA   LYS1956           HA       LYS1956  -7.569  -1.841   7.576
  519    HB2  LYS1956           HB2      LYS1956  -7.246  -3.210   9.522
  520    HB3  LYS1956           HB1      LYS1956  -8.353  -4.053   8.447
  521    HG2  LYS1956           HG2      LYS1956  -6.546  -5.521   7.712
  522    HG3  LYS1956           HG1      LYS1956  -5.404  -4.640   8.723
  523    HD2  LYS1956           HD2      LYS1956  -7.813  -6.132   9.746
  524    HD3  LYS1956           HD1      LYS1956  -6.179  -6.785   9.700
  525    HE2  LYS1956           HE2      LYS1956  -7.041  -4.321  11.215
  526    HE3  LYS1956           HE1      LYS1956  -6.792  -5.917  11.919
  527    HZ1  LYS1956           HZ1      LYS1956  -4.443  -5.758  11.131
  528    HZ2  LYS1956           HZ2      LYS1956  -4.872  -4.638  12.314
  529    HZ3  LYS1956           HZ3      LYS1956  -4.712  -4.126  10.739
  530    H    LEU1957           HN       LEU1957  -5.900  -1.181   9.073
  531    HA   LEU1957           HA       LEU1957  -3.425  -0.931   7.754
  532    HB2  LEU1957           HB2      LEU1957  -4.364   0.813   9.276
  533    HB3  LEU1957           HB1      LEU1957  -4.091  -0.254  10.633
  534    HG   LEU1957           HG       LEU1957  -2.408   1.672  10.211
  535   HD11  LEU1957          HD11      LEU1957  -1.343  -1.129  10.533
  536   HD12  LEU1957          HD12      LEU1957  -1.945  -0.097  11.839
  537   HD13  LEU1957          HD13      LEU1957  -0.493   0.358  10.939
  538   HD21  LEU1957          HD21      LEU1957  -0.590   1.120   8.686
  539   HD22  LEU1957          HD22      LEU1957  -2.122   1.325   7.838
  540   HD23  LEU1957          HD23      LEU1957  -1.484  -0.296   8.133
  541    H    SER1958           HN       SER1958  -1.804  -2.209   7.729
  542    HA   SER1958           HA       SER1958  -1.429  -4.121   9.888
  543    HB2  SER1958           HB2      SER1958  -1.053  -4.687   6.930
  544    HB3  SER1958           HB1      SER1958  -0.879  -5.837   8.260
  545    HG   SER1958           HG       SER1958  -3.252  -4.546   7.385
  546    H    LYS1959           HN       LYS1959   0.353  -3.348  10.822
  547    HA   LYS1959           HA       LYS1959   2.323  -1.931   9.237
  548    HB2  LYS1959           HB2      LYS1959   1.453  -0.998  11.308
  549    HB3  LYS1959           HB1      LYS1959   2.092  -2.359  12.231
  550    HG2  LYS1959           HG2      LYS1959   4.339  -1.605  11.574
  551    HG3  LYS1959           HG1      LYS1959   3.604  -0.243  10.726
  552    HD2  LYS1959           HD2      LYS1959   3.265  -0.815  13.679
  553    HD3  LYS1959           HD1      LYS1959   4.392   0.361  13.010
  554    HE2  LYS1959           HE2      LYS1959   2.516   1.635  12.072
  555    HE3  LYS1959           HE1      LYS1959   1.379   0.443  12.683
  556    HZ1  LYS1959           HZ1      LYS1959   1.954   1.012  14.921
  557    HZ2  LYS1959           HZ2      LYS1959   1.532   2.411  14.099
  558    HZ3  LYS1959           HZ3      LYS1959   3.153   2.089  14.426
  559    H    THR1960           HN       THR1960   2.849  -3.841   8.125
  560    HA   THR1960           HA       THR1960   4.943  -5.365   9.340
  561    HB   THR1960           HB       THR1960   2.928  -6.749   9.753
  562    HG1  THR1960           HG1      THR1960   3.607  -8.518   8.035
  563   HG21  THR1960          HG21      THR1960   1.568  -7.614   7.877
  564   HG22  THR1960          HG22      THR1960   2.463  -6.576   6.766
  565   HG23  THR1960          HG23      THR1960   1.449  -5.859   8.019
  566    H    LEU1961           HN       LEU1961   6.239  -6.273   7.582
  567    HA   LEU1961           HA       LEU1961   5.508  -5.382   4.940
  568    HB2  LEU1961           HB2      LEU1961   6.884  -3.583   6.047
  569    HB3  LEU1961           HB1      LEU1961   8.197  -4.734   6.154
  570    HG   LEU1961           HG       LEU1961   8.300  -4.877   3.733
  571   HD11  LEU1961          HD11      LEU1961   5.945  -4.475   3.227
  572   HD12  LEU1961          HD12      LEU1961   6.966  -3.337   2.348
  573   HD13  LEU1961          HD13      LEU1961   6.095  -2.812   3.790
  574   HD21  LEU1961          HD21      LEU1961   9.664  -3.208   4.849
  575   HD22  LEU1961          HD22      LEU1961   8.328  -2.056   4.798
  576   HD23  LEU1961          HD23      LEU1961   9.093  -2.586   3.300
  577    H    THR1962           HN       THR1962   6.465  -6.707   3.310
  578    HA   THR1962           HA       THR1962   8.225  -8.788   4.184
  579    HB   THR1962           HB       THR1962   6.196  -9.844   4.789
  580    HG1  THR1962           HG1      THR1962   5.836 -11.250   2.691
  581   HG21  THR1962          HG21      THR1962   4.982  -8.928   2.180
  582   HG22  THR1962          HG22      THR1962   4.623  -8.331   3.804
  583   HG23  THR1962          HG23      THR1962   4.188  -9.984   3.360
  584    H    TYR1963           HN       TYR1963   8.534 -10.273   2.051
  585    HA   TYR1963           HA       TYR1963   8.315  -8.682  -0.324
  586    HB2  TYR1963           HB2      TYR1963  10.740  -8.815  -0.892
  587    HB3  TYR1963           HB1      TYR1963  10.432  -7.806   0.509
  588    HD1  TYR1963           HD2      TYR1963  11.126  -8.573   2.751
  589    HD2  TYR1963           HD1      TYR1963  11.997 -10.837  -0.734
  590    HE1  TYR1963           HE2      TYR1963  12.807  -9.850   4.008
  591    HE2  TYR1963           HE1      TYR1963  13.674 -12.114   0.507
  592    HH   TYR1963           HH       TYR1963  15.071 -11.822   2.434
  593    H    GLU1964           HN       GLU1964   8.317  -9.845  -2.134
  594    HA   GLU1964           HA       GLU1964   8.899 -12.681  -2.052
  595    HB2  GLU1964           HB2      GLU1964   6.204 -11.546  -2.875
  596    HB3  GLU1964           HB1      GLU1964   6.720 -13.202  -3.153
  597    HG2  GLU1964           HG2      GLU1964   6.812 -13.593  -0.765
  598    HG3  GLU1964           HG1      GLU1964   6.378 -11.915  -0.459
  599    H    ASP1965           HN       ASP1965   9.519 -13.402  -4.045
  600    HA   ASP1965           HA       ASP1965  10.394 -13.309  -6.158
  601    HB2  ASP1965           HB2      ASP1965   8.583 -10.888  -6.573
  602    HB3  ASP1965           HB1      ASP1965   9.462 -11.722  -7.845
  603    H    GLN1966           HN       GLN1966  11.260 -11.700  -3.786
  604    HA   GLN1966           HA       GLN1966  12.771 -10.295  -3.083
  605    HB2  GLN1966           HB2      GLN1966  13.827 -10.468  -5.895
  606    HB3  GLN1966           HB1      GLN1966  14.634  -9.550  -4.627
  607    HG2  GLN1966           HG2      GLN1966  14.767 -11.601  -3.274
  608    HG3  GLN1966           HG1      GLN1966  14.052 -12.497  -4.612
  609   HE21  GLN1966          HE21      GLN1966  15.273 -12.956  -6.381
  610   HE22  GLN1966          HE22      GLN1966  16.977 -12.705  -6.464
  611    H    VAL1967           HN       VAL1967  10.373  -9.357  -4.877
  612    HA   VAL1967           HA       VAL1967  11.037  -6.516  -4.900
  613    HB   VAL1967           HB       VAL1967   8.373  -7.827  -5.671
  614   HG11  VAL1967          HG11      VAL1967   8.211  -5.471  -5.254
  615   HG12  VAL1967          HG12      VAL1967   7.974  -5.831  -6.966
  616   HG13  VAL1967          HG13      VAL1967   9.504  -5.156  -6.410
  617   HG21  VAL1967          HG21      VAL1967   9.082  -7.730  -8.010
  618   HG22  VAL1967          HG22      VAL1967  10.121  -8.802  -7.070
  619   HG23  VAL1967          HG23      VAL1967  10.684  -7.187  -7.506
  620    H    LEU1968           HN       LEU1968   9.596  -5.081  -3.575
  621    HA   LEU1968           HA       LEU1968   9.225  -6.377  -1.028
  622    HB2  LEU1968           HB2      LEU1968  10.317  -4.150  -1.326
  623    HB3  LEU1968           HB1      LEU1968   8.778  -3.508  -1.849
  624    HG   LEU1968           HG       LEU1968   7.838  -3.939   0.367
  625   HD11  LEU1968          HD11      LEU1968   9.379  -4.586   2.184
  626   HD12  LEU1968          HD12      LEU1968  10.627  -4.900   0.977
  627   HD13  LEU1968          HD13      LEU1968   9.150  -5.864   0.994
  628   HD21  LEU1968          HD21      LEU1968   9.121  -2.261   1.569
  629   HD22  LEU1968          HD22      LEU1968   8.886  -1.801  -0.117
  630   HD23  LEU1968          HD23      LEU1968  10.444  -2.437   0.416
  631    H    LYS1969           HN       LYS1969   7.219  -6.755  -0.070
  632    HA   LYS1969           HA       LYS1969   4.895  -5.936  -1.598
  633    HB2  LYS1969           HB2      LYS1969   5.546  -8.823  -1.003
  634    HB3  LYS1969           HB1      LYS1969   3.927  -8.276  -1.413
  635    HG2  LYS1969           HG2      LYS1969   4.716  -7.497  -3.587
  636    HG3  LYS1969           HG1      LYS1969   6.364  -7.968  -3.172
  637    HD2  LYS1969           HD2      LYS1969   5.624 -10.306  -2.992
  638    HD3  LYS1969           HD1      LYS1969   3.991  -9.814  -3.444
  639    HE2  LYS1969           HE2      LYS1969   6.422  -9.354  -5.172
  640    HE3  LYS1969           HE1      LYS1969   5.392 -10.772  -5.306
  641    HZ1  LYS1969           HZ1      LYS1969   4.849  -8.965  -6.919
  642    HZ2  LYS1969           HZ2      LYS1969   4.302  -7.992  -5.654
  643    HZ3  LYS1969           HZ3      LYS1969   3.590  -9.470  -5.979
  644    H    LEU1970           HN       LEU1970   2.882  -6.327  -0.542
  645    HA   LEU1970           HA       LEU1970   2.810  -6.808   2.267
  646    HB2  LEU1970           HB2      LEU1970   3.669  -4.512   2.194
  647    HB3  LEU1970           HB1      LEU1970   2.377  -4.059   1.110
  648    HG   LEU1970           HG       LEU1970   0.753  -4.212   2.872
  649   HD11  LEU1970          HD11      LEU1970   3.020  -5.183   4.616
  650   HD12  LEU1970          HD12      LEU1970   1.672  -6.167   4.042
  651   HD13  LEU1970          HD13      LEU1970   1.377  -4.826   5.151
  652   HD21  LEU1970          HD21      LEU1970   2.058  -2.171   2.680
  653   HD22  LEU1970          HD22      LEU1970   3.259  -2.825   3.793
  654   HD23  LEU1970          HD23      LEU1970   1.619  -2.495   4.357
  655    H    VAL1971           HN       VAL1971   0.610  -6.996   2.922
  656    HA   VAL1971           HA       VAL1971  -1.322  -6.911   0.740
  657    HB   VAL1971           HB       VAL1971  -2.422  -8.928   1.689
  658   HG11  VAL1971          HG11      VAL1971   0.451  -9.363   0.896
  659   HG12  VAL1971          HG12      VAL1971  -0.922  -9.196  -0.198
  660   HG13  VAL1971          HG13      VAL1971  -0.814 -10.591   0.875
  661   HG21  VAL1971          HG21      VAL1971   0.051  -9.143   3.419
  662   HG22  VAL1971          HG22      VAL1971  -1.205 -10.371   3.266
  663   HG23  VAL1971          HG23      VAL1971  -1.587  -8.804   3.984
  664    H    TYR1972           HN       TYR1972  -3.227  -6.070   1.229
  665    HA   TYR1972           HA       TYR1972  -3.753  -5.514   4.042
  666    HB2  TYR1972           HB2      TYR1972  -4.046  -3.549   1.754
  667    HB3  TYR1972           HB1      TYR1972  -4.962  -3.394   3.243
  668    HD1  TYR1972           HD2      TYR1972  -2.977  -4.049   5.300
  669    HD2  TYR1972           HD1      TYR1972  -2.533  -1.851   1.698
  670    HE1  TYR1972           HE2      TYR1972  -1.043  -2.868   6.259
  671    HE2  TYR1972           HE1      TYR1972  -0.605  -0.686   2.634
  672    HH   TYR1972           HH       TYR1972   0.265  -0.105   4.824
  673    H    GLU1973           HN       GLU1973  -5.533  -6.332   4.735
  674    HA   GLU1973           HA       GLU1973  -7.822  -6.656   2.966
  675    HB2  GLU1973           HB2      GLU1973  -8.150  -8.935   3.837
  676    HB3  GLU1973           HB1      GLU1973  -6.676  -8.801   2.891
  677    HG2  GLU1973           HG2      GLU1973  -5.408  -8.606   5.025
  678    HG3  GLU1973           HG1      GLU1973  -6.911  -8.914   5.893
  679    H    ASP1974           HN       ASP1974  -9.700  -7.273   4.346
  680    HA   ASP1974           HA       ASP1974 -11.055  -7.207   6.109
  681    HB2  ASP1974           HB2      ASP1974  -9.425  -8.149   7.634
  682    HB3  ASP1974           HB1      ASP1974  -8.645  -6.586   7.842
  683    H    GLY1975           HN       GLY1975 -12.481  -5.914   6.695
  684    HA2  GLY1975           HA2      GLY1975 -12.635  -3.463   7.626
  685    HA3  GLY1975           HA1      GLY1975 -12.201  -3.145   5.939
  686    H    ASP1976           HN       ASP1976 -13.486  -3.931   4.323
  687    HA   ASP1976           HA       ASP1976 -16.239  -4.645   5.043
  688    HB2  ASP1976           HB2      ASP1976 -15.208  -2.818   2.851
  689    HB3  ASP1976           HB1      ASP1976 -16.832  -3.476   2.860
  690    HA   PRO1977           HA       PRO1977 -15.313  -7.769   1.936
  691    HB2  PRO1977           HB2      PRO1977 -17.801  -8.732   1.485
  692    HB3  PRO1977           HB1      PRO1977 -16.954  -9.039   3.003
  693    HG2  PRO1977           HG2      PRO1977 -19.217  -7.220   2.441
  694    HG3  PRO1977           HG1      PRO1977 -18.763  -8.019   3.952
  695    HD2  PRO1977           HD2      PRO1977 -18.243  -5.324   3.186
  696    HD3  PRO1977           HD1      PRO1977 -17.671  -6.158   4.643
  697    H    CYS1978           HN       CYS1978 -16.937  -8.418  -0.267
  698    HA   CYS1978           HA       CYS1978 -17.005  -5.854  -1.685
  699    HB2  CYS1978           HB2      CYS1978 -16.753  -8.674  -2.766
  700    HB3  CYS1978           HB1      CYS1978 -16.738  -7.202  -3.730
  701    HA   PRO1979           HA       PRO1979 -21.429  -6.465  -2.160
  702    HB2  PRO1979           HB2      PRO1979 -21.179  -5.358  -4.897
  703    HB3  PRO1979           HB1      PRO1979 -22.120  -4.759  -3.523
  704    HG2  PRO1979           HG2      PRO1979 -19.915  -3.483  -4.361
  705    HG3  PRO1979           HG1      PRO1979 -20.331  -3.584  -2.639
  706    HD2  PRO1979           HD2      PRO1979 -18.326  -5.171  -4.201
  707    HD3  PRO1979           HD1      PRO1979 -18.188  -4.476  -2.572
  708    H    THR1980           HN       THR1980 -19.196  -7.230  -4.740
  709    HA   THR1980           HA       THR1980 -20.690  -9.006  -6.264
  710    HB   THR1980           HB       THR1980 -17.734  -9.167  -5.800
  711    HG1  THR1980           HG1      THR1980 -19.150  -7.131  -7.261
  712   HG21  THR1980          HG21      THR1980 -17.750  -9.481  -8.242
  713   HG22  THR1980          HG22      THR1980 -19.501  -9.290  -8.249
  714   HG23  THR1980          HG23      THR1980 -18.769 -10.673  -7.437
  715    H    ASP1981           HN       ASP1981 -18.418  -9.463  -3.546
  716    HA   ASP1981           HA       ASP1981 -19.619 -12.040  -2.978
  717    HB2  ASP1981           HB2      ASP1981 -17.524 -12.386  -4.354
  718    HB3  ASP1981           HB1      ASP1981 -16.622 -11.652  -3.027
  719    H    LEU1982           HN       LEU1982 -20.348 -11.758  -1.030
  720    HA   LEU1982           HA       LEU1982 -19.018  -9.867   0.772
  721    HB2  LEU1982           HB2      LEU1982 -21.644 -11.281   1.222
  722    HB3  LEU1982           HB1      LEU1982 -20.995  -9.943   2.139
  723    HG   LEU1982           HG       LEU1982 -21.202  -8.655  -0.110
  724   HD11  LEU1982          HD11      LEU1982 -22.967 -11.012  -0.592
  725   HD12  LEU1982          HD12      LEU1982 -21.736 -10.313  -1.657
  726   HD13  LEU1982          HD13      LEU1982 -23.243  -9.451  -1.365
  727   HD21  LEU1982          HD21      LEU1982 -23.492  -8.003   0.474
  728   HD22  LEU1982          HD22      LEU1982 -22.467  -8.129   1.902
  729   HD23  LEU1982          HD23      LEU1982 -23.617  -9.413   1.524
  730    H    LYS1983           HN       LYS1983 -18.906 -13.054   0.081
  731    HA   LYS1983           HA       LYS1983 -19.069 -13.925   2.815
  732    HB2  LYS1983           HB2      LYS1983 -19.248 -16.181   1.993
  733    HB3  LYS1983           HB1      LYS1983 -20.290 -15.078   1.087
  734    HG2  LYS1983           HG2      LYS1983 -18.887 -15.090  -0.770
  735    HG3  LYS1983           HG1      LYS1983 -17.629 -15.965   0.116
  736    HD2  LYS1983           HD2      LYS1983 -19.109 -17.915   0.324
  737    HD3  LYS1983           HD1      LYS1983 -20.382 -17.055  -0.533
  738    HE2  LYS1983           HE2      LYS1983 -17.689 -17.774  -1.707
  739    HE3  LYS1983           HE1      LYS1983 -19.164 -18.703  -1.937
  740    HZ1  LYS1983           HZ1      LYS1983 -18.887 -17.321  -3.830
  741    HZ2  LYS1983           HZ2      LYS1983 -18.576 -15.959  -2.906
  742    HZ3  LYS1983           HZ3      LYS1983 -20.132 -16.607  -2.930
  743    H    MET1984           HN       MET1984 -16.660 -12.421   1.356
  744    HA   MET1984           HA       MET1984 -14.760 -13.587   3.006
  745    HB2  MET1984           HB2      MET1984 -13.180 -14.235   1.360
  746    HB3  MET1984           HB1      MET1984 -14.678 -15.020   0.876
  747    HG2  MET1984           HG2      MET1984 -15.069 -13.321  -0.790
  748    HG3  MET1984           HG1      MET1984 -13.638 -12.441  -0.263
  749    HE1  MET1984           HE1      MET1984 -12.529 -13.587  -3.724
  750    HE2  MET1984           HE2      MET1984 -12.708 -12.282  -2.537
  751    HE3  MET1984           HE3      MET1984 -14.140 -13.056  -3.204
  752    H    LYS1985           HN       LYS1985 -12.962 -12.331   2.807
  753    HA   LYS1985           HA       LYS1985 -13.153  -9.754   1.463
  754    HB2  LYS1985           HB2      LYS1985 -12.136  -8.580   3.469
  755    HB3  LYS1985           HB1      LYS1985 -13.769  -9.156   3.734
  756    HG2  LYS1985           HG2      LYS1985 -12.766 -11.140   4.917
  757    HG3  LYS1985           HG1      LYS1985 -11.204 -10.327   4.792
  758    HD2  LYS1985           HD2      LYS1985 -12.060  -8.435   6.066
  759    HD3  LYS1985           HD1      LYS1985 -13.660  -9.180   6.132
  760    HE2  LYS1985           HE2      LYS1985 -12.603 -11.118   7.329
  761    HE3  LYS1985           HE1      LYS1985 -11.116 -10.177   7.406
  762    HZ1  LYS1985           HZ1      LYS1985 -12.367  -8.457   8.646
  763    HZ2  LYS1985           HZ2      LYS1985 -12.353  -9.916   9.461
  764    HZ3  LYS1985           HZ3      LYS1985 -13.727  -9.453   8.626
  765    H    HIS1986           HN       HIS1986 -11.685 -10.095  -0.062
  766    HA   HIS1986           HA       HIS1986  -9.351 -11.644   0.697
  767    HB2  HIS1986           HB2      HIS1986 -10.670 -12.248  -1.383
  768    HB3  HIS1986           HB1      HIS1986 -10.038 -10.783  -2.124
  769    HD1  HIS1986           HD1      HIS1986  -8.229 -11.534  -3.764
  770    HD2  HIS1986           HD2      HIS1986  -8.117 -13.663  -0.180
  771    HE1  HIS1986           HE1      HIS1986  -6.256 -13.019  -3.920
  772    HE2  HIS1986           HE2      HIS1986  -6.152 -14.258  -1.727
  773    H    LYS1987           HN       LYS1987  -7.417 -10.964   0.844
  774    HA   LYS1987           HA       LYS1987  -6.727  -8.349   1.252
  775    HB2  LYS1987           HB2      LYS1987  -4.410  -9.163   1.291
  776    HB3  LYS1987           HB1      LYS1987  -5.505 -10.173   2.217
  777    HG2  LYS1987           HG2      LYS1987  -5.568 -11.773   0.324
  778    HG3  LYS1987           HG1      LYS1987  -4.386 -10.772  -0.519
  779    HD2  LYS1987           HD2      LYS1987  -2.820 -12.015   0.481
  780    HD3  LYS1987           HD1      LYS1987  -3.239 -11.165   1.963
  781    HE2  LYS1987           HE2      LYS1987  -4.417 -13.789   1.024
  782    HE3  LYS1987           HE1      LYS1987  -3.204 -13.598   2.276
  783    HZ1  LYS1987           HZ1      LYS1987  -6.027 -12.629   2.411
  784    HZ2  LYS1987           HZ2      LYS1987  -4.880 -12.338   3.578
  785    HZ3  LYS1987           HZ3      LYS1987  -5.362 -13.924   3.241
  786    H    SER1988           HN       SER1988  -5.732  -6.800   0.158
  787    HA   SER1988           HA       SER1988  -5.522  -7.052  -2.722
  788    HB2  SER1988           HB2      SER1988  -5.142  -4.550  -2.584
  789    HB3  SER1988           HB1      SER1988  -6.715  -5.084  -1.969
  790    HG   SER1988           HG       SER1988  -5.822  -4.940   0.151
  791    H    TYR1989           HN       TYR1989  -3.521  -6.650  -3.793
  792    HA   TYR1989           HA       TYR1989  -1.278  -7.283  -2.052
  793    HB2  TYR1989           HB2      TYR1989  -1.734  -7.867  -4.972
  794    HB3  TYR1989           HB1      TYR1989  -0.250  -8.219  -4.094
  795    HD1  TYR1989           HD2      TYR1989  -0.192 -10.003  -2.423
  796    HD2  TYR1989           HD1      TYR1989  -3.730  -9.178  -4.628
  797    HE1  TYR1989           HE2      TYR1989  -1.111 -12.175  -1.751
  798    HE2  TYR1989           HE1      TYR1989  -4.658 -11.354  -3.962
  799    HH   TYR1989           HH       TYR1989  -3.311 -13.161  -1.486
  800    H    PHE1990           HN       PHE1990   0.143  -5.824  -1.739
  801    HA   PHE1990           HA       PHE1990   0.467  -3.653  -3.664
  802    HB2  PHE1990           HB2      PHE1990   1.090  -3.880  -0.715
  803    HB3  PHE1990           HB1      PHE1990   1.718  -2.583  -1.717
  804    HD1  PHE1990           HD1      PHE1990  -1.439  -4.194  -0.653
  805    HD2  PHE1990           HD2      PHE1990   0.468  -0.635  -1.984
  806    HE1  PHE1990           HE1      PHE1990  -3.503  -2.937  -0.232
  807    HE2  PHE1990           HE2      PHE1990  -1.590   0.629  -1.562
  808    HZ   PHE1990           HZ       PHE1990  -3.547  -0.452  -0.734
  809    H    SER1991           HN       SER1991   2.250  -3.621  -4.773
  810    HA   SER1991           HA       SER1991   4.540  -5.140  -3.795
  811    HB2  SER1991           HB2      SER1991   3.642  -4.797  -6.664
  812    HB3  SER1991           HB1      SER1991   5.093  -5.656  -6.129
  813    HG   SER1991           HG       SER1991   2.559  -6.272  -5.135
  814    H    PHE1992           HN       PHE1992   6.128  -3.906  -3.379
  815    HA   PHE1992           HA       PHE1992   6.155  -1.191  -4.401
  816    HB2  PHE1992           HB2      PHE1992   7.590  -2.419  -2.032
  817    HB3  PHE1992           HB1      PHE1992   7.603  -0.719  -2.481
  818    HD1  PHE1992           HD2      PHE1992   5.641   0.680  -2.122
  819    HD2  PHE1992           HD1      PHE1992   5.672  -3.411  -0.969
  820    HE1  PHE1992           HE2      PHE1992   3.666   1.064  -0.727
  821    HE2  PHE1992           HE1      PHE1992   3.687  -3.033   0.436
  822    HZ   PHE1992           HZ       PHE1992   2.634  -0.816   0.498
  823    H    VAL1993           HN       VAL1993   7.394  -0.930  -6.002
  824    HA   VAL1993           HA       VAL1993   9.785  -2.568  -6.303
  825    HB   VAL1993           HB       VAL1993   8.395  -3.233  -8.097
  826   HG11  VAL1993          HG11      VAL1993   6.676  -1.588  -7.829
  827   HG12  VAL1993          HG12      VAL1993   7.142  -1.718  -9.524
  828   HG13  VAL1993          HG13      VAL1993   7.696  -0.342  -8.557
  829   HG21  VAL1993          HG21      VAL1993   9.394  -2.342 -10.143
  830   HG22  VAL1993          HG22      VAL1993  10.635  -2.623  -8.907
  831   HG23  VAL1993          HG23      VAL1993  10.041  -0.985  -9.225
  832    H    CYS1994           HN       CYS1994  11.687  -1.604  -6.599
  833    HA   CYS1994           HA       CYS1994  11.856   1.060  -5.787
  834    HB2  CYS1994           HB2      CYS1994  14.371   0.632  -6.252
  835    HB3  CYS1994           HB1      CYS1994  13.556  -0.133  -4.894
  836    H    LYS1995           HN       LYS1995  11.092   2.404  -7.057
  837    HA   LYS1995           HA       LYS1995  12.369   2.769  -9.651
  838    HB2  LYS1995           HB2      LYS1995   9.883   2.929  -9.563
  839    HB3  LYS1995           HB1      LYS1995  10.024   4.232  -8.395
  840    HG2  LYS1995           HG2      LYS1995  11.010   5.673 -10.029
  841    HG3  LYS1995           HG1      LYS1995  11.117   4.350 -11.195
  842    HD2  LYS1995           HD2      LYS1995   8.667   4.174 -11.195
  843    HD3  LYS1995           HD1      LYS1995   8.581   5.517 -10.058
  844    HE2  LYS1995           HE2      LYS1995   8.151   6.150 -12.422
  845    HE3  LYS1995           HE1      LYS1995   9.482   7.028 -11.673
  846    HZ1  LYS1995           HZ1      LYS1995  11.047   5.792 -12.861
  847    HZ2  LYS1995           HZ2      LYS1995   9.862   6.154 -14.007
  848    HZ3  LYS1995           HZ3      LYS1995   9.950   4.619 -13.361
  849    H    SER1996           HN       SER1996  14.183   3.752  -9.423
  850    HA   SER1996           HA       SER1996  14.893   5.086  -7.009
  851    HB2  SER1996           HB2      SER1996  16.345   3.587  -8.537
  852    HB3  SER1996           HB1      SER1996  16.505   5.007  -9.563
  853    HG   SER1996           HG       SER1996  17.827   4.345  -7.371
  854    H    ASP1997           HN       ASP1997  13.815   5.980 -10.196
  855    HA   ASP1997           HA       ASP1997  14.464   8.776  -9.807
  856    HB2  ASP1997           HB2      ASP1997  13.655   9.158 -12.063
  857    HB3  ASP1997           HB1      ASP1997  14.695   7.747 -12.069
  858    H    ALA1998           HN       ALA1998  12.335   7.125  -8.274
  859    HA   ALA1998           HA       ALA1998   9.909   8.614  -8.762
  860    HB1  ALA1998           HB1      ALA1998   9.794   6.309  -7.915
  861    HB2  ALA1998           HB2      ALA1998   9.004   7.439  -6.814
  862    HB3  ALA1998           HB3      ALA1998  10.609   6.815  -6.436
  863    H    GLY1999           HN       GLY1999  12.759   9.076  -7.013
  864    HA2  GLY1999           HA2      GLY1999  13.540  10.911  -5.932
  865    HA3  GLY1999           HA1      GLY1999  12.058  11.737  -6.378
  866    H    ASP2000           HN       ASP2000  10.980  12.429  -4.766
  867    HA   ASP2000           HA       ASP2000  11.331  11.197  -2.104
  868    HB2  ASP2000           HB2      ASP2000  12.121  13.553  -2.439
  869    HB3  ASP2000           HB1      ASP2000  10.470  14.012  -2.817
  870    H    ASP2001           HN       ASP2001   9.167  11.679  -4.633
  871    HA   ASP2001           HA       ASP2001   6.750  11.980  -3.085
  872    HB2  ASP2001           HB2      ASP2001   7.105  11.408  -6.035
  873    HB3  ASP2001           HB1      ASP2001   5.550  11.645  -5.259
  874    H    SER2002           HN       SER2002   7.900   9.410  -5.242
  875    HA   SER2002           HA       SER2002   7.554   7.184  -5.357
  876    HB2  SER2002           HB2      SER2002   6.463   7.405  -2.532
  877    HB3  SER2002           HB1      SER2002   6.903   5.904  -3.348
  878    HG   SER2002           HG       SER2002   8.564   8.045  -2.570
  879    H    GLN2003           HN       GLN2003   6.107   6.902  -6.920
  880    HA   GLN2003           HA       GLN2003   3.330   7.650  -6.442
  881    HB2  GLN2003           HB2      GLN2003   3.049   7.457  -8.901
  882    HB3  GLN2003           HB1      GLN2003   4.231   8.655  -8.398
  883    HG2  GLN2003           HG2      GLN2003   6.046   7.168  -8.991
  884    HG3  GLN2003           HG1      GLN2003   4.903   5.886  -9.387
  885   HE21  GLN2003          HE21      GLN2003   3.732   6.023 -11.292
  886   HE22  GLN2003          HE22      GLN2003   4.148   7.120 -12.547
  887    HA   PRO2004           HA       PRO2004   2.079   3.375  -6.430
  888    HB2  PRO2004           HB2      PRO2004  -0.508   3.840  -5.775
  889    HB3  PRO2004           HB1      PRO2004   0.803   3.925  -4.599
  890    HG2  PRO2004           HG2      PRO2004  -0.757   6.092  -5.830
  891    HG3  PRO2004           HG1      PRO2004   0.120   6.099  -4.301
  892    HD2  PRO2004           HD2      PRO2004   0.943   7.195  -6.806
  893    HD3  PRO2004           HD1      PRO2004   1.880   7.120  -5.306
  894    H    VAL2005           HN       VAL2005   1.805   2.390  -8.364
  895    HA   VAL2005           HA       VAL2005  -0.199   3.480 -10.192
  896    HB   VAL2005           HB       VAL2005   2.132   1.642 -10.848
  897   HG11  VAL2005          HG11      VAL2005   0.225   1.331 -12.328
  898   HG12  VAL2005          HG12      VAL2005   1.551   2.111 -13.190
  899   HG13  VAL2005          HG13      VAL2005   0.172   3.065 -12.644
  900   HG21  VAL2005          HG21      VAL2005   3.132   3.572 -11.991
  901   HG22  VAL2005          HG22      VAL2005   2.939   3.873 -10.264
  902   HG23  VAL2005          HG23      VAL2005   1.814   4.593 -11.415
  903    H    PHE2006           HN       PHE2006  -2.008   2.397  -9.978
  904    HA   PHE2006           HA       PHE2006  -1.906  -0.278  -8.925
  905    HB2  PHE2006           HB2      PHE2006  -4.327  -0.140  -8.671
  906    HB3  PHE2006           HB1      PHE2006  -3.568   1.305  -8.043
  907    HD1  PHE2006           HD2      PHE2006  -3.614   3.398  -9.443
  908    HD2  PHE2006           HD1      PHE2006  -6.033  -0.004 -10.269
  909    HE1  PHE2006           HE2      PHE2006  -5.098   4.786 -10.819
  910    HE2  PHE2006           HE1      PHE2006  -7.508   1.378 -11.650
  911    HZ   PHE2006           HZ       PHE2006  -7.167   3.776 -11.790
  912    H    LEU2007           HN       LEU2007  -2.470  -2.096  -9.936
  913    HA   LEU2007           HA       LEU2007  -2.290  -2.033 -12.807
  914    HB2  LEU2007           HB2      LEU2007  -2.657  -4.329 -10.862
  915    HB3  LEU2007           HB1      LEU2007  -2.614  -4.548 -12.593
  916    HG   LEU2007           HG       LEU2007  -0.267  -3.638 -12.571
  917   HD11  LEU2007          HD11      LEU2007  -0.520  -3.937  -9.590
  918   HD12  LEU2007          HD12      LEU2007  -0.314  -2.427 -10.477
  919   HD13  LEU2007          HD13      LEU2007   0.972  -3.634 -10.481
  920   HD21  LEU2007          HD21      LEU2007  -0.707  -6.014 -12.710
  921   HD22  LEU2007          HD22      LEU2007  -0.797  -6.119 -10.952
  922   HD23  LEU2007          HD23      LEU2007   0.730  -5.706 -11.734
  923    H    SER2008           HN       SER2008  -4.634  -3.225 -10.432
  924    HA   SER2008           HA       SER2008  -6.816  -2.029 -11.710
  925    HB2  SER2008           HB2      SER2008  -7.972  -4.173 -12.343
  926    HB3  SER2008           HB1      SER2008  -6.577  -3.807 -13.359
  927    HG   SER2008           HG       SER2008  -7.021  -5.874 -11.597
  928    H    PHE2009           HN       PHE2009  -8.732  -2.390 -10.527
  929    HA   PHE2009           HA       PHE2009  -8.360  -3.715  -7.945
  930    HB2  PHE2009           HB2      PHE2009  -8.946  -1.226  -7.909
  931    HB3  PHE2009           HB1      PHE2009 -10.415  -1.618  -8.790
  932    HD1  PHE2009           HD2      PHE2009 -12.089  -3.219  -7.622
  933    HD2  PHE2009           HD1      PHE2009  -8.896  -1.266  -5.592
  934    HE1  PHE2009           HE2      PHE2009 -13.226  -3.600  -5.479
  935    HE2  PHE2009           HE1      PHE2009 -10.030  -1.642  -3.446
  936    HZ   PHE2009           HZ       PHE2009 -12.194  -2.808  -3.382
  937    H    ASP2010           HN       ASP2010  -9.323  -5.689  -8.101
  938    HA   ASP2010           HA       ASP2010 -11.487  -5.911 -10.057
  939    HB2  ASP2010           HB2      ASP2010  -9.563  -8.044  -9.105
  940    HB3  ASP2010           HB1      ASP2010 -10.980  -8.372 -10.089
  941    H    GLU2011           HN       GLU2011 -13.153  -5.423  -8.848
  942    HA   GLU2011           HA       GLU2011 -13.597  -6.295  -6.204
  943    HB2  GLU2011           HB2      GLU2011 -15.953  -5.542  -6.600
  944    HB3  GLU2011           HB1      GLU2011 -14.740  -4.332  -6.986
  945    HG2  GLU2011           HG2      GLU2011 -14.979  -4.790  -9.347
  946    HG3  GLU2011           HG1      GLU2011 -16.104  -6.100  -9.005
  947    H    GLN2012           HN       GLN2012 -14.161  -7.690  -9.294
  948    HA   GLN2012           HA       GLN2012 -16.110  -9.590  -8.918
  949    HB2  GLN2012           HB2      GLN2012 -14.971  -9.100 -11.052
  950    HB3  GLN2012           HB1      GLN2012 -13.527  -9.898 -10.456
  951    HG2  GLN2012           HG2      GLN2012 -14.611 -11.401 -11.926
  952    HG3  GLN2012           HG1      GLN2012 -14.864 -12.008 -10.292
  953   HE21  GLN2012          HE21      GLN2012 -16.362 -12.507 -12.729
  954   HE22  GLN2012          HE22      GLN2012 -17.992 -12.049 -12.399
  955    H    THR2013           HN       THR2013 -12.709  -9.766  -8.059
  956    HA   THR2013           HA       THR2013 -13.259 -12.251  -6.588
  957    HB   THR2013           HB       THR2013 -11.941 -12.795  -8.538
  958    HG1  THR2013           HG1      THR2013 -11.316 -13.822  -6.575
  959   HG21  THR2013          HG21      THR2013 -11.027 -10.605  -9.067
  960   HG22  THR2013          HG22      THR2013  -9.731 -11.798  -8.990
  961   HG23  THR2013          HG23      THR2013  -9.980 -10.677  -7.651
  962    H    CYS2014           HN       CYS2014 -12.945  -9.153  -6.030
  963    HA   CYS2014           HA       CYS2014 -12.169  -7.757  -4.419
  964    HB2  CYS2014           HB2      CYS2014 -11.870 -10.322  -2.833
  965    HB3  CYS2014           HB1      CYS2014 -11.931  -8.698  -2.164
  966    H    THR2015           HN       THR2015 -10.227  -8.802  -6.287
  967    HA   THR2015           HA       THR2015  -7.839  -8.786  -4.599
  968    HB   THR2015           HB       THR2015  -8.130 -10.181  -7.277
  969    HG1  THR2015           HG1      THR2015  -9.250 -11.464  -5.896
  970   HG21  THR2015          HG21      THR2015  -5.827  -9.463  -6.725
  971   HG22  THR2015          HG22      THR2015  -5.984 -11.218  -6.664
  972   HG23  THR2015          HG23      THR2015  -5.954 -10.285  -5.168
  973    H    SER2016           HN       SER2016  -6.740  -7.029  -4.836
  974    HA   SER2016           HA       SER2016  -6.858  -5.595  -7.380
  975    HB2  SER2016           HB2      SER2016  -6.694  -4.420  -4.604
  976    HB3  SER2016           HB1      SER2016  -6.898  -3.543  -6.124
  977    HG   SER2016           HG       SER2016  -8.751  -4.951  -4.628
  978    H    TYR2017           HN       TYR2017  -4.892  -4.739  -8.040
  979    HA   TYR2017           HA       TYR2017  -2.550  -5.580  -6.452
  980    HB2  TYR2017           HB2      TYR2017  -2.703  -5.324  -9.457
  981    HB3  TYR2017           HB1      TYR2017  -1.333  -5.895  -8.522
  982    HD1  TYR2017           HD2      TYR2017  -1.462  -8.144  -7.409
  983    HD2  TYR2017           HD1      TYR2017  -4.470  -6.736 -10.061
  984    HE1  TYR2017           HE2      TYR2017  -2.283 -10.452  -7.699
  985    HE2  TYR2017           HE1      TYR2017  -5.293  -9.013 -10.357
  986    HH   TYR2017           HH       TYR2017  -4.425 -11.258 -10.194
  987    H    PHE2018           HN       PHE2018  -1.324  -3.951  -5.814
  988    HA   PHE2018           HA       PHE2018  -1.446  -1.434  -7.326
  989    HB2  PHE2018           HB2      PHE2018  -1.104  -1.771  -4.329
  990    HB3  PHE2018           HB1      PHE2018  -1.152  -0.246  -5.203
  991    HD1  PHE2018           HD2      PHE2018  -3.316   0.379  -6.398
  992    HD2  PHE2018           HD1      PHE2018  -3.048  -2.776  -3.582
  993    HE1  PHE2018           HE2      PHE2018  -5.751   0.467  -6.082
  994    HE2  PHE2018           HE1      PHE2018  -5.486  -2.697  -3.240
  995    HZ   PHE2018           HZ       PHE2018  -6.854  -1.088  -4.588
  996    H    SER2019           HN       SER2019   0.487  -0.965  -8.222
  997    HA   SER2019           HA       SER2019   2.867  -2.177  -7.065
  998    HB2  SER2019           HB2      SER2019   2.316  -2.713  -9.453
  999    HB3  SER2019           HB1      SER2019   2.402  -0.997  -9.831
 1000    HG   SER2019           HG       SER2019   4.312  -2.654  -9.985
 1001    H    TRP2020           HN       TRP2020   3.846  -0.802  -5.763
 1002    HA   TRP2020           HA       TRP2020   3.443   2.054  -6.226
 1003    HB2  TRP2020           HB2      TRP2020   2.967   0.796  -3.979
 1004    HB3  TRP2020           HB1      TRP2020   4.712   0.943  -3.753
 1005    HD1  TRP2020           HD1      TRP2020   5.388   3.828  -4.416
 1006    HE1  TRP2020           HE1      TRP2020   4.250   5.840  -3.241
 1007    HE3  TRP2020           HE3      TRP2020   1.193   1.500  -2.654
 1008    HZ2  TRP2020           HZ2      TRP2020   1.935   6.343  -1.751
 1009    HZ3  TRP2020           HZ3      TRP2020  -0.429   2.817  -1.357
 1010    HH2  TRP2020           HH2      TRP2020  -0.063   5.184  -0.914
 1011    H    HIS2021           HN       HIS2021   4.981   2.972  -7.270
 1012    HA   HIS2021           HA       HIS2021   7.584   1.735  -7.402
 1013    HB2  HIS2021           HB2      HIS2021   6.325   3.972  -9.013
 1014    HB3  HIS2021           HB1      HIS2021   7.985   3.431  -9.222
 1015    HD1  HIS2021           HD1      HIS2021   8.238   1.794 -11.130
 1016    HD2  HIS2021           HD2      HIS2021   4.436   1.642  -9.444
 1017    HE1  HIS2021           HE1      HIS2021   7.011   0.064 -12.390
 1018    HE2  HIS2021           HE2      HIS2021   4.665   0.427 -11.703
 1019    H    THR2022           HN       THR2022   8.522   2.195  -5.577
 1020    HA   THR2022           HA       THR2022   9.005   5.000  -4.944
 1021    HB   THR2022           HB       THR2022   7.446   4.219  -3.272
 1022    HG1  THR2022           HG1      THR2022   8.897   5.462  -2.294
 1023   HG21  THR2022          HG21      THR2022   9.329   1.900  -2.792
 1024   HG22  THR2022          HG22      THR2022   7.725   1.802  -3.522
 1025   HG23  THR2022          HG23      THR2022   7.898   2.268  -1.829
 1026    H    SER2023           HN       SER2023  11.084   5.381  -4.014
 1027    HA   SER2023           HA       SER2023  13.091   3.768  -5.203
 1028    HB2  SER2023           HB2      SER2023  13.371   6.020  -3.233
 1029    HB3  SER2023           HB1      SER2023  14.559   5.485  -4.434
 1030    HG   SER2023           HG       SER2023  12.713   5.926  -5.952
 1031    H    LEU2024           HN       LEU2024  11.632   3.973  -2.051
 1032    HA   LEU2024           HA       LEU2024  13.909   2.861  -0.652
 1033    HB2  LEU2024           HB2      LEU2024  11.149   3.530   0.397
 1034    HB3  LEU2024           HB1      LEU2024  12.538   3.115   1.371
 1035    HG   LEU2024           HG       LEU2024  12.332   5.428   1.623
 1036   HD11  LEU2024          HD11      LEU2024  14.240   6.449   0.546
 1037   HD12  LEU2024          HD12      LEU2024  14.366   5.051  -0.527
 1038   HD13  LEU2024          HD13      LEU2024  14.590   4.852   1.211
 1039   HD21  LEU2024          HD21      LEU2024  10.690   5.871  -0.128
 1040   HD22  LEU2024          HD22      LEU2024  11.940   5.714  -1.362
 1041   HD23  LEU2024          HD23      LEU2024  12.012   7.038  -0.200
 1042    H    ALA2025           HN       ALA2025  11.779   1.470  -2.554
 1043    HA   ALA2025           HA       ALA2025  10.672  -0.642  -0.967
 1044    HB1  ALA2025           HB1      ALA2025   9.616   0.192  -2.985
 1045    HB2  ALA2025           HB2      ALA2025   9.915  -1.545  -3.066
 1046    HB3  ALA2025           HB3      ALA2025  10.961  -0.424  -3.941
 1047    H    CYS2026           HN       CYS2026  13.288  -0.518  -3.328
 1048    HA   CYS2026           HA       CYS2026  14.593  -2.680  -2.063
 1049    HB2  CYS2026           HB2      CYS2026  14.875  -3.901  -4.364
 1050    HB3  CYS2026           HB1      CYS2026  13.405  -4.165  -3.448
 1051    H    GLU2027           HN       GLU2027  16.663  -3.127  -3.887
 1052    HA   GLU2027           HA       GLU2027  17.763  -0.452  -3.694
 1053    HB2  GLU2027           HB2      GLU2027  18.880  -2.348  -2.543
 1054    HB3  GLU2027           HB1      GLU2027  19.140  -3.108  -4.094
 1055    HG2  GLU2027           HG2      GLU2027  20.613  -1.366  -4.792
 1056    HG3  GLU2027           HG1      GLU2027  20.216  -0.398  -3.369
 1057    H    GLU2028           HN       GLU2028  17.788  -3.234  -5.944
 1058    HA   GLU2028           HA       GLU2028  17.343  -1.419  -8.125
 1059    HB2  GLU2028           HB2      GLU2028  19.802  -1.535  -7.951
 1060    HB3  GLU2028           HB1      GLU2028  19.725  -3.290  -8.030
 1061    HG2  GLU2028           HG2      GLU2028  18.777  -3.157 -10.251
 1062    HG3  GLU2028           HG1      GLU2028  18.829  -1.397 -10.176
 1063    H    GLU2029           HN       GLU2029  16.090  -2.383  -9.647
 1064    HA   GLU2029           HA       GLU2029  15.903  -5.276  -9.765
 1065    HB2  GLU2029           HB2      GLU2029  13.981  -3.733  -8.383
 1066    HB3  GLU2029           HB1      GLU2029  13.265  -4.100  -9.945
 1067    HG2  GLU2029           HG2      GLU2029  14.370  -6.118  -7.999
 1068    HG3  GLU2029           HG1      GLU2029  12.666  -5.764  -8.263
 1069    H    VAL2030           HN       VAL2030  15.004  -5.962 -11.691
 1070    HA   VAL2030           HA       VAL2030  15.505  -4.063 -13.808
 1071    HB   VAL2030           HB       VAL2030  16.482  -6.295 -14.059
 1072   HG11  VAL2030          HG11      VAL2030  15.136  -8.283 -14.537
 1073   HG12  VAL2030          HG12      VAL2030  13.677  -7.370 -14.156
 1074   HG13  VAL2030          HG13      VAL2030  14.886  -7.663 -12.904
 1075   HG21  VAL2030          HG21      VAL2030  15.999  -5.079 -16.088
 1076   HG22  VAL2030          HG22      VAL2030  14.366  -5.741 -16.129
 1077   HG23  VAL2030          HG23      VAL2030  15.756  -6.805 -16.354
 1078    HA   PRO2031           HA       PRO2031  11.188  -3.118 -13.883
 1079    HB2  PRO2031           HB2      PRO2031  11.332  -1.038 -15.613
 1080    HB3  PRO2031           HB1      PRO2031  11.825  -0.920 -13.919
 1081    HG2  PRO2031           HG2      PRO2031  13.497  -1.206 -16.367
 1082    HG3  PRO2031           HG1      PRO2031  13.811  -0.276 -14.894
 1083    HD2  PRO2031           HD2      PRO2031  14.917  -2.737 -15.482
 1084    HD3  PRO2031           HD1      PRO2031  14.764  -2.063 -13.849
 1085    H    ARG2032           HN       ARG2032  12.995  -4.393 -16.465
 1086    HA   ARG2032           HA       ARG2032  10.510  -4.772 -17.950
 1087    HB2  ARG2032           HB2      ARG2032  13.281  -4.483 -19.183
 1088    HB3  ARG2032           HB1      ARG2032  11.849  -4.983 -20.063
 1089    HG2  ARG2032           HG2      ARG2032  12.091  -2.730 -20.606
 1090    HG3  ARG2032           HG1      ARG2032  10.857  -2.726 -19.345
 1091    HD2  ARG2032           HD2      ARG2032  12.747  -2.302 -17.710
 1092    HD3  ARG2032           HD1      ARG2032  13.762  -1.992 -19.119
 1093    HE   ARG2032           HE       ARG2032  11.289  -0.501 -18.911
 1094   HH11  ARG2032          HH11      ARG2032  14.812  -0.427 -18.849
 1095   HH12  ARG2032          HH12      ARG2032  14.955   1.214 -18.442
 1096   HH21  ARG2032          HH21      ARG2032  11.412   1.758 -18.306
 1097   HH22  ARG2032          HH22      ARG2032  12.923   2.521 -18.147
  Start of MODEL    7
    1    H1   MET1885           HT1      MET1885  15.843  10.389   3.401
    2    H2   MET1885           HT2      MET1885  16.451   9.543   2.053
    3    H3   MET1885           HT3      MET1885  17.094   9.281   3.599
    4    HA   MET1885           HA       MET1885  14.323   8.670   2.883
    5    HB2  MET1885           HB2      MET1885  16.758   6.902   3.108
    6    HB3  MET1885           HB1      MET1885  15.120   6.273   3.228
    7    HG2  MET1885           HG2      MET1885  14.626   7.090   1.006
    8    HG3  MET1885           HG1      MET1885  16.250   7.764   0.883
    9    HE1  MET1885           HE1      MET1885  14.864   5.844  -1.225
   10    HE2  MET1885           HE2      MET1885  16.218   4.795  -1.648
   11    HE3  MET1885           HE3      MET1885  16.479   6.525  -1.426
   12    H    LYS1886           HN       LYS1886  13.848   6.676   4.557
   13    HA   LYS1886           HA       LYS1886  12.941   6.350   6.523
   14    HB2  LYS1886           HB2      LYS1886  15.596   7.297   7.609
   15    HB3  LYS1886           HB1      LYS1886  14.388   6.408   8.519
   16    HG2  LYS1886           HG2      LYS1886  14.667   4.544   6.845
   17    HG3  LYS1886           HG1      LYS1886  16.056   5.433   6.215
   18    HD2  LYS1886           HD2      LYS1886  17.006   5.446   8.519
   19    HD3  LYS1886           HD1      LYS1886  15.677   4.409   9.018
   20    HE2  LYS1886           HE2      LYS1886  17.814   3.779   6.996
   21    HE3  LYS1886           HE1      LYS1886  17.650   3.089   8.604
   22    HZ1  LYS1886           HZ1      LYS1886  15.996   2.567   6.199
   23    HZ2  LYS1886           HZ2      LYS1886  15.381   2.238   7.713
   24    HZ3  LYS1886           HZ3      LYS1886  16.799   1.482   7.218
   25    H    SER1887           HN       SER1887  11.680   8.273   5.764
   26    HA   SER1887           HA       SER1887  11.976  10.665   7.242
   27    HB2  SER1887           HB2      SER1887   9.587   9.663   5.701
   28    HB3  SER1887           HB1      SER1887   9.842  11.322   6.254
   29    HG   SER1887           HG       SER1887  11.660  11.442   5.013
   30    H    ASN1888           HN       ASN1888   9.193   8.349   7.460
   31    HA   ASN1888           HA       ASN1888   8.978   9.203  10.263
   32    HB2  ASN1888           HB2      ASN1888   6.760   8.171   8.480
   33    HB3  ASN1888           HB1      ASN1888   6.596   8.780  10.118
   34   HD21  ASN1888          HD21      ASN1888   6.910   9.562   6.820
   35   HD22  ASN1888          HD22      ASN1888   6.692  11.275   6.942
   36    H    VAL1889           HN       VAL1889   9.880   7.621  11.432
   37    HA   VAL1889           HA       VAL1889   9.453   4.857  10.657
   38    HB   VAL1889           HB       VAL1889  10.882   5.901  13.061
   39   HG11  VAL1889          HG11      VAL1889  10.268   3.554  13.260
   40   HG12  VAL1889          HG12      VAL1889  12.016   3.680  13.068
   41   HG13  VAL1889          HG13      VAL1889  11.011   3.204  11.699
   42   HG21  VAL1889          HG21      VAL1889  13.008   5.557  11.823
   43   HG22  VAL1889          HG22      VAL1889  11.984   6.801  11.103
   44   HG23  VAL1889          HG23      VAL1889  12.063   5.197  10.377
   45    H    GLN1890           HN       GLN1890   7.294   4.751  10.930
   46    HA   GLN1890           HA       GLN1890   6.095   5.239  13.531
   47    HB2  GLN1890           HB2      GLN1890   4.901   4.175  10.970
   48    HB3  GLN1890           HB1      GLN1890   3.990   4.545  12.426
   49    HG2  GLN1890           HG2      GLN1890   5.645   6.536  10.985
   50    HG3  GLN1890           HG1      GLN1890   3.960   6.247  10.541
   51   HE21  GLN1890          HE21      GLN1890   2.353   6.800  12.024
   52   HE22  GLN1890          HE22      GLN1890   2.568   7.934  13.278
   53    H    ASN1891           HN       ASN1891   7.293   3.662  14.664
   54    HA   ASN1891           HA       ASN1891   7.450   1.792  15.853
   55    HB2  ASN1891           HB2      ASN1891   5.021   1.755  16.005
   56    HB3  ASN1891           HB1      ASN1891   4.909   0.912  14.466
   57   HD21  ASN1891          HD21      ASN1891   5.593   0.601  17.866
   58   HD22  ASN1891          HD22      ASN1891   5.717  -1.112  17.871
   59    H    ASP1892           HN       ASP1892   6.496   0.747  12.605
   60    HA   ASP1892           HA       ASP1892   8.893  -0.757  12.281
   61    HB2  ASP1892           HB2      ASP1892   7.632  -2.215  13.908
   62    HB3  ASP1892           HB1      ASP1892   6.386  -2.439  12.695
   63    H    CYS1893           HN       CYS1893   6.639  -2.640  10.722
   64    HA   CYS1893           HA       CYS1893   6.294  -2.998   8.527
   65    HB2  CYS1893           HB2      CYS1893   4.664  -1.083   8.985
   66    HB3  CYS1893           HB1      CYS1893   5.888  -0.003   8.337
   67    H    ARG1894           HN       ARG1894   8.344  -3.695   8.423
   68    HA   ARG1894           HA       ARG1894   9.942  -2.579   6.374
   69    HB2  ARG1894           HB2      ARG1894  12.003  -2.462   7.846
   70    HB3  ARG1894           HB1      ARG1894  10.857  -1.143   8.035
   71    HG2  ARG1894           HG2      ARG1894  10.087  -1.974  10.100
   72    HG3  ARG1894           HG1      ARG1894  10.869  -3.532   9.848
   73    HD2  ARG1894           HD2      ARG1894  12.002  -1.994  11.475
   74    HD3  ARG1894           HD1      ARG1894  13.014  -2.614  10.176
   75    HE   ARG1894           HE       ARG1894  12.600  -0.395   9.083
   76   HH11  ARG1894          HH11      ARG1894  12.239  -0.620  12.570
   77   HH12  ARG1894          HH12      ARG1894  13.039   0.827  12.925
   78   HH21  ARG1894          HH21      ARG1894  13.668   1.617   9.480
   79   HH22  ARG1894          HH22      ARG1894  13.885   2.159  11.105
   80    H    VAL1895           HN       VAL1895  11.730  -4.088   5.908
   81    HA   VAL1895           HA       VAL1895  11.789  -6.522   7.450
   82    HB   VAL1895           HB       VAL1895   9.931  -6.831   5.773
   83   HG11  VAL1895          HG11      VAL1895  12.131  -6.731   3.739
   84   HG12  VAL1895          HG12      VAL1895  10.763  -5.626   3.901
   85   HG13  VAL1895          HG13      VAL1895  10.491  -7.307   3.439
   86   HG21  VAL1895          HG21      VAL1895  10.992  -8.757   6.762
   87   HG22  VAL1895          HG22      VAL1895  12.270  -8.720   5.547
   88   HG23  VAL1895          HG23      VAL1895  10.610  -9.093   5.074
   89    H    THR1896           HN       THR1896  13.691  -7.659   7.195
   90    HA   THR1896           HA       THR1896  15.845  -6.130   5.959
   91    HB   THR1896           HB       THR1896  16.080  -8.642   7.611
   92    HG1  THR1896           HG1      THR1896  14.854  -6.956   8.686
   93   HG21  THR1896          HG21      THR1896  18.100  -7.903   6.422
   94   HG22  THR1896          HG22      THR1896  18.288  -7.704   8.164
   95   HG23  THR1896          HG23      THR1896  17.948  -6.304   7.147
   96    H    ASN1897           HN       ASN1897  16.365  -6.682   3.866
   97    HA   ASN1897           HA       ASN1897  16.210  -9.523   3.132
   98    HB2  ASN1897           HB2      ASN1897  15.101  -7.990   1.534
   99    HB3  ASN1897           HB1      ASN1897  16.605  -7.097   1.342
  100   HD21  ASN1897          HD21      ASN1897  16.790  -7.507  -0.881
  101   HD22  ASN1897          HD22      ASN1897  17.080  -9.053  -1.530
  102    HA   PRO1898           HA       PRO1898  20.552  -9.304   4.169
  103    HB2  PRO1898           HB2      PRO1898  21.090 -11.945   3.816
  104    HB3  PRO1898           HB1      PRO1898  20.278 -11.306   5.250
  105    HG2  PRO1898           HG2      PRO1898  19.103 -12.612   2.830
  106    HG3  PRO1898           HG1      PRO1898  18.688 -12.843   4.540
  107    HD2  PRO1898           HD2      PRO1898  17.217 -11.298   2.878
  108    HD3  PRO1898           HD1      PRO1898  17.385 -10.946   4.609
  109    H    ALA1899           HN       ALA1899  19.249 -10.640   1.215
  110    HA   ALA1899           HA       ALA1899  21.654 -11.067  -0.176
  111    HB1  ALA1899           HB1      ALA1899  18.949 -10.307  -1.277
  112    HB2  ALA1899           HB2      ALA1899  19.501 -11.950  -0.939
  113    HB3  ALA1899           HB3      ALA1899  20.282 -10.998  -2.203
  114    H    THR1900           HN       THR1900  19.567  -8.263   0.104
  115    HA   THR1900           HA       THR1900  21.380  -6.613  -1.410
  116    HB   THR1900           HB       THR1900  18.983  -5.785   0.247
  117    HG1  THR1900           HG1      THR1900  19.178  -6.569  -2.479
  118   HG21  THR1900          HG21      THR1900  18.915  -3.896  -1.309
  119   HG22  THR1900          HG22      THR1900  20.353  -4.513  -2.122
  120   HG23  THR1900          HG23      THR1900  20.452  -3.959  -0.450
  121    H    GLY1901           HN       GLY1901  20.408  -7.128   1.982
  122    HA2  GLY1901           HA2      GLY1901  21.636  -6.668   3.896
  123    HA3  GLY1901           HA1      GLY1901  22.818  -5.799   2.911
  124    H    HIS1902           HN       HIS1902  19.732  -4.999   2.104
  125    HA   HIS1902           HA       HIS1902  19.919  -2.433   3.532
  126    HB2  HIS1902           HB2      HIS1902  19.919  -2.532   0.941
  127    HB3  HIS1902           HB1      HIS1902  18.244  -3.028   1.087
  128    HD1  HIS1902           HD1      HIS1902  16.795  -1.003   2.723
  129    HD2  HIS1902           HD2      HIS1902  20.150   0.095   0.491
  130    HE1  HIS1902           HE1      HIS1902  16.598   1.421   2.364
  131    HE2  HIS1902           HE2      HIS1902  18.652   2.105   1.114
  132    H    LEU1903           HN       LEU1903  18.527  -2.273   5.083
  133    HA   LEU1903           HA       LEU1903  16.303  -4.015   5.474
  134    HB2  LEU1903           HB2      LEU1903  17.601  -2.892   7.291
  135    HB3  LEU1903           HB1      LEU1903  17.059  -1.345   6.710
  136    HG   LEU1903           HG       LEU1903  15.988  -2.067   8.806
  137   HD11  LEU1903          HD11      LEU1903  14.078  -1.798   6.522
  138   HD12  LEU1903          HD12      LEU1903  14.827  -0.492   7.443
  139   HD13  LEU1903          HD13      LEU1903  13.686  -1.583   8.227
  140   HD21  LEU1903          HD21      LEU1903  15.913  -4.447   8.435
  141   HD22  LEU1903          HD22      LEU1903  14.743  -4.224   7.131
  142   HD23  LEU1903          HD23      LEU1903  14.302  -3.824   8.791
  143    H    PHE1904           HN       PHE1904  14.295  -3.753   4.540
  144    HA   PHE1904           HA       PHE1904  13.950  -1.393   2.857
  145    HB2  PHE1904           HB2      PHE1904  12.234  -3.874   3.079
  146    HB3  PHE1904           HB1      PHE1904  11.990  -2.567   1.946
  147    HD1  PHE1904           HD2      PHE1904  15.135  -2.434   1.536
  148    HD2  PHE1904           HD1      PHE1904  12.194  -5.493   1.206
  149    HE1  PHE1904           HE2      PHE1904  16.565  -3.594  -0.038
  150    HE2  PHE1904           HE1      PHE1904  13.630  -6.697  -0.397
  151    HZ   PHE1904           HZ       PHE1904  15.575  -5.845  -1.170
  152    H    ASP1905           HN       ASP1905  13.240   0.237   4.118
  153    HA   ASP1905           HA       ASP1905  10.661  -0.320   5.281
  154    HB2  ASP1905           HB2      ASP1905  10.904   1.296   7.131
  155    HB3  ASP1905           HB1      ASP1905  12.022  -0.036   7.279
  156    H    LEU1906           HN       LEU1906   9.139   0.667   4.540
  157    HA   LEU1906           HA       LEU1906   9.565   3.002   2.888
  158    HB2  LEU1906           HB2      LEU1906   7.039   1.519   3.621
  159    HB3  LEU1906           HB1      LEU1906   7.150   2.807   2.440
  160    HG   LEU1906           HG       LEU1906   8.588   0.169   2.179
  161   HD11  LEU1906          HD11      LEU1906   6.861  -0.397   0.565
  162   HD12  LEU1906          HD12      LEU1906   6.011   1.098   0.948
  163   HD13  LEU1906          HD13      LEU1906   6.181  -0.159   2.174
  164   HD21  LEU1906          HD21      LEU1906   8.849   0.852  -0.147
  165   HD22  LEU1906          HD22      LEU1906   9.593   2.032   0.937
  166   HD23  LEU1906          HD23      LEU1906   8.025   2.372   0.200
  167    H    THR1907           HN       THR1907  10.372   4.177   4.764
  168    HA   THR1907           HA       THR1907   8.561   4.826   6.867
  169    HB   THR1907           HB       THR1907  10.684   6.386   7.243
  170    HG1  THR1907           HG1      THR1907  12.147   4.358   6.159
  171   HG21  THR1907          HG21      THR1907   9.915   4.541   8.714
  172   HG22  THR1907          HG22      THR1907  11.669   4.506   8.496
  173   HG23  THR1907          HG23      THR1907  10.644   3.383   7.601
  174    H    SER1908           HN       SER1908   9.790   6.327   3.927
  175    HA   SER1908           HA       SER1908   8.681   8.874   4.536
  176    HB2  SER1908           HB2      SER1908   9.596   7.721   1.893
  177    HB3  SER1908           HB1      SER1908   9.406   9.434   2.291
  178    HG   SER1908           HG       SER1908  11.105   9.375   3.584
  179    H    LEU1909           HN       LEU1909   7.433   5.946   3.577
  180    HA   LEU1909           HA       LEU1909   5.225   7.040   2.077
  181    HB2  LEU1909           HB2      LEU1909   6.247   5.004   1.265
  182    HB3  LEU1909           HB1      LEU1909   5.960   4.210   2.796
  183    HG   LEU1909           HG       LEU1909   3.583   4.131   2.384
  184   HD11  LEU1909          HD11      LEU1909   3.362   6.311   1.301
  185   HD12  LEU1909          HD12      LEU1909   2.612   5.032   0.344
  186   HD13  LEU1909          HD13      LEU1909   4.181   5.684  -0.128
  187   HD21  LEU1909          HD21      LEU1909   3.539   2.767   0.373
  188   HD22  LEU1909          HD22      LEU1909   4.953   2.396   1.358
  189   HD23  LEU1909          HD23      LEU1909   5.122   3.387  -0.092
  190    H    LYS1910           HN       LYS1910   5.945   6.012   5.313
  191    HA   LYS1910           HA       LYS1910   3.163   5.688   6.077
  192    HB2  LYS1910           HB2      LYS1910   5.253   6.385   8.111
  193    HB3  LYS1910           HB1      LYS1910   3.917   5.252   8.219
  194    HG2  LYS1910           HG2      LYS1910   5.192   3.700   6.774
  195    HG3  LYS1910           HG1      LYS1910   6.545   4.829   6.836
  196    HD2  LYS1910           HD2      LYS1910   6.383   4.636   9.367
  197    HD3  LYS1910           HD1      LYS1910   5.317   3.263   9.084
  198    HE2  LYS1910           HE2      LYS1910   8.203   3.550   8.243
  199    HE3  LYS1910           HE1      LYS1910   7.545   2.452   9.455
  200    HZ1  LYS1910           HZ1      LYS1910   7.974   1.233   7.466
  201    HZ2  LYS1910           HZ2      LYS1910   7.118   2.346   6.520
  202    HZ3  LYS1910           HZ3      LYS1910   6.303   1.358   7.611
  203    H    ARG1911           HN       ARG1911   2.036   7.539   5.796
  204    HA   ARG1911           HA       ARG1911   3.431   9.929   6.641
  205    HB2  ARG1911           HB2      ARG1911   2.134  11.185   4.936
  206    HB3  ARG1911           HB1      ARG1911   3.249  10.000   4.286
  207    HG2  ARG1911           HG2      ARG1911   1.233   8.450   4.123
  208    HG3  ARG1911           HG1      ARG1911   0.259   9.899   4.388
  209    HD2  ARG1911           HD2      ARG1911   2.243   9.437   2.164
  210    HD3  ARG1911           HD1      ARG1911   0.490   9.497   2.014
  211    HE   ARG1911           HE       ARG1911   0.957  11.880   3.020
  212   HH11  ARG1911          HH11      ARG1911   2.577  10.195   0.351
  213   HH12  ARG1911          HH12      ARG1911   3.121  11.593  -0.444
  214   HH21  ARG1911          HH21      ARG1911   1.720  13.841   1.964
  215   HH22  ARG1911          HH22      ARG1911   2.642  13.748   0.539
  216    H    GLU1912           HN       GLU1912   2.007  11.755   7.115
  217    HA   GLU1912           HA       GLU1912   0.739  11.167   9.490
  218    HB2  GLU1912           HB2      GLU1912   0.051  13.566   9.462
  219    HB3  GLU1912           HB1      GLU1912   1.764  13.269   9.219
  220    HG2  GLU1912           HG2      GLU1912   1.422  13.572   6.784
  221    HG3  GLU1912           HG1      GLU1912  -0.260  13.987   7.113
  222    H    SER1913           HN       SER1913  -0.789  12.021   6.396
  223    HA   SER1913           HA       SER1913  -3.325  11.342   7.656
  224    HB2  SER1913           HB2      SER1913  -2.803  12.860   5.094
  225    HB3  SER1913           HB1      SER1913  -4.373  12.615   5.863
  226    HG   SER1913           HG       SER1913  -2.742  13.625   7.708
  227    H    GLY1914           HN       GLY1914  -1.846  11.006   4.382
  228    HA2  GLY1914           HA2      GLY1914  -1.735   8.358   4.061
  229    HA3  GLY1914           HA1      GLY1914  -3.468   8.680   3.875
  230    H    TYR1915           HN       TYR1915  -2.486   7.692   1.661
  231    HA   TYR1915           HA       TYR1915  -2.062  10.040  -0.009
  232    HB2  TYR1915           HB2      TYR1915  -0.599   8.827  -1.499
  233    HB3  TYR1915           HB1      TYR1915   0.045   8.673   0.124
  234    HD1  TYR1915           HD2      TYR1915  -1.562   6.927  -2.667
  235    HD2  TYR1915           HD1      TYR1915   0.127   6.486   1.212
  236    HE1  TYR1915           HE2      TYR1915  -1.488   4.504  -2.989
  237    HE2  TYR1915           HE1      TYR1915   0.214   4.051   0.891
  238    HH   TYR1915           HH       TYR1915  -0.904   2.331  -0.473
  239    H    THR1916           HN       THR1916  -2.892   9.771  -2.215
  240    HA   THR1916           HA       THR1916  -4.971   7.752  -2.490
  241    HB   THR1916           HB       THR1916  -5.909   9.815  -1.198
  242    HG1  THR1916           HG1      THR1916  -7.043   8.260  -2.678
  243   HG21  THR1916          HG21      THR1916  -6.402  11.771  -2.644
  244   HG22  THR1916          HG22      THR1916  -5.423  11.006  -3.916
  245   HG23  THR1916          HG23      THR1916  -4.665  11.505  -2.416
  246    H    ILE1917           HN       ILE1917  -5.537   7.344  -4.187
  247    HA   ILE1917           HA       ILE1917  -4.347   8.645  -6.487
  248    HB   ILE1917           HB       ILE1917  -4.655   6.363  -7.487
  249   HG12  ILE1917          HG12      ILE1917  -4.348   5.549  -4.597
  250   HG13  ILE1917          HG11      ILE1917  -5.691   5.190  -5.667
  251   HG21  ILE1917          HG21      ILE1917  -2.513   7.437  -7.393
  252   HG22  ILE1917          HG22      ILE1917  -2.269   5.756  -6.915
  253   HG23  ILE1917          HG23      ILE1917  -2.336   7.029  -5.689
  254   HD11  ILE1917          HD11      ILE1917  -4.239   3.739  -6.997
  255   HD12  ILE1917          HD12      ILE1917  -4.294   3.238  -5.307
  256   HD13  ILE1917          HD13      ILE1917  -2.890   4.109  -5.923
  257    H    THR1918           HN       THR1918  -5.672   8.233  -8.453
  258    HA   THR1918           HA       THR1918  -8.408   8.597  -7.579
  259    HB   THR1918           HB       THR1918  -7.344   9.043 -10.370
  260    HG1  THR1918           HG1      THR1918  -6.445  10.761  -9.578
  261   HG21  THR1918          HG21      THR1918  -9.366  10.454 -10.541
  262   HG22  THR1918          HG22      THR1918  -9.774  10.055  -8.867
  263   HG23  THR1918          HG23      THR1918  -9.798   8.802 -10.085
  264    H    ASP1919           HN       ASP1919  -9.753   7.108  -7.673
  265    HA   ASP1919           HA       ASP1919  -9.327   4.765  -9.352
  266    HB2  ASP1919           HB2      ASP1919  -9.949   4.429  -6.923
  267    HB3  ASP1919           HB1      ASP1919 -11.404   5.343  -7.245
  268    H    SER1920           HN       SER1920 -10.429   4.672 -11.195
  269    HA   SER1920           HA       SER1920 -12.475   6.651 -11.565
  270    HB2  SER1920           HB2      SER1920 -12.380   5.759 -13.960
  271    HB3  SER1920           HB1      SER1920 -11.071   6.757 -13.318
  272    HG   SER1920           HG       SER1920  -9.737   5.177 -13.530
  273    H    HIS1921           HN       HIS1921 -12.282   3.543 -10.526
  274    HA   HIS1921           HA       HIS1921 -14.776   2.588 -11.607
  275    HB2  HIS1921           HB2      HIS1921 -13.136   1.658  -9.216
  276    HB3  HIS1921           HB1      HIS1921 -14.579   0.844  -9.796
  277    HD1  HIS1921           HD1      HIS1921 -13.746  -1.308 -10.760
  278    HD2  HIS1921           HD2      HIS1921 -11.367   1.916 -11.885
  279    HE1  HIS1921           HE1      HIS1921 -12.074  -2.225 -12.370
  280    HE2  HIS1921           HE2      HIS1921 -10.819  -0.217 -13.215
  281    H    ASN1922           HN       ASN1922 -13.615   3.705  -8.471
  282    HA   ASN1922           HA       ASN1922 -16.302   4.668  -7.880
  283    HB2  ASN1922           HB2      ASN1922 -13.981   4.242  -5.980
  284    HB3  ASN1922           HB1      ASN1922 -15.608   4.741  -5.528
  285   HD21  ASN1922          HD21      ASN1922 -13.629   2.135  -6.647
  286   HD22  ASN1922          HD22      ASN1922 -14.733   0.852  -6.260
  287    H    ARG1923           HN       ARG1923 -13.208   5.868  -6.506
  288    HA   ARG1923           HA       ARG1923 -12.914   8.100  -8.081
  289    HB2  ARG1923           HB2      ARG1923 -14.900   8.525  -5.963
  290    HB3  ARG1923           HB1      ARG1923 -13.631   9.741  -6.034
  291    HG2  ARG1923           HG2      ARG1923 -14.139  10.163  -8.377
  292    HG3  ARG1923           HG1      ARG1923 -15.339   8.899  -8.363
  293    HD2  ARG1923           HD2      ARG1923 -15.443  11.351  -6.608
  294    HD3  ARG1923           HD1      ARG1923 -16.352  11.141  -8.106
  295    HE   ARG1923           HE       ARG1923 -16.989   8.953  -6.569
  296   HH11  ARG1923          HH11      ARG1923 -17.210  12.444  -5.982
  297   HH12  ARG1923          HH12      ARG1923 -18.677  12.327  -5.131
  298   HH21  ARG1923          HH21      ARG1923 -18.978   8.817  -5.433
  299   HH22  ARG1923          HH22      ARG1923 -19.721  10.221  -4.820
  300    H    LYS1924           HN       LYS1924 -12.691   7.737  -4.492
  301    HA   LYS1924           HA       LYS1924  -9.879   8.494  -4.868
  302    HB2  LYS1924           HB2      LYS1924 -11.621   8.722  -2.409
  303    HB3  LYS1924           HB1      LYS1924  -9.925   9.145  -2.488
  304    HG2  LYS1924           HG2      LYS1924 -12.131  10.501  -4.028
  305    HG3  LYS1924           HG1      LYS1924 -11.424  11.084  -2.522
  306    HD2  LYS1924           HD2      LYS1924  -9.218  11.169  -3.679
  307    HD3  LYS1924           HD1      LYS1924 -10.044  10.751  -5.183
  308    HE2  LYS1924           HE2      LYS1924 -10.546  13.196  -3.478
  309    HE3  LYS1924           HE1      LYS1924  -9.705  13.163  -5.025
  310    HZ1  LYS1924           HZ1      LYS1924 -11.774  12.396  -6.058
  311    HZ2  LYS1924           HZ2      LYS1924 -11.976  13.898  -5.298
  312    HZ3  LYS1924           HZ3      LYS1924 -12.575  12.510  -4.571
  313    H    ILE1925           HN       ILE1925  -8.630   6.670  -4.844
  314    HA   ILE1925           HA       ILE1925  -9.357   4.625  -2.914
  315    HB   ILE1925           HB       ILE1925  -6.799   4.723  -4.596
  316   HG12  ILE1925          HG12      ILE1925  -9.363   3.226  -5.131
  317   HG13  ILE1925          HG11      ILE1925  -8.787   4.612  -6.036
  318   HG21  ILE1925          HG21      ILE1925  -6.698   3.299  -2.597
  319   HG22  ILE1925          HG22      ILE1925  -6.692   2.317  -4.061
  320   HG23  ILE1925          HG23      ILE1925  -8.167   2.468  -3.106
  321   HD11  ILE1925          HD11      ILE1925  -6.831   3.310  -6.797
  322   HD12  ILE1925          HD12      ILE1925  -8.334   2.510  -7.252
  323   HD13  ILE1925          HD13      ILE1925  -7.402   1.925  -5.876
  324    H    GLU1926           HN       GLU1926  -8.859   4.983  -0.971
  325    HA   GLU1926           HA       GLU1926  -6.858   7.027  -0.285
  326    HB2  GLU1926           HB2      GLU1926  -9.266   7.263   0.412
  327    HB3  GLU1926           HB1      GLU1926  -9.068   5.819   1.389
  328    HG2  GLU1926           HG2      GLU1926  -8.910   7.730   2.786
  329    HG3  GLU1926           HG1      GLU1926  -7.311   6.991   2.666
  330    H    LEU1927           HN       LEU1927  -4.929   6.177   0.490
  331    HA   LEU1927           HA       LEU1927  -5.082   3.716   2.058
  332    HB2  LEU1927           HB2      LEU1927  -2.893   3.875   0.033
  333    HB3  LEU1927           HB1      LEU1927  -3.575   2.472   0.808
  334    HG   LEU1927           HG       LEU1927  -5.642   2.985  -0.721
  335   HD11  LEU1927          HD11      LEU1927  -4.860   5.130  -1.535
  336   HD12  LEU1927          HD12      LEU1927  -5.009   3.980  -2.863
  337   HD13  LEU1927          HD13      LEU1927  -3.418   4.373  -2.206
  338   HD21  LEU1927          HD21      LEU1927  -3.062   1.878  -1.808
  339   HD22  LEU1927          HD22      LEU1927  -4.671   1.595  -2.476
  340   HD23  LEU1927          HD23      LEU1927  -4.261   0.986  -0.873
  341    H    ASN1928           HN       ASN1928  -3.488   3.644   3.578
  342    HA   ASN1928           HA       ASN1928  -1.222   5.426   3.219
  343    HB2  ASN1928           HB2      ASN1928  -2.873   6.473   4.865
  344    HB3  ASN1928           HB1      ASN1928  -2.579   5.088   5.913
  345   HD21  ASN1928          HD21      ASN1928  -1.803   6.572   7.488
  346   HD22  ASN1928          HD22      ASN1928  -0.231   7.278   7.366
  347    H    VAL1929           HN       VAL1929   0.480   4.256   3.238
  348    HA   VAL1929           HA       VAL1929   0.170   1.507   4.122
  349    HB   VAL1929           HB       VAL1929   2.399   2.765   2.484
  350   HG11  VAL1929          HG11      VAL1929   1.987  -0.137   3.224
  351   HG12  VAL1929          HG12      VAL1929   3.278   0.905   3.819
  352   HG13  VAL1929          HG13      VAL1929   3.209   0.477   2.109
  353   HG21  VAL1929          HG21      VAL1929   0.198   0.850   1.741
  354   HG22  VAL1929          HG22      VAL1929   1.482   1.406   0.667
  355   HG23  VAL1929          HG23      VAL1929   0.293   2.552   1.289
  356    H    CYS1930           HN       CYS1930   1.036   0.652   5.769
  357    HA   CYS1930           HA       CYS1930   2.348   0.196   7.561
  358    HB2  CYS1930           HB2      CYS1930   3.993   2.579   6.748
  359    HB3  CYS1930           HB1      CYS1930   4.410   1.426   8.000
  360    H    ALA1931           HN       ALA1931   0.515   2.939   7.236
  361    HA   ALA1931           HA       ALA1931   0.551   3.316  10.087
  362    HB1  ALA1931           HB1      ALA1931   0.668   5.761   9.886
  363    HB2  ALA1931           HB2      ALA1931   0.902   5.608   8.146
  364    HB3  ALA1931           HB3      ALA1931   2.131   5.000   9.258
  365    H    GLU1932           HN       GLU1932  -1.345   4.418  10.791
  366    HA   GLU1932           HA       GLU1932  -3.729   3.486   9.692
  367    HB2  GLU1932           HB2      GLU1932  -3.316   5.832  11.559
  368    HB3  GLU1932           HB1      GLU1932  -4.780   4.883  11.373
  369    HG2  GLU1932           HG2      GLU1932  -3.786   2.966  12.331
  370    HG3  GLU1932           HG1      GLU1932  -2.177   3.682  12.254
  371    H    ALA1933           HN       ALA1933  -5.084   4.312   8.117
  372    HA   ALA1933           HA       ALA1933  -4.271   6.690   6.728
  373    HB1  ALA1933           HB1      ALA1933  -6.697   4.931   6.298
  374    HB2  ALA1933           HB2      ALA1933  -5.153   4.765   5.467
  375    HB3  ALA1933           HB3      ALA1933  -6.139   6.204   5.208
  376    H    LYS1934           HN       LYS1934  -4.578   8.437   7.845
  377    HA   LYS1934           HA       LYS1934  -6.986   8.691   9.480
  378    HB2  LYS1934           HB2      LYS1934  -4.675   8.986  10.430
  379    HB3  LYS1934           HB1      LYS1934  -4.522  10.434   9.453
  380    HG2  LYS1934           HG2      LYS1934  -6.314  11.486  10.654
  381    HG3  LYS1934           HG1      LYS1934  -6.627   9.996  11.548
  382    HD2  LYS1934           HD2      LYS1934  -4.338  10.127  12.474
  383    HD3  LYS1934           HD1      LYS1934  -4.138  11.683  11.666
  384    HE2  LYS1934           HE2      LYS1934  -6.243  11.040  13.732
  385    HE3  LYS1934           HE1      LYS1934  -4.750  11.916  14.039
  386    HZ1  LYS1934           HZ1      LYS1934  -5.487  13.600  12.457
  387    HZ2  LYS1934           HZ2      LYS1934  -6.545  13.437  13.771
  388    HZ3  LYS1934           HZ3      LYS1934  -6.966  12.798  12.258
  389    H    SER1935           HN       SER1935  -5.992   9.468   6.453
  390    HA   SER1935           HA       SER1935  -6.756  12.135   6.140
  391    HB2  SER1935           HB2      SER1935  -6.803  11.289   3.681
  392    HB3  SER1935           HB1      SER1935  -5.276  11.313   4.577
  393    HG   SER1935           HG       SER1935  -6.050   9.281   3.388
  394    H    SER1936           HN       SER1936  -8.414   9.260   4.812
  395    HA   SER1936           HA       SER1936 -10.941  10.727   5.240
  396    HB2  SER1936           HB2      SER1936 -10.350   8.805   2.978
  397    HB3  SER1936           HB1      SER1936 -11.835   9.731   3.204
  398    HG   SER1936           HG       SER1936  -9.443  10.449   2.145
  399    H    CYS1937           HN       CYS1937  -9.249   8.264   6.416
  400    HA   CYS1937           HA       CYS1937 -11.603   6.612   6.896
  401    HB2  CYS1937           HB2      CYS1937  -8.702   5.787   7.251
  402    HB3  CYS1937           HB1      CYS1937 -10.111   4.731   7.199
  403    H    ALA1938           HN       ALA1938 -10.560   5.336   9.322
  404    HA   ALA1938           HA       ALA1938 -10.119   7.710  10.952
  405    HB1  ALA1938           HB1      ALA1938 -12.265   6.591  11.404
  406    HB2  ALA1938           HB2      ALA1938 -11.203   6.600  12.813
  407    HB3  ALA1938           HB3      ALA1938 -11.390   5.129  11.859
  408    H    ASN1939           HN       ASN1939  -9.623   4.363  12.092
  409    HA   ASN1939           HA       ASN1939  -6.869   5.074  12.251
  410    HB2  ASN1939           HB2      ASN1939  -8.499   3.768  14.403
  411    HB3  ASN1939           HB1      ASN1939  -6.739   3.690  14.398
  412   HD21  ASN1939          HD21      ASN1939  -5.573   5.535  14.764
  413   HD22  ASN1939          HD22      ASN1939  -6.276   6.999  15.390
  414    H    GLY1940           HN       GLY1940  -8.812   2.149  12.786
  415    HA2  GLY1940           HA2      GLY1940  -6.701   0.378  12.126
  416    HA3  GLY1940           HA1      GLY1940  -8.378  -0.054  12.378
  417    H    ALA1941           HN       ALA1941  -8.279   2.208   9.981
  418    HA   ALA1941           HA       ALA1941  -8.337   0.116   7.939
  419    HB1  ALA1941           HB1      ALA1941  -9.640   1.704   6.607
  420    HB2  ALA1941           HB2      ALA1941  -9.522   2.891   7.907
  421    HB3  ALA1941           HB3      ALA1941 -10.413   1.389   8.162
  422    H    ALA1942           HN       ALA1942  -6.743   0.098   6.513
  423    HA   ALA1942           HA       ALA1942  -4.999   2.464   6.387
  424    HB1  ALA1942           HB1      ALA1942  -4.309  -0.397   5.725
  425    HB2  ALA1942           HB2      ALA1942  -3.929   0.408   7.241
  426    HB3  ALA1942           HB3      ALA1942  -3.196   0.975   5.735
  427    H    VAL1943           HN       VAL1943  -6.891   0.210   4.574
  428    HA   VAL1943           HA       VAL1943  -6.446   1.881   2.212
  429    HB   VAL1943           HB       VAL1943  -6.951  -1.121   2.204
  430   HG11  VAL1943          HG11      VAL1943  -8.025  -0.017   0.316
  431   HG12  VAL1943          HG12      VAL1943  -6.649  -0.979  -0.226
  432   HG13  VAL1943          HG13      VAL1943  -6.505   0.774  -0.103
  433   HG21  VAL1943          HG21      VAL1943  -4.714  -1.309   1.231
  434   HG22  VAL1943          HG22      VAL1943  -4.659  -0.594   2.842
  435   HG23  VAL1943          HG23      VAL1943  -4.488   0.430   1.416
  436    H    CYS1944           HN       CYS1944  -8.202   2.925   1.786
  437    HA   CYS1944           HA       CYS1944 -10.819   1.668   2.274
  438    HB2  CYS1944           HB2      CYS1944 -10.170   4.595   2.519
  439    HB3  CYS1944           HB1      CYS1944 -11.696   3.809   2.883
  440    H    ILE1945           HN       ILE1945 -12.124   1.761   0.551
  441    HA   ILE1945           HA       ILE1945 -11.279   3.398  -1.707
  442    HB   ILE1945           HB       ILE1945 -13.625   1.464  -1.569
  443   HG12  ILE1945          HG12      ILE1945 -11.546   0.224  -1.218
  444   HG13  ILE1945          HG11      ILE1945 -12.198  -0.125  -2.814
  445   HG21  ILE1945          HG21      ILE1945 -12.194   2.757  -3.890
  446   HG22  ILE1945          HG22      ILE1945 -13.796   3.177  -3.297
  447   HG23  ILE1945          HG23      ILE1945 -13.514   1.594  -4.029
  448   HD11  ILE1945          HD11      ILE1945  -9.922   1.752  -2.200
  449   HD12  ILE1945          HD12      ILE1945 -10.570   1.404  -3.804
  450   HD13  ILE1945          HD13      ILE1945  -9.785   0.126  -2.874
  451    H    THR1946           HN       THR1946 -11.958   5.410  -1.547
  452    HA   THR1946           HA       THR1946 -14.379   5.866  -0.009
  453    HB   THR1946           HB       THR1946 -12.116   7.839  -0.418
  454    HG1  THR1946           HG1      THR1946 -11.011   6.543   0.845
  455   HG21  THR1946          HG21      THR1946 -14.266   8.753   0.450
  456   HG22  THR1946          HG22      THR1946 -13.002   8.779   1.696
  457   HG23  THR1946          HG23      THR1946 -14.234   7.539   1.733
  458    H    ASP1947           HN       ASP1947 -15.894   5.958  -1.532
  459    HA   ASP1947           HA       ASP1947 -15.491   7.691  -3.860
  460    HB2  ASP1947           HB2      ASP1947 -16.412   5.484  -4.397
  461    HB3  ASP1947           HB1      ASP1947 -17.712   5.719  -3.236
  462    H    GLY1948           HN       GLY1948 -15.682   9.690  -3.065
  463    HA2  GLY1948           HA2      GLY1948 -16.735  11.574  -2.292
  464    HA3  GLY1948           HA1      GLY1948 -18.257  10.683  -2.366
  465    HA   PRO1949           HA       PRO1949 -17.673  10.575   2.095
  466    HB2  PRO1949           HB2      PRO1949 -20.256  10.346   2.752
  467    HB3  PRO1949           HB1      PRO1949 -19.582  11.874   2.177
  468    HG2  PRO1949           HG2      PRO1949 -21.334   9.936   0.773
  469    HG3  PRO1949           HG1      PRO1949 -21.201  11.688   0.571
  470    HD2  PRO1949           HD2      PRO1949 -20.016   9.671  -1.042
  471    HD3  PRO1949           HD1      PRO1949 -19.743  11.421  -1.140
  472    H    LYS1950           HN       LYS1950 -18.214   8.139  -0.003
  473    HA   LYS1950           HA       LYS1950 -19.216   6.171   1.916
  474    HB2  LYS1950           HB2      LYS1950 -20.048   6.282  -0.476
  475    HB3  LYS1950           HB1      LYS1950 -18.447   5.767  -0.981
  476    HG2  LYS1950           HG2      LYS1950 -19.938   3.883  -0.963
  477    HG3  LYS1950           HG1      LYS1950 -18.749   3.690   0.331
  478    HD2  LYS1950           HD2      LYS1950 -20.371   4.547   1.945
  479    HD3  LYS1950           HD1      LYS1950 -21.554   4.744   0.654
  480    HE2  LYS1950           HE2      LYS1950 -21.485   2.331   0.245
  481    HE3  LYS1950           HE1      LYS1950 -20.323   2.154   1.562
  482    HZ1  LYS1950           HZ1      LYS1950 -23.089   3.194   1.839
  483    HZ2  LYS1950           HZ2      LYS1950 -21.982   2.991   3.099
  484    HZ3  LYS1950           HZ3      LYS1950 -22.573   1.643   2.269
  485    H    THR1951           HN       THR1951 -17.860   4.736   2.890
  486    HA   THR1951           HA       THR1951 -15.089   4.642   1.923
  487    HB   THR1951           HB       THR1951 -16.004   4.605   4.812
  488    HG1  THR1951           HG1      THR1951 -15.130   6.567   3.047
  489   HG21  THR1951          HG21      THR1951 -13.602   4.803   5.321
  490   HG22  THR1951          HG22      THR1951 -13.227   4.719   3.601
  491   HG23  THR1951          HG23      THR1951 -13.933   3.325   4.418
  492    H    LEU1952           HN       LEU1952 -14.753   2.694   1.147
  493    HA   LEU1952           HA       LEU1952 -15.966   0.320   2.403
  494    HB2  LEU1952           HB2      LEU1952 -16.166   0.861  -0.108
  495    HB3  LEU1952           HB1      LEU1952 -14.453   0.573  -0.219
  496    HG   LEU1952           HG       LEU1952 -15.786  -1.294  -1.080
  497   HD11  LEU1952          HD11      LEU1952 -14.748  -3.152   0.101
  498   HD12  LEU1952          HD12      LEU1952 -14.282  -2.061   1.405
  499   HD13  LEU1952          HD13      LEU1952 -13.604  -1.845  -0.207
  500   HD21  LEU1952          HD21      LEU1952 -17.105  -2.694   0.422
  501   HD22  LEU1952          HD22      LEU1952 -17.744  -1.053   0.303
  502   HD23  LEU1952          HD23      LEU1952 -16.826  -1.542   1.729
  503    H    ASN1953           HN       ASN1953 -14.587  -0.724   3.868
  504    HA   ASN1953           HA       ASN1953 -11.781   0.009   3.820
  505    HB2  ASN1953           HB2      ASN1953 -12.936  -0.139   6.015
  506    HB3  ASN1953           HB1      ASN1953 -13.239  -1.849   5.732
  507   HD21  ASN1953          HD21      ASN1953 -10.201  -0.223   4.895
  508   HD22  ASN1953          HD22      ASN1953  -9.258  -1.075   6.052
  509    H    ALA1954           HN       ALA1954 -10.796  -0.898   2.163
  510    HA   ALA1954           HA       ALA1954 -11.317  -3.640   1.440
  511    HB1  ALA1954           HB1      ALA1954 -10.949  -1.951  -0.296
  512    HB2  ALA1954           HB2      ALA1954  -9.757  -3.249  -0.394
  513    HB3  ALA1954           HB3      ALA1954  -9.311  -1.693   0.306
  514    H    GLY1955           HN       GLY1955  -8.944  -1.866   3.249
  515    HA2  GLY1955           HA2      GLY1955  -7.629  -4.394   3.874
  516    HA3  GLY1955           HA1      GLY1955  -6.639  -3.094   3.231
  517    H    LYS1956           HN       LYS1956  -7.330  -4.581   5.942
  518    HA   LYS1956           HA       LYS1956  -7.783  -2.461   7.793
  519    HB2  LYS1956           HB2      LYS1956  -7.382  -4.114   9.472
  520    HB3  LYS1956           HB1      LYS1956  -8.260  -4.916   8.179
  521    HG2  LYS1956           HG2      LYS1956  -6.046  -5.760   7.328
  522    HG3  LYS1956           HG1      LYS1956  -5.316  -5.114   8.787
  523    HD2  LYS1956           HD2      LYS1956  -7.444  -7.260   8.658
  524    HD3  LYS1956           HD1      LYS1956  -5.733  -7.533   8.938
  525    HE2  LYS1956           HE2      LYS1956  -6.735  -7.679  11.056
  526    HE3  LYS1956           HE1      LYS1956  -6.014  -6.076  11.013
  527    HZ1  LYS1956           HZ1      LYS1956  -8.195  -5.100  10.675
  528    HZ2  LYS1956           HZ2      LYS1956  -8.273  -6.168  11.961
  529    HZ3  LYS1956           HZ3      LYS1956  -8.866  -6.633  10.435
  530    H    LEU1957           HN       LEU1957  -6.178  -1.707   9.323
  531    HA   LEU1957           HA       LEU1957  -3.743  -1.034   8.107
  532    HB2  LEU1957           HB2      LEU1957  -4.810   0.402   9.791
  533    HB3  LEU1957           HB1      LEU1957  -4.563  -0.818  11.014
  534    HG   LEU1957           HG       LEU1957  -3.024   1.230  11.065
  535   HD11  LEU1957          HD11      LEU1957  -1.697  -1.471  10.943
  536   HD12  LEU1957          HD12      LEU1957  -2.479  -0.758  12.357
  537   HD13  LEU1957          HD13      LEU1957  -1.025  -0.020  11.685
  538   HD21  LEU1957          HD21      LEU1957  -1.786  -0.192   8.718
  539   HD22  LEU1957          HD22      LEU1957  -1.077   1.171   9.589
  540   HD23  LEU1957          HD23      LEU1957  -2.579   1.383   8.692
  541    H    SER1958           HN       SER1958  -2.114  -2.206   7.752
  542    HA   SER1958           HA       SER1958  -1.299  -4.271   9.655
  543    HB2  SER1958           HB2      SER1958  -0.963  -4.340   6.639
  544    HB3  SER1958           HB1      SER1958  -0.625  -5.643   7.782
  545    HG   SER1958           HG       SER1958  -3.198  -4.506   7.407
  546    H    LYS1959           HN       LYS1959   0.647  -3.755  10.439
  547    HA   LYS1959           HA       LYS1959   2.220  -1.754   8.970
  548    HB2  LYS1959           HB2      LYS1959   1.325  -0.970  11.119
  549    HB3  LYS1959           HB1      LYS1959   2.150  -2.272  11.967
  550    HG2  LYS1959           HG2      LYS1959   4.302  -1.250  11.299
  551    HG3  LYS1959           HG1      LYS1959   3.419   0.028  10.480
  552    HD2  LYS1959           HD2      LYS1959   3.166  -0.575  13.440
  553    HD3  LYS1959           HD1      LYS1959   4.216   0.672  12.767
  554    HE2  LYS1959           HE2      LYS1959   2.284   1.843  11.854
  555    HE3  LYS1959           HE1      LYS1959   1.212   0.565  12.412
  556    HZ1  LYS1959           HZ1      LYS1959   1.838   1.118  14.688
  557    HZ2  LYS1959           HZ2      LYS1959   1.075   2.369  13.903
  558    HZ3  LYS1959           HZ3      LYS1959   2.734   2.470  14.181
  559    H    THR1960           HN       THR1960   2.810  -3.834   7.827
  560    HA   THR1960           HA       THR1960   5.348  -4.641   8.846
  561    HB   THR1960           HB       THR1960   3.814  -6.374   9.789
  562    HG1  THR1960           HG1      THR1960   6.005  -6.811   8.934
  563   HG21  THR1960          HG21      THR1960   3.197  -6.988   6.887
  564   HG22  THR1960          HG22      THR1960   2.063  -6.327   8.064
  565   HG23  THR1960          HG23      THR1960   2.689  -7.962   8.269
  566    H    LEU1961           HN       LEU1961   6.631  -5.611   7.178
  567    HA   LEU1961           HA       LEU1961   5.683  -5.304   4.456
  568    HB2  LEU1961           HB2      LEU1961   8.105  -4.066   5.720
  569    HB3  LEU1961           HB1      LEU1961   8.137  -4.493   4.032
  570    HG   LEU1961           HG       LEU1961   6.267  -2.513   5.335
  571   HD11  LEU1961          HD11      LEU1961   8.561  -1.715   5.179
  572   HD12  LEU1961          HD12      LEU1961   7.526  -0.870   4.026
  573   HD13  LEU1961          HD13      LEU1961   8.608  -2.147   3.469
  574   HD21  LEU1961          HD21      LEU1961   5.207  -3.666   3.459
  575   HD22  LEU1961          HD22      LEU1961   6.591  -3.286   2.435
  576   HD23  LEU1961          HD23      LEU1961   5.566  -1.988   3.052
  577    H    THR1962           HN       THR1962   6.765  -6.777   3.046
  578    HA   THR1962           HA       THR1962   8.645  -8.562   4.281
  579    HB   THR1962           HB       THR1962   6.713  -9.630   4.997
  580    HG1  THR1962           HG1      THR1962   6.712 -11.238   2.802
  581   HG21  THR1962          HG21      THR1962   5.470  -9.205   2.283
  582   HG22  THR1962          HG22      THR1962   5.076  -8.399   3.811
  583   HG23  THR1962          HG23      THR1962   4.732 -10.122   3.615
  584    H    TYR1963           HN       TYR1963   9.833  -9.753   2.732
  585    HA   TYR1963           HA       TYR1963   9.488  -8.668   0.057
  586    HB2  TYR1963           HB2      TYR1963  11.854  -9.261  -0.406
  587    HB3  TYR1963           HB1      TYR1963  11.726  -8.171   0.959
  588    HD1  TYR1963           HD2      TYR1963  11.878  -9.262   3.327
  589    HD2  TYR1963           HD1      TYR1963  13.066 -11.227  -0.245
  590    HE1  TYR1963           HE2      TYR1963  13.266 -10.813   4.647
  591    HE2  TYR1963           HE1      TYR1963  14.441 -12.779   1.054
  592    HH   TYR1963           HH       TYR1963  15.598 -12.727   3.196
  593    H    GLU1964           HN       GLU1964   8.723  -9.867  -1.419
  594    HA   GLU1964           HA       GLU1964   8.967 -12.774  -1.279
  595    HB2  GLU1964           HB2      GLU1964   6.806 -12.118  -0.224
  596    HB3  GLU1964           HB1      GLU1964   6.386 -11.239  -1.682
  597    HG2  GLU1964           HG2      GLU1964   6.407 -13.358  -2.930
  598    HG3  GLU1964           HG1      GLU1964   6.761 -14.215  -1.429
  599    H    ASP1965           HN       ASP1965   9.191 -13.609  -3.328
  600    HA   ASP1965           HA       ASP1965   9.608 -13.686  -5.567
  601    HB2  ASP1965           HB2      ASP1965   7.799 -11.234  -5.759
  602    HB3  ASP1965           HB1      ASP1965   8.386 -12.155  -7.129
  603    H    GLN1966           HN       GLN1966  11.072 -11.973  -3.604
  604    HA   GLN1966           HA       GLN1966  12.770 -10.547  -3.410
  605    HB2  GLN1966           HB2      GLN1966  13.070 -10.969  -6.389
  606    HB3  GLN1966           HB1      GLN1966  14.277 -10.211  -5.357
  607    HG2  GLN1966           HG2      GLN1966  14.477 -12.275  -4.072
  608    HG3  GLN1966           HG1      GLN1966  13.273 -13.036  -5.109
  609   HE21  GLN1966          HE21      GLN1966  13.819 -13.538  -7.230
  610   HE22  GLN1966          HE22      GLN1966  15.460 -13.639  -7.742
  611    H    VAL1967           HN       VAL1967  10.094  -9.595  -3.967
  612    HA   VAL1967           HA       VAL1967  10.688  -6.817  -4.741
  613    HB   VAL1967           HB       VAL1967   8.041  -8.328  -4.994
  614   HG11  VAL1967          HG11      VAL1967   8.776  -5.587  -5.989
  615   HG12  VAL1967          HG12      VAL1967   7.725  -5.969  -4.622
  616   HG13  VAL1967          HG13      VAL1967   7.240  -6.420  -6.255
  617   HG21  VAL1967          HG21      VAL1967   9.598  -9.186  -6.647
  618   HG22  VAL1967          HG22      VAL1967   9.939  -7.547  -7.203
  619   HG23  VAL1967          HG23      VAL1967   8.329  -8.238  -7.423
  620    H    LEU1968           HN       LEU1968   9.542  -5.268  -3.332
  621    HA   LEU1968           HA       LEU1968   9.183  -6.346  -0.680
  622    HB2  LEU1968           HB2      LEU1968  10.389  -4.223  -1.025
  623    HB3  LEU1968           HB1      LEU1968   8.965  -3.532  -1.769
  624    HG   LEU1968           HG       LEU1968   7.782  -3.619   0.370
  625   HD11  LEU1968          HD11      LEU1968   8.966  -4.214   2.416
  626   HD12  LEU1968          HD12      LEU1968  10.379  -4.692   1.473
  627   HD13  LEU1968          HD13      LEU1968   8.868  -5.590   1.322
  628   HD21  LEU1968          HD21      LEU1968   9.064  -1.646  -0.223
  629   HD22  LEU1968          HD22      LEU1968  10.501  -2.343   0.519
  630   HD23  LEU1968          HD23      LEU1968   9.109  -1.917   1.521
  631    H    LYS1969           HN       LYS1969   7.262  -7.063  -0.068
  632    HA   LYS1969           HA       LYS1969   4.933  -6.066  -1.553
  633    HB2  LYS1969           HB2      LYS1969   5.440  -8.922  -0.741
  634    HB3  LYS1969           HB1      LYS1969   3.976  -8.341  -1.522
  635    HG2  LYS1969           HG2      LYS1969   5.310  -7.661  -3.492
  636    HG3  LYS1969           HG1      LYS1969   6.756  -8.288  -2.712
  637    HD2  LYS1969           HD2      LYS1969   6.062  -9.947  -4.240
  638    HD3  LYS1969           HD1      LYS1969   5.592 -10.531  -2.649
  639    HE2  LYS1969           HE2      LYS1969   3.299  -9.746  -3.069
  640    HE3  LYS1969           HE1      LYS1969   3.812  -9.200  -4.673
  641    HZ1  LYS1969           HZ1      LYS1969   3.696 -11.994  -3.665
  642    HZ2  LYS1969           HZ2      LYS1969   4.506 -11.594  -5.057
  643    HZ3  LYS1969           HZ3      LYS1969   2.830 -11.329  -4.972
  644    H    LEU1970           HN       LEU1970   2.911  -6.280  -0.539
  645    HA   LEU1970           HA       LEU1970   2.733  -6.873   2.284
  646    HB2  LEU1970           HB2      LEU1970   3.445  -4.351   1.720
  647    HB3  LEU1970           HB1      LEU1970   1.747  -4.192   1.354
  648    HG   LEU1970           HG       LEU1970   2.914  -4.954   4.033
  649   HD11  LEU1970          HD11      LEU1970   1.679  -2.391   3.085
  650   HD12  LEU1970          HD12      LEU1970   3.379  -2.670   3.458
  651   HD13  LEU1970          HD13      LEU1970   2.172  -2.744   4.741
  652   HD21  LEU1970          HD21      LEU1970   0.651  -4.632   4.919
  653   HD22  LEU1970          HD22      LEU1970   0.684  -5.932   3.723
  654   HD23  LEU1970          HD23      LEU1970   0.049  -4.346   3.286
  655    H    VAL1971           HN       VAL1971   0.569  -7.483   2.705
  656    HA   VAL1971           HA       VAL1971  -1.350  -7.251   0.478
  657    HB   VAL1971           HB       VAL1971  -2.308  -9.466   1.265
  658   HG11  VAL1971          HG11      VAL1971  -0.630 -10.821   0.101
  659   HG12  VAL1971          HG12      VAL1971   0.521  -9.487   0.219
  660   HG13  VAL1971          HG13      VAL1971  -0.944  -9.304  -0.743
  661   HG21  VAL1971          HG21      VAL1971   0.337  -9.680   2.724
  662   HG22  VAL1971          HG22      VAL1971  -0.831 -10.985   2.515
  663   HG23  VAL1971          HG23      VAL1971  -1.252  -9.572   3.483
  664    H    TYR1972           HN       TYR1972  -2.591  -5.676   1.058
  665    HA   TYR1972           HA       TYR1972  -3.588  -5.548   3.790
  666    HB2  TYR1972           HB2      TYR1972  -3.759  -3.611   1.480
  667    HB3  TYR1972           HB1      TYR1972  -4.828  -3.457   2.861
  668    HD1  TYR1972           HD2      TYR1972  -3.617  -3.425   5.172
  669    HD2  TYR1972           HD1      TYR1972  -1.723  -2.447   1.512
  670    HE1  TYR1972           HE2      TYR1972  -1.944  -2.134   6.399
  671    HE2  TYR1972           HE1      TYR1972  -0.030  -1.135   2.732
  672    HH   TYR1972           HH       TYR1972   0.331  -1.400   6.101
  673    H    GLU1973           HN       GLU1973  -5.389  -6.471   4.374
  674    HA   GLU1973           HA       GLU1973  -7.615  -6.754   2.532
  675    HB2  GLU1973           HB2      GLU1973  -7.821  -9.138   3.083
  676    HB3  GLU1973           HB1      GLU1973  -6.330  -8.800   2.221
  677    HG2  GLU1973           HG2      GLU1973  -5.086  -8.882   4.324
  678    HG3  GLU1973           HG1      GLU1973  -6.583  -9.201   5.197
  679    H    ASP1974           HN       ASP1974  -9.444  -7.836   3.860
  680    HA   ASP1974           HA       ASP1974 -10.722  -8.231   5.642
  681    HB2  ASP1974           HB2      ASP1974  -8.880  -9.115   6.931
  682    HB3  ASP1974           HB1      ASP1974  -8.345  -7.494   7.359
  683    H    GLY1975           HN       GLY1975 -12.372  -7.111   5.929
  684    HA2  GLY1975           HA2      GLY1975 -12.834  -5.065   7.581
  685    HA3  GLY1975           HA1      GLY1975 -12.265  -4.250   6.121
  686    H    ASP1976           HN       ASP1976 -13.424  -4.350   4.288
  687    HA   ASP1976           HA       ASP1976 -16.120  -5.486   4.488
  688    HB2  ASP1976           HB2      ASP1976 -15.238  -2.981   3.007
  689    HB3  ASP1976           HB1      ASP1976 -16.834  -3.695   2.905
  690    HA   PRO1977           HA       PRO1977 -14.735  -7.317   0.648
  691    HB2  PRO1977           HB2      PRO1977 -17.240  -8.470   0.080
  692    HB3  PRO1977           HB1      PRO1977 -15.936  -9.227   0.997
  693    HG2  PRO1977           HG2      PRO1977 -18.458  -8.425   1.988
  694    HG3  PRO1977           HG1      PRO1977 -17.066  -8.962   2.940
  695    HD2  PRO1977           HD2      PRO1977 -18.030  -6.206   2.381
  696    HD3  PRO1977           HD1      PRO1977 -17.159  -6.835   3.797
  697    H    CYS1978           HN       CYS1978 -15.965  -7.586  -1.661
  698    HA   CYS1978           HA       CYS1978 -16.365  -4.916  -2.578
  699    HB2  CYS1978           HB2      CYS1978 -16.735  -7.539  -4.029
  700    HB3  CYS1978           HB1      CYS1978 -16.525  -5.949  -4.759
  701    HA   PRO1979           HA       PRO1979 -20.840  -4.819  -2.472
  702    HB2  PRO1979           HB2      PRO1979 -20.771  -3.541  -5.133
  703    HB3  PRO1979           HB1      PRO1979 -21.419  -2.945  -3.599
  704    HG2  PRO1979           HG2      PRO1979 -19.165  -1.928  -4.646
  705    HG3  PRO1979           HG1      PRO1979 -19.361  -2.135  -2.894
  706    HD2  PRO1979           HD2      PRO1979 -17.869  -3.842  -4.851
  707    HD3  PRO1979           HD1      PRO1979 -17.403  -3.337  -3.211
  708    H    THR1980           HN       THR1980 -19.246  -5.678  -5.521
  709    HA   THR1980           HA       THR1980 -21.312  -7.018  -6.786
  710    HB   THR1980           HB       THR1980 -18.432  -7.795  -7.032
  711    HG1  THR1980           HG1      THR1980 -18.090  -5.849  -8.147
  712   HG21  THR1980          HG21      THR1980 -20.136  -8.764  -8.538
  713   HG22  THR1980          HG22      THR1980 -19.009  -7.736  -9.424
  714   HG23  THR1980          HG23      THR1980 -20.620  -7.140  -9.025
  715    H    ASP1981           HN       ASP1981 -18.594  -8.161  -4.865
  716    HA   ASP1981           HA       ASP1981 -20.007 -10.650  -4.306
  717    HB2  ASP1981           HB2      ASP1981 -17.197 -10.373  -5.355
  718    HB3  ASP1981           HB1      ASP1981 -17.631 -11.737  -4.338
  719    H    LEU1982           HN       LEU1982 -20.459 -10.467  -2.323
  720    HA   LEU1982           HA       LEU1982 -18.538  -9.349  -0.411
  721    HB2  LEU1982           HB2      LEU1982 -21.350 -10.329   0.126
  722    HB3  LEU1982           HB1      LEU1982 -20.345  -9.387   1.198
  723    HG   LEU1982           HG       LEU1982 -20.544  -7.565  -0.648
  724   HD11  LEU1982          HD11      LEU1982 -22.805  -7.665  -1.749
  725   HD12  LEU1982          HD12      LEU1982 -22.766  -9.414  -1.415
  726   HD13  LEU1982          HD13      LEU1982 -21.533  -8.667  -2.417
  727   HD21  LEU1982          HD21      LEU1982 -22.873  -8.298   1.122
  728   HD22  LEU1982          HD22      LEU1982 -22.602  -6.716   0.391
  729   HD23  LEU1982          HD23      LEU1982 -21.467  -7.339   1.589
  730    H    LYS1983           HN       LYS1983 -19.544 -12.093  -1.821
  731    HA   LYS1983           HA       LYS1983 -19.734 -13.977   0.241
  732    HB2  LYS1983           HB2      LYS1983 -19.890 -15.592  -1.488
  733    HB3  LYS1983           HB1      LYS1983 -20.692 -14.101  -2.002
  734    HG2  LYS1983           HG2      LYS1983 -18.865 -13.497  -3.377
  735    HG3  LYS1983           HG1      LYS1983 -17.919 -14.862  -2.784
  736    HD2  LYS1983           HD2      LYS1983 -18.774 -15.431  -4.974
  737    HD3  LYS1983           HD1      LYS1983 -19.621 -16.396  -3.768
  738    HE2  LYS1983           HE2      LYS1983 -21.536 -14.906  -3.887
  739    HE3  LYS1983           HE1      LYS1983 -20.673 -13.855  -5.011
  740    HZ1  LYS1983           HZ1      LYS1983 -20.565 -15.747  -6.559
  741    HZ2  LYS1983           HZ2      LYS1983 -22.145 -15.274  -6.243
  742    HZ3  LYS1983           HZ3      LYS1983 -21.528 -16.661  -5.525
  743    H    MET1984           HN       MET1984 -16.895 -12.524  -1.163
  744    HA   MET1984           HA       MET1984 -15.205 -14.162   0.329
  745    HB2  MET1984           HB2      MET1984 -13.948 -15.111  -1.496
  746    HB3  MET1984           HB1      MET1984 -15.627 -15.597  -1.723
  747    HG2  MET1984           HG2      MET1984 -15.963 -13.958  -3.384
  748    HG3  MET1984           HG1      MET1984 -14.414 -13.210  -3.045
  749    HE1  MET1984           HE1      MET1984 -13.520 -13.077  -5.072
  750    HE2  MET1984           HE2      MET1984 -15.081 -13.478  -5.781
  751    HE3  MET1984           HE3      MET1984 -13.581 -14.185  -6.451
  752    H    LYS1985           HN       LYS1985 -13.340 -13.235   0.330
  753    HA   LYS1985           HA       LYS1985 -12.759 -10.896  -1.268
  754    HB2  LYS1985           HB2      LYS1985 -11.695  -9.791   0.856
  755    HB3  LYS1985           HB1      LYS1985 -13.416  -9.643   0.584
  756    HG2  LYS1985           HG2      LYS1985 -12.993 -10.045   2.922
  757    HG3  LYS1985           HG1      LYS1985 -13.807 -11.438   2.235
  758    HD2  LYS1985           HD2      LYS1985 -12.090 -12.170   3.751
  759    HD3  LYS1985           HD1      LYS1985 -11.626 -12.596   2.108
  760    HE2  LYS1985           HE2      LYS1985 -10.122 -10.655   2.036
  761    HE3  LYS1985           HE1      LYS1985 -10.601 -10.227   3.681
  762    HZ1  LYS1985           HZ1      LYS1985  -9.319 -12.781   2.901
  763    HZ2  LYS1985           HZ2      LYS1985  -9.704 -12.317   4.460
  764    HZ3  LYS1985           HZ3      LYS1985  -8.476 -11.514   3.627
  765    H    HIS1986           HN       HIS1986 -10.408 -10.386  -1.420
  766    HA   HIS1986           HA       HIS1986  -8.849 -12.654  -0.450
  767    HB2  HIS1986           HB2      HIS1986  -8.394 -11.194  -3.077
  768    HB3  HIS1986           HB1      HIS1986  -7.230 -12.301  -2.367
  769    HD1  HIS1986           HD1      HIS1986  -9.043 -12.477  -5.122
  770    HD2  HIS1986           HD2      HIS1986  -9.329 -14.752  -1.662
  771    HE1  HIS1986           HE1      HIS1986 -10.146 -14.618  -5.806
  772    HE2  HIS1986           HE2      HIS1986  -9.958 -16.072  -3.764
  773    H    LYS1987           HN       LYS1987  -7.347  -9.862  -2.006
  774    HA   LYS1987           HA       LYS1987  -7.069  -8.280   0.229
  775    HB2  LYS1987           HB2      LYS1987  -4.638  -8.519   0.598
  776    HB3  LYS1987           HB1      LYS1987  -5.486  -9.975   1.067
  777    HG2  LYS1987           HG2      LYS1987  -4.277  -9.814  -1.657
  778    HG3  LYS1987           HG1      LYS1987  -3.232 -10.083  -0.263
  779    HD2  LYS1987           HD2      LYS1987  -5.635 -11.770  -0.965
  780    HD3  LYS1987           HD1      LYS1987  -3.963 -12.181  -1.371
  781    HE2  LYS1987           HE2      LYS1987  -3.391 -12.143   1.014
  782    HE3  LYS1987           HE1      LYS1987  -5.064 -11.765   1.403
  783    HZ1  LYS1987           HZ1      LYS1987  -4.183 -14.235   0.009
  784    HZ2  LYS1987           HZ2      LYS1987  -5.744 -13.893   0.566
  785    HZ3  LYS1987           HZ3      LYS1987  -4.476 -14.094   1.674
  786    H    SER1988           HN       SER1988  -5.493  -6.590  -0.314
  787    HA   SER1988           HA       SER1988  -5.327  -6.257  -3.189
  788    HB2  SER1988           HB2      SER1988  -5.034  -4.279  -0.919
  789    HB3  SER1988           HB1      SER1988  -5.049  -3.891  -2.658
  790    HG   SER1988           HG       SER1988  -7.140  -4.854  -1.027
  791    H    TYR1989           HN       TYR1989  -3.405  -6.632  -4.042
  792    HA   TYR1989           HA       TYR1989  -1.157  -7.206  -2.329
  793    HB2  TYR1989           HB2      TYR1989  -1.578  -7.498  -5.304
  794    HB3  TYR1989           HB1      TYR1989  -0.069  -7.885  -4.494
  795    HD1  TYR1989           HD2      TYR1989   0.032  -9.856  -2.970
  796    HD2  TYR1989           HD1      TYR1989  -3.458  -8.952  -5.217
  797    HE1  TYR1989           HE2      TYR1989  -0.824 -12.127  -2.549
  798    HE2  TYR1989           HE1      TYR1989  -4.324 -11.212  -4.801
  799    HH   TYR1989           HH       TYR1989  -3.076 -13.280  -2.471
  800    H    PHE1990           HN       PHE1990   0.320  -5.802  -1.897
  801    HA   PHE1990           HA       PHE1990   0.653  -3.480  -3.628
  802    HB2  PHE1990           HB2      PHE1990   1.268  -3.943  -0.708
  803    HB3  PHE1990           HB1      PHE1990   1.894  -2.563  -1.600
  804    HD1  PHE1990           HD1      PHE1990  -1.284  -4.285  -0.782
  805    HD2  PHE1990           HD2      PHE1990   0.654  -0.609  -1.652
  806    HE1  PHE1990           HE1      PHE1990  -3.357  -3.076  -0.284
  807    HE2  PHE1990           HE2      PHE1990  -1.417   0.608  -1.158
  808    HZ   PHE1990           HZ       PHE1990  -3.419  -0.584  -0.557
  809    H    SER1991           HN       SER1991   2.179  -3.749  -4.969
  810    HA   SER1991           HA       SER1991   4.488  -5.404  -4.261
  811    HB2  SER1991           HB2      SER1991   3.001  -6.048  -6.229
  812    HB3  SER1991           HB1      SER1991   3.556  -4.578  -7.022
  813    HG   SER1991           HG       SER1991   4.704  -6.976  -6.770
  814    H    PHE1992           HN       PHE1992   5.913  -4.005  -3.396
  815    HA   PHE1992           HA       PHE1992   6.279  -1.376  -4.549
  816    HB2  PHE1992           HB2      PHE1992   7.519  -2.631  -2.085
  817    HB3  PHE1992           HB1      PHE1992   7.693  -0.952  -2.587
  818    HD1  PHE1992           HD2      PHE1992   5.714   0.529  -2.553
  819    HD2  PHE1992           HD1      PHE1992   5.641  -3.363  -0.862
  820    HE1  PHE1992           HE2      PHE1992   3.700   1.131  -1.288
  821    HE2  PHE1992           HE1      PHE1992   3.623  -2.779   0.417
  822    HZ   PHE1992           HZ       PHE1992   2.645  -0.527   0.206
  823    H    VAL1993           HN       VAL1993   7.503  -1.336  -6.165
  824    HA   VAL1993           HA       VAL1993   9.882  -3.015  -6.244
  825    HB   VAL1993           HB       VAL1993   8.484  -4.013  -7.863
  826   HG11  VAL1993          HG11      VAL1993   6.721  -2.349  -7.875
  827   HG12  VAL1993          HG12      VAL1993   7.188  -2.760  -9.527
  828   HG13  VAL1993          HG13      VAL1993   7.737  -1.248  -8.801
  829   HG21  VAL1993          HG21      VAL1993  10.040  -1.941  -9.358
  830   HG22  VAL1993          HG22      VAL1993   9.442  -3.454 -10.039
  831   HG23  VAL1993          HG23      VAL1993  10.701  -3.476  -8.786
  832    H    CYS1994           HN       CYS1994  11.744  -1.959  -6.436
  833    HA   CYS1994           HA       CYS1994  11.803   0.825  -6.604
  834    HB2  CYS1994           HB2      CYS1994  14.271   0.363  -6.768
  835    HB3  CYS1994           HB1      CYS1994  13.427  -0.247  -5.343
  836    H    LYS1995           HN       LYS1995  11.901   2.100  -8.263
  837    HA   LYS1995           HA       LYS1995  12.936   1.182 -10.814
  838    HB2  LYS1995           HB2      LYS1995  10.401   1.034 -10.799
  839    HB3  LYS1995           HB1      LYS1995  10.365   2.758 -10.463
  840    HG2  LYS1995           HG2      LYS1995  11.496   3.187 -12.590
  841    HG3  LYS1995           HG1      LYS1995  11.514   1.457 -12.927
  842    HD2  LYS1995           HD2      LYS1995   9.029   1.476 -12.767
  843    HD3  LYS1995           HD1      LYS1995   9.102   3.225 -12.609
  844    HE2  LYS1995           HE2      LYS1995   8.645   2.683 -14.923
  845    HE3  LYS1995           HE1      LYS1995  10.274   3.341 -14.803
  846    HZ1  LYS1995           HZ1      LYS1995  10.238   1.422 -16.254
  847    HZ2  LYS1995           HZ2      LYS1995   9.532   0.474 -15.057
  848    HZ3  LYS1995           HZ3      LYS1995  11.127   1.015 -14.875
  849    H    SER1996           HN       SER1996  14.401   2.710 -11.436
  850    HA   SER1996           HA       SER1996  14.992   4.871  -9.802
  851    HB2  SER1996           HB2      SER1996  15.804   4.402 -12.674
  852    HB3  SER1996           HB1      SER1996  16.651   5.408 -11.491
  853    HG   SER1996           HG       SER1996  16.465   3.244 -10.231
  854    H    ASP1997           HN       ASP1997  13.031   4.621 -12.677
  855    HA   ASP1997           HA       ASP1997  12.485   7.369 -13.110
  856    HB2  ASP1997           HB2      ASP1997  10.703   4.964 -13.560
  857    HB3  ASP1997           HB1      ASP1997  10.258   6.594 -14.029
  858    H    ALA1998           HN       ALA1998  10.491   4.970 -11.491
  859    HA   ALA1998           HA       ALA1998   9.170   4.916  -9.718
  860    HB1  ALA1998           HB1      ALA1998  10.434   7.505  -8.865
  861    HB2  ALA1998           HB2      ALA1998  11.094   5.892  -8.595
  862    HB3  ALA1998           HB3      ALA1998   9.563   6.352  -7.834
  863    H    GLY1999           HN       GLY1999   9.206   8.048 -11.262
  864    HA2  GLY1999           HA2      GLY1999   7.391   8.864 -12.384
  865    HA3  GLY1999           HA1      GLY1999   6.333   7.927 -11.329
  866    H    ASP2000           HN       ASP2000   8.196  10.856 -11.659
  867    HA   ASP2000           HA       ASP2000   8.031  12.909 -10.727
  868    HB2  ASP2000           HB2      ASP2000   5.672  12.923 -10.734
  869    HB3  ASP2000           HB1      ASP2000   5.571  11.716  -9.461
  870    H    ASP2001           HN       ASP2001   7.349  10.622  -8.248
  871    HA   ASP2001           HA       ASP2001   9.760  11.409  -6.750
  872    HB2  ASP2001           HB2      ASP2001   8.056  12.585  -5.513
  873    HB3  ASP2001           HB1      ASP2001   6.934  11.240  -5.660
  874    H    SER2002           HN       SER2002   6.934   9.426  -6.636
  875    HA   SER2002           HA       SER2002   7.821   7.073  -7.536
  876    HB2  SER2002           HB2      SER2002   8.082   5.738  -5.424
  877    HB3  SER2002           HB1      SER2002   9.337   6.946  -5.585
  878    HG   SER2002           HG       SER2002   7.922   8.312  -4.226
  879    H    GLN2003           HN       GLN2003   5.873   6.342  -8.161
  880    HA   GLN2003           HA       GLN2003   3.633   7.282  -6.523
  881    HB2  GLN2003           HB2      GLN2003   2.292   7.555  -8.511
  882    HB3  GLN2003           HB1      GLN2003   3.746   8.532  -8.578
  883    HG2  GLN2003           HG2      GLN2003   4.740   7.044 -10.157
  884    HG3  GLN2003           HG1      GLN2003   3.411   5.894  -9.975
  885   HE21  GLN2003          HE21      GLN2003   1.424   6.370 -10.849
  886   HE22  GLN2003          HE22      GLN2003   1.182   7.615 -12.007
  887    HA   PRO2004           HA       PRO2004   1.977   3.197  -6.531
  888    HB2  PRO2004           HB2      PRO2004  -0.700   4.052  -6.128
  889    HB3  PRO2004           HB1      PRO2004   0.466   3.615  -4.878
  890    HG2  PRO2004           HG2      PRO2004  -0.577   6.207  -5.290
  891    HG3  PRO2004           HG1      PRO2004   0.840   5.767  -4.340
  892    HD2  PRO2004           HD2      PRO2004   0.702   6.850  -7.095
  893    HD3  PRO2004           HD1      PRO2004   1.922   7.103  -5.831
  894    H    VAL2005           HN       VAL2005   2.063   2.436  -8.638
  895    HA   VAL2005           HA       VAL2005   0.013   3.359 -10.484
  896    HB   VAL2005           HB       VAL2005   2.321   1.427 -10.945
  897   HG11  VAL2005          HG11      VAL2005   0.458   1.016 -12.468
  898   HG12  VAL2005          HG12      VAL2005   1.826   1.715 -13.334
  899   HG13  VAL2005          HG13      VAL2005   0.438   2.720 -12.921
  900   HG21  VAL2005          HG21      VAL2005   3.127   3.686 -10.503
  901   HG22  VAL2005          HG22      VAL2005   2.043   4.327 -11.735
  902   HG23  VAL2005          HG23      VAL2005   3.369   3.261 -12.197
  903    H    PHE2006           HN       PHE2006  -1.840   2.410 -10.049
  904    HA   PHE2006           HA       PHE2006  -1.784  -0.328  -9.173
  905    HB2  PHE2006           HB2      PHE2006  -4.176  -0.132  -8.736
  906    HB3  PHE2006           HB1      PHE2006  -3.304   1.177  -7.967
  907    HD1  PHE2006           HD2      PHE2006  -3.431   3.479  -9.031
  908    HD2  PHE2006           HD1      PHE2006  -5.930   0.240 -10.206
  909    HE1  PHE2006           HE2      PHE2006  -5.019   5.067 -10.027
  910    HE2  PHE2006           HE1      PHE2006  -7.521   1.822 -11.203
  911    HZ   PHE2006           HZ       PHE2006  -7.068   4.238 -11.114
  912    H    LEU2007           HN       LEU2007  -2.377  -1.981 -10.288
  913    HA   LEU2007           HA       LEU2007  -2.480  -1.734 -13.122
  914    HB2  LEU2007           HB2      LEU2007  -2.923  -4.103 -11.282
  915    HB3  LEU2007           HB1      LEU2007  -3.004  -4.229 -13.023
  916    HG   LEU2007           HG       LEU2007  -0.598  -3.575 -13.152
  917   HD11  LEU2007          HD11      LEU2007  -0.361  -2.334 -11.080
  918   HD12  LEU2007          HD12      LEU2007   0.805  -3.657 -11.155
  919   HD13  LEU2007          HD13      LEU2007  -0.632  -3.807 -10.147
  920   HD21  LEU2007          HD21      LEU2007  -1.219  -5.968 -11.446
  921   HD22  LEU2007          HD22      LEU2007   0.291  -5.688 -12.311
  922   HD23  LEU2007          HD23      LEU2007  -1.215  -5.908 -13.211
  923    H    SER2008           HN       SER2008  -4.746  -2.875 -10.654
  924    HA   SER2008           HA       SER2008  -6.834  -1.273 -11.481
  925    HB2  SER2008           HB2      SER2008  -8.377  -3.115 -12.317
  926    HB3  SER2008           HB1      SER2008  -7.090  -2.662 -13.434
  927    HG   SER2008           HG       SER2008  -7.658  -5.046 -12.449
  928    H    PHE2009           HN       PHE2009  -8.620  -1.469 -10.107
  929    HA   PHE2009           HA       PHE2009  -8.243  -3.175  -7.773
  930    HB2  PHE2009           HB2      PHE2009  -8.877  -0.768  -7.415
  931    HB3  PHE2009           HB1      PHE2009 -10.318  -1.020  -8.394
  932    HD1  PHE2009           HD2      PHE2009 -12.209  -2.346  -7.509
  933    HD2  PHE2009           HD1      PHE2009  -8.763  -1.531  -5.151
  934    HE1  PHE2009           HE2      PHE2009 -13.434  -3.031  -5.481
  935    HE2  PHE2009           HE1      PHE2009  -9.991  -2.211  -3.128
  936    HZ   PHE2009           HZ       PHE2009 -12.325  -2.962  -3.297
  937    H    ASP2010           HN       ASP2010  -9.197  -5.171  -7.969
  938    HA   ASP2010           HA       ASP2010 -11.290  -5.394  -9.996
  939    HB2  ASP2010           HB2      ASP2010  -9.258  -6.916 -10.023
  940    HB3  ASP2010           HB1      ASP2010  -9.898  -7.642  -8.555
  941    H    GLU2011           HN       GLU2011 -13.195  -4.977  -9.150
  942    HA   GLU2011           HA       GLU2011 -13.749  -5.706  -6.412
  943    HB2  GLU2011           HB2      GLU2011 -15.868  -4.485  -6.697
  944    HB3  GLU2011           HB1      GLU2011 -14.490  -3.496  -7.127
  945    HG2  GLU2011           HG2      GLU2011 -16.139  -4.933  -9.188
  946    HG3  GLU2011           HG1      GLU2011 -16.569  -3.342  -8.581
  947    H    GLN2012           HN       GLN2012 -13.685  -7.439  -9.086
  948    HA   GLN2012           HA       GLN2012 -16.280  -8.713  -8.784
  949    HB2  GLN2012           HB2      GLN2012 -15.281  -8.205 -11.048
  950    HB3  GLN2012           HB1      GLN2012 -14.033  -9.390 -10.695
  951    HG2  GLN2012           HG2      GLN2012 -15.668 -10.437 -12.054
  952    HG3  GLN2012           HG1      GLN2012 -15.832 -11.089 -10.423
  953   HE21  GLN2012          HE21      GLN2012 -17.923 -11.643 -10.568
  954   HE22  GLN2012          HE22      GLN2012 -19.228 -10.521 -10.756
  955    H    THR2013           HN       THR2013 -12.852  -9.273  -8.273
  956    HA   THR2013           HA       THR2013 -13.587 -11.704  -6.799
  957    HB   THR2013           HB       THR2013 -12.216 -12.108  -8.872
  958    HG1  THR2013           HG1      THR2013 -11.861 -13.750  -7.639
  959   HG21  THR2013          HG21      THR2013  -9.818 -11.574  -8.830
  960   HG22  THR2013          HG22      THR2013 -10.048 -10.690  -7.320
  961   HG23  THR2013          HG23      THR2013 -10.806 -10.113  -8.805
  962    H    CYS2014           HN       CYS2014 -12.913  -8.626  -6.198
  963    HA   CYS2014           HA       CYS2014 -12.034  -7.388  -4.530
  964    HB2  CYS2014           HB2      CYS2014 -12.327  -9.974  -2.987
  965    HB3  CYS2014           HB1      CYS2014 -12.047  -8.397  -2.262
  966    H    THR2015           HN       THR2015 -10.136  -7.840  -6.119
  967    HA   THR2015           HA       THR2015  -7.811  -8.331  -4.434
  968    HB   THR2015           HB       THR2015  -8.135  -9.614  -7.175
  969    HG1  THR2015           HG1      THR2015  -9.322 -10.405  -5.172
  970   HG21  THR2015          HG21      THR2015  -6.066 -10.806  -6.584
  971   HG22  THR2015          HG22      THR2015  -6.008  -9.950  -5.042
  972   HG23  THR2015          HG23      THR2015  -5.808  -9.062  -6.550
  973    H    SER2016           HN       SER2016  -6.631  -6.633  -4.623
  974    HA   SER2016           HA       SER2016  -6.917  -5.005  -7.044
  975    HB2  SER2016           HB2      SER2016  -5.949  -4.071  -4.372
  976    HB3  SER2016           HB1      SER2016  -6.667  -3.135  -5.686
  977    HG   SER2016           HG       SER2016  -7.847  -4.255  -3.614
  978    H    TYR2017           HN       TYR2017  -5.013  -4.346  -8.022
  979    HA   TYR2017           HA       TYR2017  -2.554  -5.351  -6.773
  980    HB2  TYR2017           HB2      TYR2017  -3.164  -5.010  -9.716
  981    HB3  TYR2017           HB1      TYR2017  -1.576  -5.386  -9.063
  982    HD1  TYR2017           HD2      TYR2017  -1.341  -7.573  -7.737
  983    HD2  TYR2017           HD1      TYR2017  -4.672  -6.700 -10.227
  984    HE1  TYR2017           HE2      TYR2017  -1.901  -9.960  -7.814
  985    HE2  TYR2017           HE1      TYR2017  -5.249  -9.084 -10.304
  986    HH   TYR2017           HH       TYR2017  -3.931 -11.345  -8.187
  987    H    PHE2018           HN       PHE2018  -1.509  -3.735  -5.876
  988    HA   PHE2018           HA       PHE2018  -1.430  -1.164  -7.295
  989    HB2  PHE2018           HB2      PHE2018  -1.116  -1.719  -4.325
  990    HB3  PHE2018           HB1      PHE2018  -0.972  -0.143  -5.087
  991    HD1  PHE2018           HD2      PHE2018  -3.066   0.730  -6.311
  992    HD2  PHE2018           HD1      PHE2018  -3.143  -2.438  -3.489
  993    HE1  PHE2018           HE2      PHE2018  -5.470   1.106  -5.965
  994    HE2  PHE2018           HE1      PHE2018  -5.544  -2.070  -3.133
  995    HZ   PHE2018           HZ       PHE2018  -6.713  -0.293  -4.364
  996    H    SER2019           HN       SER2019   0.557  -0.831  -8.168
  997    HA   SER2019           HA       SER2019   2.758  -2.083  -6.754
  998    HB2  SER2019           HB2      SER2019   2.280  -3.159  -8.939
  999    HB3  SER2019           HB1      SER2019   2.559  -1.632  -9.759
 1000    HG   SER2019           HG       SER2019   4.499  -2.657  -8.010
 1001    H    TRP2020           HN       TRP2020   3.921  -0.640  -5.797
 1002    HA   TRP2020           HA       TRP2020   3.851   2.108  -6.773
 1003    HB2  TRP2020           HB2      TRP2020   3.195   1.623  -4.380
 1004    HB3  TRP2020           HB1      TRP2020   4.829   1.037  -4.114
 1005    HD1  TRP2020           HD1      TRP2020   6.675   3.219  -5.051
 1006    HE1  TRP2020           HE1      TRP2020   6.621   5.637  -4.101
 1007    HE3  TRP2020           HE3      TRP2020   1.951   3.311  -3.181
 1008    HZ2  TRP2020           HZ2      TRP2020   4.882   7.314  -2.813
 1009    HZ3  TRP2020           HZ3      TRP2020   1.177   5.375  -2.109
 1010    HH2  TRP2020           HH2      TRP2020   2.607   7.328  -1.922
 1011    H    HIS2021           HN       HIS2021   5.511   2.757  -7.848
 1012    HA   HIS2021           HA       HIS2021   7.965   1.220  -7.886
 1013    HB2  HIS2021           HB2      HIS2021   7.184   3.696  -9.476
 1014    HB3  HIS2021           HB1      HIS2021   8.630   2.727  -9.734
 1015    HD1  HIS2021           HD1      HIS2021   6.038   3.277 -11.739
 1016    HD2  HIS2021           HD2      HIS2021   7.112  -0.219  -9.746
 1017    HE1  HIS2021           HE1      HIS2021   4.965   1.400 -13.006
 1018    HE2  HIS2021           HE2      HIS2021   5.768  -0.710 -11.868
 1019    H    THR2022           HN       THR2022   8.961   1.613  -6.013
 1020    HA   THR2022           HA       THR2022   9.456   4.417  -5.295
 1021    HB   THR2022           HB       THR2022   7.950   3.670  -3.612
 1022    HG1  THR2022           HG1      THR2022   9.187   4.583  -2.234
 1023   HG21  THR2022          HG21      THR2022   9.688   1.217  -3.255
 1024   HG22  THR2022          HG22      THR2022   8.088   1.249  -3.994
 1025   HG23  THR2022          HG23      THR2022   8.272   1.625  -2.281
 1026    H    SER2023           HN       SER2023  11.471   4.982  -4.540
 1027    HA   SER2023           HA       SER2023  13.583   3.301  -5.367
 1028    HB2  SER2023           HB2      SER2023  14.786   5.428  -4.446
 1029    HB3  SER2023           HB1      SER2023  13.817   5.494  -5.930
 1030    HG   SER2023           HG       SER2023  13.128   7.192  -4.676
 1031    H    LEU2024           HN       LEU2024  11.784   3.565  -2.536
 1032    HA   LEU2024           HA       LEU2024  13.962   2.981  -0.685
 1033    HB2  LEU2024           HB2      LEU2024  10.967   3.222  -0.286
 1034    HB3  LEU2024           HB1      LEU2024  12.057   2.758   0.989
 1035    HG   LEU2024           HG       LEU2024  13.108   5.026   0.878
 1036   HD11  LEU2024          HD11      LEU2024  12.004   6.816  -0.346
 1037   HD12  LEU2024          HD12      LEU2024  10.898   5.651  -1.076
 1038   HD13  LEU2024          HD13      LEU2024  12.618   5.586  -1.454
 1039   HD21  LEU2024          HD21      LEU2024  10.125   4.986   1.260
 1040   HD22  LEU2024          HD22      LEU2024  11.232   6.208   1.885
 1041   HD23  LEU2024          HD23      LEU2024  11.340   4.545   2.459
 1042    H    ALA2025           HN       ALA2025  12.246   1.292  -2.877
 1043    HA   ALA2025           HA       ALA2025  11.462  -1.019  -1.380
 1044    HB1  ALA2025           HB1      ALA2025  10.265  -0.307  -3.366
 1045    HB2  ALA2025           HB2      ALA2025  10.829  -1.975  -3.515
 1046    HB3  ALA2025           HB3      ALA2025  11.678  -0.667  -4.347
 1047    H    CYS2026           HN       CYS2026  14.340  -0.259  -3.309
 1048    HA   CYS2026           HA       CYS2026  15.481  -2.566  -2.142
 1049    HB2  CYS2026           HB2      CYS2026  16.351  -3.612  -4.145
 1050    HB3  CYS2026           HB1      CYS2026  14.624  -3.384  -4.370
 1051    H    GLU2027           HN       GLU2027  18.079  -2.445  -3.394
 1052    HA   GLU2027           HA       GLU2027  18.946   0.088  -2.276
 1053    HB2  GLU2027           HB2      GLU2027  20.178  -2.094  -1.921
 1054    HB3  GLU2027           HB1      GLU2027  20.588  -2.063  -3.628
 1055    HG2  GLU2027           HG2      GLU2027  21.664   0.168  -3.227
 1056    HG3  GLU2027           HG1      GLU2027  21.427  -0.114  -1.506
 1057    H    GLU2028           HN       GLU2028  18.456  -1.534  -5.241
 1058    HA   GLU2028           HA       GLU2028  18.162  -0.900  -7.311
 1059    HB2  GLU2028           HB2      GLU2028  18.655   1.881  -6.313
 1060    HB3  GLU2028           HB1      GLU2028  18.421   1.492  -8.006
 1061    HG2  GLU2028           HG2      GLU2028  16.217   0.462  -7.301
 1062    HG3  GLU2028           HG1      GLU2028  16.479   1.269  -5.748
 1063    H    GLU2029           HN       GLU2029  19.217   0.143  -9.163
 1064    HA   GLU2029           HA       GLU2029  22.076   0.344  -9.023
 1065    HB2  GLU2029           HB2      GLU2029  21.663  -2.044  -9.526
 1066    HB3  GLU2029           HB1      GLU2029  20.525  -1.586 -10.778
 1067    HG2  GLU2029           HG2      GLU2029  22.293  -0.662 -12.115
 1068    HG3  GLU2029           HG1      GLU2029  23.462  -0.956 -10.826
 1069    H    VAL2030           HN       VAL2030  22.053   2.382  -9.626
 1070    HA   VAL2030           HA       VAL2030  20.157   3.231 -11.687
 1071    HB   VAL2030           HB       VAL2030  21.771   4.931  -9.763
 1072   HG11  VAL2030          HG11      VAL2030  20.293   6.751 -10.465
 1073   HG12  VAL2030          HG12      VAL2030  19.520   5.674 -11.628
 1074   HG13  VAL2030          HG13      VAL2030  21.217   6.113 -11.825
 1075   HG21  VAL2030          HG21      VAL2030  19.649   5.292  -8.600
 1076   HG22  VAL2030          HG22      VAL2030  20.111   3.589  -8.591
 1077   HG23  VAL2030          HG23      VAL2030  18.858   4.157  -9.693
 1078    HA   PRO2031           HA       PRO2031  23.665   3.217 -14.479
 1079    HB2  PRO2031           HB2      PRO2031  21.605   3.944 -16.429
 1080    HB3  PRO2031           HB1      PRO2031  22.608   2.498 -16.360
 1081    HG2  PRO2031           HG2      PRO2031  19.948   2.466 -15.868
 1082    HG3  PRO2031           HG1      PRO2031  21.087   1.345 -15.100
 1083    HD2  PRO2031           HD2      PRO2031  19.773   3.782 -13.934
 1084    HD3  PRO2031           HD1      PRO2031  20.178   2.228 -13.210
 1085    H    ARG2032           HN       ARG2032  22.880   5.644 -12.929
 1086    HA   ARG2032           HA       ARG2032  23.477   7.665 -14.962
 1087    HB2  ARG2032           HB2      ARG2032  21.678   8.048 -12.543
 1088    HB3  ARG2032           HB1      ARG2032  22.114   9.292 -13.704
 1089    HG2  ARG2032           HG2      ARG2032  20.518   6.809 -14.329
 1090    HG3  ARG2032           HG1      ARG2032  19.852   8.422 -14.074
 1091    HD2  ARG2032           HD2      ARG2032  20.961   9.259 -16.023
 1092    HD3  ARG2032           HD1      ARG2032  21.881   7.763 -16.200
 1093    HE   ARG2032           HE       ARG2032  19.531   6.753 -16.446
 1094   HH11  ARG2032          HH11      ARG2032  20.520   9.909 -17.729
 1095   HH12  ARG2032          HH12      ARG2032  19.469   9.872 -19.061
 1096   HH21  ARG2032          HH21      ARG2032  18.144   6.645 -18.325
 1097   HH22  ARG2032          HH22      ARG2032  18.089   7.951 -19.421
  Start of MODEL    8
    1    H1   MET1885           HT1      MET1885  16.564   8.632   2.372
    2    H2   MET1885           HT2      MET1885  17.350   7.818   1.114
    3    H3   MET1885           HT3      MET1885  17.114   7.066   2.604
    4    HA   MET1885           HA       MET1885  14.912   7.843   0.807
    5    HB2  MET1885           HB2      MET1885  16.054   5.113   1.482
    6    HB3  MET1885           HB1      MET1885  14.572   5.384   0.596
    7    HG2  MET1885           HG2      MET1885  15.917   6.469  -1.191
    8    HG3  MET1885           HG1      MET1885  17.373   6.028  -0.295
    9    HE1  MET1885           HE1      MET1885  17.433   3.431  -3.256
   10    HE2  MET1885           HE2      MET1885  18.353   4.655  -2.381
   11    HE3  MET1885           HE3      MET1885  16.936   5.122  -3.322
   12    H    LYS1886           HN       LYS1886  15.344   8.440   3.780
   13    HA   LYS1886           HA       LYS1886  13.026   6.929   4.663
   14    HB2  LYS1886           HB2      LYS1886  14.014   6.744   6.930
   15    HB3  LYS1886           HB1      LYS1886  14.918   5.848   5.724
   16    HG2  LYS1886           HG2      LYS1886  16.559   7.706   5.651
   17    HG3  LYS1886           HG1      LYS1886  15.665   8.492   6.952
   18    HD2  LYS1886           HD2      LYS1886  16.975   5.769   7.093
   19    HD3  LYS1886           HD1      LYS1886  17.588   7.256   7.816
   20    HE2  LYS1886           HE2      LYS1886  15.592   7.389   9.234
   21    HE3  LYS1886           HE1      LYS1886  14.977   5.906   8.505
   22    HZ1  LYS1886           HZ1      LYS1886  16.007   5.433  10.603
   23    HZ2  LYS1886           HZ2      LYS1886  17.431   6.189  10.150
   24    HZ3  LYS1886           HZ3      LYS1886  16.967   4.751   9.380
   25    H    SER1887           HN       SER1887  11.719   8.016   6.131
   26    HA   SER1887           HA       SER1887  12.356  10.841   6.597
   27    HB2  SER1887           HB2      SER1887  11.132  10.875   4.489
   28    HB3  SER1887           HB1      SER1887   9.820   9.954   5.215
   29    HG   SER1887           HG       SER1887   9.009  11.754   5.938
   30    H    ASN1888           HN       ASN1888   9.263   9.042   7.046
   31    HA   ASN1888           HA       ASN1888   9.255  10.063   9.814
   32    HB2  ASN1888           HB2      ASN1888   7.446  10.889   8.321
   33    HB3  ASN1888           HB1      ASN1888   7.011   9.202   8.059
   34   HD21  ASN1888          HD21      ASN1888   5.010   9.461   8.844
   35   HD22  ASN1888          HD22      ASN1888   4.691   9.590  10.549
   36    H    VAL1889           HN       VAL1889   9.598   8.763  11.282
   37    HA   VAL1889           HA       VAL1889   9.129   5.940  10.824
   38    HB   VAL1889           HB       VAL1889  10.417   5.593  13.009
   39   HG11  VAL1889          HG11      VAL1889  11.436   5.251  10.818
   40   HG12  VAL1889          HG12      VAL1889  12.597   5.949  11.946
   41   HG13  VAL1889          HG13      VAL1889  11.830   6.967  10.727
   42   HG21  VAL1889          HG21      VAL1889  11.107   8.509  12.577
   43   HG22  VAL1889          HG22      VAL1889  11.877   7.431  13.741
   44   HG23  VAL1889          HG23      VAL1889  10.174   7.857  13.921
   45    H    GLN1890           HN       GLN1890   7.133   5.495  11.141
   46    HA   GLN1890           HA       GLN1890   5.532   6.634  13.223
   47    HB2  GLN1890           HB2      GLN1890   5.002   4.301  11.377
   48    HB3  GLN1890           HB1      GLN1890   3.829   4.919  12.528
   49    HG2  GLN1890           HG2      GLN1890   5.100   6.495  10.348
   50    HG3  GLN1890           HG1      GLN1890   3.509   5.746  10.225
   51   HE21  GLN1890          HE21      GLN1890   1.763   6.646  11.374
   52   HE22  GLN1890          HE22      GLN1890   1.884   8.203  12.123
   53    H    ASN1891           HN       ASN1891   6.139   3.195  12.656
   54    HA   ASN1891           HA       ASN1891   6.816   2.851  15.471
   55    HB2  ASN1891           HB2      ASN1891   4.663   1.166  14.153
   56    HB3  ASN1891           HB1      ASN1891   5.229   1.042  15.810
   57   HD21  ASN1891          HD21      ASN1891   4.582   2.670  17.298
   58   HD22  ASN1891          HD22      ASN1891   3.197   3.649  16.961
   59    H    ASP1892           HN       ASP1892   5.932   0.917  12.622
   60    HA   ASP1892           HA       ASP1892   8.642   0.024  12.416
   61    HB2  ASP1892           HB2      ASP1892   7.773  -1.599  14.054
   62    HB3  ASP1892           HB1      ASP1892   6.494  -2.076  12.958
   63    H    CYS1893           HN       CYS1893   6.333  -2.136  10.974
   64    HA   CYS1893           HA       CYS1893   6.285  -2.776   8.849
   65    HB2  CYS1893           HB2      CYS1893   4.372  -1.195   8.960
   66    HB3  CYS1893           HB1      CYS1893   5.425   0.089   8.379
   67    H    ARG1894           HN       ARG1894   8.482  -3.103   8.847
   68    HA   ARG1894           HA       ARG1894   9.787  -1.975   6.621
   69    HB2  ARG1894           HB2      ARG1894  11.786  -1.228   7.895
   70    HB3  ARG1894           HB1      ARG1894  10.372  -0.258   8.266
   71    HG2  ARG1894           HG2      ARG1894  10.096  -1.798  10.291
   72    HG3  ARG1894           HG1      ARG1894  11.747  -2.312   9.953
   73    HD2  ARG1894           HD2      ARG1894  10.804   0.488  10.529
   74    HD3  ARG1894           HD1      ARG1894  11.734  -0.549  11.604
   75    HE   ARG1894           HE       ARG1894  12.739   0.513   9.060
   76   HH11  ARG1894          HH11      ARG1894  13.288  -0.501  12.413
   77   HH12  ARG1894          HH12      ARG1894  14.850   0.187  12.517
   78   HH21  ARG1894          HH21      ARG1894  14.909   1.437   9.186
   79   HH22  ARG1894          HH22      ARG1894  15.824   1.248  10.606
   80    H    VAL1895           HN       VAL1895  11.410  -3.467   5.966
   81    HA   VAL1895           HA       VAL1895  11.599  -5.815   7.670
   82    HB   VAL1895           HB       VAL1895   9.697  -6.203   6.152
   83   HG11  VAL1895          HG11      VAL1895  10.033  -6.575   3.764
   84   HG12  VAL1895          HG12      VAL1895  11.681  -5.964   3.921
   85   HG13  VAL1895          HG13      VAL1895  10.305  -4.905   4.258
   86   HG21  VAL1895          HG21      VAL1895  10.389  -8.398   5.294
   87   HG22  VAL1895          HG22      VAL1895  10.937  -8.112   6.946
   88   HG23  VAL1895          HG23      VAL1895  12.070  -7.970   5.602
   89    H    THR1896           HN       THR1896  13.473  -6.773   7.655
   90    HA   THR1896           HA       THR1896  15.562  -5.628   5.977
   91    HB   THR1896           HB       THR1896  15.825  -7.558   8.300
   92    HG1  THR1896           HG1      THR1896  14.861  -5.519   8.939
   93   HG21  THR1896          HG21      THR1896  18.148  -6.741   8.353
   94   HG22  THR1896          HG22      THR1896  17.816  -5.702   6.967
   95   HG23  THR1896          HG23      THR1896  17.770  -7.451   6.781
   96    H    ASN1897           HN       ASN1897  15.786  -6.649   4.062
   97    HA   ASN1897           HA       ASN1897  15.151  -9.484   3.804
   98    HB2  ASN1897           HB2      ASN1897  14.529  -7.828   1.999
   99    HB3  ASN1897           HB1      ASN1897  16.243  -7.564   1.711
  100   HD21  ASN1897          HD21      ASN1897  14.353  -8.498  -0.214
  101   HD22  ASN1897          HD22      ASN1897  14.831 -10.099  -0.669
  102    HA   PRO1898           HA       PRO1898  19.481 -10.231   4.820
  103    HB2  PRO1898           HB2      PRO1898  19.343 -12.936   4.809
  104    HB3  PRO1898           HB1      PRO1898  18.754 -11.953   6.154
  105    HG2  PRO1898           HG2      PRO1898  17.223 -13.195   3.907
  106    HG3  PRO1898           HG1      PRO1898  16.828 -13.146   5.636
  107    HD2  PRO1898           HD2      PRO1898  15.697 -11.473   3.843
  108    HD3  PRO1898           HD1      PRO1898  16.036 -10.988   5.518
  109    H    ALA1899           HN       ALA1899  17.733 -11.544   2.076
  110    HA   ALA1899           HA       ALA1899  20.005 -12.693   0.783
  111    HB1  ALA1899           HB1      ALA1899  17.721 -13.451   0.286
  112    HB2  ALA1899           HB2      ALA1899  18.541 -12.897  -1.173
  113    HB3  ALA1899           HB3      ALA1899  17.341 -11.867  -0.390
  114    H    THR1900           HN       THR1900  18.306  -9.659   0.597
  115    HA   THR1900           HA       THR1900  20.038  -8.626  -1.463
  116    HB   THR1900           HB       THR1900  18.064  -7.082   0.236
  117    HG1  THR1900           HG1      THR1900  17.626  -8.543  -2.170
  118   HG21  THR1900          HG21      THR1900  19.566  -5.776  -1.195
  119   HG22  THR1900          HG22      THR1900  17.895  -5.701  -1.763
  120   HG23  THR1900          HG23      THR1900  19.061  -6.736  -2.586
  121    H    GLY1901           HN       GLY1901  19.520  -8.202   2.050
  122    HA2  GLY1901           HA2      GLY1901  21.115  -7.565   3.612
  123    HA3  GLY1901           HA1      GLY1901  22.175  -7.042   2.303
  124    H    HIS1902           HN       HIS1902  19.073  -6.089   1.839
  125    HA   HIS1902           HA       HIS1902  19.684  -3.339   2.680
  126    HB2  HIS1902           HB2      HIS1902  19.440  -3.878   0.182
  127    HB3  HIS1902           HB1      HIS1902  17.749  -4.198   0.513
  128    HD1  HIS1902           HD1      HIS1902  19.896  -1.642  -0.684
  129    HD2  HIS1902           HD2      HIS1902  16.469  -1.676   1.678
  130    HE1  HIS1902           HE1      HIS1902  18.942   0.685  -0.818
  131    HE2  HIS1902           HE2      HIS1902  16.938   0.666   0.721
  132    H    LEU1903           HN       LEU1903  18.332  -2.483   4.100
  133    HA   LEU1903           HA       LEU1903  16.050  -4.036   5.046
  134    HB2  LEU1903           HB2      LEU1903  17.792  -2.865   6.550
  135    HB3  LEU1903           HB1      LEU1903  17.082  -1.355   6.037
  136    HG   LEU1903           HG       LEU1903  15.670  -3.505   7.645
  137   HD11  LEU1903          HD11      LEU1903  16.790  -0.847   8.467
  138   HD12  LEU1903          HD12      LEU1903  17.430  -2.435   8.904
  139   HD13  LEU1903          HD13      LEU1903  15.844  -1.923   9.494
  140   HD21  LEU1903          HD21      LEU1903  13.932  -1.823   8.037
  141   HD22  LEU1903          HD22      LEU1903  14.085  -2.162   6.315
  142   HD23  LEU1903          HD23      LEU1903  14.780  -0.689   6.988
  143    H    PHE1904           HN       PHE1904  14.096  -3.625   4.168
  144    HA   PHE1904           HA       PHE1904  13.816  -1.265   2.468
  145    HB2  PHE1904           HB2      PHE1904  11.916  -3.585   2.824
  146    HB3  PHE1904           HB1      PHE1904  11.829  -2.333   1.603
  147    HD1  PHE1904           HD2      PHE1904  14.682  -2.292   0.783
  148    HD2  PHE1904           HD1      PHE1904  12.041  -5.533   1.523
  149    HE1  PHE1904           HE2      PHE1904  16.003  -3.682  -0.700
  150    HE2  PHE1904           HE1      PHE1904  13.363  -6.956   0.034
  151    HZ   PHE1904           HZ       PHE1904  15.152  -6.091  -1.220
  152    H    ASP1905           HN       ASP1905  12.749   0.377   3.192
  153    HA   ASP1905           HA       ASP1905  10.690   0.063   5.172
  154    HB2  ASP1905           HB2      ASP1905  12.448   0.277   6.671
  155    HB3  ASP1905           HB1      ASP1905  13.285   1.458   5.674
  156    H    LEU1906           HN       LEU1906   9.128   1.222   4.639
  157    HA   LEU1906           HA       LEU1906   9.366   3.307   2.613
  158    HB2  LEU1906           HB2      LEU1906   6.964   1.964   3.847
  159    HB3  LEU1906           HB1      LEU1906   6.912   3.108   2.522
  160    HG   LEU1906           HG       LEU1906   8.326   0.443   2.374
  161   HD11  LEU1906          HD11      LEU1906   5.601   1.239   1.381
  162   HD12  LEU1906          HD12      LEU1906   5.943   0.103   2.691
  163   HD13  LEU1906          HD13      LEU1906   6.428  -0.276   1.035
  164   HD21  LEU1906          HD21      LEU1906   9.154   2.120   0.823
  165   HD22  LEU1906          HD22      LEU1906   7.510   2.422   0.254
  166   HD23  LEU1906          HD23      LEU1906   8.269   0.856  -0.028
  167    H    THR1907           HN       THR1907  10.438   4.294   5.003
  168    HA   THR1907           HA       THR1907   8.514   5.489   6.662
  169    HB   THR1907           HB       THR1907  10.620   7.034   7.148
  170    HG1  THR1907           HG1      THR1907  12.037   4.760   6.517
  171   HG21  THR1907          HG21      THR1907  11.335   5.351   8.790
  172   HG22  THR1907          HG22      THR1907  10.391   4.133   7.931
  173   HG23  THR1907          HG23      THR1907   9.576   5.480   8.727
  174    H    SER1908           HN       SER1908   9.890   6.603   3.644
  175    HA   SER1908           HA       SER1908   8.993   9.294   4.028
  176    HB2  SER1908           HB2      SER1908   9.762   7.924   1.445
  177    HB3  SER1908           HB1      SER1908   9.806   9.657   1.798
  178    HG   SER1908           HG       SER1908  11.880   9.083   2.215
  179    H    LEU1909           HN       LEU1909   7.365   6.491   3.519
  180    HA   LEU1909           HA       LEU1909   5.246   7.826   2.007
  181    HB2  LEU1909           HB2      LEU1909   6.391   5.630   1.175
  182    HB3  LEU1909           HB1      LEU1909   5.414   4.852   2.398
  183    HG   LEU1909           HG       LEU1909   4.470   4.756   0.080
  184   HD11  LEU1909          HD11      LEU1909   2.755   6.227   2.076
  185   HD12  LEU1909          HD12      LEU1909   2.978   4.481   1.994
  186   HD13  LEU1909          HD13      LEU1909   2.178   5.330   0.671
  187   HD21  LEU1909          HD21      LEU1909   4.240   7.720   0.502
  188   HD22  LEU1909          HD22      LEU1909   3.393   6.845  -0.753
  189   HD23  LEU1909          HD23      LEU1909   5.163   6.884  -0.749
  190    H    LYS1910           HN       LYS1910   5.895   5.711   4.794
  191    HA   LYS1910           HA       LYS1910   3.255   5.642   5.764
  192    HB2  LYS1910           HB2      LYS1910   4.256   4.944   7.952
  193    HB3  LYS1910           HB1      LYS1910   4.810   3.986   6.589
  194    HG2  LYS1910           HG2      LYS1910   6.939   4.980   6.613
  195    HG3  LYS1910           HG1      LYS1910   6.399   6.306   7.638
  196    HD2  LYS1910           HD2      LYS1910   7.686   4.894   9.007
  197    HD3  LYS1910           HD1      LYS1910   5.992   4.663   9.415
  198    HE2  LYS1910           HE2      LYS1910   7.090   2.489   9.389
  199    HE3  LYS1910           HE1      LYS1910   5.901   2.595   8.105
  200    HZ1  LYS1910           HZ1      LYS1910   7.785   2.958   6.522
  201    HZ2  LYS1910           HZ2      LYS1910   7.891   1.493   7.361
  202    HZ3  LYS1910           HZ3      LYS1910   8.905   2.700   7.765
  203    H    ARG1911           HN       ARG1911   2.123   7.341   6.278
  204    HA   ARG1911           HA       ARG1911   3.372   9.246   8.026
  205    HB2  ARG1911           HB2      ARG1911   2.345  11.145   6.781
  206    HB3  ARG1911           HB1      ARG1911   3.665  10.333   5.967
  207    HG2  ARG1911           HG2      ARG1911   1.918   9.107   4.617
  208    HG3  ARG1911           HG1      ARG1911   0.724  10.209   5.326
  209    HD2  ARG1911           HD2      ARG1911   2.026  12.120   4.509
  210    HD3  ARG1911           HD1      ARG1911   3.186  11.014   3.784
  211    HE   ARG1911           HE       ARG1911   0.433  10.765   2.908
  212   HH11  ARG1911          HH11      ARG1911   3.736  11.926   2.180
  213   HH12  ARG1911          HH12      ARG1911   3.333  12.439   0.611
  214   HH21  ARG1911          HH21      ARG1911  -0.048  11.460   0.660
  215   HH22  ARG1911          HH22      ARG1911   1.211  12.103  -0.268
  216    H    GLU1912           HN       GLU1912   1.651  10.922   8.641
  217    HA   GLU1912           HA       GLU1912  -0.023   9.476  10.410
  218    HB2  GLU1912           HB2      GLU1912  -0.584  11.651  11.334
  219    HB3  GLU1912           HB1      GLU1912   1.143  11.517  11.073
  220    HG2  GLU1912           HG2      GLU1912  -0.834  13.102   9.408
  221    HG3  GLU1912           HG1      GLU1912   0.379  13.745  10.507
  222    H    SER1913           HN       SER1913  -0.603  11.199   7.454
  223    HA   SER1913           HA       SER1913  -3.444  11.251   7.887
  224    HB2  SER1913           HB2      SER1913  -3.302  12.450   5.627
  225    HB3  SER1913           HB1      SER1913  -2.586  13.236   7.037
  226    HG   SER1913           HG       SER1913  -0.576  12.755   6.340
  227    H    GLY1914           HN       GLY1914  -1.600  10.397   4.991
  228    HA2  GLY1914           HA2      GLY1914  -2.118   7.791   4.607
  229    HA3  GLY1914           HA1      GLY1914  -3.619   8.588   4.098
  230    H    TYR1915           HN       TYR1915  -2.683   7.458   2.024
  231    HA   TYR1915           HA       TYR1915  -1.323   9.573   0.567
  232    HB2  TYR1915           HB2      TYR1915   0.272   7.687   1.147
  233    HB3  TYR1915           HB1      TYR1915  -0.773   6.604   0.237
  234    HD1  TYR1915           HD2      TYR1915  -0.917   6.800  -2.212
  235    HD2  TYR1915           HD1      TYR1915   1.713   9.245   0.052
  236    HE1  TYR1915           HE2      TYR1915   0.281   7.402  -4.254
  237    HE2  TYR1915           HE1      TYR1915   2.920   9.855  -1.999
  238    HH   TYR1915           HH       TYR1915   3.242   8.712  -4.286
  239    H    THR1916           HN       THR1916  -2.172   9.909  -1.402
  240    HA   THR1916           HA       THR1916  -4.569   8.322  -1.999
  241    HB   THR1916           HB       THR1916  -4.975  10.702  -1.303
  242    HG1  THR1916           HG1      THR1916  -6.494   9.723  -2.581
  243   HG21  THR1916          HG21      THR1916  -2.995  11.731  -2.278
  244   HG22  THR1916          HG22      THR1916  -4.445  12.474  -2.977
  245   HG23  THR1916          HG23      THR1916  -3.528  11.263  -3.888
  246    H    ILE1917           HN       ILE1917  -4.962   7.652  -3.839
  247    HA   ILE1917           HA       ILE1917  -3.366   8.436  -6.164
  248    HB   ILE1917           HB       ILE1917  -4.603   5.846  -6.412
  249   HG12  ILE1917          HG12      ILE1917  -2.285   5.936  -4.442
  250   HG13  ILE1917          HG11      ILE1917  -3.961   5.607  -4.010
  251   HG21  ILE1917          HG21      ILE1917  -3.000   6.724  -8.022
  252   HG22  ILE1917          HG22      ILE1917  -2.360   5.225  -7.355
  253   HG23  ILE1917          HG23      ILE1917  -1.728   6.771  -6.801
  254   HD11  ILE1917          HD11      ILE1917  -3.905   3.572  -5.358
  255   HD12  ILE1917          HD12      ILE1917  -2.646   3.562  -4.123
  256   HD13  ILE1917          HD13      ILE1917  -2.233   3.912  -5.801
  257    H    THR1918           HN       THR1918  -4.884   7.541  -8.075
  258    HA   THR1918           HA       THR1918  -7.537   8.545  -7.319
  259    HB   THR1918           HB       THR1918  -6.452   8.445 -10.152
  260    HG1  THR1918           HG1      THR1918  -5.098   9.714  -8.931
  261   HG21  THR1918          HG21      THR1918  -8.163  10.178 -10.528
  262   HG22  THR1918          HG22      THR1918  -8.623  10.102  -8.826
  263   HG23  THR1918          HG23      THR1918  -8.903   8.715  -9.876
  264    H    ASP1919           HN       ASP1919  -9.319   7.306  -7.687
  265    HA   ASP1919           HA       ASP1919  -8.978   4.538  -8.203
  266    HB2  ASP1919           HB2      ASP1919 -10.644   5.135  -6.629
  267    HB3  ASP1919           HB1      ASP1919 -11.280   6.396  -7.659
  268    H    SER1920           HN       SER1920 -10.749   3.610  -9.863
  269    HA   SER1920           HA       SER1920  -9.740   3.700 -12.358
  270    HB2  SER1920           HB2      SER1920 -11.947   2.757 -13.063
  271    HB3  SER1920           HB1      SER1920 -11.307   2.051 -11.571
  272    HG   SER1920           HG       SER1920 -13.035   2.579 -10.671
  273    H    HIS1921           HN       HIS1921 -12.575   5.527 -11.323
  274    HA   HIS1921           HA       HIS1921 -11.804   7.891 -12.761
  275    HB2  HIS1921           HB2      HIS1921 -12.609   6.411 -14.635
  276    HB3  HIS1921           HB1      HIS1921 -14.192   6.384 -13.871
  277    HD1  HIS1921           HD1      HIS1921 -15.745   7.919 -14.976
  278    HD2  HIS1921           HD2      HIS1921 -11.841   9.333 -15.117
  279    HE1  HIS1921           HE1      HIS1921 -15.852  10.100 -16.233
  280    HE2  HIS1921           HE2      HIS1921 -13.474  10.896 -16.373
  281    H    ASN1922           HN       ASN1922 -13.250   6.558 -10.177
  282    HA   ASN1922           HA       ASN1922 -15.387   8.580 -10.151
  283    HB2  ASN1922           HB2      ASN1922 -16.085   6.167 -10.299
  284    HB3  ASN1922           HB1      ASN1922 -15.387   5.959  -8.725
  285   HD21  ASN1922          HD21      ASN1922 -17.209   8.846  -9.760
  286   HD22  ASN1922          HD22      ASN1922 -18.476   8.605  -8.619
  287    H    ARG1923           HN       ARG1923 -13.583   6.503  -8.014
  288    HA   ARG1923           HA       ARG1923 -14.092   8.351  -5.767
  289    HB2  ARG1923           HB2      ARG1923 -12.690   5.787  -5.323
  290    HB3  ARG1923           HB1      ARG1923 -13.950   6.559  -4.380
  291    HG2  ARG1923           HG2      ARG1923 -15.581   5.858  -6.164
  292    HG3  ARG1923           HG1      ARG1923 -14.259   4.943  -6.899
  293    HD2  ARG1923           HD2      ARG1923 -13.984   3.867  -4.605
  294    HD3  ARG1923           HD1      ARG1923 -15.577   4.531  -4.243
  295    HE   ARG1923           HE       ARG1923 -15.226   2.927  -6.635
  296   HH11  ARG1923          HH11      ARG1923 -16.814   3.323  -3.457
  297   HH12  ARG1923          HH12      ARG1923 -17.547   1.793  -3.506
  298   HH21  ARG1923          HH21      ARG1923 -16.258   0.794  -6.634
  299   HH22  ARG1923          HH22      ARG1923 -17.250   0.351  -5.310
  300    H    LYS1924           HN       LYS1924 -12.233   8.101  -4.029
  301    HA   LYS1924           HA       LYS1924  -9.640   8.666  -5.302
  302    HB2  LYS1924           HB2      LYS1924 -10.715   9.421  -2.578
  303    HB3  LYS1924           HB1      LYS1924  -9.057   9.673  -3.086
  304    HG2  LYS1924           HG2      LYS1924 -11.502  10.939  -4.280
  305    HG3  LYS1924           HG1      LYS1924 -10.344  11.713  -3.200
  306    HD2  LYS1924           HD2      LYS1924  -8.569  11.278  -4.896
  307    HD3  LYS1924           HD1      LYS1924  -9.827  10.678  -5.984
  308    HE2  LYS1924           HE2      LYS1924  -9.615  13.454  -4.822
  309    HE3  LYS1924           HE1      LYS1924  -9.305  12.990  -6.492
  310    HZ1  LYS1924           HZ1      LYS1924 -11.642  12.322  -6.672
  311    HZ2  LYS1924           HZ2      LYS1924 -11.455  13.972  -6.234
  312    HZ3  LYS1924           HZ3      LYS1924 -11.898  12.868  -5.069
  313    H    ILE1925           HN       ILE1925  -7.908   7.392  -4.664
  314    HA   ILE1925           HA       ILE1925  -8.686   5.184  -2.945
  315    HB   ILE1925           HB       ILE1925  -6.179   5.435  -4.661
  316   HG12  ILE1925          HG12      ILE1925  -8.699   3.813  -5.069
  317   HG13  ILE1925          HG11      ILE1925  -8.219   5.215  -6.012
  318   HG21  ILE1925          HG21      ILE1925  -7.305   3.104  -3.101
  319   HG22  ILE1925          HG22      ILE1925  -5.872   4.038  -2.671
  320   HG23  ILE1925          HG23      ILE1925  -5.876   3.054  -4.135
  321   HD11  ILE1925          HD11      ILE1925  -6.750   2.570  -5.903
  322   HD12  ILE1925          HD12      ILE1925  -6.236   3.970  -6.828
  323   HD13  ILE1925          HD13      ILE1925  -7.736   3.143  -7.246
  324    H    GLU1926           HN       GLU1926  -8.565   5.917  -1.002
  325    HA   GLU1926           HA       GLU1926  -6.264   7.464  -0.068
  326    HB2  GLU1926           HB2      GLU1926  -8.599   8.138   0.545
  327    HB3  GLU1926           HB1      GLU1926  -8.793   6.598   1.363
  328    HG2  GLU1926           HG2      GLU1926  -8.333   8.067   3.089
  329    HG3  GLU1926           HG1      GLU1926  -6.769   7.327   2.772
  330    H    LEU1927           HN       LEU1927  -4.621   6.034   0.267
  331    HA   LEU1927           HA       LEU1927  -5.205   3.914   2.122
  332    HB2  LEU1927           HB2      LEU1927  -3.659   2.346   0.837
  333    HB3  LEU1927           HB1      LEU1927  -5.250   2.614   0.200
  334    HG   LEU1927           HG       LEU1927  -4.278   4.164  -1.504
  335   HD11  LEU1927          HD11      LEU1927  -1.638   3.138  -0.499
  336   HD12  LEU1927          HD12      LEU1927  -2.222   4.794  -0.375
  337   HD13  LEU1927          HD13      LEU1927  -1.893   4.091  -1.961
  338   HD21  LEU1927          HD21      LEU1927  -3.216   1.353  -1.457
  339   HD22  LEU1927          HD22      LEU1927  -3.337   2.388  -2.880
  340   HD23  LEU1927          HD23      LEU1927  -4.800   1.874  -2.033
  341    H    ASN1928           HN       ASN1928  -3.709   3.520   3.577
  342    HA   ASN1928           HA       ASN1928  -1.314   5.159   3.289
  343    HB2  ASN1928           HB2      ASN1928  -2.991   5.997   5.012
  344    HB3  ASN1928           HB1      ASN1928  -2.621   4.552   5.940
  345   HD21  ASN1928          HD21      ASN1928  -1.937   6.034   7.593
  346   HD22  ASN1928          HD22      ASN1928  -0.382   6.763   7.511
  347    H    VAL1929           HN       VAL1929   0.489   4.187   3.512
  348    HA   VAL1929           HA       VAL1929   0.376   1.299   3.947
  349    HB   VAL1929           HB       VAL1929   2.264   2.969   2.263
  350   HG11  VAL1929          HG11      VAL1929   3.226   0.851   1.518
  351   HG12  VAL1929          HG12      VAL1929   2.213  -0.013   2.675
  352   HG13  VAL1929          HG13      VAL1929   3.460   1.095   3.249
  353   HG21  VAL1929          HG21      VAL1929   0.065   2.688   1.273
  354   HG22  VAL1929          HG22      VAL1929   0.171   0.943   1.494
  355   HG23  VAL1929          HG23      VAL1929   1.268   1.760   0.381
  356    H    CYS1930           HN       CYS1930   1.499   0.463   5.532
  357    HA   CYS1930           HA       CYS1930   2.959   0.135   7.196
  358    HB2  CYS1930           HB2      CYS1930   4.407   2.416   5.908
  359    HB3  CYS1930           HB1      CYS1930   4.982   1.688   7.402
  360    H    ALA1931           HN       ALA1931   0.887   2.510   7.082
  361    HA   ALA1931           HA       ALA1931   0.969   2.919   9.893
  362    HB1  ALA1931           HB1      ALA1931   0.874   5.389   9.680
  363    HB2  ALA1931           HB2      ALA1931   1.174   5.243   7.947
  364    HB3  ALA1931           HB3      ALA1931   2.418   4.755   9.100
  365    H    GLU1932           HN       GLU1932  -1.119   3.803  10.512
  366    HA   GLU1932           HA       GLU1932  -3.116   2.734   8.760
  367    HB2  GLU1932           HB2      GLU1932  -4.693   3.217  10.695
  368    HB3  GLU1932           HB1      GLU1932  -3.431   2.044  10.992
  369    HG2  GLU1932           HG2      GLU1932  -3.286   4.923  11.894
  370    HG3  GLU1932           HG1      GLU1932  -3.932   3.618  12.881
  371    H    ALA1933           HN       ALA1933  -4.883   3.799   7.895
  372    HA   ALA1933           HA       ALA1933  -4.245   6.507   7.163
  373    HB1  ALA1933           HB1      ALA1933  -6.577   4.772   6.341
  374    HB2  ALA1933           HB2      ALA1933  -5.049   4.928   5.471
  375    HB3  ALA1933           HB3      ALA1933  -6.125   6.318   5.621
  376    H    LYS1934           HN       LYS1934  -5.060   8.254   7.997
  377    HA   LYS1934           HA       LYS1934  -7.131   7.920  10.066
  378    HB2  LYS1934           HB2      LYS1934  -4.842   8.508  10.795
  379    HB3  LYS1934           HB1      LYS1934  -4.948   9.984   9.859
  380    HG2  LYS1934           HG2      LYS1934  -6.773  10.755  11.291
  381    HG3  LYS1934           HG1      LYS1934  -6.673   9.261  12.226
  382    HD2  LYS1934           HD2      LYS1934  -4.501  11.338  11.920
  383    HD3  LYS1934           HD1      LYS1934  -5.464  11.031  13.366
  384    HE2  LYS1934           HE2      LYS1934  -4.518   8.785  13.530
  385    HE3  LYS1934           HE1      LYS1934  -3.587   9.058  12.061
  386    HZ1  LYS1934           HZ1      LYS1934  -2.179   9.389  13.895
  387    HZ2  LYS1934           HZ2      LYS1934  -3.263  10.413  14.677
  388    HZ3  LYS1934           HZ3      LYS1934  -2.481  10.929  13.264
  389    H    SER1935           HN       SER1935  -6.347   9.541   7.125
  390    HA   SER1935           HA       SER1935  -7.909  11.856   7.525
  391    HB2  SER1935           HB2      SER1935  -7.072  10.628   4.917
  392    HB3  SER1935           HB1      SER1935  -7.508  12.312   5.219
  393    HG   SER1935           HG       SER1935  -5.233  11.686   5.150
  394    H    SER1936           HN       SER1936  -8.633   9.566   4.865
  395    HA   SER1936           HA       SER1936 -11.415  10.211   5.192
  396    HB2  SER1936           HB2      SER1936 -10.047   8.393   3.193
  397    HB3  SER1936           HB1      SER1936 -11.725   8.939   3.113
  398    HG   SER1936           HG       SER1936  -9.355  10.332   2.585
  399    H    CYS1937           HN       CYS1937  -9.290   7.680   6.083
  400    HA   CYS1937           HA       CYS1937 -11.448   5.815   6.561
  401    HB2  CYS1937           HB2      CYS1937  -8.506   5.506   7.206
  402    HB3  CYS1937           HB1      CYS1937  -9.709   4.228   7.061
  403    H    ALA1938           HN       ALA1938 -11.346   4.804   8.948
  404    HA   ALA1938           HA       ALA1938 -11.288   7.073  10.708
  405    HB1  ALA1938           HB1      ALA1938 -12.029   4.241  11.348
  406    HB2  ALA1938           HB2      ALA1938 -13.175   5.498  10.853
  407    HB3  ALA1938           HB3      ALA1938 -12.274   5.638  12.369
  408    H    ASN1939           HN       ASN1939 -10.278   3.797  11.561
  409    HA   ASN1939           HA       ASN1939  -8.031   5.045  12.762
  410    HB2  ASN1939           HB2      ASN1939  -9.589   4.730  14.492
  411    HB3  ASN1939           HB1      ASN1939  -9.924   3.081  13.986
  412   HD21  ASN1939          HD21      ASN1939  -8.675   1.478  14.702
  413   HD22  ASN1939          HD22      ASN1939  -7.366   1.689  15.809
  414    H    GLY1940           HN       GLY1940  -9.286   1.773  12.107
  415    HA2  GLY1940           HA2      GLY1940  -6.501   0.878  11.970
  416    HA3  GLY1940           HA1      GLY1940  -7.885  -0.138  12.323
  417    H    ALA1941           HN       ALA1941  -8.473   1.939   9.788
  418    HA   ALA1941           HA       ALA1941  -8.263  -0.265   7.897
  419    HB1  ALA1941           HB1      ALA1941  -9.406   2.511   7.559
  420    HB2  ALA1941           HB2      ALA1941 -10.324   1.045   7.917
  421    HB3  ALA1941           HB3      ALA1941  -9.498   1.213   6.369
  422    H    ALA1942           HN       ALA1942  -7.014  -0.165   5.980
  423    HA   ALA1942           HA       ALA1942  -4.904   1.871   6.093
  424    HB1  ALA1942           HB1      ALA1942  -4.715  -0.927   4.987
  425    HB2  ALA1942           HB2      ALA1942  -4.066  -0.395   6.537
  426    HB3  ALA1942           HB3      ALA1942  -3.414   0.262   5.035
  427    H    VAL1943           HN       VAL1943  -6.742  -0.202   3.858
  428    HA   VAL1943           HA       VAL1943  -6.230   1.821   1.775
  429    HB   VAL1943           HB       VAL1943  -7.090  -1.055   1.417
  430   HG11  VAL1943          HG11      VAL1943  -6.123   0.964  -0.601
  431   HG12  VAL1943          HG12      VAL1943  -7.771   0.360  -0.430
  432   HG13  VAL1943          HG13      VAL1943  -6.482  -0.730  -0.936
  433   HG21  VAL1943          HG21      VAL1943  -4.799  -1.505   0.665
  434   HG22  VAL1943          HG22      VAL1943  -4.854  -0.993   2.352
  435   HG23  VAL1943          HG23      VAL1943  -4.342   0.140   1.102
  436    H    CYS1944           HN       CYS1944  -7.933   3.116   1.533
  437    HA   CYS1944           HA       CYS1944 -10.602   1.904   1.675
  438    HB2  CYS1944           HB2      CYS1944  -9.850   4.737   2.372
  439    HB3  CYS1944           HB1      CYS1944 -11.443   4.010   2.492
  440    H    ILE1945           HN       ILE1945 -11.261   1.764  -0.384
  441    HA   ILE1945           HA       ILE1945 -10.569   3.802  -2.319
  442    HB   ILE1945           HB       ILE1945 -12.790   1.718  -2.595
  443   HG12  ILE1945          HG12      ILE1945 -10.731   0.523  -1.942
  444   HG13  ILE1945          HG11      ILE1945 -11.174   0.175  -3.607
  445   HG21  ILE1945          HG21      ILE1945 -12.710   3.470  -4.296
  446   HG22  ILE1945          HG22      ILE1945 -12.282   1.906  -4.989
  447   HG23  ILE1945          HG23      ILE1945 -11.020   3.084  -4.623
  448   HD11  ILE1945          HD11      ILE1945  -9.436   1.728  -4.375
  449   HD12  ILE1945          HD12      ILE1945  -8.767   0.451  -3.358
  450   HD13  ILE1945          HD13      ILE1945  -9.011   2.067  -2.699
  451    H    THR1946           HN       THR1946 -11.411   5.721  -1.747
  452    HA   THR1946           HA       THR1946 -13.917   5.747  -0.261
  453    HB   THR1946           HB       THR1946 -11.816   7.903  -0.481
  454    HG1  THR1946           HG1      THR1946 -11.019   5.900   0.390
  455   HG21  THR1946          HG21      THR1946 -12.800   8.684   1.629
  456   HG22  THR1946          HG22      THR1946 -13.941   7.355   1.603
  457   HG23  THR1946          HG23      THR1946 -14.047   8.627   0.376
  458    H    ASP1947           HN       ASP1947 -15.600   6.098  -1.528
  459    HA   ASP1947           HA       ASP1947 -15.388   8.031  -3.679
  460    HB2  ASP1947           HB2      ASP1947 -17.724   7.278  -4.296
  461    HB3  ASP1947           HB1      ASP1947 -16.479   6.051  -4.464
  462    H    GLY1948           HN       GLY1948 -15.453   9.912  -2.939
  463    HA2  GLY1948           HA2      GLY1948 -16.339  11.851  -2.037
  464    HA3  GLY1948           HA1      GLY1948 -17.842  10.965  -1.748
  465    HA   PRO1949           HA       PRO1949 -16.254  10.997   2.441
  466    HB2  PRO1949           HB2      PRO1949 -18.718  10.807   3.628
  467    HB3  PRO1949           HB1      PRO1949 -17.981  12.324   3.111
  468    HG2  PRO1949           HG2      PRO1949 -20.285  10.957   2.003
  469    HG3  PRO1949           HG1      PRO1949 -19.663  12.568   1.624
  470    HD2  PRO1949           HD2      PRO1949 -19.328  10.067   0.155
  471    HD3  PRO1949           HD1      PRO1949 -18.977  11.724  -0.368
  472    H    LYS1950           HN       LYS1950 -17.869   8.584   0.681
  473    HA   LYS1950           HA       LYS1950 -18.078   6.742   2.921
  474    HB2  LYS1950           HB2      LYS1950 -19.951   6.757   1.348
  475    HB3  LYS1950           HB1      LYS1950 -18.852   6.364   0.021
  476    HG2  LYS1950           HG2      LYS1950 -18.245   4.282   1.199
  477    HG3  LYS1950           HG1      LYS1950 -19.454   4.659   2.418
  478    HD2  LYS1950           HD2      LYS1950 -21.192   4.529   0.731
  479    HD3  LYS1950           HD1      LYS1950 -19.970   4.196  -0.508
  480    HE2  LYS1950           HE2      LYS1950 -20.530   2.510   1.928
  481    HE3  LYS1950           HE1      LYS1950 -21.015   2.128   0.278
  482    HZ1  LYS1950           HZ1      LYS1950 -18.173   2.403   1.174
  483    HZ2  LYS1950           HZ2      LYS1950 -18.724   1.890  -0.356
  484    HZ3  LYS1950           HZ3      LYS1950 -18.992   0.946   0.983
  485    H    THR1951           HN       THR1951 -16.634   5.220   3.309
  486    HA   THR1951           HA       THR1951 -14.428   4.938   1.436
  487    HB   THR1951           HB       THR1951 -13.372   3.678   3.315
  488    HG1  THR1951           HG1      THR1951 -15.012   4.609   5.252
  489   HG21  THR1951          HG21      THR1951 -12.974   5.644   4.724
  490   HG22  THR1951          HG22      THR1951 -14.368   6.445   3.996
  491   HG23  THR1951          HG23      THR1951 -12.952   6.076   3.014
  492    H    LEU1952           HN       LEU1952 -13.784   2.938   0.696
  493    HA   LEU1952           HA       LEU1952 -15.445   0.610   1.308
  494    HB2  LEU1952           HB2      LEU1952 -15.737   1.344  -1.045
  495    HB3  LEU1952           HB1      LEU1952 -14.002   1.327  -1.267
  496    HG   LEU1952           HG       LEU1952 -14.028  -1.139  -0.933
  497   HD11  LEU1952          HD11      LEU1952 -17.015  -0.785  -0.995
  498   HD12  LEU1952          HD12      LEU1952 -16.054  -1.329   0.381
  499   HD13  LEU1952          HD13      LEU1952 -16.161  -2.325  -1.071
  500   HD21  LEU1952          HD21      LEU1952 -14.987  -1.658  -3.124
  501   HD22  LEU1952          HD22      LEU1952 -14.028  -0.179  -3.164
  502   HD23  LEU1952          HD23      LEU1952 -15.788  -0.084  -3.142
  503    H    ASN1953           HN       ASN1953 -14.157  -0.175   2.905
  504    HA   ASN1953           HA       ASN1953 -11.308   0.051   2.755
  505    HB2  ASN1953           HB2      ASN1953 -12.442   0.171   4.949
  506    HB3  ASN1953           HB1      ASN1953 -13.000  -1.488   4.748
  507   HD21  ASN1953          HD21      ASN1953 -11.901  -2.100   6.678
  508   HD22  ASN1953          HD22      ASN1953 -10.194  -2.314   6.667
  509    H    ALA1954           HN       ALA1954 -10.065  -1.184   1.684
  510    HA   ALA1954           HA       ALA1954 -11.027  -3.789   0.771
  511    HB1  ALA1954           HB1      ALA1954  -9.179  -3.702  -0.825
  512    HB2  ALA1954           HB2      ALA1954  -8.604  -2.207  -0.086
  513    HB3  ALA1954           HB3      ALA1954 -10.160  -2.238  -0.916
  514    H    GLY1955           HN       GLY1955  -8.865  -2.374   3.031
  515    HA2  GLY1955           HA2      GLY1955  -8.125  -4.893   4.058
  516    HA3  GLY1955           HA1      GLY1955  -6.796  -4.154   3.172
  517    H    LYS1956           HN       LYS1956  -7.652  -4.676   6.094
  518    HA   LYS1956           HA       LYS1956  -7.560  -2.034   7.213
  519    HB2  LYS1956           HB2      LYS1956  -7.808  -3.128   9.323
  520    HB3  LYS1956           HB1      LYS1956  -8.881  -3.917   8.183
  521    HG2  LYS1956           HG2      LYS1956  -6.878  -5.578   7.914
  522    HG3  LYS1956           HG1      LYS1956  -6.419  -4.953   9.499
  523    HD2  LYS1956           HD2      LYS1956  -8.985  -6.325   8.706
  524    HD3  LYS1956           HD1      LYS1956  -7.771  -6.892   9.848
  525    HE2  LYS1956           HE2      LYS1956  -8.368  -5.197  11.421
  526    HE3  LYS1956           HE1      LYS1956  -9.399  -4.390  10.238
  527    HZ1  LYS1956           HZ1      LYS1956 -10.800  -5.628  11.663
  528    HZ2  LYS1956           HZ2      LYS1956  -9.864  -7.021  11.534
  529    HZ3  LYS1956           HZ3      LYS1956 -10.739  -6.491  10.199
  530    H    LEU1957           HN       LEU1957  -5.919  -1.616   8.949
  531    HA   LEU1957           HA       LEU1957  -3.414  -1.743   7.651
  532    HB2  LEU1957           HB2      LEU1957  -4.190   0.284   8.782
  533    HB3  LEU1957           HB1      LEU1957  -4.176  -0.544  10.316
  534    HG   LEU1957           HG       LEU1957  -2.285   1.098   9.855
  535   HD11  LEU1957          HD11      LEU1957  -0.559  -0.251  10.916
  536   HD12  LEU1957          HD12      LEU1957  -1.494  -1.707  10.586
  537   HD13  LEU1957          HD13      LEU1957  -2.129  -0.479  11.685
  538   HD21  LEU1957          HD21      LEU1957  -1.327  -1.134   8.071
  539   HD22  LEU1957          HD22      LEU1957  -0.380   0.274   8.553
  540   HD23  LEU1957          HD23      LEU1957  -1.821   0.479   7.555
  541    H    SER1958           HN       SER1958  -2.150  -3.294   7.704
  542    HA   SER1958           HA       SER1958  -1.587  -4.724  10.185
  543    HB2  SER1958           HB2      SER1958  -2.523  -6.103   8.221
  544    HB3  SER1958           HB1      SER1958  -1.090  -5.634   7.310
  545    HG   SER1958           HG       SER1958  -0.921  -6.868   9.834
  546    H    LYS1959           HN       LYS1959   0.226  -3.740  10.984
  547    HA   LYS1959           HA       LYS1959   1.823  -2.079   9.226
  548    HB2  LYS1959           HB2      LYS1959   0.887  -1.430  11.467
  549    HB3  LYS1959           HB1      LYS1959   2.101  -2.451  12.201
  550    HG2  LYS1959           HG2      LYS1959   3.875  -1.099  11.392
  551    HG3  LYS1959           HG1      LYS1959   2.793  -0.167  10.367
  552    HD2  LYS1959           HD2      LYS1959   2.671  -0.219  13.402
  553    HD3  LYS1959           HD1      LYS1959   3.416   1.066  12.451
  554    HE2  LYS1959           HE2      LYS1959   1.230   1.560  11.412
  555    HE3  LYS1959           HE1      LYS1959   0.478   0.276  12.339
  556    HZ1  LYS1959           HZ1      LYS1959   1.680   2.752  13.453
  557    HZ2  LYS1959           HZ2      LYS1959   1.060   1.480  14.364
  558    HZ3  LYS1959           HZ3      LYS1959   0.039   2.360  13.351
  559    H    THR1960           HN       THR1960   2.173  -4.584   8.552
  560    HA   THR1960           HA       THR1960   4.855  -5.276   9.449
  561    HB   THR1960           HB       THR1960   3.101  -7.037   9.899
  562    HG1  THR1960           HG1      THR1960   5.137  -7.755   9.593
  563   HG21  THR1960          HG21      THR1960   2.859  -7.132   6.881
  564   HG22  THR1960          HG22      THR1960   1.605  -6.604   8.006
  565   HG23  THR1960          HG23      THR1960   2.135  -8.287   8.003
  566    H    LEU1961           HN       LEU1961   6.259  -5.863   7.636
  567    HA   LEU1961           HA       LEU1961   5.320  -5.093   4.985
  568    HB2  LEU1961           HB2      LEU1961   6.533  -3.142   6.009
  569    HB3  LEU1961           HB1      LEU1961   7.931  -4.175   6.226
  570    HG   LEU1961           HG       LEU1961   8.074  -4.437   3.763
  571   HD11  LEU1961          HD11      LEU1961   5.930  -2.333   3.724
  572   HD12  LEU1961          HD12      LEU1961   5.772  -4.003   3.180
  573   HD13  LEU1961          HD13      LEU1961   6.848  -2.893   2.329
  574   HD21  LEU1961          HD21      LEU1961   8.871  -2.145   3.297
  575   HD22  LEU1961          HD22      LEU1961   9.491  -2.839   4.780
  576   HD23  LEU1961          HD23      LEU1961   8.193  -1.627   4.845
  577    H    THR1962           HN       THR1962   6.375  -6.409   3.338
  578    HA   THR1962           HA       THR1962   8.428  -8.114   4.340
  579    HB   THR1962           HB       THR1962   6.584  -9.332   5.125
  580    HG1  THR1962           HG1      THR1962   7.441 -11.014   4.536
  581   HG21  THR1962          HG21      THR1962   4.704 -10.094   3.698
  582   HG22  THR1962          HG22      THR1962   5.327  -9.050   2.401
  583   HG23  THR1962          HG23      THR1962   4.821  -8.354   3.955
  584    H    TYR1963           HN       TYR1963   8.814  -9.866   2.470
  585    HA   TYR1963           HA       TYR1963   8.951  -8.452  -0.079
  586    HB2  TYR1963           HB2      TYR1963  11.374  -9.026  -0.267
  587    HB3  TYR1963           HB1      TYR1963  11.071  -7.884   1.039
  588    HD1  TYR1963           HD1      TYR1963  12.086 -11.331   0.221
  589    HD2  TYR1963           HD2      TYR1963  11.331  -8.561   3.353
  590    HE1  TYR1963           HE1      TYR1963  13.150 -12.854   1.826
  591    HE2  TYR1963           HE2      TYR1963  12.397 -10.069   4.952
  592    HH   TYR1963           HH       TYR1963  12.742 -12.492   5.116
  593    H    GLU1964           HN       GLU1964   9.271  -9.884  -1.804
  594    HA   GLU1964           HA       GLU1964   9.643 -12.695  -1.353
  595    HB2  GLU1964           HB2      GLU1964   7.188 -12.407  -1.007
  596    HB3  GLU1964           HB1      GLU1964   7.070 -11.613  -2.567
  597    HG2  GLU1964           HG2      GLU1964   7.737 -13.685  -3.672
  598    HG3  GLU1964           HG1      GLU1964   7.867 -14.477  -2.101
  599    H    ASP1965           HN       ASP1965  11.031 -13.200  -2.948
  600    HA   ASP1965           HA       ASP1965  12.134 -13.224  -4.980
  601    HB2  ASP1965           HB2      ASP1965   9.669 -11.740  -5.953
  602    HB3  ASP1965           HB1      ASP1965  11.022 -12.105  -7.008
  603    H    GLN1966           HN       GLN1966  12.415 -11.169  -2.981
  604    HA   GLN1966           HA       GLN1966  13.519  -9.334  -2.503
  605    HB2  GLN1966           HB2      GLN1966  14.552  -9.490  -5.336
  606    HB3  GLN1966           HB1      GLN1966  15.049  -8.229  -4.219
  607    HG2  GLN1966           HG2      GLN1966  15.819 -10.035  -2.665
  608    HG3  GLN1966           HG1      GLN1966  15.490 -11.191  -3.952
  609   HE21  GLN1966          HE21      GLN1966  16.845 -11.242  -5.729
  610   HE22  GLN1966          HE22      GLN1966  18.357 -10.418  -5.785
  611    H    VAL1967           HN       VAL1967  11.061  -9.161  -4.763
  612    HA   VAL1967           HA       VAL1967  10.989  -6.284  -4.724
  613    HB   VAL1967           HB       VAL1967  10.069  -7.407  -6.737
  614   HG11  VAL1967          HG11      VAL1967   9.298  -9.466  -5.799
  615   HG12  VAL1967          HG12      VAL1967   8.011  -8.682  -6.714
  616   HG13  VAL1967          HG13      VAL1967   8.003  -8.625  -4.950
  617   HG21  VAL1967          HG21      VAL1967   9.097  -5.270  -6.209
  618   HG22  VAL1967          HG22      VAL1967   7.884  -6.045  -5.190
  619   HG23  VAL1967          HG23      VAL1967   7.888  -6.331  -6.932
  620    H    LEU1968           HN       LEU1968   9.452  -5.031  -3.553
  621    HA   LEU1968           HA       LEU1968   9.091  -6.191  -0.932
  622    HB2  LEU1968           HB2      LEU1968  10.047  -3.915  -1.369
  623    HB3  LEU1968           HB1      LEU1968   8.468  -3.417  -1.934
  624    HG   LEU1968           HG       LEU1968   7.552  -3.820   0.320
  625   HD11  LEU1968          HD11      LEU1968   9.121  -4.207   2.164
  626   HD12  LEU1968          HD12      LEU1968  10.436  -4.378   1.001
  627   HD13  LEU1968          HD13      LEU1968   9.118  -5.552   1.023
  628   HD21  LEU1968          HD21      LEU1968   8.365  -1.607  -0.309
  629   HD22  LEU1968          HD22      LEU1968   9.983  -2.060   0.233
  630   HD23  LEU1968          HD23      LEU1968   8.666  -1.935   1.403
  631    H    LYS1969           HN       LYS1969   7.109  -6.702  -0.027
  632    HA   LYS1969           HA       LYS1969   4.799  -6.125  -1.681
  633    HB2  LYS1969           HB2      LYS1969   5.503  -8.875  -0.687
  634    HB3  LYS1969           HB1      LYS1969   3.937  -8.432  -1.338
  635    HG2  LYS1969           HG2      LYS1969   5.115  -7.768  -3.461
  636    HG3  LYS1969           HG1      LYS1969   6.573  -8.495  -2.786
  637    HD2  LYS1969           HD2      LYS1969   5.383 -10.636  -2.578
  638    HD3  LYS1969           HD1      LYS1969   3.949  -9.895  -3.294
  639    HE2  LYS1969           HE2      LYS1969   5.294  -9.375  -5.315
  640    HE3  LYS1969           HE1      LYS1969   6.643 -10.249  -4.595
  641    HZ1  LYS1969           HZ1      LYS1969   5.127 -12.217  -4.499
  642    HZ2  LYS1969           HZ2      LYS1969   5.587 -11.737  -6.027
  643    HZ3  LYS1969           HZ3      LYS1969   4.028 -11.357  -5.465
  644    H    LEU1970           HN       LEU1970   2.914  -6.017  -0.767
  645    HA   LEU1970           HA       LEU1970   2.555  -6.558   2.053
  646    HB2  LEU1970           HB2      LEU1970   2.021  -3.933   0.706
  647    HB3  LEU1970           HB1      LEU1970   1.137  -4.431   2.132
  648    HG   LEU1970           HG       LEU1970   4.105  -3.999   1.948
  649   HD11  LEU1970          HD11      LEU1970   2.790  -1.942   1.954
  650   HD12  LEU1970          HD12      LEU1970   3.648  -2.160   3.480
  651   HD13  LEU1970          HD13      LEU1970   1.920  -2.499   3.382
  652   HD21  LEU1970          HD21      LEU1970   3.613  -5.815   3.446
  653   HD22  LEU1970          HD22      LEU1970   2.339  -4.868   4.210
  654   HD23  LEU1970          HD23      LEU1970   4.022  -4.372   4.369
  655    H    VAL1971           HN       VAL1971   0.563  -7.145   2.591
  656    HA   VAL1971           HA       VAL1971  -1.449  -7.138   0.522
  657    HB   VAL1971           HB       VAL1971  -2.232  -9.422   1.392
  658   HG11  VAL1971          HG11      VAL1971  -1.124  -9.203  -0.761
  659   HG12  VAL1971          HG12      VAL1971  -0.640 -10.698   0.040
  660   HG13  VAL1971          HG13      VAL1971   0.453  -9.312   0.024
  661   HG21  VAL1971          HG21      VAL1971   0.565  -9.504   2.548
  662   HG22  VAL1971          HG22      VAL1971  -0.546 -10.871   2.453
  663   HG23  VAL1971          HG23      VAL1971  -0.937  -9.488   3.474
  664    H    TYR1972           HN       TYR1972  -2.667  -5.549   1.369
  665    HA   TYR1972           HA       TYR1972  -3.323  -5.790   4.182
  666    HB2  TYR1972           HB2      TYR1972  -4.007  -3.591   2.188
  667    HB3  TYR1972           HB1      TYR1972  -4.683  -3.649   3.811
  668    HD1  TYR1972           HD2      TYR1972  -2.863  -3.828   5.761
  669    HD2  TYR1972           HD1      TYR1972  -2.077  -2.421   1.830
  670    HE1  TYR1972           HE2      TYR1972  -0.857  -2.648   6.584
  671    HE2  TYR1972           HE1      TYR1972  -0.088  -1.250   2.636
  672    HH   TYR1972           HH       TYR1972   0.735  -0.305   4.727
  673    H    GLU1973           HN       GLU1973  -5.030  -6.758   4.922
  674    HA   GLU1973           HA       GLU1973  -7.096  -7.523   3.001
  675    HB2  GLU1973           HB2      GLU1973  -7.098  -9.770   4.118
  676    HB3  GLU1973           HB1      GLU1973  -5.687  -9.406   3.132
  677    HG2  GLU1973           HG2      GLU1973  -4.401  -8.889   5.128
  678    HG3  GLU1973           HG1      GLU1973  -5.820  -9.185   6.129
  679    H    ASP1974           HN       ASP1974  -8.919  -8.634   4.205
  680    HA   ASP1974           HA       ASP1974 -10.788  -8.371   5.384
  681    HB2  ASP1974           HB2      ASP1974  -9.439  -9.362   7.209
  682    HB3  ASP1974           HB1      ASP1974  -9.000  -7.744   7.745
  683    H    GLY1975           HN       GLY1975 -11.979  -6.864   4.713
  684    HA2  GLY1975           HA2      GLY1975 -11.848  -4.287   6.027
  685    HA3  GLY1975           HA1      GLY1975 -11.742  -4.307   4.266
  686    H    ASP1976           HN       ASP1976 -13.580  -3.931   3.355
  687    HA   ASP1976           HA       ASP1976 -16.060  -4.564   4.713
  688    HB2  ASP1976           HB2      ASP1976 -15.929  -2.407   3.602
  689    HB3  ASP1976           HB1      ASP1976 -15.484  -3.175   2.085
  690    HA   PRO1977           HA       PRO1977 -15.960  -8.534   2.658
  691    HB2  PRO1977           HB2      PRO1977 -18.488  -8.991   4.068
  692    HB3  PRO1977           HB1      PRO1977 -16.948  -9.836   4.244
  693    HG2  PRO1977           HG2      PRO1977 -17.894  -8.220   6.169
  694    HG3  PRO1977           HG1      PRO1977 -16.158  -8.361   5.826
  695    HD2  PRO1977           HD2      PRO1977 -18.089  -6.235   4.967
  696    HD3  PRO1977           HD1      PRO1977 -16.445  -6.062   5.624
  697    H    CYS1978           HN       CYS1978 -17.179  -9.541   1.036
  698    HA   CYS1978           HA       CYS1978 -19.507  -8.082   0.098
  699    HB2  CYS1978           HB2      CYS1978 -18.482  -8.350  -2.226
  700    HB3  CYS1978           HB1      CYS1978 -17.752  -7.131  -1.188
  701    HA   PRO1979           HA       PRO1979 -21.139 -12.202  -0.331
  702    HB2  PRO1979           HB2      PRO1979 -22.632 -11.296  -2.715
  703    HB3  PRO1979           HB1      PRO1979 -23.242 -11.861  -1.154
  704    HG2  PRO1979           HG2      PRO1979 -23.409  -9.285  -1.858
  705    HG3  PRO1979           HG1      PRO1979 -23.077  -9.770  -0.185
  706    HD2  PRO1979           HD2      PRO1979 -21.167  -8.806  -2.288
  707    HD3  PRO1979           HD1      PRO1979 -21.273  -8.352  -0.576
  708    H    THR1980           HN       THR1980 -19.367 -10.696  -2.851
  709    HA   THR1980           HA       THR1980 -19.337 -12.797  -4.691
  710    HB   THR1980           HB       THR1980 -17.301 -11.037  -5.107
  711    HG1  THR1980           HG1      THR1980 -18.347  -8.972  -4.513
  712   HG21  THR1980          HG21      THR1980 -20.224 -10.683  -5.821
  713   HG22  THR1980          HG22      THR1980 -19.070 -11.670  -6.719
  714   HG23  THR1980          HG23      THR1980 -18.866  -9.920  -6.649
  715    H    ASP1981           HN       ASP1981 -17.322 -11.498  -2.081
  716    HA   ASP1981           HA       ASP1981 -15.664 -13.900  -2.201
  717    HB2  ASP1981           HB2      ASP1981 -14.419 -11.945  -3.155
  718    HB3  ASP1981           HB1      ASP1981 -14.649 -11.095  -1.635
  719    H    LEU1982           HN       LEU1982 -17.372 -14.418  -0.738
  720    HA   LEU1982           HA       LEU1982 -17.130 -13.229   1.902
  721    HB2  LEU1982           HB2      LEU1982 -19.213 -14.197   2.509
  722    HB3  LEU1982           HB1      LEU1982 -19.418 -13.472   0.936
  723    HG   LEU1982           HG       LEU1982 -19.043 -16.429   1.380
  724   HD11  LEU1982          HD11      LEU1982 -21.601 -14.863   1.070
  725   HD12  LEU1982          HD12      LEU1982 -21.049 -15.689   2.530
  726   HD13  LEU1982          HD13      LEU1982 -21.484 -16.622   1.098
  727   HD21  LEU1982          HD21      LEU1982 -20.287 -16.548  -0.831
  728   HD22  LEU1982          HD22      LEU1982 -18.633 -16.059  -0.902
  729   HD23  LEU1982          HD23      LEU1982 -19.925 -14.833  -1.034
  730    H    LYS1983           HN       LYS1983 -16.554 -16.150   0.133
  731    HA   LYS1983           HA       LYS1983 -15.733 -17.481   2.617
  732    HB2  LYS1983           HB2      LYS1983 -16.951 -18.636   0.123
  733    HB3  LYS1983           HB1      LYS1983 -16.164 -19.613   1.348
  734    HG2  LYS1983           HG2      LYS1983 -18.588 -17.871   1.764
  735    HG3  LYS1983           HG1      LYS1983 -18.581 -19.629   1.615
  736    HD2  LYS1983           HD2      LYS1983 -17.300 -17.995   3.816
  737    HD3  LYS1983           HD1      LYS1983 -18.745 -18.993   3.955
  738    HE2  LYS1983           HE2      LYS1983 -15.962 -19.995   3.322
  739    HE3  LYS1983           HE1      LYS1983 -16.744 -20.091   4.896
  740    HZ1  LYS1983           HZ1      LYS1983 -16.828 -22.156   3.661
  741    HZ2  LYS1983           HZ2      LYS1983 -17.683 -21.457   2.412
  742    HZ3  LYS1983           HZ3      LYS1983 -18.387 -21.611   3.951
  743    H    MET1984           HN       MET1984 -14.190 -15.761   0.629
  744    HA   MET1984           HA       MET1984 -12.063 -17.630   0.314
  745    HB2  MET1984           HB2      MET1984 -12.953 -15.496  -1.676
  746    HB3  MET1984           HB1      MET1984 -11.474 -16.420  -1.819
  747    HG2  MET1984           HG2      MET1984 -12.821 -18.475  -2.022
  748    HG3  MET1984           HG1      MET1984 -14.270 -17.470  -2.035
  749    HE1  MET1984           HE1      MET1984 -13.719 -15.360  -5.327
  750    HE2  MET1984           HE2      MET1984 -13.225 -14.915  -3.694
  751    HE3  MET1984           HE3      MET1984 -14.799 -15.663  -3.964
  752    H    LYS1985           HN       LYS1985 -10.394 -15.545  -0.488
  753    HA   LYS1985           HA       LYS1985 -10.522 -13.742   1.810
  754    HB2  LYS1985           HB2      LYS1985  -8.060 -14.048   2.150
  755    HB3  LYS1985           HB1      LYS1985  -9.028 -15.465   2.527
  756    HG2  LYS1985           HG2      LYS1985  -8.415 -16.457   0.384
  757    HG3  LYS1985           HG1      LYS1985  -7.456 -15.028  -0.003
  758    HD2  LYS1985           HD2      LYS1985  -6.001 -15.480   1.888
  759    HD3  LYS1985           HD1      LYS1985  -6.996 -16.870   2.334
  760    HE2  LYS1985           HE2      LYS1985  -5.459 -16.541  -0.236
  761    HE3  LYS1985           HE1      LYS1985  -4.991 -17.560   1.123
  762    HZ1  LYS1985           HZ1      LYS1985  -7.449 -17.914  -0.541
  763    HZ2  LYS1985           HZ2      LYS1985  -7.022 -18.851   0.779
  764    HZ3  LYS1985           HZ3      LYS1985  -6.041 -18.843  -0.612
  765    H    HIS1986           HN       HIS1986 -10.502 -11.754   1.101
  766    HA   HIS1986           HA       HIS1986  -9.012 -11.246  -1.353
  767    HB2  HIS1986           HB2      HIS1986 -10.258  -9.096  -1.593
  768    HB3  HIS1986           HB1      HIS1986 -11.239 -10.536  -1.715
  769    HD1  HIS1986           HD1      HIS1986 -13.094 -10.808  -0.094
  770    HD2  HIS1986           HD2      HIS1986 -10.733  -7.524   0.776
  771    HE1  HIS1986           HE1      HIS1986 -14.462  -9.401   1.468
  772    HE2  HIS1986           HE2      HIS1986 -12.792  -7.827   2.343
  773    H    LYS1987           HN       LYS1987  -7.388  -9.992  -1.537
  774    HA   LYS1987           HA       LYS1987  -6.438  -8.546   0.843
  775    HB2  LYS1987           HB2      LYS1987  -4.833 -10.183  -1.141
  776    HB3  LYS1987           HB1      LYS1987  -4.175  -9.257   0.193
  777    HG2  LYS1987           HG2      LYS1987  -5.005 -10.781   1.790
  778    HG3  LYS1987           HG1      LYS1987  -6.074 -11.555   0.609
  779    HD2  LYS1987           HD2      LYS1987  -4.092 -12.321  -0.646
  780    HD3  LYS1987           HD1      LYS1987  -3.053 -11.599   0.579
  781    HE2  LYS1987           HE2      LYS1987  -5.121 -13.659   1.283
  782    HE3  LYS1987           HE1      LYS1987  -3.533 -14.124   0.692
  783    HZ1  LYS1987           HZ1      LYS1987  -3.967 -12.432   3.121
  784    HZ2  LYS1987           HZ2      LYS1987  -2.511 -13.111   2.553
  785    HZ3  LYS1987           HZ3      LYS1987  -3.732 -14.099   3.112
  786    H    SER1988           HN       SER1988  -5.070  -6.747   0.221
  787    HA   SER1988           HA       SER1988  -5.308  -6.033  -2.582
  788    HB2  SER1988           HB2      SER1988  -4.801  -3.691  -1.767
  789    HB3  SER1988           HB1      SER1988  -6.341  -4.355  -1.208
  790    HG   SER1988           HG       SER1988  -5.417  -4.781   0.770
  791    H    TYR1989           HN       TYR1989  -3.601  -6.419  -3.718
  792    HA   TYR1989           HA       TYR1989  -1.108  -7.088  -2.439
  793    HB2  TYR1989           HB2      TYR1989  -2.044  -7.258  -5.291
  794    HB3  TYR1989           HB1      TYR1989  -0.390  -7.596  -4.806
  795    HD1  TYR1989           HD1      TYR1989   0.014  -9.455  -3.167
  796    HD2  TYR1989           HD2      TYR1989  -3.713  -8.901  -5.125
  797    HE1  TYR1989           HE1      TYR1989  -0.561 -11.792  -2.701
  798    HE2  TYR1989           HE2      TYR1989  -4.308 -11.242  -4.656
  799    HH   TYR1989           HH       TYR1989  -2.907 -13.362  -4.287
  800    H    PHE1990           HN       PHE1990   0.271  -5.637  -2.012
  801    HA   PHE1990           HA       PHE1990   0.636  -3.383  -3.837
  802    HB2  PHE1990           HB2      PHE1990   1.393  -3.768  -0.941
  803    HB3  PHE1990           HB1      PHE1990   1.997  -2.442  -1.921
  804    HD1  PHE1990           HD1      PHE1990  -1.019  -3.974  -0.504
  805    HD2  PHE1990           HD2      PHE1990   0.684  -0.523  -2.303
  806    HE1  PHE1990           HE1      PHE1990  -3.025  -2.694   0.069
  807    HE2  PHE1990           HE2      PHE1990  -1.323   0.767  -1.727
  808    HZ   PHE1990           HZ       PHE1990  -3.146  -0.256  -0.577
  809    H    SER1991           HN       SER1991   2.089  -3.890  -5.278
  810    HA   SER1991           HA       SER1991   4.430  -5.436  -4.447
  811    HB2  SER1991           HB2      SER1991   3.414  -4.810  -7.227
  812    HB3  SER1991           HB1      SER1991   4.729  -5.915  -6.813
  813    HG   SER1991           HG       SER1991   2.331  -6.336  -5.529
  814    H    PHE1992           HN       PHE1992   5.899  -4.045  -3.715
  815    HA   PHE1992           HA       PHE1992   6.150  -1.412  -4.900
  816    HB2  PHE1992           HB2      PHE1992   7.596  -2.640  -2.540
  817    HB3  PHE1992           HB1      PHE1992   7.680  -0.958  -3.043
  818    HD1  PHE1992           HD2      PHE1992   5.793   0.536  -2.664
  819    HD2  PHE1992           HD1      PHE1992   5.730  -3.501  -1.340
  820    HE1  PHE1992           HE2      PHE1992   3.895   1.049  -1.198
  821    HE2  PHE1992           HE1      PHE1992   3.842  -2.995   0.129
  822    HZ   PHE1992           HZ       PHE1992   2.916  -0.720   0.205
  823    H    VAL1993           HN       VAL1993   7.327  -1.290  -6.573
  824    HA   VAL1993           HA       VAL1993   9.562  -3.122  -6.968
  825    HB   VAL1993           HB       VAL1993   7.957  -3.508  -8.683
  826   HG11  VAL1993          HG11      VAL1993   7.852  -0.538  -9.145
  827   HG12  VAL1993          HG12      VAL1993   6.606  -1.539  -8.395
  828   HG13  VAL1993          HG13      VAL1993   7.015  -1.768 -10.098
  829   HG21  VAL1993          HG21      VAL1993   9.072  -2.847 -10.747
  830   HG22  VAL1993          HG22      VAL1993  10.261  -3.354  -9.533
  831   HG23  VAL1993          HG23      VAL1993   9.985  -1.634  -9.855
  832    H    CYS1994           HN       CYS1994  11.523  -2.430  -7.269
  833    HA   CYS1994           HA       CYS1994  12.656  -0.145  -6.483
  834    HB2  CYS1994           HB2      CYS1994  13.579  -1.925  -8.747
  835    HB3  CYS1994           HB1      CYS1994  14.577  -0.782  -7.879
  836    H    LYS1995           HN       LYS1995  12.003   1.865  -7.172
  837    HA   LYS1995           HA       LYS1995  12.791   2.489  -9.909
  838    HB2  LYS1995           HB2      LYS1995  10.263   2.450  -9.837
  839    HB3  LYS1995           HB1      LYS1995  10.338   3.753  -8.656
  840    HG2  LYS1995           HG2      LYS1995  11.579   5.124 -10.334
  841    HG3  LYS1995           HG1      LYS1995  11.305   3.844 -11.513
  842    HD2  LYS1995           HD2      LYS1995   8.859   4.131 -11.141
  843    HD3  LYS1995           HD1      LYS1995   9.228   5.511 -10.102
  844    HE2  LYS1995           HE2      LYS1995  10.393   6.581 -12.007
  845    HE3  LYS1995           HE1      LYS1995   9.900   5.233 -13.033
  846    HZ1  LYS1995           HZ1      LYS1995   8.373   7.026 -13.343
  847    HZ2  LYS1995           HZ2      LYS1995   8.191   7.227 -11.691
  848    HZ3  LYS1995           HZ3      LYS1995   7.547   5.847 -12.444
  849    H    SER1996           HN       SER1996  14.621   3.424  -9.342
  850    HA   SER1996           HA       SER1996  15.008   5.016  -7.029
  851    HB2  SER1996           HB2      SER1996  16.637   4.909  -9.582
  852    HB3  SER1996           HB1      SER1996  17.190   5.531  -8.027
  853    HG   SER1996           HG       SER1996  16.969   2.927  -8.903
  854    H    ASP1997           HN       ASP1997  13.884   5.666 -10.185
  855    HA   ASP1997           HA       ASP1997  14.299   8.464 -10.337
  856    HB2  ASP1997           HB2      ASP1997  13.940   7.171 -12.336
  857    HB3  ASP1997           HB1      ASP1997  12.372   6.628 -11.761
  858    H    ALA1998           HN       ALA1998  12.055   6.605  -8.545
  859    HA   ALA1998           HA       ALA1998   9.965   8.584  -8.482
  860    HB1  ALA1998           HB1      ALA1998   8.863   7.092  -6.913
  861    HB2  ALA1998           HB2      ALA1998  10.327   6.115  -6.795
  862    HB3  ALA1998           HB3      ALA1998   9.445   6.197  -8.319
  863    H    GLY1999           HN       GLY1999  12.928   8.281  -6.966
  864    HA2  GLY1999           HA2      GLY1999  13.943   9.470  -5.274
  865    HA3  GLY1999           HA1      GLY1999  12.621  10.610  -5.453
  866    H    ASP2000           HN       ASP2000  11.798  11.004  -3.596
  867    HA   ASP2000           HA       ASP2000  11.291   8.776  -1.739
  868    HB2  ASP2000           HB2      ASP2000  11.496  10.281   0.130
  869    HB3  ASP2000           HB1      ASP2000  12.908  10.526  -0.878
  870    H    ASP2001           HN       ASP2001   9.906  10.461  -3.998
  871    HA   ASP2001           HA       ASP2001   7.511  11.483  -2.805
  872    HB2  ASP2001           HB2      ASP2001   8.384  12.170  -5.094
  873    HB3  ASP2001           HB1      ASP2001   7.919  10.542  -5.615
  874    H    SER2002           HN       SER2002   8.267   8.677  -4.784
  875    HA   SER2002           HA       SER2002   7.569   6.508  -4.763
  876    HB2  SER2002           HB2      SER2002   7.993   6.769  -2.299
  877    HB3  SER2002           HB1      SER2002   6.320   7.246  -2.084
  878    HG   SER2002           HG       SER2002   5.888   5.220  -1.927
  879    H    GLN2003           HN       GLN2003   6.074   6.233  -6.459
  880    HA   GLN2003           HA       GLN2003   3.327   7.074  -5.870
  881    HB2  GLN2003           HB2      GLN2003   2.983   7.738  -8.191
  882    HB3  GLN2003           HB1      GLN2003   4.222   8.707  -7.409
  883    HG2  GLN2003           HG2      GLN2003   5.942   7.266  -8.511
  884    HG3  GLN2003           HG1      GLN2003   4.635   6.489  -9.406
  885   HE21  GLN2003          HE21      GLN2003   3.564   7.670 -11.058
  886   HE22  GLN2003          HE22      GLN2003   4.238   9.138 -11.642
  887    HA   PRO2004           HA       PRO2004   2.267   2.995  -7.170
  888    HB2  PRO2004           HB2      PRO2004  -0.387   3.345  -6.469
  889    HB3  PRO2004           HB1      PRO2004   0.916   2.873  -5.376
  890    HG2  PRO2004           HG2      PRO2004  -0.552   5.300  -5.282
  891    HG3  PRO2004           HG1      PRO2004   0.907   4.893  -4.376
  892    HD2  PRO2004           HD2      PRO2004   0.631   6.451  -6.897
  893    HD3  PRO2004           HD1      PRO2004   1.776   6.664  -5.554
  894    H    VAL2005           HN       VAL2005   1.389   1.977  -8.843
  895    HA   VAL2005           HA       VAL2005  -0.433   3.387 -10.660
  896    HB   VAL2005           HB       VAL2005   1.610   1.222 -11.307
  897   HG11  VAL2005          HG11      VAL2005  -0.203   2.775 -13.148
  898   HG12  VAL2005          HG12      VAL2005  -0.355   1.072 -12.724
  899   HG13  VAL2005          HG13      VAL2005   1.039   1.627 -13.650
  900   HG21  VAL2005          HG21      VAL2005   2.804   2.940 -12.589
  901   HG22  VAL2005          HG22      VAL2005   2.724   3.342 -10.873
  902   HG23  VAL2005          HG23      VAL2005   1.658   4.152 -12.019
  903    H    PHE2006           HN       PHE2006  -2.395   2.391 -10.594
  904    HA   PHE2006           HA       PHE2006  -2.474  -0.172  -9.248
  905    HB2  PHE2006           HB2      PHE2006  -4.875   0.014  -9.118
  906    HB3  PHE2006           HB1      PHE2006  -4.197   1.561  -8.667
  907    HD1  PHE2006           HD2      PHE2006  -4.453   3.503 -10.164
  908    HD2  PHE2006           HD1      PHE2006  -6.277  -0.233 -11.044
  909    HE1  PHE2006           HE2      PHE2006  -5.908   4.609 -11.805
  910    HE2  PHE2006           HE1      PHE2006  -7.734   0.867 -12.694
  911    HZ   PHE2006           HZ       PHE2006  -7.661   3.247 -13.002
  912    H    LEU2007           HN       LEU2007  -3.140  -2.057 -10.105
  913    HA   LEU2007           HA       LEU2007  -2.886  -2.361 -12.973
  914    HB2  LEU2007           HB2      LEU2007  -3.542  -4.264 -10.706
  915    HB3  LEU2007           HB1      LEU2007  -3.633  -4.763 -12.371
  916    HG   LEU2007           HG       LEU2007  -1.627  -5.572 -11.263
  917   HD11  LEU2007          HD11      LEU2007  -1.071  -3.589 -13.428
  918   HD12  LEU2007          HD12      LEU2007  -1.586  -5.280 -13.583
  919   HD13  LEU2007          HD13      LEU2007  -0.001  -4.905 -12.910
  920   HD21  LEU2007          HD21      LEU2007  -0.830  -2.672 -10.987
  921   HD22  LEU2007          HD22      LEU2007   0.211  -4.056 -10.660
  922   HD23  LEU2007          HD23      LEU2007  -1.221  -3.774  -9.668
  923    H    SER2008           HN       SER2008  -5.270  -3.299 -10.576
  924    HA   SER2008           HA       SER2008  -7.410  -1.912 -11.629
  925    HB2  SER2008           HB2      SER2008  -8.696  -4.057 -12.280
  926    HB3  SER2008           HB1      SER2008  -7.548  -3.404 -13.447
  927    HG   SER2008           HG       SER2008  -7.614  -5.818 -12.661
  928    H    PHE2009           HN       PHE2009  -9.255  -2.253 -10.372
  929    HA   PHE2009           HA       PHE2009  -8.803  -3.712  -7.878
  930    HB2  PHE2009           HB2      PHE2009  -9.485  -1.294  -7.742
  931    HB3  PHE2009           HB1      PHE2009 -10.942  -1.687  -8.642
  932    HD1  PHE2009           HD2      PHE2009 -12.682  -3.086  -7.595
  933    HD2  PHE2009           HD1      PHE2009  -9.317  -1.712  -5.390
  934    HE1  PHE2009           HE2      PHE2009 -13.852  -3.591  -5.505
  935    HE2  PHE2009           HE1      PHE2009 -10.481  -2.222  -3.287
  936    HZ   PHE2009           HZ       PHE2009 -12.717  -3.104  -3.305
  937    H    ASP2010           HN       ASP2010  -9.688  -5.716  -7.928
  938    HA   ASP2010           HA       ASP2010 -11.716  -6.207  -9.955
  939    HB2  ASP2010           HB2      ASP2010  -9.785  -7.769  -9.815
  940    HB3  ASP2010           HB1      ASP2010 -10.291  -8.198  -8.180
  941    H    GLU2011           HN       GLU2011 -13.702  -5.958  -9.341
  942    HA   GLU2011           HA       GLU2011 -14.292  -5.975  -6.514
  943    HB2  GLU2011           HB2      GLU2011 -16.524  -5.137  -7.235
  944    HB3  GLU2011           HB1      GLU2011 -15.168  -4.120  -7.702
  945    HG2  GLU2011           HG2      GLU2011 -15.256  -4.955  -9.948
  946    HG3  GLU2011           HG1      GLU2011 -16.514  -6.104  -9.503
  947    H    GLN2012           HN       GLN2012 -14.294  -8.251  -8.942
  948    HA   GLN2012           HA       GLN2012 -16.655  -9.642  -8.147
  949    HB2  GLN2012           HB2      GLN2012 -15.699  -9.920 -10.420
  950    HB3  GLN2012           HB1      GLN2012 -14.267 -10.656  -9.715
  951    HG2  GLN2012           HG2      GLN2012 -15.571 -12.433 -10.511
  952    HG3  GLN2012           HG1      GLN2012 -15.782 -12.431  -8.770
  953   HE21  GLN2012          HE21      GLN2012 -17.716 -10.096  -9.003
  954   HE22  GLN2012          HE22      GLN2012 -19.170 -10.825  -9.555
  955    H    THR2013           HN       THR2013 -13.179 -10.109  -7.599
  956    HA   THR2013           HA       THR2013 -13.936 -11.825  -5.348
  957    HB   THR2013           HB       THR2013 -12.391 -12.852  -7.010
  958    HG1  THR2013           HG1      THR2013 -11.931 -12.749  -4.330
  959   HG21  THR2013          HG21      THR2013 -11.174 -10.858  -7.728
  960   HG22  THR2013          HG22      THR2013 -10.053 -12.102  -7.171
  961   HG23  THR2013          HG23      THR2013 -10.431 -10.725  -6.134
  962    H    CYS2014           HN       CYS2014 -13.543  -8.742  -5.819
  963    HA   CYS2014           HA       CYS2014 -13.081  -6.904  -4.585
  964    HB2  CYS2014           HB2      CYS2014 -13.396  -8.880  -2.313
  965    HB3  CYS2014           HB1      CYS2014 -13.412  -7.128  -2.122
  966    H    THR2015           HN       THR2015 -10.828  -8.296  -5.545
  967    HA   THR2015           HA       THR2015  -8.772  -7.904  -3.477
  968    HB   THR2015           HB       THR2015  -8.792  -9.557  -6.020
  969    HG1  THR2015           HG1      THR2015  -9.970 -10.366  -4.152
  970   HG21  THR2015          HG21      THR2015  -6.601  -9.297  -3.935
  971   HG22  THR2015          HG22      THR2015  -6.517  -8.685  -5.585
  972   HG23  THR2015          HG23      THR2015  -6.593 -10.424  -5.294
  973    H    SER2016           HN       SER2016  -7.099  -6.510  -3.859
  974    HA   SER2016           HA       SER2016  -7.474  -4.715  -6.169
  975    HB2  SER2016           HB2      SER2016  -6.132  -4.109  -3.543
  976    HB3  SER2016           HB1      SER2016  -6.653  -2.967  -4.785
  977    HG   SER2016           HG       SER2016  -8.599  -4.645  -3.784
  978    H    TYR2017           HN       TYR2017  -5.647  -4.226  -7.441
  979    HA   TYR2017           HA       TYR2017  -3.110  -5.498  -6.637
  980    HB2  TYR2017           HB2      TYR2017  -4.222  -5.143  -9.430
  981    HB3  TYR2017           HB1      TYR2017  -2.632  -5.774  -9.042
  982    HD1  TYR2017           HD2      TYR2017  -2.381  -8.033  -8.148
  983    HD2  TYR2017           HD1      TYR2017  -6.207  -6.471  -9.143
  984    HE1  TYR2017           HE2      TYR2017  -3.317 -10.288  -8.043
  985    HE2  TYR2017           HE1      TYR2017  -7.167  -8.704  -9.034
  986    HH   TYR2017           HH       TYR2017  -5.461 -11.364  -7.708
  987    H    PHE2018           HN       PHE2018  -1.609  -3.939  -6.180
  988    HA   PHE2018           HA       PHE2018  -1.619  -1.501  -7.821
  989    HB2  PHE2018           HB2      PHE2018  -1.034  -1.645  -4.851
  990    HB3  PHE2018           HB1      PHE2018  -0.964  -0.205  -5.851
  991    HD1  PHE2018           HD2      PHE2018  -3.225   0.410  -7.054
  992    HD2  PHE2018           HD1      PHE2018  -2.913  -2.074  -3.618
  993    HE1  PHE2018           HE2      PHE2018  -5.583   0.872  -6.511
  994    HE2  PHE2018           HE1      PHE2018  -5.263  -1.613  -3.067
  995    HZ   PHE2018           HZ       PHE2018  -6.599  -0.137  -4.509
  996    H    SER2019           HN       SER2019   0.306  -1.110  -8.750
  997    HA   SER2019           HA       SER2019   2.671  -2.487  -7.718
  998    HB2  SER2019           HB2      SER2019   2.093  -2.960 -10.102
  999    HB3  SER2019           HB1      SER2019   2.138  -1.234 -10.443
 1000    HG   SER2019           HG       SER2019   4.262  -3.026  -9.953
 1001    H    TRP2020           HN       TRP2020   4.018  -1.200  -6.626
 1002    HA   TRP2020           HA       TRP2020   3.572   1.688  -6.886
 1003    HB2  TRP2020           HB2      TRP2020   3.006   0.434  -4.728
 1004    HB3  TRP2020           HB1      TRP2020   4.757   0.357  -4.461
 1005    HD1  TRP2020           HD1      TRP2020   5.618   3.274  -5.121
 1006    HE1  TRP2020           HE1      TRP2020   4.710   5.267  -3.782
 1007    HE3  TRP2020           HE3      TRP2020   1.483   1.066  -3.138
 1008    HZ2  TRP2020           HZ2      TRP2020   2.530   5.806  -2.081
 1009    HZ3  TRP2020           HZ3      TRP2020   0.048   2.381  -1.648
 1010    HH2  TRP2020           HH2      TRP2020   0.567   4.700  -1.125
 1011    H    HIS2021           HN       HIS2021   5.166   2.697  -7.807
 1012    HA   HIS2021           HA       HIS2021   7.770   1.424  -8.022
 1013    HB2  HIS2021           HB2      HIS2021   6.616   3.861  -9.396
 1014    HB3  HIS2021           HB1      HIS2021   8.229   3.220  -9.673
 1015    HD1  HIS2021           HD1      HIS2021   8.442   1.212 -11.258
 1016    HD2  HIS2021           HD2      HIS2021   4.506   2.266 -10.423
 1017    HE1  HIS2021           HE1      HIS2021   7.043  -0.062 -12.870
 1018    HE2  HIS2021           HE2      HIS2021   4.740   0.842 -12.560
 1019    H    THR2022           HN       THR2022   9.038   1.833  -6.363
 1020    HA   THR2022           HA       THR2022   9.453   4.566  -5.603
 1021    HB   THR2022           HB       THR2022   7.702   4.019  -4.094
 1022    HG1  THR2022           HG1      THR2022   8.574   4.715  -2.421
 1023   HG21  THR2022          HG21      THR2022   9.297   1.604  -3.254
 1024   HG22  THR2022          HG22      THR2022   7.773   1.597  -4.142
 1025   HG23  THR2022          HG23      THR2022   7.818   2.167  -2.474
 1026    H    SER2023           HN       SER2023  11.413   4.952  -4.503
 1027    HA   SER2023           HA       SER2023  13.555   3.203  -5.177
 1028    HB2  SER2023           HB2      SER2023  13.630   5.501  -3.223
 1029    HB3  SER2023           HB1      SER2023  14.932   4.894  -4.249
 1030    HG   SER2023           HG       SER2023  13.137   6.771  -4.743
 1031    H    LEU2024           HN       LEU2024  11.495   3.693  -2.455
 1032    HA   LEU2024           HA       LEU2024  13.236   2.574  -0.427
 1033    HB2  LEU2024           HB2      LEU2024  10.343   3.425  -0.388
 1034    HB3  LEU2024           HB1      LEU2024  11.183   2.790   1.003
 1035    HG   LEU2024           HG       LEU2024  12.613   4.829   1.050
 1036   HD11  LEU2024          HD11      LEU2024  12.565   5.404  -1.350
 1037   HD12  LEU2024          HD12      LEU2024  12.056   6.751  -0.331
 1038   HD13  LEU2024          HD13      LEU2024  10.853   5.805  -1.206
 1039   HD21  LEU2024          HD21      LEU2024   9.662   5.322   0.954
 1040   HD22  LEU2024          HD22      LEU2024  10.867   6.348   1.736
 1041   HD23  LEU2024          HD23      LEU2024  10.586   4.707   2.326
 1042    H    ALA2025           HN       ALA2025  11.690   1.212  -2.831
 1043    HA   ALA2025           HA       ALA2025  10.083  -0.821  -1.589
 1044    HB1  ALA2025           HB1      ALA2025   9.772  -1.635  -3.826
 1045    HB2  ALA2025           HB2      ALA2025  11.044  -0.559  -4.410
 1046    HB3  ALA2025           HB3      ALA2025   9.547   0.113  -3.769
 1047    H    CYS2026           HN       CYS2026  12.919  -1.046  -3.700
 1048    HA   CYS2026           HA       CYS2026  13.836  -3.241  -2.146
 1049    HB2  CYS2026           HB2      CYS2026  13.946  -4.710  -4.201
 1050    HB3  CYS2026           HB1      CYS2026  12.351  -4.454  -3.514
 1051    H    GLU2027           HN       GLU2027  15.813  -4.171  -3.611
 1052    HA   GLU2027           HA       GLU2027  17.286  -1.757  -4.355
 1053    HB2  GLU2027           HB2      GLU2027  18.153  -2.930  -2.337
 1054    HB3  GLU2027           HB1      GLU2027  18.423  -4.356  -3.319
 1055    HG2  GLU2027           HG2      GLU2027  20.033  -3.154  -4.685
 1056    HG3  GLU2027           HG1      GLU2027  19.733  -1.676  -3.775
 1057    H    GLU2028           HN       GLU2028  16.761  -5.200  -5.133
 1058    HA   GLU2028           HA       GLU2028  17.475  -4.538  -7.872
 1059    HB2  GLU2028           HB2      GLU2028  18.375  -6.964  -6.349
 1060    HB3  GLU2028           HB1      GLU2028  18.464  -6.813  -8.095
 1061    HG2  GLU2028           HG2      GLU2028  19.928  -4.860  -7.816
 1062    HG3  GLU2028           HG1      GLU2028  19.880  -5.117  -6.069
 1063    H    GLU2029           HN       GLU2029  15.434  -4.514  -8.662
 1064    HA   GLU2029           HA       GLU2029  14.342  -7.086  -9.211
 1065    HB2  GLU2029           HB2      GLU2029  13.191  -5.942  -7.038
 1066    HB3  GLU2029           HB1      GLU2029  12.340  -5.051  -8.283
 1067    HG2  GLU2029           HG2      GLU2029  12.367  -8.054  -7.959
 1068    HG3  GLU2029           HG1      GLU2029  11.065  -6.978  -7.485
 1069    H    VAL2030           HN       VAL2030  14.878  -6.693 -11.197
 1070    HA   VAL2030           HA       VAL2030  14.283  -4.111 -12.433
 1071    HB   VAL2030           HB       VAL2030  15.884  -6.446 -13.527
 1072   HG11  VAL2030          HG11      VAL2030  14.980  -5.009 -15.267
 1073   HG12  VAL2030          HG12      VAL2030  16.732  -4.818 -15.153
 1074   HG13  VAL2030          HG13      VAL2030  15.667  -3.590 -14.475
 1075   HG21  VAL2030          HG21      VAL2030  17.888  -5.123 -13.010
 1076   HG22  VAL2030          HG22      VAL2030  16.985  -5.534 -11.552
 1077   HG23  VAL2030          HG23      VAL2030  16.878  -3.910 -12.225
 1078    HA   PRO2031           HA       PRO2031  10.619  -6.024 -14.171
 1079    HB2  PRO2031           HB2      PRO2031  10.448  -3.386 -15.487
 1080    HB3  PRO2031           HB1      PRO2031   9.301  -4.175 -14.402
 1081    HG2  PRO2031           HG2      PRO2031  10.754  -2.060 -13.603
 1082    HG3  PRO2031           HG1      PRO2031  10.359  -3.385 -12.496
 1083    HD2  PRO2031           HD2      PRO2031  12.960  -2.837 -13.896
 1084    HD3  PRO2031           HD1      PRO2031  12.615  -3.403 -12.265
 1085    H    ARG2032           HN       ARG2032  13.226  -6.415 -15.423
 1086    HA   ARG2032           HA       ARG2032  12.452  -6.681 -18.202
 1087    HB2  ARG2032           HB2      ARG2032  14.987  -5.327 -17.254
 1088    HB3  ARG2032           HB1      ARG2032  14.758  -5.931 -18.882
 1089    HG2  ARG2032           HG2      ARG2032  12.947  -4.335 -19.226
 1090    HG3  ARG2032           HG1      ARG2032  13.141  -3.761 -17.566
 1091    HD2  ARG2032           HD2      ARG2032  14.267  -2.319 -19.218
 1092    HD3  ARG2032           HD1      ARG2032  15.376  -3.012 -18.035
 1093    HE   ARG2032           HE       ARG2032  15.122  -4.550 -20.451
 1094   HH11  ARG2032          HH11      ARG2032  16.901  -1.949 -18.834
 1095   HH12  ARG2032          HH12      ARG2032  18.265  -2.038 -19.843
 1096   HH21  ARG2032          HH21      ARG2032  17.056  -4.729 -21.828
 1097   HH22  ARG2032          HH22      ARG2032  18.344  -3.654 -21.561
  Start of MODEL    9
    1    H1   MET1885           HT1      MET1885  17.640   9.612   1.608
    2    H2   MET1885           HT2      MET1885  16.219  10.335   2.207
    3    H3   MET1885           HT3      MET1885  16.148   9.239   0.933
    4    HA   MET1885           HA       MET1885  16.706   7.463   2.146
    5    HB2  MET1885           HB2      MET1885  17.341   9.375   4.351
    6    HB3  MET1885           HB1      MET1885  16.853   7.733   4.731
    7    HG2  MET1885           HG2      MET1885  19.195   8.528   3.020
    8    HG3  MET1885           HG1      MET1885  19.272   7.983   4.696
    9    HE1  MET1885           HE1      MET1885  18.379   5.506   5.443
   10    HE2  MET1885           HE2      MET1885  17.859   4.283   4.282
   11    HE3  MET1885           HE3      MET1885  16.891   5.736   4.526
   12    H    LYS1886           HN       LYS1886  14.991   9.514   4.565
   13    HA   LYS1886           HA       LYS1886  12.556   8.162   3.757
   14    HB2  LYS1886           HB2      LYS1886  12.237   7.028   5.857
   15    HB3  LYS1886           HB1      LYS1886  13.674   6.463   5.025
   16    HG2  LYS1886           HG2      LYS1886  15.050   7.866   6.543
   17    HG3  LYS1886           HG1      LYS1886  13.576   8.304   7.411
   18    HD2  LYS1886           HD2      LYS1886  14.685   6.489   8.569
   19    HD3  LYS1886           HD1      LYS1886  13.173   5.902   7.863
   20    HE2  LYS1886           HE2      LYS1886  14.456   5.022   5.944
   21    HE3  LYS1886           HE1      LYS1886  15.944   5.544   6.727
   22    HZ1  LYS1886           HZ1      LYS1886  15.206   4.081   8.641
   23    HZ2  LYS1886           HZ2      LYS1886  15.779   3.350   7.263
   24    HZ3  LYS1886           HZ3      LYS1886  14.092   3.384   7.543
   25    H    SER1887           HN       SER1887  10.704   8.783   4.933
   26    HA   SER1887           HA       SER1887  10.845  11.465   5.903
   27    HB2  SER1887           HB2      SER1887   8.991  10.782   4.408
   28    HB3  SER1887           HB1      SER1887   8.430   9.644   5.627
   29    HG   SER1887           HG       SER1887   7.700  11.260   6.844
   30    H    ASN1888           HN       ASN1888   9.151   8.603   7.415
   31    HA   ASN1888           HA       ASN1888  10.445   9.085   9.927
   32    HB2  ASN1888           HB2      ASN1888   8.355   9.712  11.153
   33    HB3  ASN1888           HB1      ASN1888   8.944  10.971  10.077
   34   HD21  ASN1888          HD21      ASN1888   6.383   8.829  10.801
   35   HD22  ASN1888          HD22      ASN1888   5.319   9.333   9.537
   36    H    VAL1889           HN       VAL1889  10.212   7.616  11.419
   37    HA   VAL1889           HA       VAL1889   9.151   5.048  10.520
   38    HB   VAL1889           HB       VAL1889  10.582   5.681  13.059
   39   HG11  VAL1889          HG11      VAL1889  10.358   3.095  11.523
   40   HG12  VAL1889          HG12      VAL1889   9.558   3.492  13.044
   41   HG13  VAL1889          HG13      VAL1889  11.312   3.313  12.991
   42   HG21  VAL1889          HG21      VAL1889  12.028   6.489  11.304
   43   HG22  VAL1889          HG22      VAL1889  11.883   4.961  10.434
   44   HG23  VAL1889          HG23      VAL1889  12.720   5.016  11.987
   45    H    GLN1890           HN       GLN1890   7.745   3.864  11.776
   46    HA   GLN1890           HA       GLN1890   6.047   5.432  13.615
   47    HB2  GLN1890           HB2      GLN1890   5.350   2.967  11.994
   48    HB3  GLN1890           HB1      GLN1890   4.257   3.763  13.117
   49    HG2  GLN1890           HG2      GLN1890   5.415   4.979  10.619
   50    HG3  GLN1890           HG1      GLN1890   3.788   4.327  10.785
   51   HE21  GLN1890          HE21      GLN1890   4.676   7.039  10.094
   52   HE22  GLN1890          HE22      GLN1890   3.954   8.056  11.297
   53    H    ASN1891           HN       ASN1891   6.768   2.000  13.040
   54    HA   ASN1891           HA       ASN1891   8.007   1.644  15.568
   55    HB2  ASN1891           HB2      ASN1891   6.422   0.106  16.594
   56    HB3  ASN1891           HB1      ASN1891   5.648   1.654  16.327
   57   HD21  ASN1891          HD21      ASN1891   4.695  -1.142  16.662
   58   HD22  ASN1891          HD22      ASN1891   3.609  -1.459  15.360
   59    H    ASP1892           HN       ASP1892   6.307   0.057  12.931
   60    HA   ASP1892           HA       ASP1892   8.548  -1.811  12.722
   61    HB2  ASP1892           HB2      ASP1892   6.386  -2.705  13.856
   62    HB3  ASP1892           HB1      ASP1892   5.675  -2.612  12.248
   63    H    CYS1893           HN       CYS1893   7.350  -3.123  10.440
   64    HA   CYS1893           HA       CYS1893   7.436  -3.013   8.244
   65    HB2  CYS1893           HB2      CYS1893   5.526  -1.575   8.077
   66    HB3  CYS1893           HB1      CYS1893   6.446  -0.183   8.639
   67    H    ARG1894           HN       ARG1894   9.538  -3.449   8.642
   68    HA   ARG1894           HA       ARG1894  11.295  -1.999   7.036
   69    HB2  ARG1894           HB2      ARG1894  11.515  -0.554   9.012
   70    HB3  ARG1894           HB1      ARG1894  11.759  -1.956  10.038
   71    HG2  ARG1894           HG2      ARG1894  13.877  -2.414   8.943
   72    HG3  ARG1894           HG1      ARG1894  13.623  -1.044   7.860
   73    HD2  ARG1894           HD2      ARG1894  15.132  -0.527   9.757
   74    HD3  ARG1894           HD1      ARG1894  13.698   0.497   9.701
   75    HE   ARG1894           HE       ARG1894  13.070  -1.646  11.317
   76   HH11  ARG1894          HH11      ARG1894  15.638   0.777  11.422
   77   HH12  ARG1894          HH12      ARG1894  15.551   1.012  13.106
   78   HH21  ARG1894          HH21      ARG1894  12.852  -1.280  13.564
   79   HH22  ARG1894          HH22      ARG1894  13.893  -0.201  14.389
   80    H    VAL1895           HN       VAL1895  12.470  -3.607   6.163
   81    HA   VAL1895           HA       VAL1895  13.309  -5.826   7.803
   82    HB   VAL1895           HB       VAL1895  11.007  -6.395   6.917
   83   HG11  VAL1895          HG11      VAL1895  12.321  -6.423   4.228
   84   HG12  VAL1895          HG12      VAL1895  11.065  -5.316   4.790
   85   HG13  VAL1895          HG13      VAL1895  10.706  -7.031   4.599
   86   HG21  VAL1895          HG21      VAL1895  11.560  -8.672   6.167
   87   HG22  VAL1895          HG22      VAL1895  12.495  -8.182   7.583
   88   HG23  VAL1895          HG23      VAL1895  13.244  -8.183   5.984
   89    H    THR1896           HN       THR1896  14.907  -7.205   6.493
   90    HA   THR1896           HA       THR1896  16.164  -5.531   4.441
   91    HB   THR1896           HB       THR1896  17.567  -7.334   6.430
   92    HG1  THR1896           HG1      THR1896  16.422  -4.935   6.684
   93   HG21  THR1896          HG21      THR1896  19.554  -6.036   5.770
   94   HG22  THR1896          HG22      THR1896  18.570  -5.074   4.668
   95   HG23  THR1896          HG23      THR1896  18.822  -6.791   4.355
   96    H    ASN1897           HN       ASN1897  16.779  -6.627   2.608
   97    HA   ASN1897           HA       ASN1897  16.062  -9.465   2.425
   98    HB2  ASN1897           HB2      ASN1897  15.187  -8.041   0.637
   99    HB3  ASN1897           HB1      ASN1897  16.800  -7.438   0.295
  100   HD21  ASN1897          HD21      ASN1897  16.851  -8.087  -1.799
  101   HD22  ASN1897          HD22      ASN1897  16.879  -9.721  -2.317
  102    HA   PRO1898           HA       PRO1898  20.332 -10.419   3.304
  103    HB2  PRO1898           HB2      PRO1898  20.153 -12.985   2.202
  104    HB3  PRO1898           HB1      PRO1898  19.829 -12.553   3.884
  105    HG2  PRO1898           HG2      PRO1898  17.924 -12.930   1.614
  106    HG3  PRO1898           HG1      PRO1898  17.745 -13.384   3.319
  107    HD2  PRO1898           HD2      PRO1898  16.496 -11.251   2.344
  108    HD3  PRO1898           HD1      PRO1898  17.228 -11.206   3.965
  109    H    ALA1899           HN       ALA1899  18.907 -11.161   0.152
  110    HA   ALA1899           HA       ALA1899  21.330 -11.506  -1.253
  111    HB1  ALA1899           HB1      ALA1899  18.646 -10.644  -2.332
  112    HB2  ALA1899           HB2      ALA1899  19.171 -12.311  -2.095
  113    HB3  ALA1899           HB3      ALA1899  19.988 -11.287  -3.276
  114    H    THR1900           HN       THR1900  19.239  -8.680  -0.835
  115    HA   THR1900           HA       THR1900  20.835  -6.988  -2.482
  116    HB   THR1900           HB       THR1900  18.820  -6.138  -0.378
  117    HG1  THR1900           HG1      THR1900  18.504  -7.031  -3.052
  118   HG21  THR1900          HG21      THR1900  18.467  -4.255  -1.882
  119   HG22  THR1900          HG22      THR1900  19.668  -4.909  -2.993
  120   HG23  THR1900          HG23      THR1900  20.164  -4.339  -1.392
  121    H    GLY1901           HN       GLY1901  20.448  -7.498   1.026
  122    HA2  GLY1901           HA2      GLY1901  21.999  -7.138   2.713
  123    HA3  GLY1901           HA1      GLY1901  23.095  -6.424   1.530
  124    H    HIS1902           HN       HIS1902  20.372  -5.026   0.872
  125    HA   HIS1902           HA       HIS1902  20.858  -2.794   2.655
  126    HB2  HIS1902           HB2      HIS1902  20.147  -2.784  -0.267
  127    HB3  HIS1902           HB1      HIS1902  19.840  -1.380   0.750
  128    HD1  HIS1902           HD1      HIS1902  22.166  -2.036  -1.661
  129    HD2  HIS1902           HD2      HIS1902  22.596  -1.211   2.402
  130    HE1  HIS1902           HE1      HIS1902  24.481  -1.160  -1.385
  131    HE2  HIS1902           HE2      HIS1902  24.507  -0.297   0.989
  132    H    LEU1903           HN       LEU1903  18.943  -1.318   2.849
  133    HA   LEU1903           HA       LEU1903  17.063  -2.998   4.208
  134    HB2  LEU1903           HB2      LEU1903  18.125  -1.003   5.200
  135    HB3  LEU1903           HB1      LEU1903  17.226  -0.001   4.084
  136    HG   LEU1903           HG       LEU1903  15.118  -0.887   5.100
  137   HD11  LEU1903          HD11      LEU1903  15.267  -1.970   7.286
  138   HD12  LEU1903          HD12      LEU1903  17.022  -2.052   7.120
  139   HD13  LEU1903          HD13      LEU1903  15.987  -2.951   6.010
  140   HD21  LEU1903          HD21      LEU1903  17.031   0.518   6.963
  141   HD22  LEU1903          HD22      LEU1903  15.276   0.478   7.126
  142   HD23  LEU1903          HD23      LEU1903  16.015   1.287   5.743
  143    H    PHE1904           HN       PHE1904  14.891  -3.061   4.002
  144    HA   PHE1904           HA       PHE1904  13.583  -1.796   1.703
  145    HB2  PHE1904           HB2      PHE1904  13.171  -4.446   3.122
  146    HB3  PHE1904           HB1      PHE1904  11.899  -3.749   2.139
  147    HD1  PHE1904           HD2      PHE1904  15.546  -3.887   1.482
  148    HD2  PHE1904           HD1      PHE1904  11.706  -5.332   0.367
  149    HE1  PHE1904           HE2      PHE1904  16.543  -5.021  -0.455
  150    HE2  PHE1904           HE1      PHE1904  12.695  -6.468  -1.573
  151    HZ   PHE1904           HZ       PHE1904  14.981  -6.380  -2.014
  152    H    ASP1905           HN       ASP1905  12.645  -0.014   2.663
  153    HA   ASP1905           HA       ASP1905  10.946  -0.381   4.951
  154    HB2  ASP1905           HB2      ASP1905  12.951  -0.052   6.178
  155    HB3  ASP1905           HB1      ASP1905  13.467   1.254   5.128
  156    H    LEU1906           HN       LEU1906   9.263   0.737   4.694
  157    HA   LEU1906           HA       LEU1906   9.158   2.788   2.603
  158    HB2  LEU1906           HB2      LEU1906   6.927   1.417   4.085
  159    HB3  LEU1906           HB1      LEU1906   6.770   2.411   2.651
  160    HG   LEU1906           HG       LEU1906   8.189  -0.245   2.780
  161   HD11  LEU1906          HD11      LEU1906   5.523   0.505   1.627
  162   HD12  LEU1906          HD12      LEU1906   5.807  -0.491   3.058
  163   HD13  LEU1906          HD13      LEU1906   6.314  -1.062   1.465
  164   HD21  LEU1906          HD21      LEU1906   8.238  -0.088   0.335
  165   HD22  LEU1906          HD22      LEU1906   9.140   1.230   1.085
  166   HD23  LEU1906          HD23      LEU1906   7.532   1.525   0.425
  167    H    THR1907           HN       THR1907  10.393   3.767   4.930
  168    HA   THR1907           HA       THR1907   8.639   4.898   6.781
  169    HB   THR1907           HB       THR1907  10.879   6.425   6.857
  170    HG1  THR1907           HG1      THR1907  12.046   4.004   6.383
  171   HG21  THR1907          HG21      THR1907  10.458   3.652   7.925
  172   HG22  THR1907          HG22      THR1907   9.864   5.134   8.691
  173   HG23  THR1907          HG23      THR1907  11.604   4.825   8.576
  174    H    SER1908           HN       SER1908   9.606   6.019   3.628
  175    HA   SER1908           HA       SER1908   8.655   8.668   4.160
  176    HB2  SER1908           HB2      SER1908   9.364   7.340   1.539
  177    HB3  SER1908           HB1      SER1908   9.106   9.073   1.791
  178    HG   SER1908           HG       SER1908  11.294   8.705   1.933
  179    H    LEU1909           HN       LEU1909   7.137   5.772   3.717
  180    HA   LEU1909           HA       LEU1909   4.845   7.017   2.400
  181    HB2  LEU1909           HB2      LEU1909   5.804   4.890   1.472
  182    HB3  LEU1909           HB1      LEU1909   5.279   4.097   2.945
  183    HG   LEU1909           HG       LEU1909   2.951   4.694   2.427
  184   HD11  LEU1909          HD11      LEU1909   4.137   5.768  -0.127
  185   HD12  LEU1909          HD12      LEU1909   3.396   6.723   1.158
  186   HD13  LEU1909          HD13      LEU1909   2.414   5.597   0.217
  187   HD21  LEU1909          HD21      LEU1909   2.674   3.161   0.548
  188   HD22  LEU1909          HD22      LEU1909   3.856   2.541   1.700
  189   HD23  LEU1909          HD23      LEU1909   4.395   3.283   0.191
  190    H    LYS1910           HN       LYS1910   5.940   5.392   5.289
  191    HA   LYS1910           HA       LYS1910   3.321   5.227   6.394
  192    HB2  LYS1910           HB2      LYS1910   4.505   4.567   8.510
  193    HB3  LYS1910           HB1      LYS1910   4.886   3.571   7.118
  194    HG2  LYS1910           HG2      LYS1910   7.024   4.547   6.877
  195    HG3  LYS1910           HG1      LYS1910   6.636   5.848   7.997
  196    HD2  LYS1910           HD2      LYS1910   7.985   4.424   9.251
  197    HD3  LYS1910           HD1      LYS1910   6.311   4.072   9.705
  198    HE2  LYS1910           HE2      LYS1910   7.539   1.965   9.502
  199    HE3  LYS1910           HE1      LYS1910   6.287   2.081   8.278
  200    HZ1  LYS1910           HZ1      LYS1910   8.038   2.619   6.622
  201    HZ2  LYS1910           HZ2      LYS1910   8.376   1.162   7.411
  202    HZ3  LYS1910           HZ3      LYS1910   9.242   2.456   7.787
  203    H    ARG1911           HN       ARG1911   2.300   7.026   6.692
  204    HA   ARG1911           HA       ARG1911   3.301   9.033   8.541
  205    HB2  ARG1911           HB2      ARG1911   2.526  10.810   6.978
  206    HB3  ARG1911           HB1      ARG1911   3.840   9.871   6.279
  207    HG2  ARG1911           HG2      ARG1911   1.632   8.512   5.401
  208    HG3  ARG1911           HG1      ARG1911   1.083  10.189   5.413
  209    HD2  ARG1911           HD2      ARG1911   3.611   9.237   4.086
  210    HD3  ARG1911           HD1      ARG1911   2.078   9.444   3.250
  211    HE   ARG1911           HE       ARG1911   2.510  11.846   4.405
  212   HH11  ARG1911          HH11      ARG1911   4.754   9.835   2.498
  213   HH12  ARG1911          HH12      ARG1911   5.286  11.158   1.554
  214   HH21  ARG1911          HH21      ARG1911   3.287  13.593   3.046
  215   HH22  ARG1911          HH22      ARG1911   4.500  13.272   1.871
  216    H    GLU1912           HN       GLU1912   1.166  10.545   8.919
  217    HA   GLU1912           HA       GLU1912  -0.879   8.623   9.585
  218    HB2  GLU1912           HB2      GLU1912  -1.277  11.588   9.871
  219    HB3  GLU1912           HB1      GLU1912  -1.952  10.292  10.835
  220    HG2  GLU1912           HG2      GLU1912  -0.445  11.132  12.302
  221    HG3  GLU1912           HG1      GLU1912   0.577   9.940  11.495
  222    H    SER1913           HN       SER1913  -0.612  11.434   7.457
  223    HA   SER1913           HA       SER1913  -3.236  11.775   6.771
  224    HB2  SER1913           HB2      SER1913  -2.070  12.814   4.669
  225    HB3  SER1913           HB1      SER1913  -1.870  13.531   6.272
  226    HG   SER1913           HG       SER1913   0.130  13.354   5.465
  227    H    GLY1914           HN       GLY1914  -0.833   9.891   5.023
  228    HA2  GLY1914           HA2      GLY1914  -1.436   7.831   3.968
  229    HA3  GLY1914           HA1      GLY1914  -3.038   8.525   3.663
  230    H    TYR1915           HN       TYR1915  -2.256   7.634   1.496
  231    HA   TYR1915           HA       TYR1915  -1.435   9.979   0.048
  232    HB2  TYR1915           HB2      TYR1915   0.094   8.759  -1.407
  233    HB3  TYR1915           HB1      TYR1915   0.644   8.653   0.251
  234    HD1  TYR1915           HD1      TYR1915  -0.150   6.381   1.492
  235    HD2  TYR1915           HD2      TYR1915   0.161   6.906  -2.710
  236    HE1  TYR1915           HE1      TYR1915   0.112   3.945   1.207
  237    HE2  TYR1915           HE2      TYR1915   0.415   4.489  -3.003
  238    HH   TYR1915           HH       TYR1915   1.158   2.557  -1.708
  239    H    THR1916           HN       THR1916  -2.190   9.996  -2.089
  240    HA   THR1916           HA       THR1916  -4.344   8.075  -2.596
  241    HB   THR1916           HB       THR1916  -5.310  10.014  -1.307
  242    HG1  THR1916           HG1      THR1916  -6.488   8.868  -2.939
  243   HG21  THR1916          HG21      THR1916  -4.387  11.594  -3.706
  244   HG22  THR1916          HG22      THR1916  -3.773  11.753  -2.065
  245   HG23  THR1916          HG23      THR1916  -5.444  12.205  -2.427
  246    H    ILE1917           HN       ILE1917  -4.970   7.783  -4.306
  247    HA   ILE1917           HA       ILE1917  -3.798   9.029  -6.613
  248    HB   ILE1917           HB       ILE1917  -3.939   6.675  -7.571
  249   HG12  ILE1917          HG12      ILE1917  -3.424   5.938  -4.687
  250   HG13  ILE1917          HG11      ILE1917  -4.845   5.525  -5.634
  251   HG21  ILE1917          HG21      ILE1917  -1.850   7.910  -7.584
  252   HG22  ILE1917          HG22      ILE1917  -1.491   6.261  -7.137
  253   HG23  ILE1917          HG23      ILE1917  -1.559   7.508  -5.897
  254   HD11  ILE1917          HD11      ILE1917  -2.042   4.535  -6.116
  255   HD12  ILE1917          HD12      ILE1917  -3.459   4.117  -7.077
  256   HD13  ILE1917          HD13      ILE1917  -3.362   3.620  -5.388
  257    H    THR1918           HN       THR1918  -5.185   8.233  -8.536
  258    HA   THR1918           HA       THR1918  -7.906   8.481  -7.616
  259    HB   THR1918           HB       THR1918  -6.796   8.555 -10.434
  260    HG1  THR1918           HG1      THR1918  -5.953  10.301  -9.685
  261   HG21  THR1918          HG21      THR1918  -9.250   8.185 -10.284
  262   HG22  THR1918          HG22      THR1918  -8.876   9.779 -10.939
  263   HG23  THR1918          HG23      THR1918  -9.388   9.615  -9.259
  264    H    ASP1919           HN       ASP1919  -9.526   7.014  -8.084
  265    HA   ASP1919           HA       ASP1919  -8.883   4.254  -8.229
  266    HB2  ASP1919           HB2      ASP1919 -10.767   4.798  -6.950
  267    HB3  ASP1919           HB1      ASP1919 -11.319   5.991  -8.092
  268    H    SER1920           HN       SER1920 -10.360   2.932  -9.953
  269    HA   SER1920           HA       SER1920  -9.223   2.943 -12.408
  270    HB2  SER1920           HB2      SER1920 -10.727   1.174 -11.536
  271    HB3  SER1920           HB1      SER1920 -12.106   2.240 -11.761
  272    HG   SER1920           HG       SER1920 -10.465   1.648 -13.995
  273    H    HIS1921           HN       HIS1921 -12.077   4.811 -11.408
  274    HA   HIS1921           HA       HIS1921 -11.402   6.990 -13.049
  275    HB2  HIS1921           HB2      HIS1921 -12.177   5.441 -14.877
  276    HB3  HIS1921           HB1      HIS1921 -13.785   5.485 -14.165
  277    HD1  HIS1921           HD1      HIS1921 -11.318   7.614 -16.027
  278    HD2  HIS1921           HD2      HIS1921 -15.260   7.791 -14.741
  279    HE1  HIS1921           HE1      HIS1921 -12.293   9.639 -17.117
  280    HE2  HIS1921           HE2      HIS1921 -14.573   9.866 -16.128
  281    H    ASN1922           HN       ASN1922 -13.614   5.406 -10.946
  282    HA   ASN1922           HA       ASN1922 -15.513   7.621 -10.985
  283    HB2  ASN1922           HB2      ASN1922 -16.264   5.260 -10.945
  284    HB3  ASN1922           HB1      ASN1922 -15.496   5.085  -9.401
  285   HD21  ASN1922          HD21      ASN1922 -18.260   6.526 -11.002
  286   HD22  ASN1922          HD22      ASN1922 -19.074   6.947  -9.543
  287    H    ARG1923           HN       ARG1923 -13.772   5.823  -8.644
  288    HA   ARG1923           HA       ARG1923 -14.432   7.722  -6.487
  289    HB2  ARG1923           HB2      ARG1923 -12.771   5.244  -6.270
  290    HB3  ARG1923           HB1      ARG1923 -13.638   6.085  -4.998
  291    HG2  ARG1923           HG2      ARG1923 -15.734   5.415  -5.950
  292    HG3  ARG1923           HG1      ARG1923 -14.892   4.636  -7.298
  293    HD2  ARG1923           HD2      ARG1923 -13.728   3.205  -5.689
  294    HD3  ARG1923           HD1      ARG1923 -14.672   3.936  -4.392
  295    HE   ARG1923           HE       ARG1923 -16.537   2.919  -5.146
  296   HH11  ARG1923          HH11      ARG1923 -13.687   2.082  -7.211
  297   HH12  ARG1923          HH12      ARG1923 -14.407   0.715  -7.884
  298   HH21  ARG1923          HH21      ARG1923 -17.508   1.022  -6.126
  299   HH22  ARG1923          HH22      ARG1923 -16.650   0.064  -7.255
  300    H    LYS1924           HN       LYS1924 -12.484   7.595  -4.763
  301    HA   LYS1924           HA       LYS1924  -9.985   8.332  -6.086
  302    HB2  LYS1924           HB2      LYS1924 -11.339  10.239  -4.950
  303    HB3  LYS1924           HB1      LYS1924 -10.938   9.440  -3.438
  304    HG2  LYS1924           HG2      LYS1924  -9.375  11.214  -3.788
  305    HG3  LYS1924           HG1      LYS1924  -8.527   9.682  -4.017
  306    HD2  LYS1924           HD2      LYS1924  -8.741   9.902  -6.436
  307    HD3  LYS1924           HD1      LYS1924  -9.643  11.404  -6.235
  308    HE2  LYS1924           HE2      LYS1924  -7.631  12.363  -5.098
  309    HE3  LYS1924           HE1      LYS1924  -6.755  10.892  -5.520
  310    HZ1  LYS1924           HZ1      LYS1924  -7.136  11.402  -7.892
  311    HZ2  LYS1924           HZ2      LYS1924  -6.377  12.704  -7.113
  312    HZ3  LYS1924           HZ3      LYS1924  -8.016  12.774  -7.436
  313    H    ILE1925           HN       ILE1925  -8.235   7.210  -5.232
  314    HA   ILE1925           HA       ILE1925  -8.925   5.142  -3.308
  315    HB   ILE1925           HB       ILE1925  -6.501   5.429  -5.117
  316   HG12  ILE1925          HG12      ILE1925  -8.823   3.493  -5.196
  317   HG13  ILE1925          HG11      ILE1925  -8.589   4.850  -6.282
  318   HG21  ILE1925          HG21      ILE1925  -5.896   3.169  -4.381
  319   HG22  ILE1925          HG22      ILE1925  -7.241   3.183  -3.240
  320   HG23  ILE1925          HG23      ILE1925  -5.899   4.311  -3.037
  321   HD11  ILE1925          HD11      ILE1925  -6.761   2.443  -6.068
  322   HD12  ILE1925          HD12      ILE1925  -6.528   3.804  -7.150
  323   HD13  ILE1925          HD13      ILE1925  -7.916   2.742  -7.366
  324    H    GLU1926           HN       GLU1926  -8.559   5.599  -1.327
  325    HA   GLU1926           HA       GLU1926  -6.315   7.360  -0.597
  326    HB2  GLU1926           HB2      GLU1926  -8.884   6.793   0.864
  327    HB3  GLU1926           HB1      GLU1926  -7.604   7.871   1.408
  328    HG2  GLU1926           HG2      GLU1926  -7.996   9.330  -0.470
  329    HG3  GLU1926           HG1      GLU1926  -9.222   8.225  -1.097
  330    H    LEU1927           HN       LEU1927  -4.702   6.276   0.358
  331    HA   LEU1927           HA       LEU1927  -5.305   4.271   2.282
  332    HB2  LEU1927           HB2      LEU1927  -3.518   2.769   0.954
  333    HB3  LEU1927           HB1      LEU1927  -5.234   2.521   0.834
  334    HG   LEU1927           HG       LEU1927  -5.213   3.887  -1.264
  335   HD11  LEU1927          HD11      LEU1927  -3.107   4.294  -2.401
  336   HD12  LEU1927          HD12      LEU1927  -2.228   3.739  -0.977
  337   HD13  LEU1927          HD13      LEU1927  -3.210   5.199  -0.890
  338   HD21  LEU1927          HD21      LEU1927  -3.426   1.486  -1.195
  339   HD22  LEU1927          HD22      LEU1927  -4.203   2.159  -2.630
  340   HD23  LEU1927          HD23      LEU1927  -5.183   1.492  -1.325
  341    H    ASN1928           HN       ASN1928  -3.361   3.443   3.313
  342    HA   ASN1928           HA       ASN1928  -0.970   4.969   2.859
  343    HB2  ASN1928           HB2      ASN1928  -2.290   6.354   4.479
  344    HB3  ASN1928           HB1      ASN1928  -2.306   4.983   5.582
  345   HD21  ASN1928          HD21      ASN1928  -0.504   4.532   6.725
  346   HD22  ASN1928          HD22      ASN1928   0.863   5.597   6.783
  347    H    VAL1929           HN       VAL1929   0.837   3.898   3.661
  348    HA   VAL1929           HA       VAL1929   0.233   1.153   4.443
  349    HB   VAL1929           HB       VAL1929   2.316   2.128   2.468
  350   HG11  VAL1929          HG11      VAL1929   2.957  -0.198   2.176
  351   HG12  VAL1929          HG12      VAL1929   1.827  -0.677   3.442
  352   HG13  VAL1929          HG13      VAL1929   3.222   0.322   3.838
  353   HG21  VAL1929          HG21      VAL1929  -0.080   0.336   2.118
  354   HG22  VAL1929          HG22      VAL1929   1.112   0.717   0.873
  355   HG23  VAL1929          HG23      VAL1929   0.086   1.992   1.536
  356    H    CYS1930           HN       CYS1930   1.410   0.284   5.942
  357    HA   CYS1930           HA       CYS1930   2.927  -0.128   7.555
  358    HB2  CYS1930           HB2      CYS1930   4.498   2.129   6.339
  359    HB3  CYS1930           HB1      CYS1930   5.075   1.098   7.646
  360    H    ALA1931           HN       ALA1931   0.989   2.305   7.424
  361    HA   ALA1931           HA       ALA1931   0.995   2.694  10.205
  362    HB1  ALA1931           HB1      ALA1931   1.143   5.176  10.077
  363    HB2  ALA1931           HB2      ALA1931   1.526   5.054   8.360
  364    HB3  ALA1931           HB3      ALA1931   2.657   4.428   9.551
  365    H    GLU1932           HN       GLU1932  -1.031   3.562  10.742
  366    HA   GLU1932           HA       GLU1932  -3.088   2.753   8.999
  367    HB2  GLU1932           HB2      GLU1932  -4.562   3.719  10.824
  368    HB3  GLU1932           HB1      GLU1932  -3.439   2.450  11.292
  369    HG2  GLU1932           HG2      GLU1932  -1.884   4.488  11.871
  370    HG3  GLU1932           HG1      GLU1932  -3.428   5.338  11.948
  371    H    ALA1933           HN       ALA1933  -4.760   3.927   7.972
  372    HA   ALA1933           HA       ALA1933  -3.713   6.355   6.815
  373    HB1  ALA1933           HB1      ALA1933  -4.483   4.558   5.333
  374    HB2  ALA1933           HB2      ALA1933  -5.403   6.041   5.093
  375    HB3  ALA1933           HB3      ALA1933  -6.105   4.706   6.005
  376    H    LYS1934           HN       LYS1934  -4.180   8.156   7.734
  377    HA   LYS1934           HA       LYS1934  -6.733   8.588   9.059
  378    HB2  LYS1934           HB2      LYS1934  -4.517   9.231  10.093
  379    HB3  LYS1934           HB1      LYS1934  -4.304  10.390   8.803
  380    HG2  LYS1934           HG2      LYS1934  -5.041  11.405  10.913
  381    HG3  LYS1934           HG1      LYS1934  -6.177  11.680   9.591
  382    HD2  LYS1934           HD2      LYS1934  -7.642   9.981  10.411
  383    HD3  LYS1934           HD1      LYS1934  -6.461   9.481  11.625
  384    HE2  LYS1934           HE2      LYS1934  -7.692  12.222  11.508
  385    HE3  LYS1934           HE1      LYS1934  -8.336  10.904  12.483
  386    HZ1  LYS1934           HZ1      LYS1934  -6.264  10.789  13.660
  387    HZ2  LYS1934           HZ2      LYS1934  -6.917  12.353  13.772
  388    HZ3  LYS1934           HZ3      LYS1934  -5.597  12.056  12.759
  389    H    SER1935           HN       SER1935  -6.666   8.214   6.254
  390    HA   SER1935           HA       SER1935  -7.096  10.708   4.878
  391    HB2  SER1935           HB2      SER1935  -7.866   7.880   4.096
  392    HB3  SER1935           HB1      SER1935  -7.583   9.247   3.016
  393    HG   SER1935           HG       SER1935  -5.363   9.150   4.227
  394    H    SER1936           HN       SER1936  -9.655   9.530   3.511
  395    HA   SER1936           HA       SER1936 -11.598  10.622   5.239
  396    HB2  SER1936           HB2      SER1936 -11.980   8.778   2.870
  397    HB3  SER1936           HB1      SER1936 -13.230   9.782   3.612
  398    HG   SER1936           HG       SER1936 -11.135  10.451   1.943
  399    H    CYS1937           HN       CYS1937 -10.039   7.705   5.412
  400    HA   CYS1937           HA       CYS1937 -12.002   5.927   6.321
  401    HB2  CYS1937           HB2      CYS1937  -9.098   5.967   7.157
  402    HB3  CYS1937           HB1      CYS1937 -10.155   4.570   6.983
  403    H    ALA1938           HN       ALA1938 -11.628   5.081   8.851
  404    HA   ALA1938           HA       ALA1938 -11.970   7.437  10.461
  405    HB1  ALA1938           HB1      ALA1938 -13.450   5.499  10.868
  406    HB2  ALA1938           HB2      ALA1938 -12.507   5.964  12.306
  407    HB3  ALA1938           HB3      ALA1938 -12.026   4.574  11.374
  408    H    ASN1939           HN       ASN1939 -10.239   4.607  11.661
  409    HA   ASN1939           HA       ASN1939  -8.158   6.428  12.285
  410    HB2  ASN1939           HB2      ASN1939  -9.380   6.243  14.276
  411    HB3  ASN1939           HB1      ASN1939  -9.514   4.498  14.125
  412   HD21  ASN1939          HD21      ASN1939  -7.907   3.245  14.826
  413   HD22  ASN1939          HD22      ASN1939  -6.518   3.814  15.645
  414    H    GLY1940           HN       GLY1940  -8.884   2.933  12.255
  415    HA2  GLY1940           HA2      GLY1940  -5.994   2.425  11.950
  416    HA3  GLY1940           HA1      GLY1940  -7.150   1.301  12.636
  417    H    ALA1941           HN       ALA1941  -8.350   2.820   9.939
  418    HA   ALA1941           HA       ALA1941  -8.193   0.396   8.381
  419    HB1  ALA1941           HB1      ALA1941  -9.322   3.114   7.686
  420    HB2  ALA1941           HB2      ALA1941 -10.237   1.757   8.343
  421    HB3  ALA1941           HB3      ALA1941  -9.531   1.647   6.730
  422    H    ALA1942           HN       ALA1942  -7.142   0.274   6.271
  423    HA   ALA1942           HA       ALA1942  -5.024   2.294   6.033
  424    HB1  ALA1942           HB1      ALA1942  -4.766  -0.616   5.318
  425    HB2  ALA1942           HB2      ALA1942  -4.146   0.128   6.791
  426    HB3  ALA1942           HB3      ALA1942  -3.504   0.612   5.221
  427    H    VAL1943           HN       VAL1943  -7.168   0.157   4.206
  428    HA   VAL1943           HA       VAL1943  -6.528   1.838   1.871
  429    HB   VAL1943           HB       VAL1943  -7.490  -1.036   1.823
  430   HG11  VAL1943          HG11      VAL1943  -6.570   0.758  -0.422
  431   HG12  VAL1943          HG12      VAL1943  -8.223   0.221  -0.123
  432   HG13  VAL1943          HG13      VAL1943  -6.983  -0.950  -0.573
  433   HG21  VAL1943          HG21      VAL1943  -4.749   0.081   1.261
  434   HG22  VAL1943          HG22      VAL1943  -5.242  -1.596   1.021
  435   HG23  VAL1943          HG23      VAL1943  -5.205  -0.909   2.646
  436    H    CYS1944           HN       CYS1944  -8.129   3.170   1.410
  437    HA   CYS1944           HA       CYS1944 -10.878   2.181   1.643
  438    HB2  CYS1944           HB2      CYS1944  -9.898   4.981   2.199
  439    HB3  CYS1944           HB1      CYS1944 -11.572   4.439   2.244
  440    H    ILE1945           HN       ILE1945 -11.618   1.969  -0.338
  441    HA   ILE1945           HA       ILE1945 -10.801   3.877  -2.403
  442    HB   ILE1945           HB       ILE1945 -12.746   1.557  -2.778
  443   HG12  ILE1945          HG12      ILE1945 -10.699   0.578  -1.780
  444   HG13  ILE1945          HG11      ILE1945 -10.910   0.082  -3.450
  445   HG21  ILE1945          HG21      ILE1945 -12.577   3.189  -4.572
  446   HG22  ILE1945          HG22      ILE1945 -11.937   1.635  -5.095
  447   HG23  ILE1945          HG23      ILE1945 -10.833   2.943  -4.656
  448   HD11  ILE1945          HD11      ILE1945  -9.010   2.200  -2.453
  449   HD12  ILE1945          HD12      ILE1945  -9.208   1.712  -4.135
  450   HD13  ILE1945          HD13      ILE1945  -8.578   0.565  -2.953
  451    H    THR1946           HN       THR1946 -11.936   5.736  -1.850
  452    HA   THR1946           HA       THR1946 -14.545   5.380  -0.665
  453    HB   THR1946           HB       THR1946 -13.078   7.987  -0.880
  454    HG1  THR1946           HG1      THR1946 -11.687   7.391   0.575
  455   HG21  THR1946          HG21      THR1946 -14.123   8.373   1.280
  456   HG22  THR1946          HG22      THR1946 -14.699   6.729   1.333
  457   HG23  THR1946          HG23      THR1946 -15.375   7.854   0.140
  458    H    ASP1947           HN       ASP1947 -16.323   5.698  -1.831
  459    HA   ASP1947           HA       ASP1947 -16.189   7.712  -3.896
  460    HB2  ASP1947           HB2      ASP1947 -18.113   6.575  -5.054
  461    HB3  ASP1947           HB1      ASP1947 -16.589   5.711  -5.181
  462    H    GLY1948           HN       GLY1948 -16.728   9.335  -2.778
  463    HA2  GLY1948           HA2      GLY1948 -18.235  10.894  -1.960
  464    HA3  GLY1948           HA1      GLY1948 -19.520   9.706  -2.167
  465    HA   PRO1949           HA       PRO1949 -19.102   9.543   2.354
  466    HB2  PRO1949           HB2      PRO1949 -21.728   8.258   2.257
  467    HB3  PRO1949           HB1      PRO1949 -21.286   9.804   2.983
  468    HG2  PRO1949           HG2      PRO1949 -22.850   9.614   0.776
  469    HG3  PRO1949           HG1      PRO1949 -21.769  10.987   1.078
  470    HD2  PRO1949           HD2      PRO1949 -21.361   8.604  -0.694
  471    HD3  PRO1949           HD1      PRO1949 -20.993  10.314  -1.009
  472    H    LYS1950           HN       LYS1950 -19.831   7.218  -0.056
  473    HA   LYS1950           HA       LYS1950 -19.833   4.877   1.577
  474    HB2  LYS1950           HB2      LYS1950 -21.106   4.955  -0.511
  475    HB3  LYS1950           HB1      LYS1950 -19.637   5.283  -1.418
  476    HG2  LYS1950           HG2      LYS1950 -18.767   3.096  -0.790
  477    HG3  LYS1950           HG1      LYS1950 -20.271   2.759   0.073
  478    HD2  LYS1950           HD2      LYS1950 -21.533   2.800  -1.914
  479    HD3  LYS1950           HD1      LYS1950 -20.205   3.522  -2.825
  480    HE2  LYS1950           HE2      LYS1950 -20.307   0.746  -1.673
  481    HE3  LYS1950           HE1      LYS1950 -20.390   1.190  -3.378
  482    HZ1  LYS1950           HZ1      LYS1950 -18.112   2.232  -3.021
  483    HZ2  LYS1950           HZ2      LYS1950 -18.217   0.533  -3.004
  484    HZ3  LYS1950           HZ3      LYS1950 -18.089   1.362  -1.543
  485    H    THR1951           HN       THR1951 -18.032   4.157   2.449
  486    HA   THR1951           HA       THR1951 -15.492   4.751   1.112
  487    HB   THR1951           HB       THR1951 -15.975   4.171   4.040
  488    HG1  THR1951           HG1      THR1951 -16.889   6.145   2.851
  489   HG21  THR1951          HG21      THR1951 -13.658   3.823   3.234
  490   HG22  THR1951          HG22      THR1951 -13.756   5.218   4.310
  491   HG23  THR1951          HG23      THR1951 -13.655   5.456   2.568
  492    H    LEU1952           HN       LEU1952 -14.998   2.900  -0.035
  493    HA   LEU1952           HA       LEU1952 -15.724   0.339   1.039
  494    HB2  LEU1952           HB2      LEU1952 -15.783   0.878  -1.435
  495    HB3  LEU1952           HB1      LEU1952 -14.044   0.994  -1.412
  496    HG   LEU1952           HG       LEU1952 -14.933  -1.102  -2.432
  497   HD11  LEU1952          HD11      LEU1952 -13.257  -1.589   0.017
  498   HD12  LEU1952          HD12      LEU1952 -12.671  -1.131  -1.581
  499   HD13  LEU1952          HD13      LEU1952 -13.451  -2.695  -1.343
  500   HD21  LEU1952          HD21      LEU1952 -16.875  -1.444  -1.032
  501   HD22  LEU1952          HD22      LEU1952 -15.846  -1.738   0.366
  502   HD23  LEU1952          HD23      LEU1952 -15.834  -2.867  -0.991
  503    H    ASN1953           HN       ASN1953 -14.669  -0.009   2.826
  504    HA   ASN1953           HA       ASN1953 -11.826   0.488   2.980
  505    HB2  ASN1953           HB2      ASN1953 -13.273   0.885   5.004
  506    HB3  ASN1953           HB1      ASN1953 -13.633  -0.843   4.989
  507   HD21  ASN1953          HD21      ASN1953 -10.433   0.468   4.255
  508   HD22  ASN1953          HD22      ASN1953  -9.701  -0.219   5.652
  509    H    ALA1954           HN       ALA1954 -10.799  -0.832   1.775
  510    HA   ALA1954           HA       ALA1954 -11.560  -3.512   1.324
  511    HB1  ALA1954           HB1      ALA1954 -10.213  -2.270  -0.305
  512    HB2  ALA1954           HB2      ALA1954  -9.380  -3.736   0.217
  513    HB3  ALA1954           HB3      ALA1954  -8.894  -2.166   0.860
  514    H    GLY1955           HN       GLY1955  -9.015  -1.992   3.251
  515    HA2  GLY1955           HA2      GLY1955  -9.129  -4.217   5.046
  516    HA3  GLY1955           HA1      GLY1955  -7.636  -4.095   4.124
  517    H    LYS1956           HN       LYS1956  -7.704  -3.934   6.869
  518    HA   LYS1956           HA       LYS1956  -7.404  -1.090   7.464
  519    HB2  LYS1956           HB2      LYS1956  -7.438  -1.748   9.815
  520    HB3  LYS1956           HB1      LYS1956  -8.884  -2.281   8.971
  521    HG2  LYS1956           HG2      LYS1956  -8.043  -4.519   8.850
  522    HG3  LYS1956           HG1      LYS1956  -6.508  -4.017   9.570
  523    HD2  LYS1956           HD2      LYS1956  -7.981  -5.073  11.215
  524    HD3  LYS1956           HD1      LYS1956  -7.659  -3.386  11.613
  525    HE2  LYS1956           HE2      LYS1956  -9.826  -2.765  10.629
  526    HE3  LYS1956           HE1      LYS1956 -10.150  -4.466  10.290
  527    HZ1  LYS1956           HZ1      LYS1956  -9.991  -4.908  12.663
  528    HZ2  LYS1956           HZ2      LYS1956 -11.208  -3.766  12.349
  529    HZ3  LYS1956           HZ3      LYS1956  -9.707  -3.267  12.951
  530    H    LEU1957           HN       LEU1957  -5.663  -1.043   9.457
  531    HA   LEU1957           HA       LEU1957  -3.261  -1.428   8.004
  532    HB2  LEU1957           HB2      LEU1957  -3.669   0.649   9.167
  533    HB3  LEU1957           HB1      LEU1957  -3.821  -0.183  10.690
  534    HG   LEU1957           HG       LEU1957  -1.698   1.152  10.312
  535   HD11  LEU1957          HD11      LEU1957  -0.222  -0.471  11.368
  536   HD12  LEU1957          HD12      LEU1957  -1.372  -1.755  10.983
  537   HD13  LEU1957          HD13      LEU1957  -1.830  -0.466  12.092
  538   HD21  LEU1957          HD21      LEU1957  -1.267   0.533   8.006
  539   HD22  LEU1957          HD22      LEU1957  -1.040  -1.150   8.480
  540   HD23  LEU1957          HD23      LEU1957   0.096   0.083   9.031
  541    H    SER1958           HN       SER1958  -1.938  -2.926   8.095
  542    HA   SER1958           HA       SER1958  -1.126  -4.214  10.525
  543    HB2  SER1958           HB2      SER1958  -2.876  -5.747   9.517
  544    HB3  SER1958           HB1      SER1958  -1.917  -5.795   8.039
  545    HG   SER1958           HG       SER1958  -0.742  -7.247   8.897
  546    H    LYS1959           HN       LYS1959   0.971  -3.456  10.375
  547    HA   LYS1959           HA       LYS1959   1.961  -3.094   7.688
  548    HB2  LYS1959           HB2      LYS1959   3.875  -1.795   8.529
  549    HB3  LYS1959           HB1      LYS1959   2.374  -1.179   9.178
  550    HG2  LYS1959           HG2      LYS1959   4.018  -3.061  10.824
  551    HG3  LYS1959           HG1      LYS1959   4.526  -1.389  10.652
  552    HD2  LYS1959           HD2      LYS1959   1.836  -2.297  11.696
  553    HD3  LYS1959           HD1      LYS1959   3.206  -1.834  12.704
  554    HE2  LYS1959           HE2      LYS1959   3.159   0.404  11.527
  555    HE3  LYS1959           HE1      LYS1959   1.632  -0.097  10.813
  556    HZ1  LYS1959           HZ1      LYS1959   0.806  -0.380  13.212
  557    HZ2  LYS1959           HZ2      LYS1959   1.100   1.170  12.704
  558    HZ3  LYS1959           HZ3      LYS1959   2.221   0.427  13.677
  559    H    THR1960           HN       THR1960   1.901  -5.323   7.299
  560    HA   THR1960           HA       THR1960   4.096  -6.919   8.378
  561    HB   THR1960           HB       THR1960   1.808  -7.697   6.558
  562    HG1  THR1960           HG1      THR1960   2.116  -7.612   9.367
  563   HG21  THR1960          HG21      THR1960   3.702  -9.381   8.219
  564   HG22  THR1960          HG22      THR1960   3.719  -9.241   6.460
  565   HG23  THR1960          HG23      THR1960   2.346  -9.993   7.272
  566    H    LEU1961           HN       LEU1961   5.998  -6.711   7.243
  567    HA   LEU1961           HA       LEU1961   5.835  -6.270   4.365
  568    HB2  LEU1961           HB2      LEU1961   8.137  -5.872   6.261
  569    HB3  LEU1961           HB1      LEU1961   8.318  -5.857   4.523
  570    HG   LEU1961           HG       LEU1961   6.803  -3.885   6.216
  571   HD11  LEU1961          HD11      LEU1961   9.205  -3.650   4.414
  572   HD12  LEU1961          HD12      LEU1961   9.220  -3.628   6.178
  573   HD13  LEU1961          HD13      LEU1961   8.436  -2.323   5.286
  574   HD21  LEU1961          HD21      LEU1961   5.555  -4.319   4.150
  575   HD22  LEU1961          HD22      LEU1961   7.018  -4.039   3.206
  576   HD23  LEU1961          HD23      LEU1961   6.294  -2.718   4.123
  577    H    THR1962           HN       THR1962   6.278  -7.763   3.036
  578    HA   THR1962           HA       THR1962   7.965  -9.948   3.831
  579    HB   THR1962           HB       THR1962   5.939 -10.942   4.329
  580    HG1  THR1962           HG1      THR1962   6.795 -12.414   3.027
  581   HG21  THR1962          HG21      THR1962   3.848 -10.722   3.021
  582   HG22  THR1962          HG22      THR1962   4.686  -9.603   1.927
  583   HG23  THR1962          HG23      THR1962   4.477  -9.187   3.634
  584    H    TYR1963           HN       TYR1963   9.403 -10.291   2.329
  585    HA   TYR1963           HA       TYR1963   8.992  -8.959  -0.221
  586    HB2  TYR1963           HB2      TYR1963  11.520  -9.231  -0.497
  587    HB3  TYR1963           HB1      TYR1963  10.976  -8.107   0.735
  588    HD1  TYR1963           HD2      TYR1963  11.264  -8.639   3.108
  589    HD2  TYR1963           HD1      TYR1963  12.749 -11.245   0.100
  590    HE1  TYR1963           HE2      TYR1963  12.672  -9.749   4.780
  591    HE2  TYR1963           HE1      TYR1963  14.169 -12.366   1.770
  592    HH   TYR1963           HH       TYR1963  13.733 -11.965   5.077
  593    H    GLU1964           HN       GLU1964   8.676  -9.980  -1.978
  594    HA   GLU1964           HA       GLU1964   9.238 -12.865  -2.093
  595    HB2  GLU1964           HB2      GLU1964   6.884 -11.448  -3.358
  596    HB3  GLU1964           HB1      GLU1964   7.215 -13.168  -3.392
  597    HG2  GLU1964           HG2      GLU1964   6.900 -13.176  -0.910
  598    HG3  GLU1964           HG1      GLU1964   6.367 -11.502  -1.043
  599    H    ASP1965           HN       ASP1965  10.585 -13.289  -3.736
  600    HA   ASP1965           HA       ASP1965  11.729 -13.171  -5.709
  601    HB2  ASP1965           HB2      ASP1965   9.390 -13.362  -6.616
  602    HB3  ASP1965           HB1      ASP1965   9.280 -11.614  -6.650
  603    H    GLN1966           HN       GLN1966  12.190 -11.279  -3.680
  604    HA   GLN1966           HA       GLN1966  13.342  -9.497  -3.132
  605    HB2  GLN1966           HB2      GLN1966  14.186  -9.479  -6.027
  606    HB3  GLN1966           HB1      GLN1966  14.874  -8.418  -4.807
  607    HG2  GLN1966           HG2      GLN1966  15.559 -10.445  -3.526
  608    HG3  GLN1966           HG1      GLN1966  15.004 -11.425  -4.879
  609   HE21  GLN1966          HE21      GLN1966  17.078 -12.241  -5.241
  610   HE22  GLN1966          HE22      GLN1966  18.332 -11.282  -5.944
  611    H    VAL1967           HN       VAL1967  10.577  -9.204  -4.348
  612    HA   VAL1967           HA       VAL1967  10.659  -6.281  -4.474
  613    HB   VAL1967           HB       VAL1967   8.498  -8.199  -5.504
  614   HG11  VAL1967          HG11      VAL1967   8.491  -5.193  -5.538
  615   HG12  VAL1967          HG12      VAL1967   7.446  -6.225  -4.561
  616   HG13  VAL1967          HG13      VAL1967   7.314  -6.250  -6.320
  617   HG21  VAL1967          HG21      VAL1967  10.312  -6.279  -6.939
  618   HG22  VAL1967          HG22      VAL1967   9.053  -7.267  -7.679
  619   HG23  VAL1967          HG23      VAL1967  10.456  -8.035  -6.935
  620    H    LEU1968           HN       LEU1968   9.519  -5.166  -2.947
  621    HA   LEU1968           HA       LEU1968   8.973  -6.685  -0.556
  622    HB2  LEU1968           HB2      LEU1968  10.250  -4.568  -0.510
  623    HB3  LEU1968           HB1      LEU1968   8.838  -3.719  -1.102
  624    HG   LEU1968           HG       LEU1968   7.636  -4.313   0.970
  625   HD11  LEU1968          HD11      LEU1968   8.893  -5.203   2.871
  626   HD12  LEU1968          HD12      LEU1968  10.299  -5.434   1.830
  627   HD13  LEU1968          HD13      LEU1968   8.824  -6.356   1.537
  628   HD21  LEU1968          HD21      LEU1968   8.750  -2.171   0.801
  629   HD22  LEU1968          HD22      LEU1968  10.268  -2.888   1.328
  630   HD23  LEU1968          HD23      LEU1968   8.902  -2.795   2.444
  631    H    LYS1969           HN       LYS1969   6.949  -7.361  -0.050
  632    HA   LYS1969           HA       LYS1969   4.763  -5.922  -1.334
  633    HB2  LYS1969           HB2      LYS1969   4.953  -8.877  -0.765
  634    HB3  LYS1969           HB1      LYS1969   3.528  -8.050  -1.373
  635    HG2  LYS1969           HG2      LYS1969   4.780  -7.421  -3.392
  636    HG3  LYS1969           HG1      LYS1969   6.176  -8.320  -2.777
  637    HD2  LYS1969           HD2      LYS1969   4.797 -10.348  -2.703
  638    HD3  LYS1969           HD1      LYS1969   3.448  -9.439  -3.377
  639    HE2  LYS1969           HE2      LYS1969   4.767  -8.998  -5.395
  640    HE3  LYS1969           HE1      LYS1969   6.109  -9.919  -4.709
  641    HZ1  LYS1969           HZ1      LYS1969   4.669 -11.854  -4.618
  642    HZ2  LYS1969           HZ2      LYS1969   4.814 -11.287  -6.213
  643    HZ3  LYS1969           HZ3      LYS1969   3.410 -10.963  -5.316
  644    H    LEU1970           HN       LEU1970   2.818  -5.922  -0.204
  645    HA   LEU1970           HA       LEU1970   2.779  -6.760   2.555
  646    HB2  LEU1970           HB2      LEU1970   3.775  -4.323   2.265
  647    HB3  LEU1970           HB1      LEU1970   2.128  -3.879   1.893
  648    HG   LEU1970           HG       LEU1970   3.019  -5.113   4.504
  649   HD11  LEU1970          HD11      LEU1970   4.025  -2.956   4.239
  650   HD12  LEU1970          HD12      LEU1970   2.756  -2.900   5.464
  651   HD13  LEU1970          HD13      LEU1970   2.461  -2.245   3.853
  652   HD21  LEU1970          HD21      LEU1970   0.668  -5.498   4.030
  653   HD22  LEU1970          HD22      LEU1970   0.434  -3.772   3.756
  654   HD23  LEU1970          HD23      LEU1970   0.871  -4.361   5.361
  655    H    VAL1971           HN       VAL1971   0.613  -7.130   3.138
  656    HA   VAL1971           HA       VAL1971  -1.351  -6.578   1.046
  657    HB   VAL1971           HB       VAL1971  -2.549  -8.663   1.734
  658   HG11  VAL1971          HG11      VAL1971   0.280  -9.092   0.792
  659   HG12  VAL1971          HG12      VAL1971  -1.112  -8.694  -0.216
  660   HG13  VAL1971          HG13      VAL1971  -1.047 -10.244   0.625
  661   HG21  VAL1971          HG21      VAL1971  -1.346 -10.369   3.045
  662   HG22  VAL1971          HG22      VAL1971  -1.663  -8.917   3.989
  663   HG23  VAL1971          HG23      VAL1971  -0.047  -9.212   3.342
  664    H    TYR1972           HN       TYR1972  -3.260  -5.730   1.650
  665    HA   TYR1972           HA       TYR1972  -3.700  -5.466   4.523
  666    HB2  TYR1972           HB2      TYR1972  -4.241  -3.325   2.423
  667    HB3  TYR1972           HB1      TYR1972  -4.987  -3.330   4.012
  668    HD1  TYR1972           HD2      TYR1972  -3.151  -3.701   5.995
  669    HD2  TYR1972           HD1      TYR1972  -2.422  -2.049   2.164
  670    HE1  TYR1972           HE2      TYR1972  -1.167  -2.535   6.872
  671    HE2  TYR1972           HE1      TYR1972  -0.461  -0.894   3.017
  672    HH   TYR1972           HH       TYR1972   0.245  -0.040   5.171
  673    H    GLU1973           HN       GLU1973  -5.267  -6.556   5.184
  674    HA   GLU1973           HA       GLU1973  -7.743  -6.548   3.697
  675    HB2  GLU1973           HB2      GLU1973  -8.141  -8.947   4.249
  676    HB3  GLU1973           HB1      GLU1973  -6.806  -8.699   3.154
  677    HG2  GLU1973           HG2      GLU1973  -6.424  -9.119   6.095
  678    HG3  GLU1973           HG1      GLU1973  -6.521 -10.446   4.940
  679    H    ASP1974           HN       ASP1974  -9.119  -8.189   5.539
  680    HA   ASP1974           HA       ASP1974 -10.453  -7.984   7.292
  681    HB2  ASP1974           HB2      ASP1974  -8.306  -8.132   8.646
  682    HB3  ASP1974           HB1      ASP1974  -8.268  -6.379   8.676
  683    H    GLY1975           HN       GLY1975 -11.848  -6.872   6.174
  684    HA2  GLY1975           HA2      GLY1975 -12.412  -4.208   6.980
  685    HA3  GLY1975           HA1      GLY1975 -11.922  -4.334   5.285
  686    H    ASP1976           HN       ASP1976 -13.746  -4.230   4.130
  687    HA   ASP1976           HA       ASP1976 -15.977  -5.879   5.088
  688    HB2  ASP1976           HB2      ASP1976 -16.545  -3.520   4.733
  689    HB3  ASP1976           HB1      ASP1976 -16.018  -3.635   3.059
  690    HA   PRO1977           HA       PRO1977 -14.932  -8.671   1.739
  691    HB2  PRO1977           HB2      PRO1977 -17.089 -10.311   2.863
  692    HB3  PRO1977           HB1      PRO1977 -15.366 -10.681   2.748
  693    HG2  PRO1977           HG2      PRO1977 -16.590 -10.190   5.111
  694    HG3  PRO1977           HG1      PRO1977 -14.898  -9.762   4.806
  695    HD2  PRO1977           HD2      PRO1977 -17.332  -8.018   4.759
  696    HD3  PRO1977           HD1      PRO1977 -15.723  -7.686   5.434
  697    H    CYS1978           HN       CYS1978 -16.160  -9.391  -0.131
  698    HA   CYS1978           HA       CYS1978 -18.618  -7.838  -0.400
  699    HB2  CYS1978           HB2      CYS1978 -16.584  -8.678  -2.479
  700    HB3  CYS1978           HB1      CYS1978 -18.127  -7.921  -2.869
  701    HA   PRO1979           HA       PRO1979 -21.095 -11.443  -0.752
  702    HB2  PRO1979           HB2      PRO1979 -22.152 -10.418  -3.335
  703    HB3  PRO1979           HB1      PRO1979 -23.023 -10.888  -1.872
  704    HG2  PRO1979           HG2      PRO1979 -22.737  -8.328  -2.493
  705    HG3  PRO1979           HG1      PRO1979 -22.603  -8.874  -0.812
  706    HD2  PRO1979           HD2      PRO1979 -20.451  -8.107  -2.736
  707    HD3  PRO1979           HD1      PRO1979 -20.580  -7.773  -0.995
  708    H    THR1980           HN       THR1980 -19.365 -10.452  -3.584
  709    HA   THR1980           HA       THR1980 -19.511 -12.784  -5.093
  710    HB   THR1980           HB       THR1980 -17.416 -10.622  -4.977
  711    HG1  THR1980           HG1      THR1980 -18.922  -9.462  -5.805
  712   HG21  THR1980          HG21      THR1980 -16.635 -12.571  -6.312
  713   HG22  THR1980          HG22      THR1980 -16.992 -11.160  -7.318
  714   HG23  THR1980          HG23      THR1980 -18.134 -12.497  -7.257
  715    H    ASP1981           HN       ASP1981 -17.334 -11.844  -2.418
  716    HA   ASP1981           HA       ASP1981 -16.575 -14.573  -2.108
  717    HB2  ASP1981           HB2      ASP1981 -14.854 -13.706  -3.750
  718    HB3  ASP1981           HB1      ASP1981 -14.333 -12.576  -2.505
  719    H    LEU1982           HN       LEU1982 -16.934 -14.859  -0.127
  720    HA   LEU1982           HA       LEU1982 -16.834 -12.668   1.814
  721    HB2  LEU1982           HB2      LEU1982 -17.875 -15.480   2.152
  722    HB3  LEU1982           HB1      LEU1982 -18.135 -14.132   3.228
  723    HG   LEU1982           HG       LEU1982 -19.437 -13.093   1.257
  724   HD11  LEU1982          HD11      LEU1982 -20.581 -14.876  -0.132
  725   HD12  LEU1982          HD12      LEU1982 -19.205 -15.920   0.295
  726   HD13  LEU1982          HD13      LEU1982 -18.951 -14.411  -0.577
  727   HD21  LEU1982          HD21      LEU1982 -20.450 -13.836   3.311
  728   HD22  LEU1982          HD22      LEU1982 -20.486 -15.499   2.718
  729   HD23  LEU1982          HD23      LEU1982 -21.474 -14.256   1.937
  730    H    LYS1983           HN       LYS1983 -15.287 -15.410   0.722
  731    HA   LYS1983           HA       LYS1983 -13.955 -16.168   3.193
  732    HB2  LYS1983           HB2      LYS1983 -14.232 -17.298   0.447
  733    HB3  LYS1983           HB1      LYS1983 -13.120 -18.028   1.626
  734    HG2  LYS1983           HG2      LYS1983 -15.079 -18.451   3.059
  735    HG3  LYS1983           HG1      LYS1983 -16.111 -17.710   1.832
  736    HD2  LYS1983           HD2      LYS1983 -15.424 -19.418   0.222
  737    HD3  LYS1983           HD1      LYS1983 -14.392 -20.160   1.446
  738    HE2  LYS1983           HE2      LYS1983 -17.385 -19.839   1.639
  739    HE3  LYS1983           HE1      LYS1983 -16.551 -21.322   1.183
  740    HZ1  LYS1983           HZ1      LYS1983 -17.209 -21.304   3.508
  741    HZ2  LYS1983           HZ2      LYS1983 -16.261 -19.933   3.799
  742    HZ3  LYS1983           HZ3      LYS1983 -15.520 -21.381   3.356
  743    H    MET1984           HN       MET1984 -13.458 -13.701   1.547
  744    HA   MET1984           HA       MET1984 -10.857 -14.145   0.453
  745    HB2  MET1984           HB2      MET1984 -11.004 -11.899  -0.432
  746    HB3  MET1984           HB1      MET1984 -12.465 -12.779  -0.823
  747    HG2  MET1984           HG2      MET1984 -13.667 -11.593   0.918
  748    HG3  MET1984           HG1      MET1984 -12.197 -10.749   1.388
  749    HE1  MET1984           HE1      MET1984 -11.546  -9.068  -2.282
  750    HE2  MET1984           HE2      MET1984 -11.302 -10.779  -1.949
  751    HE3  MET1984           HE3      MET1984 -10.733  -9.578  -0.792
  752    H    LYS1985           HN       LYS1985  -9.559 -14.351   1.876
  753    HA   LYS1985           HA       LYS1985  -9.394 -12.481   4.163
  754    HB2  LYS1985           HB2      LYS1985  -8.107 -15.171   3.746
  755    HB3  LYS1985           HB1      LYS1985  -7.672 -14.111   5.079
  756    HG2  LYS1985           HG2      LYS1985  -9.942 -14.183   5.922
  757    HG3  LYS1985           HG1      LYS1985 -10.442 -15.165   4.543
  758    HD2  LYS1985           HD2      LYS1985  -9.041 -16.973   5.254
  759    HD3  LYS1985           HD1      LYS1985  -8.332 -15.984   6.532
  760    HE2  LYS1985           HE2      LYS1985 -10.003 -17.556   7.404
  761    HE3  LYS1985           HE1      LYS1985 -10.467 -15.882   7.675
  762    HZ1  LYS1985           HZ1      LYS1985 -12.289 -17.303   6.930
  763    HZ2  LYS1985           HZ2      LYS1985 -11.507 -17.554   5.439
  764    HZ3  LYS1985           HZ3      LYS1985 -12.034 -16.026   5.865
  765    H    HIS1986           HN       HIS1986  -8.693 -11.637   1.627
  766    HA   HIS1986           HA       HIS1986  -6.354 -10.180   2.253
  767    HB2  HIS1986           HB2      HIS1986  -6.324 -11.954  -0.231
  768    HB3  HIS1986           HB1      HIS1986  -5.271 -10.569  -0.021
  769    HD1  HIS1986           HD1      HIS1986  -3.944 -10.971   2.633
  770    HD2  HIS1986           HD2      HIS1986  -4.961 -14.189   0.207
  771    HE1  HIS1986           HE1      HIS1986  -2.379 -12.808   3.255
  772    HE2  HIS1986           HE2      HIS1986  -3.379 -14.805   2.119
  773    H    LYS1987           HN       LYS1987  -6.621  -8.172   1.376
  774    HA   LYS1987           HA       LYS1987  -8.941  -7.924  -0.411
  775    HB2  LYS1987           HB2      LYS1987  -8.101  -6.134   1.838
  776    HB3  LYS1987           HB1      LYS1987  -9.361  -5.739   0.681
  777    HG2  LYS1987           HG2      LYS1987  -9.425  -8.180   2.446
  778    HG3  LYS1987           HG1      LYS1987 -10.158  -6.640   2.879
  779    HD2  LYS1987           HD2      LYS1987 -10.865  -8.357   0.495
  780    HD3  LYS1987           HD1      LYS1987 -11.821  -8.167   1.963
  781    HE2  LYS1987           HE2      LYS1987 -12.020  -5.735   1.445
  782    HE3  LYS1987           HE1      LYS1987 -11.176  -6.029  -0.071
  783    HZ1  LYS1987           HZ1      LYS1987 -13.466  -6.033  -0.554
  784    HZ2  LYS1987           HZ2      LYS1987 -13.834  -6.961   0.770
  785    HZ3  LYS1987           HZ3      LYS1987 -13.035  -7.682  -0.556
  786    H    SER1988           HN       SER1988  -5.709  -6.735   0.305
  787    HA   SER1988           HA       SER1988  -5.641  -5.697  -2.369
  788    HB2  SER1988           HB2      SER1988  -4.559  -3.568  -1.483
  789    HB3  SER1988           HB1      SER1988  -6.310  -3.727  -1.254
  790    HG   SER1988           HG       SER1988  -5.663  -4.628   0.889
  791    H    TYR1989           HN       TYR1989  -3.713  -5.844  -3.306
  792    HA   TYR1989           HA       TYR1989  -1.510  -6.966  -1.737
  793    HB2  TYR1989           HB2      TYR1989  -2.361  -7.409  -4.596
  794    HB3  TYR1989           HB1      TYR1989  -0.759  -7.833  -4.017
  795    HD1  TYR1989           HD1      TYR1989  -4.354  -8.549  -3.692
  796    HD2  TYR1989           HD2      TYR1989  -0.418  -9.851  -2.750
  797    HE1  TYR1989           HE1      TYR1989  -5.255 -10.712  -2.962
  798    HE2  TYR1989           HE2      TYR1989  -1.307 -12.019  -2.017
  799    HH   TYR1989           HH       TYR1989  -3.340 -12.967  -1.249
  800    H    PHE1990           HN       PHE1990   0.076  -5.570  -1.475
  801    HA   PHE1990           HA       PHE1990   0.423  -3.440  -3.443
  802    HB2  PHE1990           HB2      PHE1990   1.202  -3.654  -0.541
  803    HB3  PHE1990           HB1      PHE1990   1.766  -2.373  -1.602
  804    HD1  PHE1990           HD1      PHE1990  -1.267  -3.882  -0.109
  805    HD2  PHE1990           HD2      PHE1990   0.473  -0.493  -1.993
  806    HE1  PHE1990           HE1      PHE1990  -3.256  -2.561   0.435
  807    HE2  PHE1990           HE2      PHE1990  -1.517   0.833  -1.450
  808    HZ   PHE1990           HZ       PHE1990  -3.384  -0.201  -0.235
  809    H    SER1991           HN       SER1991   2.006  -3.788  -4.793
  810    HA   SER1991           HA       SER1991   4.313  -5.342  -3.909
  811    HB2  SER1991           HB2      SER1991   3.409  -4.633  -6.711
  812    HB3  SER1991           HB1      SER1991   4.752  -5.698  -6.285
  813    HG   SER1991           HG       SER1991   2.355  -6.307  -5.100
  814    H    PHE1992           HN       PHE1992   5.805  -4.031  -3.118
  815    HA   PHE1992           HA       PHE1992   6.140  -1.361  -4.173
  816    HB2  PHE1992           HB2      PHE1992   7.367  -2.740  -1.764
  817    HB3  PHE1992           HB1      PHE1992   7.593  -1.044  -2.203
  818    HD1  PHE1992           HD2      PHE1992   5.633   0.508  -2.126
  819    HD2  PHE1992           HD1      PHE1992   5.483  -3.461  -0.669
  820    HE1  PHE1992           HE2      PHE1992   3.640   1.075  -0.799
  821    HE2  PHE1992           HE1      PHE1992   3.521  -2.931   0.673
  822    HZ   PHE1992           HZ       PHE1992   2.470  -0.553   0.395
  823    H    VAL1993           HN       VAL1993   7.368  -1.241  -5.821
  824    HA   VAL1993           HA       VAL1993   9.595  -3.080  -6.024
  825    HB   VAL1993           HB       VAL1993   8.149  -3.725  -7.756
  826   HG11  VAL1993          HG11      VAL1993   7.753  -0.829  -8.462
  827   HG12  VAL1993          HG12      VAL1993   6.601  -1.922  -7.675
  828   HG13  VAL1993          HG13      VAL1993   7.095  -2.218  -9.340
  829   HG21  VAL1993          HG21      VAL1993  10.435  -3.461  -8.580
  830   HG22  VAL1993          HG22      VAL1993  10.067  -1.784  -9.014
  831   HG23  VAL1993          HG23      VAL1993   9.260  -3.102  -9.854
  832    H    CYS1994           HN       CYS1994  11.482  -2.399  -6.149
  833    HA   CYS1994           HA       CYS1994  12.285   0.140  -5.505
  834    HB2  CYS1994           HB2      CYS1994  14.524  -1.143  -6.471
  835    HB3  CYS1994           HB1      CYS1994  13.825  -1.257  -4.879
  836    H    LYS1995           HN       LYS1995  12.067   1.812  -6.699
  837    HA   LYS1995           HA       LYS1995  13.335   1.883  -9.315
  838    HB2  LYS1995           HB2      LYS1995  10.866   1.689  -9.688
  839    HB3  LYS1995           HB1      LYS1995  10.643   3.161  -8.754
  840    HG2  LYS1995           HG2      LYS1995  12.008   4.377 -10.417
  841    HG3  LYS1995           HG1      LYS1995  12.118   2.895 -11.367
  842    HD2  LYS1995           HD2      LYS1995   9.657   2.860 -11.535
  843    HD3  LYS1995           HD1      LYS1995   9.594   4.384 -10.652
  844    HE2  LYS1995           HE2      LYS1995   9.390   4.864 -12.987
  845    HE3  LYS1995           HE1      LYS1995  10.976   5.409 -12.449
  846    HZ1  LYS1995           HZ1      LYS1995  10.445   2.843 -13.864
  847    HZ2  LYS1995           HZ2      LYS1995  11.955   3.397 -13.425
  848    HZ3  LYS1995           HZ3      LYS1995  11.042   4.236 -14.584
  849    H    SER1996           HN       SER1996  15.041   2.894  -8.310
  850    HA   SER1996           HA       SER1996  14.986   5.088  -6.601
  851    HB2  SER1996           HB2      SER1996  17.062   4.279  -8.635
  852    HB3  SER1996           HB1      SER1996  17.326   5.397  -7.293
  853    HG   SER1996           HG       SER1996  17.461   3.804  -5.980
  854    H    ASP1997           HN       ASP1997  14.533   4.904 -10.013
  855    HA   ASP1997           HA       ASP1997  14.986   7.581 -10.747
  856    HB2  ASP1997           HB2      ASP1997  14.683   5.880 -12.449
  857    HB3  ASP1997           HB1      ASP1997  13.036   5.574 -11.905
  858    H    ALA1998           HN       ALA1998  12.324   6.068  -9.126
  859    HA   ALA1998           HA       ALA1998  10.711   8.504  -9.301
  860    HB1  ALA1998           HB1      ALA1998  10.006   5.714  -8.371
  861    HB2  ALA1998           HB2      ALA1998   9.614   6.411  -9.941
  862    HB3  ALA1998           HB3      ALA1998   8.889   7.075  -8.476
  863    H    GLY1999           HN       GLY1999  13.096   8.353  -7.744
  864    HA2  GLY1999           HA2      GLY1999  12.631   7.798  -5.026
  865    HA3  GLY1999           HA1      GLY1999  13.920   8.803  -5.665
  866    H    ASP2000           HN       ASP2000  11.897  10.642  -6.936
  867    HA   ASP2000           HA       ASP2000  11.523  12.207  -4.508
  868    HB2  ASP2000           HB2      ASP2000  12.519  13.371  -6.431
  869    HB3  ASP2000           HB1      ASP2000  11.071  13.037  -7.385
  870    H    ASP2001           HN       ASP2001   9.598  11.170  -7.260
  871    HA   ASP2001           HA       ASP2001   7.333  11.215  -5.465
  872    HB2  ASP2001           HB2      ASP2001   5.787  11.828  -7.256
  873    HB3  ASP2001           HB1      ASP2001   6.978  13.094  -7.019
  874    H    SER2002           HN       SER2002   7.717   9.266  -4.949
  875    HA   SER2002           HA       SER2002   7.827   7.080  -6.703
  876    HB2  SER2002           HB2      SER2002   6.931   7.209  -3.820
  877    HB3  SER2002           HB1      SER2002   7.456   5.766  -4.687
  878    HG   SER2002           HG       SER2002   9.385   7.451  -5.027
  879    H    GLN2003           HN       GLN2003   6.238   6.630  -8.023
  880    HA   GLN2003           HA       GLN2003   3.534   7.463  -7.425
  881    HB2  GLN2003           HB2      GLN2003   3.032   6.752  -9.743
  882    HB3  GLN2003           HB1      GLN2003   4.223   8.035  -9.597
  883    HG2  GLN2003           HG2      GLN2003   6.026   6.559 -10.060
  884    HG3  GLN2003           HG1      GLN2003   4.989   5.146  -9.925
  885   HE21  GLN2003          HE21      GLN2003   3.879   7.988 -11.573
  886   HE22  GLN2003          HE22      GLN2003   3.997   7.361 -13.169
  887    HA   PRO2004           HA       PRO2004   2.268   3.316  -6.488
  888    HB2  PRO2004           HB2      PRO2004  -0.270   4.340  -5.688
  889    HB3  PRO2004           HB1      PRO2004   1.080   3.912  -4.636
  890    HG2  PRO2004           HG2      PRO2004   0.117   6.497  -5.014
  891    HG3  PRO2004           HG1      PRO2004   1.718   6.080  -4.385
  892    HD2  PRO2004           HD2      PRO2004   0.918   6.869  -7.157
  893    HD3  PRO2004           HD1      PRO2004   2.372   7.310  -6.232
  894    H    VAL2005           HN       VAL2005   2.049   2.505  -8.530
  895    HA   VAL2005           HA       VAL2005  -0.110   3.437 -10.234
  896    HB   VAL2005           HB       VAL2005   1.992   1.318 -10.757
  897   HG11  VAL2005          HG11      VAL2005   0.008   1.065 -12.139
  898   HG12  VAL2005          HG12      VAL2005   1.384   1.592 -13.104
  899   HG13  VAL2005          HG13      VAL2005   0.131   2.749 -12.651
  900   HG21  VAL2005          HG21      VAL2005   3.131   3.017 -12.103
  901   HG22  VAL2005          HG22      VAL2005   3.026   3.490 -10.406
  902   HG23  VAL2005          HG23      VAL2005   1.942   4.215 -11.594
  903    H    PHE2006           HN       PHE2006  -1.980   2.429 -10.238
  904    HA   PHE2006           HA       PHE2006  -2.162  -0.053  -8.803
  905    HB2  PHE2006           HB2      PHE2006  -4.603   0.171  -9.011
  906    HB3  PHE2006           HB1      PHE2006  -3.888   1.604  -8.314
  907    HD1  PHE2006           HD2      PHE2006  -3.573   3.631  -9.903
  908    HD2  PHE2006           HD1      PHE2006  -6.070   0.299 -10.785
  909    HE1  PHE2006           HE2      PHE2006  -4.825   4.998 -11.516
  910    HE2  PHE2006           HE1      PHE2006  -7.327   1.664 -12.394
  911    HZ   PHE2006           HZ       PHE2006  -6.706   4.015 -12.761
  912    H    LEU2007           HN       LEU2007  -2.280  -1.960  -9.681
  913    HA   LEU2007           HA       LEU2007  -1.904  -2.261 -12.485
  914    HB2  LEU2007           HB2      LEU2007  -2.661  -4.308 -10.371
  915    HB3  LEU2007           HB1      LEU2007  -2.400  -4.718 -12.049
  916    HG   LEU2007           HG       LEU2007  -0.021  -3.917 -11.777
  917   HD11  LEU2007          HD11      LEU2007  -0.705  -3.951  -8.849
  918   HD12  LEU2007          HD12      LEU2007  -0.324  -2.525  -9.810
  919   HD13  LEU2007          HD13      LEU2007   0.908  -3.752  -9.540
  920   HD21  LEU2007          HD21      LEU2007   0.714  -5.949 -10.634
  921   HD22  LEU2007          HD22      LEU2007  -0.590  -6.270 -11.777
  922   HD23  LEU2007          HD23      LEU2007  -0.930  -6.207 -10.047
  923    H    SER2008           HN       SER2008  -4.539  -2.820 -10.223
  924    HA   SER2008           HA       SER2008  -6.485  -1.644 -11.765
  925    HB2  SER2008           HB2      SER2008  -6.044  -3.751 -13.189
  926    HB3  SER2008           HB1      SER2008  -6.666  -4.680 -11.830
  927    HG   SER2008           HG       SER2008  -8.010  -2.653 -13.265
  928    H    PHE2009           HN       PHE2009  -8.498  -1.778 -10.639
  929    HA   PHE2009           HA       PHE2009  -8.337  -3.086  -8.040
  930    HB2  PHE2009           HB2      PHE2009  -8.806  -0.688  -7.837
  931    HB3  PHE2009           HB1      PHE2009 -10.067  -0.800  -9.058
  932    HD1  PHE2009           HD1      PHE2009  -9.151  -2.124  -5.693
  933    HD2  PHE2009           HD2      PHE2009 -12.274  -1.056  -8.377
  934    HE1  PHE2009           HE1      PHE2009 -10.804  -2.495  -3.911
  935    HE2  PHE2009           HE2      PHE2009 -13.932  -1.430  -6.600
  936    HZ   PHE2009           HZ       PHE2009 -13.228  -2.214  -4.405
  937    H    ASP2010           HN       ASP2010  -9.321  -4.962  -8.092
  938    HA   ASP2010           HA       ASP2010 -11.139  -5.585 -10.248
  939    HB2  ASP2010           HB2      ASP2010  -9.482  -7.264  -9.476
  940    HB3  ASP2010           HB1      ASP2010 -10.234  -7.253  -7.884
  941    H    GLU2011           HN       GLU2011 -13.183  -5.044 -10.043
  942    HA   GLU2011           HA       GLU2011 -14.172  -4.420  -7.372
  943    HB2  GLU2011           HB2      GLU2011 -16.001  -3.279  -8.482
  944    HB3  GLU2011           HB1      GLU2011 -14.460  -2.727  -9.115
  945    HG2  GLU2011           HG2      GLU2011 -14.782  -4.238 -11.051
  946    HG3  GLU2011           HG1      GLU2011 -16.362  -4.648 -10.398
  947    H    GLN2012           HN       GLN2012 -14.063  -7.006  -9.333
  948    HA   GLN2012           HA       GLN2012 -16.706  -8.023  -9.006
  949    HB2  GLN2012           HB2      GLN2012 -15.255  -8.777 -10.841
  950    HB3  GLN2012           HB1      GLN2012 -14.083  -9.383  -9.687
  951    HG2  GLN2012           HG2      GLN2012 -15.314 -11.215 -10.609
  952    HG3  GLN2012           HG1      GLN2012 -15.746 -11.026  -8.910
  953   HE21  GLN2012          HE21      GLN2012 -16.817 -10.775 -12.173
  954   HE22  GLN2012          HE22      GLN2012 -18.500 -10.590 -11.818
  955    H    THR2013           HN       THR2013 -13.575  -8.997  -7.657
  956    HA   THR2013           HA       THR2013 -15.004 -10.214  -5.420
  957    HB   THR2013           HB       THR2013 -13.327 -11.612  -6.573
  958    HG1  THR2013           HG1      THR2013 -13.309 -12.382  -4.709
  959   HG21  THR2013          HG21      THR2013 -10.930 -11.133  -6.421
  960   HG22  THR2013          HG22      THR2013 -11.295  -9.584  -5.664
  961   HG23  THR2013          HG23      THR2013 -11.784  -9.886  -7.331
  962    H    CYS2014           HN       CYS2014 -13.560  -7.362  -6.239
  963    HA   CYS2014           HA       CYS2014 -13.052  -5.451  -5.175
  964    HB2  CYS2014           HB2      CYS2014 -13.854  -6.740  -2.561
  965    HB3  CYS2014           HB1      CYS2014 -13.712  -5.025  -2.898
  966    H    THR2015           HN       THR2015 -10.949  -6.391  -5.836
  967    HA   THR2015           HA       THR2015  -9.235  -6.511  -3.480
  968    HB   THR2015           HB       THR2015  -8.870  -8.236  -5.952
  969    HG1  THR2015           HG1      THR2015 -10.413  -8.492  -3.867
  970   HG21  THR2015          HG21      THR2015  -7.369  -8.180  -3.315
  971   HG22  THR2015          HG22      THR2015  -6.747  -7.583  -4.852
  972   HG23  THR2015          HG23      THR2015  -7.078  -9.304  -4.644
  973    H    SER2016           HN       SER2016  -7.715  -5.096  -3.512
  974    HA   SER2016           HA       SER2016  -7.364  -3.422  -5.849
  975    HB2  SER2016           HB2      SER2016  -6.309  -3.156  -3.045
  976    HB3  SER2016           HB1      SER2016  -6.425  -1.894  -4.275
  977    HG   SER2016           HG       SER2016  -8.753  -2.349  -4.217
  978    H    TYR2017           HN       TYR2017  -5.512  -3.558  -7.102
  979    HA   TYR2017           HA       TYR2017  -3.197  -5.004  -5.988
  980    HB2  TYR2017           HB2      TYR2017  -4.017  -4.730  -8.901
  981    HB3  TYR2017           HB1      TYR2017  -2.630  -5.624  -8.295
  982    HD1  TYR2017           HD2      TYR2017  -2.955  -7.787  -7.155
  983    HD2  TYR2017           HD1      TYR2017  -6.241  -5.630  -8.790
  984    HE1  TYR2017           HE2      TYR2017  -4.350  -9.806  -7.013
  985    HE2  TYR2017           HE1      TYR2017  -7.638  -7.637  -8.651
  986    HH   TYR2017           HH       TYR2017  -6.692 -10.425  -6.914
  987    H    PHE2018           HN       PHE2018  -1.590  -3.578  -5.529
  988    HA   PHE2018           HA       PHE2018  -1.354  -1.229  -7.286
  989    HB2  PHE2018           HB2      PHE2018  -0.991  -1.232  -4.283
  990    HB3  PHE2018           HB1      PHE2018  -0.703   0.137  -5.351
  991    HD1  PHE2018           HD2      PHE2018  -2.751   0.779  -6.856
  992    HD2  PHE2018           HD1      PHE2018  -2.996  -1.391  -3.230
  993    HE1  PHE2018           HE2      PHE2018  -5.092   1.458  -6.609
  994    HE2  PHE2018           HE1      PHE2018  -5.336  -0.714  -2.967
  995    HZ   PHE2018           HZ       PHE2018  -6.402   0.694  -4.695
  996    H    SER2019           HN       SER2019   0.645  -0.512  -7.730
  997    HA   SER2019           HA       SER2019   2.895  -2.004  -6.648
  998    HB2  SER2019           HB2      SER2019   3.919  -1.880  -8.970
  999    HB3  SER2019           HB1      SER2019   2.523  -2.938  -8.840
 1000    HG   SER2019           HG       SER2019   1.415  -0.747  -9.497
 1001    H    TRP2020           HN       TRP2020   4.115  -0.614  -5.603
 1002    HA   TRP2020           HA       TRP2020   3.898   2.205  -6.344
 1003    HB2  TRP2020           HB2      TRP2020   3.323   1.511  -3.980
 1004    HB3  TRP2020           HB1      TRP2020   5.004   1.024  -3.779
 1005    HD1  TRP2020           HD1      TRP2020   3.704   4.251  -5.368
 1006    HE1  TRP2020           HE1      TRP2020   4.587   6.270  -4.077
 1007    HE3  TRP2020           HE3      TRP2020   6.067   1.810  -1.567
 1008    HZ2  TRP2020           HZ2      TRP2020   6.095   6.780  -1.756
 1009    HZ3  TRP2020           HZ3      TRP2020   7.211   3.150   0.149
 1010    HH2  TRP2020           HH2      TRP2020   7.224   5.580   0.055
 1011    H    HIS2021           HN       HIS2021   5.382   2.842  -7.652
 1012    HA   HIS2021           HA       HIS2021   7.954   1.526  -7.915
 1013    HB2  HIS2021           HB2      HIS2021   6.868   4.019  -9.290
 1014    HB3  HIS2021           HB1      HIS2021   8.362   3.202  -9.707
 1015    HD1  HIS2021           HD1      HIS2021   6.191   3.648 -11.876
 1016    HD2  HIS2021           HD2      HIS2021   6.489   0.191  -9.566
 1017    HE1  HIS2021           HE1      HIS2021   5.072   1.873 -13.180
 1018    HE2  HIS2021           HE2      HIS2021   5.027  -0.115 -11.699
 1019    H    THR2022           HN       THR2022   9.209   1.960  -6.161
 1020    HA   THR2022           HA       THR2022   9.769   4.745  -5.553
 1021    HB   THR2022           HB       THR2022   7.905   4.152  -4.096
 1022    HG1  THR2022           HG1      THR2022   9.283   5.521  -3.141
 1023   HG21  THR2022          HG21      THR2022   8.184   2.405  -2.395
 1024   HG22  THR2022          HG22      THR2022   9.706   1.910  -3.158
 1025   HG23  THR2022          HG23      THR2022   8.173   1.768  -4.033
 1026    H    SER2023           HN       SER2023  11.796   5.028  -4.428
 1027    HA   SER2023           HA       SER2023  13.664   2.931  -4.799
 1028    HB2  SER2023           HB2      SER2023  15.178   4.610  -3.638
 1029    HB3  SER2023           HB1      SER2023  14.413   5.172  -5.128
 1030    HG   SER2023           HG       SER2023  14.273   6.110  -2.643
 1031    H    LEU2024           HN       LEU2024  11.586   4.029  -2.255
 1032    HA   LEU2024           HA       LEU2024  12.872   3.118   0.083
 1033    HB2  LEU2024           HB2      LEU2024   9.967   3.560  -0.593
 1034    HB3  LEU2024           HB1      LEU2024  10.453   2.965   0.971
 1035    HG   LEU2024           HG       LEU2024   9.928   5.330   1.038
 1036   HD11  LEU2024          HD11      LEU2024  11.943   6.172   2.104
 1037   HD12  LEU2024          HD12      LEU2024  12.844   4.804   1.445
 1038   HD13  LEU2024          HD13      LEU2024  11.542   4.527   2.602
 1039   HD21  LEU2024          HD21      LEU2024  10.488   5.985  -1.243
 1040   HD22  LEU2024          HD22      LEU2024  12.199   5.721  -0.911
 1041   HD23  LEU2024          HD23      LEU2024  11.329   7.008  -0.076
 1042    H    ALA2025           HN       ALA2025  11.358   1.410  -2.398
 1043    HA   ALA2025           HA       ALA2025  10.314  -0.807  -0.984
 1044    HB1  ALA2025           HB1      ALA2025   9.565  -0.162  -3.198
 1045    HB2  ALA2025           HB2      ALA2025  10.089  -1.846  -3.139
 1046    HB3  ALA2025           HB3      ALA2025  11.132  -0.619  -3.857
 1047    H    CYS2026           HN       CYS2026  13.206  -0.672  -3.114
 1048    HA   CYS2026           HA       CYS2026  14.403  -2.701  -1.364
 1049    HB2  CYS2026           HB2      CYS2026  15.108  -2.749  -4.201
 1050    HB3  CYS2026           HB1      CYS2026  15.027  -4.083  -3.068
 1051    H    GLU2027           HN       GLU2027  16.035  -1.611  -0.597
 1052    HA   GLU2027           HA       GLU2027  18.013  -0.534  -0.427
 1053    HB2  GLU2027           HB2      GLU2027  18.765  -2.101  -2.159
 1054    HB3  GLU2027           HB1      GLU2027  18.170  -1.025  -3.409
 1055    HG2  GLU2027           HG2      GLU2027  19.833   0.641  -2.740
 1056    HG3  GLU2027           HG1      GLU2027  20.425  -0.468  -1.498
 1057    H    GLU2028           HN       GLU2028  16.710   1.169   0.147
 1058    HA   GLU2028           HA       GLU2028  15.857   3.224  -1.574
 1059    HB2  GLU2028           HB2      GLU2028  15.267   2.771   0.927
 1060    HB3  GLU2028           HB1      GLU2028  16.674   3.766   1.262
 1061    HG2  GLU2028           HG2      GLU2028  14.143   4.558  -0.152
 1062    HG3  GLU2028           HG1      GLU2028  14.725   5.133   1.398
 1063    H    GLU2029           HN       GLU2029  17.288   4.072  -2.890
 1064    HA   GLU2029           HA       GLU2029  19.023   5.993  -1.826
 1065    HB2  GLU2029           HB2      GLU2029  20.529   3.980  -1.807
 1066    HB3  GLU2029           HB1      GLU2029  20.293   3.839  -3.545
 1067    HG2  GLU2029           HG2      GLU2029  22.408   4.968  -2.934
 1068    HG3  GLU2029           HG1      GLU2029  21.343   5.974  -3.917
 1069    H    VAL2030           HN       VAL2030  19.356   7.539  -3.262
 1070    HA   VAL2030           HA       VAL2030  18.047   7.247  -5.873
 1071    HB   VAL2030           HB       VAL2030  18.275   9.748  -4.133
 1072   HG11  VAL2030          HG11      VAL2030  16.835   9.370  -6.748
 1073   HG12  VAL2030          HG12      VAL2030  18.309  10.304  -6.489
 1074   HG13  VAL2030          HG13      VAL2030  16.796  10.823  -5.748
 1075   HG21  VAL2030          HG21      VAL2030  15.843   8.079  -4.764
 1076   HG22  VAL2030          HG22      VAL2030  15.837   9.601  -3.876
 1077   HG23  VAL2030          HG23      VAL2030  16.654   8.192  -3.203
 1078    HA   PRO2031           HA       PRO2031  22.450   7.974  -6.610
 1079    HB2  PRO2031           HB2      PRO2031  22.618   6.579  -8.925
 1080    HB3  PRO2031           HB1      PRO2031  22.635   5.815  -7.335
 1081    HG2  PRO2031           HG2      PRO2031  20.469   5.942  -9.346
 1082    HG3  PRO2031           HG1      PRO2031  20.807   4.705  -8.129
 1083    HD2  PRO2031           HD2      PRO2031  18.857   6.732  -7.967
 1084    HD3  PRO2031           HD1      PRO2031  19.389   5.680  -6.649
 1085    H    ARG2032           HN       ARG2032  19.740   8.835  -8.588
 1086    HA   ARG2032           HA       ARG2032  21.481  10.666 -10.059
 1087    HB2  ARG2032           HB2      ARG2032  18.744   9.657 -10.878
 1088    HB3  ARG2032           HB1      ARG2032  19.757  10.762 -11.795
 1089    HG2  ARG2032           HG2      ARG2032  21.464   8.939 -11.921
 1090    HG3  ARG2032           HG1      ARG2032  20.257   7.862 -11.215
 1091    HD2  ARG2032           HD2      ARG2032  20.025   9.384 -13.802
 1092    HD3  ARG2032           HD1      ARG2032  20.294   7.657 -13.629
 1093    HE   ARG2032           HE       ARG2032  17.856   8.692 -12.425
 1094   HH11  ARG2032          HH11      ARG2032  19.355   7.015 -15.163
 1095   HH12  ARG2032          HH12      ARG2032  17.880   6.597 -15.885
 1096   HH21  ARG2032          HH21      ARG2032  15.818   8.067 -13.420
 1097   HH22  ARG2032          HH22      ARG2032  15.853   7.176 -14.866
  Start of MODEL   10
    1    H1   MET1885           HT1      MET1885  17.209  12.832   4.659
    2    H2   MET1885           HT2      MET1885  17.269  11.688   5.887
    3    H3   MET1885           HT3      MET1885  15.989  12.798   5.847
    4    HA   MET1885           HA       MET1885  15.120  11.785   3.897
    5    HB2  MET1885           HB2      MET1885  17.549  10.012   4.174
    6    HB3  MET1885           HB1      MET1885  16.126   9.517   3.278
    7    HG2  MET1885           HG2      MET1885  17.782  11.950   2.677
    8    HG3  MET1885           HG1      MET1885  17.934  10.391   1.863
    9    HE1  MET1885           HE1      MET1885  16.254  12.586  -0.896
   10    HE2  MET1885           HE2      MET1885  17.567  11.469  -0.523
   11    HE3  MET1885           HE3      MET1885  17.507  13.051   0.257
   12    H    LYS1886           HN       LYS1886  13.763   9.931   4.002
   13    HA   LYS1886           HA       LYS1886  12.510   8.382   4.893
   14    HB2  LYS1886           HB2      LYS1886  14.764   7.916   6.846
   15    HB3  LYS1886           HB1      LYS1886  13.342   6.893   6.705
   16    HG2  LYS1886           HG2      LYS1886  13.948   6.466   4.331
   17    HG3  LYS1886           HG1      LYS1886  15.442   7.370   4.599
   18    HD2  LYS1886           HD2      LYS1886  16.083   5.779   6.340
   19    HD3  LYS1886           HD1      LYS1886  14.584   4.888   6.084
   20    HE2  LYS1886           HE2      LYS1886  15.286   4.505   3.726
   21    HE3  LYS1886           HE1      LYS1886  16.832   5.262   4.112
   22    HZ1  LYS1886           HZ1      LYS1886  15.705   2.836   5.374
   23    HZ2  LYS1886           HZ2      LYS1886  17.186   3.515   5.796
   24    HZ3  LYS1886           HZ3      LYS1886  16.963   2.833   4.260
   25    H    SER1887           HN       SER1887  10.764   8.903   5.652
   26    HA   SER1887           HA       SER1887  10.382  10.807   7.754
   27    HB2  SER1887           HB2      SER1887   8.843  10.609   5.798
   28    HB3  SER1887           HB1      SER1887   8.354   9.022   6.362
   29    HG   SER1887           HG       SER1887   6.818  10.425   7.005
   30    H    ASN1888           HN       ASN1888   8.220   9.819   9.164
   31    HA   ASN1888           HA       ASN1888   9.570   8.535  11.295
   32    HB2  ASN1888           HB2      ASN1888   7.487   8.704  12.533
   33    HB3  ASN1888           HB1      ASN1888   7.815  10.213  11.690
   34   HD21  ASN1888          HD21      ASN1888   5.644   7.625  12.190
   35   HD22  ASN1888          HD22      ASN1888   4.433   8.153  11.092
   36    H    VAL1889           HN       VAL1889   8.787   6.722  12.471
   37    HA   VAL1889           HA       VAL1889   7.989   4.475  10.752
   38    HB   VAL1889           HB       VAL1889   9.679   4.573  13.217
   39   HG11  VAL1889          HG11      VAL1889   8.461   2.478  13.113
   40   HG12  VAL1889          HG12      VAL1889  10.172   2.182  12.787
   41   HG13  VAL1889          HG13      VAL1889   9.012   2.211  11.459
   42   HG21  VAL1889          HG21      VAL1889  10.899   5.466  11.343
   43   HG22  VAL1889          HG22      VAL1889  10.497   4.053  10.369
   44   HG23  VAL1889          HG23      VAL1889  11.561   3.887  11.769
   45    H    GLN1890           HN       GLN1890   6.351   3.187  11.512
   46    HA   GLN1890           HA       GLN1890   4.943   4.228  13.823
   47    HB2  GLN1890           HB2      GLN1890   4.140   2.266  11.696
   48    HB3  GLN1890           HB1      GLN1890   3.140   2.535  13.135
   49    HG2  GLN1890           HG2      GLN1890   3.973   4.478  11.044
   50    HG3  GLN1890           HG1      GLN1890   2.371   3.765  11.201
   51   HE21  GLN1890          HE21      GLN1890   0.977   4.480  12.919
   52   HE22  GLN1890          HE22      GLN1890   1.300   5.926  13.764
   53    H    ASN1891           HN       ASN1891   5.063   0.845  12.860
   54    HA   ASN1891           HA       ASN1891   6.023   0.286  15.582
   55    HB2  ASN1891           HB2      ASN1891   3.804  -0.676  14.982
   56    HB3  ASN1891           HB1      ASN1891   4.568  -1.570  13.682
   57   HD21  ASN1891          HD21      ASN1891   6.046  -1.139  16.868
   58   HD22  ASN1891          HD22      ASN1891   5.881  -2.774  17.351
   59    H    ASP1892           HN       ASP1892   6.240  -1.007  12.278
   60    HA   ASP1892           HA       ASP1892   9.113  -1.396  12.786
   61    HB2  ASP1892           HB2      ASP1892   7.328  -3.297  11.225
   62    HB3  ASP1892           HB1      ASP1892   9.083  -3.350  11.211
   63    H    CYS1893           HN       CYS1893   6.885  -1.733  10.039
   64    HA   CYS1893           HA       CYS1893   6.934  -0.910   7.911
   65    HB2  CYS1893           HB2      CYS1893   8.395   1.432   9.151
   66    HB3  CYS1893           HB1      CYS1893   7.474   1.440   7.650
   67    H    ARG1894           HN       ARG1894   9.268  -2.463   8.964
   68    HA   ARG1894           HA       ARG1894  11.420  -1.595   7.158
   69    HB2  ARG1894           HB2      ARG1894  11.680  -0.905   9.611
   70    HB3  ARG1894           HB1      ARG1894  11.742  -2.617   9.978
   71    HG2  ARG1894           HG2      ARG1894  13.957  -2.192   9.872
   72    HG3  ARG1894           HG1      ARG1894  13.677  -2.539   8.166
   73    HD2  ARG1894           HD2      ARG1894  14.985  -0.537   8.332
   74    HD3  ARG1894           HD1      ARG1894  13.366  -0.105   7.779
   75    HE   ARG1894           HE       ARG1894  13.388   0.071  10.552
   76   HH11  ARG1894          HH11      ARG1894  14.780   1.884   7.759
   77   HH12  ARG1894          HH12      ARG1894  15.053   3.286   8.682
   78   HH21  ARG1894          HH21      ARG1894  13.754   2.112  11.746
   79   HH22  ARG1894          HH22      ARG1894  14.489   3.408  10.937
   80    H    VAL1895           HN       VAL1895  12.342  -3.439   6.173
   81    HA   VAL1895           HA       VAL1895  12.241  -5.970   7.466
   82    HB   VAL1895           HB       VAL1895  10.000  -5.975   6.387
   83   HG11  VAL1895          HG11      VAL1895   9.772  -6.058   3.965
   84   HG12  VAL1895          HG12      VAL1895  11.489  -5.690   3.803
   85   HG13  VAL1895          HG13      VAL1895  10.401  -4.512   4.534
   86   HG21  VAL1895          HG21      VAL1895  11.141  -8.102   6.678
   87   HG22  VAL1895          HG22      VAL1895  11.949  -7.902   5.127
   88   HG23  VAL1895          HG23      VAL1895  10.201  -8.119   5.187
   89    H    THR1896           HN       THR1896  13.902  -7.197   6.876
   90    HA   THR1896           HA       THR1896  15.772  -6.059   4.928
   91    HB   THR1896           HB       THR1896  16.308  -8.359   6.801
   92    HG1  THR1896           HG1      THR1896  15.413  -6.711   8.051
   93   HG21  THR1896          HG21      THR1896  18.020  -7.776   5.127
   94   HG22  THR1896          HG22      THR1896  18.585  -7.412   6.760
   95   HG23  THR1896          HG23      THR1896  18.025  -6.111   5.710
   96    H    ASN1897           HN       ASN1897  16.293  -7.221   3.043
   97    HA   ASN1897           HA       ASN1897  14.892  -9.755   2.741
   98    HB2  ASN1897           HB2      ASN1897  15.415  -9.726   0.326
   99    HB3  ASN1897           HB1      ASN1897  14.650  -8.226   0.792
  100   HD21  ASN1897          HD21      ASN1897  15.471  -7.414  -1.236
  101   HD22  ASN1897          HD22      ASN1897  17.078  -6.906  -1.402
  102    HA   PRO1898           HA       PRO1898  18.653 -11.947   3.468
  103    HB2  PRO1898           HB2      PRO1898  17.784 -14.445   3.036
  104    HB3  PRO1898           HB1      PRO1898  17.218 -13.502   4.422
  105    HG2  PRO1898           HG2      PRO1898  15.836 -14.124   1.858
  106    HG3  PRO1898           HG1      PRO1898  15.170 -13.972   3.491
  107    HD2  PRO1898           HD2      PRO1898  15.102 -12.002   1.500
  108    HD3  PRO1898           HD1      PRO1898  14.803 -11.742   3.229
  109    H    ALA1899           HN       ALA1899  17.430 -11.320   0.584
  110    HA   ALA1899           HA       ALA1899  19.025 -13.140  -1.021
  111    HB1  ALA1899           HB1      ALA1899  17.229 -10.861  -1.865
  112    HB2  ALA1899           HB2      ALA1899  16.768 -12.560  -1.781
  113    HB3  ALA1899           HB3      ALA1899  17.987 -12.032  -2.946
  114    H    THR1900           HN       THR1900  18.654  -9.594  -0.814
  115    HA   THR1900           HA       THR1900  21.270  -9.213  -1.963
  116    HB   THR1900           HB       THR1900  19.307  -7.086  -1.035
  117    HG1  THR1900           HG1      THR1900  19.301  -8.747  -3.324
  118   HG21  THR1900          HG21      THR1900  20.292  -5.845  -2.873
  119   HG22  THR1900          HG22      THR1900  21.308  -7.227  -3.292
  120   HG23  THR1900          HG23      THR1900  21.556  -6.377  -1.762
  121    H    GLY1901           HN       GLY1901  19.598  -9.002   1.126
  122    HA2  GLY1901           HA2      GLY1901  20.518  -8.768   3.236
  123    HA3  GLY1901           HA1      GLY1901  22.071  -8.364   2.499
  124    H    HIS1902           HN       HIS1902  19.110  -6.955   1.500
  125    HA   HIS1902           HA       HIS1902  20.141  -4.426   2.476
  126    HB2  HIS1902           HB2      HIS1902  18.661  -5.036  -0.070
  127    HB3  HIS1902           HB1      HIS1902  18.607  -3.413   0.617
  128    HD1  HIS1902           HD1      HIS1902  19.959  -3.034  -1.895
  129    HD2  HIS1902           HD2      HIS1902  22.050  -4.754   1.282
  130    HE1  HIS1902           HE1      HIS1902  22.356  -2.769  -2.439
  131    HE2  HIS1902           HE2      HIS1902  23.573  -4.076  -0.660
  132    H    LEU1903           HN       LEU1903  18.886  -2.942   3.314
  133    HA   LEU1903           HA       LEU1903  16.683  -4.066   4.891
  134    HB2  LEU1903           HB2      LEU1903  18.613  -3.121   6.076
  135    HB3  LEU1903           HB1      LEU1903  18.357  -1.587   5.280
  136    HG   LEU1903           HG       LEU1903  16.161  -1.411   6.437
  137   HD11  LEU1903          HD11      LEU1903  15.762  -3.774   6.813
  138   HD12  LEU1903          HD12      LEU1903  15.715  -2.873   8.327
  139   HD13  LEU1903          HD13      LEU1903  17.135  -3.840   7.921
  140   HD21  LEU1903          HD21      LEU1903  18.147  -0.296   7.317
  141   HD22  LEU1903          HD22      LEU1903  18.568  -1.748   8.229
  142   HD23  LEU1903          HD23      LEU1903  17.103  -0.850   8.623
  143    H    PHE1904           HN       PHE1904  14.741  -3.681   4.012
  144    HA   PHE1904           HA       PHE1904  14.303  -1.248   2.474
  145    HB2  PHE1904           HB2      PHE1904  12.593  -3.713   2.853
  146    HB3  PHE1904           HB1      PHE1904  12.170  -2.339   1.852
  147    HD1  PHE1904           HD2      PHE1904  15.484  -2.514   1.308
  148    HD2  PHE1904           HD1      PHE1904  12.001  -4.827   0.540
  149    HE1  PHE1904           HE2      PHE1904  16.621  -3.593  -0.550
  150    HE2  PHE1904           HE1      PHE1904  13.142  -5.915  -1.336
  151    HZ   PHE1904           HZ       PHE1904  15.293  -5.287  -1.981
  152    H    ASP1905           HN       ASP1905  12.869   0.275   3.147
  153    HA   ASP1905           HA       ASP1905  11.032  -0.360   5.226
  154    HB2  ASP1905           HB2      ASP1905  11.582   1.564   6.678
  155    HB3  ASP1905           HB1      ASP1905  12.835   0.340   6.662
  156    H    LEU1906           HN       LEU1906   9.313   0.806   5.246
  157    HA   LEU1906           HA       LEU1906   9.198   2.879   3.208
  158    HB2  LEU1906           HB2      LEU1906   6.948   1.153   4.247
  159    HB3  LEU1906           HB1      LEU1906   6.729   2.517   3.166
  160    HG   LEU1906           HG       LEU1906   8.317   0.034   2.523
  161   HD11  LEU1906          HD11      LEU1906   5.610   0.936   1.574
  162   HD12  LEU1906          HD12      LEU1906   5.942  -0.418   2.654
  163   HD13  LEU1906          HD13      LEU1906   6.498  -0.465   0.980
  164   HD21  LEU1906          HD21      LEU1906   9.179   2.014   1.389
  165   HD22  LEU1906          HD22      LEU1906   7.559   2.400   0.809
  166   HD23  LEU1906          HD23      LEU1906   8.370   0.937   0.246
  167    H    THR1907           HN       THR1907  10.191   4.154   4.704
  168    HA   THR1907           HA       THR1907   8.824   4.934   7.062
  169    HB   THR1907           HB       THR1907  10.787   6.676   6.883
  170    HG1  THR1907           HG1      THR1907  12.139   4.715   5.442
  171   HG21  THR1907          HG21      THR1907  11.260   3.709   7.305
  172   HG22  THR1907          HG22      THR1907  10.642   4.825   8.523
  173   HG23  THR1907          HG23      THR1907  12.285   5.011   7.913
  174    H    SER1908           HN       SER1908   9.951   6.701   4.195
  175    HA   SER1908           HA       SER1908   8.335   8.977   4.698
  176    HB2  SER1908           HB2      SER1908   9.761   8.254   2.148
  177    HB3  SER1908           HB1      SER1908   9.249   9.864   2.670
  178    HG   SER1908           HG       SER1908  11.408   9.605   3.182
  179    H    LEU1909           HN       LEU1909   7.434   6.051   3.491
  180    HA   LEU1909           HA       LEU1909   5.604   6.921   1.496
  181    HB2  LEU1909           HB2      LEU1909   6.614   4.489   2.407
  182    HB3  LEU1909           HB1      LEU1909   4.888   4.424   2.732
  183    HG   LEU1909           HG       LEU1909   5.315   3.424   0.588
  184   HD11  LEU1909          HD11      LEU1909   4.218   6.182   0.143
  185   HD12  LEU1909          HD12      LEU1909   3.305   4.813   0.756
  186   HD13  LEU1909          HD13      LEU1909   3.956   4.775  -0.889
  187   HD21  LEU1909          HD21      LEU1909   6.734   5.984  -0.142
  188   HD22  LEU1909          HD22      LEU1909   6.408   4.638  -1.238
  189   HD23  LEU1909          HD23      LEU1909   7.489   4.416   0.136
  190    H    LYS1910           HN       LYS1910   5.521   6.643   4.951
  191    HA   LYS1910           HA       LYS1910   2.646   7.124   4.915
  192    HB2  LYS1910           HB2      LYS1910   2.572   6.638   7.297
  193    HB3  LYS1910           HB1      LYS1910   3.671   5.469   6.617
  194    HG2  LYS1910           HG2      LYS1910   5.560   6.954   7.356
  195    HG3  LYS1910           HG1      LYS1910   4.354   7.892   8.240
  196    HD2  LYS1910           HD2      LYS1910   5.324   6.286   9.754
  197    HD3  LYS1910           HD1      LYS1910   3.683   5.759   9.412
  198    HE2  LYS1910           HE2      LYS1910   5.238   3.911   9.306
  199    HE3  LYS1910           HE1      LYS1910   4.520   4.230   7.722
  200    HZ1  LYS1910           HZ1      LYS1910   7.201   5.131   8.627
  201    HZ2  LYS1910           HZ2      LYS1910   6.481   5.557   7.195
  202    HZ3  LYS1910           HZ3      LYS1910   6.891   3.942   7.432
  203    H    ARG1911           HN       ARG1911   1.935   9.088   4.916
  204    HA   ARG1911           HA       ARG1911   3.293  11.282   6.071
  205    HB2  ARG1911           HB2      ARG1911   3.757  12.462   3.898
  206    HB3  ARG1911           HB1      ARG1911   4.778  11.071   4.196
  207    HG2  ARG1911           HG2      ARG1911   3.256   9.755   2.678
  208    HG3  ARG1911           HG1      ARG1911   2.473  11.283   2.275
  209    HD2  ARG1911           HD2      ARG1911   4.652  12.186   1.548
  210    HD3  ARG1911           HD1      ARG1911   5.392  10.625   1.886
  211    HE   ARG1911           HE       ARG1911   3.180  10.517   0.039
  212   HH11  ARG1911          HH11      ARG1911   6.698  10.804   0.313
  213   HH12  ARG1911          HH12      ARG1911   6.999  10.515  -1.340
  214   HH21  ARG1911          HH21      ARG1911   3.568  10.097  -2.180
  215   HH22  ARG1911          HH22      ARG1911   5.141  10.061  -2.832
  216    H    GLU1912           HN       GLU1912   2.183  13.286   4.408
  217    HA   GLU1912           HA       GLU1912  -0.169  13.881   5.576
  218    HB2  GLU1912           HB2      GLU1912   1.265  15.310   4.068
  219    HB3  GLU1912           HB1      GLU1912   0.405  14.601   2.709
  220    HG2  GLU1912           HG2      GLU1912  -0.515  16.763   3.277
  221    HG3  GLU1912           HG1      GLU1912  -1.698  15.489   3.588
  222    H    SER1913           HN       SER1913   0.024  12.185   2.434
  223    HA   SER1913           HA       SER1913  -2.756  11.420   2.895
  224    HB2  SER1913           HB2      SER1913  -1.304  11.582   0.246
  225    HB3  SER1913           HB1      SER1913  -3.010  11.182   0.531
  226    HG   SER1913           HG       SER1913  -3.269  13.232   1.445
  227    H    GLY1914           HN       GLY1914   0.417  10.331   1.851
  228    HA2  GLY1914           HA2      GLY1914   1.370   8.271   2.435
  229    HA3  GLY1914           HA1      GLY1914  -0.243   7.670   2.855
  230    H    TYR1915           HN       TYR1915  -1.251   6.429   1.436
  231    HA   TYR1915           HA       TYR1915   0.031   6.068  -1.184
  232    HB2  TYR1915           HB2      TYR1915  -0.401   4.127   0.520
  233    HB3  TYR1915           HB1      TYR1915  -2.085   4.312   0.075
  234    HD1  TYR1915           HD2      TYR1915  -2.323   4.336  -2.727
  235    HD2  TYR1915           HD1      TYR1915   0.674   2.374  -0.425
  236    HE1  TYR1915           HE2      TYR1915  -1.927   2.760  -4.579
  237    HE2  TYR1915           HE1      TYR1915   1.076   0.804  -2.259
  238    HH   TYR1915           HH       TYR1915  -0.040   1.277  -5.392
  239    H    THR1916           HN       THR1916  -0.958   7.467  -2.597
  240    HA   THR1916           HA       THR1916  -3.881   7.423  -2.794
  241    HB   THR1916           HB       THR1916  -2.312  10.008  -2.498
  242    HG1  THR1916           HG1      THR1916  -3.550   8.393  -0.691
  243   HG21  THR1916          HG21      THR1916  -4.527  11.083  -2.527
  244   HG22  THR1916          HG22      THR1916  -5.293   9.510  -2.737
  245   HG23  THR1916          HG23      THR1916  -4.266  10.165  -4.013
  246    H    ILE1917           HN       ILE1917  -4.670   7.463  -4.510
  247    HA   ILE1917           HA       ILE1917  -3.398   8.539  -6.801
  248    HB   ILE1917           HB       ILE1917  -4.424   6.292  -7.802
  249   HG12  ILE1917          HG12      ILE1917  -2.867   5.359  -5.379
  250   HG13  ILE1917          HG11      ILE1917  -4.587   5.127  -5.674
  251   HG21  ILE1917          HG21      ILE1917  -1.496   6.830  -7.234
  252   HG22  ILE1917          HG22      ILE1917  -2.399   7.309  -8.657
  253   HG23  ILE1917          HG23      ILE1917  -2.055   5.611  -8.366
  254   HD11  ILE1917          HD11      ILE1917  -3.318   3.085  -6.071
  255   HD12  ILE1917          HD12      ILE1917  -2.339   3.921  -7.278
  256   HD13  ILE1917          HD13      ILE1917  -4.060   3.669  -7.562
  257    H    THR1918           HN       THR1918  -5.037   8.269  -8.635
  258    HA   THR1918           HA       THR1918  -7.588   9.005  -7.480
  259    HB   THR1918           HB       THR1918  -6.671   9.233 -10.353
  260    HG1  THR1918           HG1      THR1918  -5.308  10.415  -8.940
  261   HG21  THR1918          HG21      THR1918  -8.846  10.638  -8.780
  262   HG22  THR1918          HG22      THR1918  -9.108   9.343  -9.932
  263   HG23  THR1918          HG23      THR1918  -8.478  10.901 -10.492
  264    H    ASP1919           HN       ASP1919  -9.363   7.840  -7.754
  265    HA   ASP1919           HA       ASP1919  -9.183   5.257  -9.137
  266    HB2  ASP1919           HB2      ASP1919 -10.000   5.416  -6.692
  267    HB3  ASP1919           HB1      ASP1919 -11.362   6.318  -7.318
  268    H    SER1920           HN       SER1920 -10.766   4.802 -10.800
  269    HA   SER1920           HA       SER1920 -11.764   7.240 -12.030
  270    HB2  SER1920           HB2      SER1920 -11.935   4.434 -13.090
  271    HB3  SER1920           HB1      SER1920 -12.075   5.969 -13.967
  272    HG   SER1920           HG       SER1920  -9.862   6.388 -13.231
  273    H    HIS1921           HN       HIS1921 -12.936   4.690 -10.098
  274    HA   HIS1921           HA       HIS1921 -15.669   4.792 -11.120
  275    HB2  HIS1921           HB2      HIS1921 -14.518   2.630 -10.624
  276    HB3  HIS1921           HB1      HIS1921 -14.403   3.134  -8.947
  277    HD1  HIS1921           HD1      HIS1921 -16.819   3.355  -7.652
  278    HD2  HIS1921           HD2      HIS1921 -16.814   1.406 -11.325
  279    HE1  HIS1921           HE1      HIS1921 -18.931   2.091  -7.731
  280    HE2  HIS1921           HE2      HIS1921 -18.622   0.596  -9.728
  281    H    ASN1922           HN       ASN1922 -13.897   5.042  -8.126
  282    HA   ASN1922           HA       ASN1922 -16.162   6.441  -6.864
  283    HB2  ASN1922           HB2      ASN1922 -13.845   4.949  -5.764
  284    HB3  ASN1922           HB1      ASN1922 -14.997   5.919  -4.830
  285   HD21  ASN1922          HD21      ASN1922 -14.323   2.880  -5.399
  286   HD22  ASN1922          HD22      ASN1922 -15.882   2.157  -5.387
  287    H    ARG1923           HN       ARG1923 -13.161   6.958  -8.178
  288    HA   ARG1923           HA       ARG1923 -12.067   8.881  -8.536
  289    HB2  ARG1923           HB2      ARG1923 -13.999   9.909  -6.579
  290    HB3  ARG1923           HB1      ARG1923 -12.797  10.995  -7.312
  291    HG2  ARG1923           HG2      ARG1923 -13.794  10.415  -9.544
  292    HG3  ARG1923           HG1      ARG1923 -14.973   9.414  -8.713
  293    HD2  ARG1923           HD2      ARG1923 -14.626  12.390  -8.349
  294    HD3  ARG1923           HD1      ARG1923 -15.948  11.591  -9.205
  295    HE   ARG1923           HE       ARG1923 -16.293  10.470  -6.905
  296   HH11  ARG1923          HH11      ARG1923 -15.575  13.907  -7.474
  297   HH12  ARG1923          HH12      ARG1923 -16.042  14.371  -5.908
  298   HH21  ARG1923          HH21      ARG1923 -16.999  11.159  -4.849
  299   HH22  ARG1923          HH22      ARG1923 -16.895  12.840  -4.406
  300    H    LYS1924           HN       LYS1924 -12.540   8.311  -5.043
  301    HA   LYS1924           HA       LYS1924  -9.853   9.453  -4.648
  302    HB2  LYS1924           HB2      LYS1924 -11.833  10.457  -3.514
  303    HB3  LYS1924           HB1      LYS1924 -12.022   8.961  -2.626
  304    HG2  LYS1924           HG2      LYS1924 -10.945  10.472  -1.190
  305    HG3  LYS1924           HG1      LYS1924  -9.703   9.341  -1.728
  306    HD2  LYS1924           HD2      LYS1924  -8.875  10.954  -3.326
  307    HD3  LYS1924           HD1      LYS1924 -10.193  12.064  -2.932
  308    HE2  LYS1924           HE2      LYS1924  -9.370  12.148  -0.608
  309    HE3  LYS1924           HE1      LYS1924  -8.014  11.131  -1.079
  310    HZ1  LYS1924           HZ1      LYS1924  -7.414  13.434  -1.003
  311    HZ2  LYS1924           HZ2      LYS1924  -8.634  13.833  -2.092
  312    HZ3  LYS1924           HZ3      LYS1924  -7.318  12.916  -2.622
  313    H    ILE1925           HN       ILE1925  -8.248   7.912  -4.504
  314    HA   ILE1925           HA       ILE1925  -8.815   5.465  -2.967
  315    HB   ILE1925           HB       ILE1925  -6.565   5.998  -4.953
  316   HG12  ILE1925          HG12      ILE1925  -8.900   4.106  -5.112
  317   HG13  ILE1925          HG11      ILE1925  -8.717   5.588  -6.031
  318   HG21  ILE1925          HG21      ILE1925  -7.159   3.499  -3.372
  319   HG22  ILE1925          HG22      ILE1925  -5.786   4.582  -3.143
  320   HG23  ILE1925          HG23      ILE1925  -5.935   3.646  -4.632
  321   HD11  ILE1925          HD11      ILE1925  -6.746   4.646  -7.179
  322   HD12  ILE1925          HD12      ILE1925  -8.158   3.617  -7.408
  323   HD13  ILE1925          HD13      ILE1925  -6.915   3.163  -6.247
  324    H    GLU1926           HN       GLU1926  -8.196   5.775  -0.882
  325    HA   GLU1926           HA       GLU1926  -5.534   6.879  -0.508
  326    HB2  GLU1926           HB2      GLU1926  -7.926   7.703   1.111
  327    HB3  GLU1926           HB1      GLU1926  -6.276   7.925   1.661
  328    HG2  GLU1926           HG2      GLU1926  -5.909   9.234  -0.479
  329    HG3  GLU1926           HG1      GLU1926  -7.666   9.219  -0.649
  330    H    LEU1927           HN       LEU1927  -4.261   5.805   0.618
  331    HA   LEU1927           HA       LEU1927  -5.205   3.858   2.600
  332    HB2  LEU1927           HB2      LEU1927  -2.937   3.452   0.635
  333    HB3  LEU1927           HB1      LEU1927  -3.365   2.383   1.936
  334    HG   LEU1927           HG       LEU1927  -5.447   1.792   0.688
  335   HD11  LEU1927          HD11      LEU1927  -4.146   3.368  -1.527
  336   HD12  LEU1927          HD12      LEU1927  -5.640   3.815  -0.701
  337   HD13  LEU1927          HD13      LEU1927  -5.574   2.343  -1.673
  338   HD21  LEU1927          HD21      LEU1927  -3.446   0.471   0.634
  339   HD22  LEU1927          HD22      LEU1927  -2.825   1.441  -0.700
  340   HD23  LEU1927          HD23      LEU1927  -4.264   0.444  -0.926
  341    H    ASN1928           HN       ASN1928  -3.354   3.396   4.096
  342    HA   ASN1928           HA       ASN1928  -1.230   5.399   3.817
  343    HB2  ASN1928           HB2      ASN1928  -2.844   5.823   5.797
  344    HB3  ASN1928           HB1      ASN1928  -2.070   4.432   6.568
  345   HD21  ASN1928          HD21      ASN1928  -1.951   6.899   7.762
  346   HD22  ASN1928          HD22      ASN1928  -0.347   7.543   7.624
  347    H    VAL1929           HN       VAL1929   0.826   4.645   4.542
  348    HA   VAL1929           HA       VAL1929   0.949   1.756   4.139
  349    HB   VAL1929           HB       VAL1929   2.986   3.884   3.457
  350   HG11  VAL1929          HG11      VAL1929   4.348   2.080   2.527
  351   HG12  VAL1929          HG12      VAL1929   3.198   0.890   3.143
  352   HG13  VAL1929          HG13      VAL1929   4.130   1.881   4.265
  353   HG21  VAL1929          HG21      VAL1929   2.581   3.043   1.156
  354   HG22  VAL1929          HG22      VAL1929   1.153   3.760   1.903
  355   HG23  VAL1929          HG23      VAL1929   1.308   2.009   1.804
  356    H    CYS1930           HN       CYS1930   1.044   0.757   5.962
  357    HA   CYS1930           HA       CYS1930   1.929  -0.193   7.803
  358    HB2  CYS1930           HB2      CYS1930   4.165   0.078   6.781
  359    HB3  CYS1930           HB1      CYS1930   4.262   1.714   7.409
  360    H    ALA1931           HN       ALA1931   0.578   2.585   7.582
  361    HA   ALA1931           HA       ALA1931   0.661   3.101  10.431
  362    HB1  ALA1931           HB1      ALA1931   0.690   5.177   8.239
  363    HB2  ALA1931           HB2      ALA1931   2.014   4.810   9.345
  364    HB3  ALA1931           HB3      ALA1931   0.519   5.507   9.965
  365    H    GLU1932           HN       GLU1932  -1.240   3.907  11.168
  366    HA   GLU1932           HA       GLU1932  -3.590   2.856  10.136
  367    HB2  GLU1932           HB2      GLU1932  -3.328   5.246  11.983
  368    HB3  GLU1932           HB1      GLU1932  -4.748   4.236  11.791
  369    HG2  GLU1932           HG2      GLU1932  -3.849   3.481  13.783
  370    HG3  GLU1932           HG1      GLU1932  -3.250   2.315  12.623
  371    H    ALA1933           HN       ALA1933  -5.154   3.659   8.761
  372    HA   ALA1933           HA       ALA1933  -4.343   5.450   6.821
  373    HB1  ALA1933           HB1      ALA1933  -7.214   4.759   7.444
  374    HB2  ALA1933           HB2      ALA1933  -6.124   3.783   6.464
  375    HB3  ALA1933           HB3      ALA1933  -6.585   5.390   5.920
  376    H    LYS1934           HN       LYS1934  -4.023   7.450   6.840
  377    HA   LYS1934           HA       LYS1934  -5.081   9.224   8.874
  378    HB2  LYS1934           HB2      LYS1934  -2.704   9.287   7.913
  379    HB3  LYS1934           HB1      LYS1934  -3.415   9.908   6.430
  380    HG2  LYS1934           HG2      LYS1934  -4.187  11.893   7.607
  381    HG3  LYS1934           HG1      LYS1934  -3.549  11.260   9.126
  382    HD2  LYS1934           HD2      LYS1934  -1.908  11.883   6.665
  383    HD3  LYS1934           HD1      LYS1934  -2.044  12.922   8.081
  384    HE2  LYS1934           HE2      LYS1934  -0.980  10.094   8.136
  385    HE3  LYS1934           HE1      LYS1934   0.032  11.528   8.011
  386    HZ1  LYS1934           HZ1      LYS1934  -0.133  10.713  10.317
  387    HZ2  LYS1934           HZ2      LYS1934  -1.798  10.961  10.319
  388    HZ3  LYS1934           HZ3      LYS1934  -0.759  12.263  10.142
  389    H    SER1935           HN       SER1935  -5.984   7.959   6.004
  390    HA   SER1935           HA       SER1935  -7.348   9.931   4.617
  391    HB2  SER1935           HB2      SER1935  -7.997   7.019   4.766
  392    HB3  SER1935           HB1      SER1935  -7.976   8.092   3.359
  393    HG   SER1935           HG       SER1935  -5.681   8.269   3.688
  394    H    SER1936           HN       SER1936  -9.912   9.229   4.332
  395    HA   SER1936           HA       SER1936 -11.109   9.976   6.825
  396    HB2  SER1936           HB2      SER1936 -12.293   9.495   4.091
  397    HB3  SER1936           HB1      SER1936 -13.107  10.277   5.452
  398    HG   SER1936           HG       SER1936 -11.207  11.701   5.442
  399    H    CYS1937           HN       CYS1937 -10.009   7.195   6.475
  400    HA   CYS1937           HA       CYS1937 -12.197   5.408   6.329
  401    HB2  CYS1937           HB2      CYS1937  -9.490   4.944   7.613
  402    HB3  CYS1937           HB1      CYS1937 -10.644   3.698   7.148
  403    H    ALA1938           HN       ALA1938 -10.024   5.672   9.151
  404    HA   ALA1938           HA       ALA1938 -11.471   6.971  10.984
  405    HB1  ALA1938           HB1      ALA1938 -12.475   5.257  12.439
  406    HB2  ALA1938           HB2      ALA1938 -12.035   3.997  11.287
  407    HB3  ALA1938           HB3      ALA1938 -13.233   5.214  10.846
  408    H    ASN1939           HN       ASN1939 -10.348   3.737  11.958
  409    HA   ASN1939           HA       ASN1939  -7.891   5.000  12.635
  410    HB2  ASN1939           HB2      ASN1939  -9.452   3.123  14.394
  411    HB3  ASN1939           HB1      ASN1939  -7.779   3.568  14.701
  412   HD21  ASN1939          HD21      ASN1939  -7.308   5.697  15.287
  413   HD22  ASN1939          HD22      ASN1939  -8.549   6.744  15.914
  414    H    GLY1940           HN       GLY1940  -9.180   1.743  12.795
  415    HA2  GLY1940           HA2      GLY1940  -6.583   0.597  12.295
  416    HA3  GLY1940           HA1      GLY1940  -8.046  -0.254  12.739
  417    H    ALA1941           HN       ALA1941  -8.553   1.760  10.116
  418    HA   ALA1941           HA       ALA1941  -8.390  -0.520   8.291
  419    HB1  ALA1941           HB1      ALA1941  -9.688   0.884   6.739
  420    HB2  ALA1941           HB2      ALA1941  -9.625   2.215   7.893
  421    HB3  ALA1941           HB3      ALA1941 -10.504   0.736   8.294
  422    H    ALA1942           HN       ALA1942  -7.294  -0.208   6.206
  423    HA   ALA1942           HA       ALA1942  -5.259   1.921   6.355
  424    HB1  ALA1942           HB1      ALA1942  -4.781  -0.883   5.383
  425    HB2  ALA1942           HB2      ALA1942  -4.258  -0.234   6.940
  426    HB3  ALA1942           HB3      ALA1942  -3.600   0.423   5.445
  427    H    VAL1943           HN       VAL1943  -7.245  -0.111   4.310
  428    HA   VAL1943           HA       VAL1943  -6.482   1.564   1.999
  429    HB   VAL1943           HB       VAL1943  -7.732  -1.178   1.943
  430   HG11  VAL1943          HG11      VAL1943  -7.004  -1.220  -0.394
  431   HG12  VAL1943          HG12      VAL1943  -6.399   0.430  -0.221
  432   HG13  VAL1943          HG13      VAL1943  -8.125   0.101  -0.060
  433   HG21  VAL1943          HG21      VAL1943  -4.821  -0.482   1.648
  434   HG22  VAL1943          HG22      VAL1943  -5.533  -2.074   1.358
  435   HG23  VAL1943          HG23      VAL1943  -5.563  -1.372   2.977
  436    H    CYS1944           HN       CYS1944  -8.080   3.019   1.602
  437    HA   CYS1944           HA       CYS1944 -10.810   1.976   1.626
  438    HB2  CYS1944           HB2      CYS1944  -9.986   4.681   2.636
  439    HB3  CYS1944           HB1      CYS1944 -11.634   4.099   2.469
  440    H    ILE1945           HN       ILE1945 -11.870   2.374  -0.121
  441    HA   ILE1945           HA       ILE1945 -10.860   4.410  -1.961
  442    HB   ILE1945           HB       ILE1945 -13.131   2.445  -2.468
  443   HG12  ILE1945          HG12      ILE1945 -11.091   1.142  -1.989
  444   HG13  ILE1945          HG11      ILE1945 -11.549   1.006  -3.678
  445   HG21  ILE1945          HG21      ILE1945 -11.371   4.048  -4.317
  446   HG22  ILE1945          HG22      ILE1945 -13.056   4.389  -3.922
  447   HG23  ILE1945          HG23      ILE1945 -12.639   2.931  -4.823
  448   HD11  ILE1945          HD11      ILE1945  -9.350   2.748  -2.576
  449   HD12  ILE1945          HD12      ILE1945  -9.786   2.596  -4.278
  450   HD13  ILE1945          HD13      ILE1945  -9.134   1.209  -3.405
  451    H    THR1946           HN       THR1946 -11.695   6.328  -1.448
  452    HA   THR1946           HA       THR1946 -14.042   6.451   0.219
  453    HB   THR1946           HB       THR1946 -12.494   8.836  -0.760
  454    HG1  THR1946           HG1      THR1946 -11.066   8.520   0.865
  455   HG21  THR1946          HG21      THR1946 -13.080   9.716   1.437
  456   HG22  THR1946          HG22      THR1946 -13.760   8.170   1.899
  457   HG23  THR1946          HG23      THR1946 -14.551   9.133   0.639
  458    H    ASP1947           HN       ASP1947 -15.891   6.210  -1.008
  459    HA   ASP1947           HA       ASP1947 -16.064   7.996  -3.273
  460    HB2  ASP1947           HB2      ASP1947 -18.135   6.905  -3.950
  461    HB3  ASP1947           HB1      ASP1947 -16.843   5.712  -3.840
  462    H    GLY1948           HN       GLY1948 -16.271   9.870  -2.547
  463    HA2  GLY1948           HA2      GLY1948 -17.306  11.761  -1.717
  464    HA3  GLY1948           HA1      GLY1948 -18.775  10.804  -1.547
  465    HA   PRO1949           HA       PRO1949 -17.720  11.063   2.820
  466    HB2  PRO1949           HB2      PRO1949 -20.347  10.136   3.456
  467    HB3  PRO1949           HB1      PRO1949 -19.745  11.791   3.522
  468    HG2  PRO1949           HG2      PRO1949 -21.676  10.878   1.759
  469    HG3  PRO1949           HG1      PRO1949 -20.697  12.335   1.528
  470    HD2  PRO1949           HD2      PRO1949 -20.355   9.606   0.357
  471    HD3  PRO1949           HD1      PRO1949 -20.103  11.197  -0.396
  472    H    LYS1950           HN       LYS1950 -18.405   8.411   0.905
  473    HA   LYS1950           HA       LYS1950 -18.536   6.447   3.067
  474    HB2  LYS1950           HB2      LYS1950 -18.830   6.232   0.078
  475    HB3  LYS1950           HB1      LYS1950 -18.748   4.842   1.137
  476    HG2  LYS1950           HG2      LYS1950 -20.766   5.539   2.266
  477    HG3  LYS1950           HG1      LYS1950 -20.829   7.001   1.282
  478    HD2  LYS1950           HD2      LYS1950 -22.365   5.405   0.358
  479    HD3  LYS1950           HD1      LYS1950 -21.009   5.578  -0.743
  480    HE2  LYS1950           HE2      LYS1950 -21.386   3.298   1.220
  481    HE3  LYS1950           HE1      LYS1950 -21.805   3.232  -0.479
  482    HZ1  LYS1950           HZ1      LYS1950 -19.260   3.748  -0.816
  483    HZ2  LYS1950           HZ2      LYS1950 -19.798   2.208  -0.411
  484    HZ3  LYS1950           HZ3      LYS1950 -19.130   3.155   0.781
  485    H    THR1951           HN       THR1951 -16.981   4.877   3.328
  486    HA   THR1951           HA       THR1951 -14.593   5.138   1.689
  487    HB   THR1951           HB       THR1951 -13.455   4.294   3.886
  488    HG1  THR1951           HG1      THR1951 -15.386   5.884   5.157
  489   HG21  THR1951          HG21      THR1951 -12.947   6.430   2.808
  490   HG22  THR1951          HG22      THR1951 -13.018   6.622   4.560
  491   HG23  THR1951          HG23      THR1951 -14.369   7.152   3.557
  492    H    LEU1952           HN       LEU1952 -14.676   3.382   0.425
  493    HA   LEU1952           HA       LEU1952 -15.808   0.903   1.262
  494    HB2  LEU1952           HB2      LEU1952 -15.745   1.609  -1.107
  495    HB3  LEU1952           HB1      LEU1952 -13.997   1.544  -1.076
  496    HG   LEU1952           HG       LEU1952 -14.113  -0.896  -0.679
  497   HD11  LEU1952          HD11      LEU1952 -16.283  -1.009   0.396
  498   HD12  LEU1952          HD12      LEU1952 -16.231  -2.068  -1.014
  499   HD13  LEU1952          HD13      LEU1952 -17.077  -0.525  -1.102
  500   HD21  LEU1952          HD21      LEU1952 -14.820  -1.496  -2.951
  501   HD22  LEU1952          HD22      LEU1952 -13.841  -0.029  -2.939
  502   HD23  LEU1952          HD23      LEU1952 -15.590   0.082  -3.123
  503    H    ASN1953           HN       ASN1953 -14.895  -0.229   2.734
  504    HA   ASN1953           HA       ASN1953 -12.072  -0.020   3.317
  505    HB2  ASN1953           HB2      ASN1953 -14.221  -1.725   4.597
  506    HB3  ASN1953           HB1      ASN1953 -12.561  -1.625   5.162
  507   HD21  ASN1953          HD21      ASN1953 -12.293   1.255   4.728
  508   HD22  ASN1953          HD22      ASN1953 -13.268   2.013   5.923
  509    H    ALA1954           HN       ALA1954 -10.752  -1.011   1.971
  510    HA   ALA1954           HA       ALA1954 -11.525  -3.605   0.900
  511    HB1  ALA1954           HB1      ALA1954 -10.615  -1.939  -0.653
  512    HB2  ALA1954           HB2      ALA1954  -9.611  -3.388  -0.588
  513    HB3  ALA1954           HB3      ALA1954  -9.103  -1.926   0.256
  514    H    GLY1955           HN       GLY1955  -9.083  -2.169   2.997
  515    HA2  GLY1955           HA2      GLY1955  -8.558  -4.817   4.051
  516    HA3  GLY1955           HA1      GLY1955  -7.194  -3.976   3.328
  517    H    LYS1956           HN       LYS1956  -7.759  -4.811   6.100
  518    HA   LYS1956           HA       LYS1956  -8.043  -2.310   7.514
  519    HB2  LYS1956           HB2      LYS1956  -7.766  -3.670   9.543
  520    HB3  LYS1956           HB1      LYS1956  -9.048  -4.273   8.508
  521    HG2  LYS1956           HG2      LYS1956  -7.577  -6.033   7.690
  522    HG3  LYS1956           HG1      LYS1956  -6.269  -5.417   8.698
  523    HD2  LYS1956           HD2      LYS1956  -7.259  -7.328   9.788
  524    HD3  LYS1956           HD1      LYS1956  -7.663  -5.880  10.703
  525    HE2  LYS1956           HE2      LYS1956  -9.513  -7.220   8.718
  526    HE3  LYS1956           HE1      LYS1956  -9.531  -7.529  10.448
  527    HZ1  LYS1956           HZ1      LYS1956 -10.106  -5.167  10.796
  528    HZ2  LYS1956           HZ2      LYS1956 -11.239  -5.944   9.795
  529    HZ3  LYS1956           HZ3      LYS1956 -10.139  -4.918   9.130
  530    H    LEU1957           HN       LEU1957  -6.390  -1.911   9.283
  531    HA   LEU1957           HA       LEU1957  -3.878  -1.766   7.924
  532    HB2  LEU1957           HB2      LEU1957  -4.839   0.268   8.920
  533    HB3  LEU1957           HB1      LEU1957  -4.808  -0.480  10.496
  534    HG   LEU1957           HG       LEU1957  -3.031   1.300   9.913
  535   HD11  LEU1957          HD11      LEU1957  -2.917  -0.030  11.932
  536   HD12  LEU1957          HD12      LEU1957  -1.312   0.198  11.230
  537   HD13  LEU1957          HD13      LEU1957  -2.145  -1.341  11.035
  538   HD21  LEU1957          HD21      LEU1957  -1.001   0.442   8.851
  539   HD22  LEU1957          HD22      LEU1957  -2.377   0.414   7.749
  540   HD23  LEU1957          HD23      LEU1957  -1.823  -1.080   8.508
  541    H    SER1958           HN       SER1958  -3.127  -3.751   7.982
  542    HA   SER1958           HA       SER1958  -2.097  -4.582  10.584
  543    HB2  SER1958           HB2      SER1958  -2.518  -6.253   8.081
  544    HB3  SER1958           HB1      SER1958  -1.915  -6.843   9.631
  545    HG   SER1958           HG       SER1958  -3.990  -5.935  10.483
  546    H    LYS1959           HN       LYS1959  -0.211  -3.763  10.755
  547    HA   LYS1959           HA       LYS1959   1.283  -2.878   8.461
  548    HB2  LYS1959           HB2      LYS1959   2.918  -1.960  10.221
  549    HB3  LYS1959           HB1      LYS1959   1.354  -1.190  10.118
  550    HG2  LYS1959           HG2      LYS1959   0.660  -2.722  12.036
  551    HG3  LYS1959           HG1      LYS1959   2.384  -3.122  12.177
  552    HD2  LYS1959           HD2      LYS1959   1.686  -1.395  13.779
  553    HD3  LYS1959           HD1      LYS1959   2.836  -0.738  12.611
  554    HE2  LYS1959           HE2      LYS1959   1.150   0.408  11.439
  555    HE3  LYS1959           HE1      LYS1959  -0.132  -0.513  12.215
  556    HZ1  LYS1959           HZ1      LYS1959   0.130   1.826  13.047
  557    HZ2  LYS1959           HZ2      LYS1959   1.602   1.359  13.782
  558    HZ3  LYS1959           HZ3      LYS1959   0.175   0.629  14.203
  559    H    THR1960           HN       THR1960   1.546  -4.930   7.685
  560    HA   THR1960           HA       THR1960   3.980  -6.235   8.650
  561    HB   THR1960           HB       THR1960   1.676  -7.494   7.128
  562    HG1  THR1960           HG1      THR1960   1.745  -6.664   9.565
  563   HG21  THR1960          HG21      THR1960   3.871  -8.639   6.909
  564   HG22  THR1960          HG22      THR1960   2.724  -9.604   7.836
  565   HG23  THR1960          HG23      THR1960   3.995  -8.706   8.668
  566    H    LEU1961           HN       LEU1961   5.551  -5.797   7.315
  567    HA   LEU1961           HA       LEU1961   5.046  -5.331   4.456
  568    HB2  LEU1961           HB2      LEU1961   5.682  -3.305   5.780
  569    HB3  LEU1961           HB1      LEU1961   7.147  -4.118   6.266
  570    HG   LEU1961           HG       LEU1961   7.835  -4.207   3.898
  571   HD11  LEU1961          HD11      LEU1961   5.399  -2.480   3.493
  572   HD12  LEU1961          HD12      LEU1961   5.651  -4.100   2.845
  573   HD13  LEU1961          HD13      LEU1961   6.654  -2.759   2.292
  574   HD21  LEU1961          HD21      LEU1961   8.653  -2.439   5.364
  575   HD22  LEU1961          HD22      LEU1961   7.236  -1.461   4.998
  576   HD23  LEU1961          HD23      LEU1961   8.406  -1.820   3.730
  577    H    THR1962           HN       THR1962   6.396  -6.595   3.118
  578    HA   THR1962           HA       THR1962   8.662  -7.852   4.294
  579    HB   THR1962           HB       THR1962   6.928  -9.214   5.203
  580    HG1  THR1962           HG1      THR1962   8.268 -10.705   4.946
  581   HG21  THR1962          HG21      THR1962   5.947  -9.625   2.382
  582   HG22  THR1962          HG22      THR1962   5.154  -8.785   3.734
  583   HG23  THR1962          HG23      THR1962   5.381 -10.533   3.801
  584    H    TYR1963           HN       TYR1963   9.429  -9.578   2.694
  585    HA   TYR1963           HA       TYR1963   9.626  -8.293   0.080
  586    HB2  TYR1963           HB2      TYR1963  11.649  -9.836  -0.141
  587    HB3  TYR1963           HB1      TYR1963  11.793  -8.630   1.131
  588    HD1  TYR1963           HD2      TYR1963  11.504  -9.331   3.520
  589    HD2  TYR1963           HD1      TYR1963  11.676 -12.191   0.373
  590    HE1  TYR1963           HE2      TYR1963  11.901 -11.098   5.160
  591    HE2  TYR1963           HE1      TYR1963  12.061 -13.973   2.019
  592    HH   TYR1963           HH       TYR1963  11.370 -13.629   5.146
  593    H    GLU1964           HN       GLU1964   8.682  -9.266  -1.660
  594    HA   GLU1964           HA       GLU1964   8.284 -12.124  -1.679
  595    HB2  GLU1964           HB2      GLU1964   6.330 -10.856  -0.414
  596    HB3  GLU1964           HB1      GLU1964   5.818 -10.442  -2.040
  597    HG2  GLU1964           HG2      GLU1964   6.159 -13.228  -0.949
  598    HG3  GLU1964           HG1      GLU1964   4.629 -12.380  -1.146
  599    H    ASP1965           HN       ASP1965   8.819 -12.700  -3.681
  600    HA   ASP1965           HA       ASP1965   9.187 -12.765  -5.908
  601    HB2  ASP1965           HB2      ASP1965   6.810 -12.049  -6.261
  602    HB3  ASP1965           HB1      ASP1965   7.279 -10.372  -6.074
  603    H    GLN1966           HN       GLN1966  10.631 -11.245  -3.896
  604    HA   GLN1966           HA       GLN1966  12.418  -9.968  -3.595
  605    HB2  GLN1966           HB2      GLN1966  12.681 -10.105  -6.608
  606    HB3  GLN1966           HB1      GLN1966  13.880  -9.350  -5.569
  607    HG2  GLN1966           HG2      GLN1966  14.187 -11.516  -4.413
  608    HG3  GLN1966           HG1      GLN1966  13.049 -12.247  -5.544
  609   HE21  GLN1966          HE21      GLN1966  15.899 -12.857  -5.079
  610   HE22  GLN1966          HE22      GLN1966  16.664 -12.602  -6.610
  611    H    VAL1967           HN       VAL1967   9.750  -8.941  -4.520
  612    HA   VAL1967           HA       VAL1967  10.400  -6.105  -4.825
  613    HB   VAL1967           HB       VAL1967   7.768  -7.605  -5.249
  614   HG11  VAL1967          HG11      VAL1967   8.455  -4.752  -5.901
  615   HG12  VAL1967          HG12      VAL1967   7.376  -5.296  -4.615
  616   HG13  VAL1967          HG13      VAL1967   6.946  -5.569  -6.304
  617   HG21  VAL1967          HG21      VAL1967   9.381  -8.212  -6.951
  618   HG22  VAL1967          HG22      VAL1967   9.688  -6.511  -7.293
  619   HG23  VAL1967          HG23      VAL1967   8.104  -7.208  -7.640
  620    H    LEU1968           HN       LEU1968   9.287  -4.688  -3.296
  621    HA   LEU1968           HA       LEU1968   9.016  -5.916  -0.719
  622    HB2  LEU1968           HB2      LEU1968  10.219  -3.790  -1.032
  623    HB3  LEU1968           HB1      LEU1968   8.751  -3.052  -1.636
  624    HG   LEU1968           HG       LEU1968   7.706  -3.342   0.554
  625   HD11  LEU1968          HD11      LEU1968   9.083  -4.012   2.463
  626   HD12  LEU1968          HD12      LEU1968  10.420  -4.354   1.373
  627   HD13  LEU1968          HD13      LEU1968   8.944  -5.317   1.282
  628   HD21  LEU1968          HD21      LEU1968  10.374  -1.950   0.630
  629   HD22  LEU1968          HD22      LEU1968   9.033  -1.671   1.742
  630   HD23  LEU1968          HD23      LEU1968   8.861  -1.270   0.035
  631    H    LYS1969           HN       LYS1969   7.115  -6.768  -0.170
  632    HA   LYS1969           HA       LYS1969   4.780  -5.600  -1.431
  633    HB2  LYS1969           HB2      LYS1969   5.217  -8.397  -0.506
  634    HB3  LYS1969           HB1      LYS1969   3.603  -7.755  -0.723
  635    HG2  LYS1969           HG2      LYS1969   4.471  -7.095  -3.099
  636    HG3  LYS1969           HG1      LYS1969   5.690  -8.335  -2.781
  637    HD2  LYS1969           HD2      LYS1969   3.953  -9.982  -2.367
  638    HD3  LYS1969           HD1      LYS1969   2.708  -8.752  -2.558
  639    HE2  LYS1969           HE2      LYS1969   2.766  -9.972  -4.583
  640    HE3  LYS1969           HE1      LYS1969   3.547  -8.427  -4.910
  641    HZ1  LYS1969           HZ1      LYS1969   5.731  -9.583  -4.717
  642    HZ2  LYS1969           HZ2      LYS1969   4.687 -10.330  -5.863
  643    HZ3  LYS1969           HZ3      LYS1969   4.875 -11.010  -4.377
  644    H    LEU1970           HN       LEU1970   3.347  -4.703  -0.431
  645    HA   LEU1970           HA       LEU1970   3.108  -5.018   2.465
  646    HB2  LEU1970           HB2      LEU1970   3.692  -2.737   1.665
  647    HB3  LEU1970           HB1      LEU1970   2.288  -2.763   0.621
  648    HG   LEU1970           HG       LEU1970   0.855  -2.903   2.641
  649   HD11  LEU1970          HD11      LEU1970   2.462  -3.868   4.185
  650   HD12  LEU1970          HD12      LEU1970   1.824  -2.347   4.811
  651   HD13  LEU1970          HD13      LEU1970   3.441  -2.402   4.103
  652   HD21  LEU1970          HD21      LEU1970   2.730  -0.554   2.478
  653   HD22  LEU1970          HD22      LEU1970   1.146  -0.562   3.258
  654   HD23  LEU1970          HD23      LEU1970   1.272  -0.797   1.516
  655    H    VAL1971           HN       VAL1971   1.228  -6.070   2.967
  656    HA   VAL1971           HA       VAL1971  -0.823  -6.035   0.901
  657    HB   VAL1971           HB       VAL1971  -1.474  -8.372   1.506
  658   HG11  VAL1971          HG11      VAL1971  -0.147  -7.988  -0.481
  659   HG12  VAL1971          HG12      VAL1971   0.326  -9.501   0.291
  660   HG13  VAL1971          HG13      VAL1971   1.338  -8.067   0.470
  661   HG21  VAL1971          HG21      VAL1971   0.133  -9.809   2.695
  662   HG22  VAL1971          HG22      VAL1971  -0.470  -8.518   3.731
  663   HG23  VAL1971          HG23      VAL1971   1.141  -8.401   3.026
  664    H    TYR1972           HN       TYR1972  -2.834  -5.741   1.522
  665    HA   TYR1972           HA       TYR1972  -3.368  -5.776   4.380
  666    HB2  TYR1972           HB2      TYR1972  -4.192  -3.579   2.451
  667    HB3  TYR1972           HB1      TYR1972  -4.925  -3.801   4.035
  668    HD1  TYR1972           HD2      TYR1972  -2.950  -4.096   5.948
  669    HD2  TYR1972           HD1      TYR1972  -2.674  -1.922   2.316
  670    HE1  TYR1972           HE2      TYR1972  -1.169  -2.704   6.916
  671    HE2  TYR1972           HE1      TYR1972  -0.904  -0.534   3.264
  672    HH   TYR1972           HH       TYR1972  -0.161   0.163   5.380
  673    H    GLU1973           HN       GLU1973  -5.164  -6.802   4.915
  674    HA   GLU1973           HA       GLU1973  -6.982  -7.404   2.797
  675    HB2  GLU1973           HB2      GLU1973  -7.011  -9.839   3.697
  676    HB3  GLU1973           HB1      GLU1973  -5.795  -9.331   2.548
  677    HG2  GLU1973           HG2      GLU1973  -4.798 -10.732   4.211
  678    HG3  GLU1973           HG1      GLU1973  -4.189  -9.093   4.390
  679    H    ASP1974           HN       ASP1974  -8.807  -8.710   3.643
  680    HA   ASP1974           HA       ASP1974 -10.811  -8.505   4.598
  681    HB2  ASP1974           HB2      ASP1974  -9.722 -10.057   6.178
  682    HB3  ASP1974           HB1      ASP1974  -9.287  -8.686   7.199
  683    H    GLY1975           HN       GLY1975 -11.494  -6.597   3.961
  684    HA2  GLY1975           HA2      GLY1975 -11.267  -4.414   5.908
  685    HA3  GLY1975           HA1      GLY1975 -11.683  -4.214   4.206
  686    H    ASP1976           HN       ASP1976 -13.728  -4.531   3.526
  687    HA   ASP1976           HA       ASP1976 -15.715  -5.087   5.612
  688    HB2  ASP1976           HB2      ASP1976 -15.693  -2.770   4.656
  689    HB3  ASP1976           HB1      ASP1976 -16.053  -3.474   3.081
  690    HA   PRO1977           HA       PRO1977 -16.487  -8.848   3.381
  691    HB2  PRO1977           HB2      PRO1977 -19.232  -8.532   4.479
  692    HB3  PRO1977           HB1      PRO1977 -18.125  -9.909   4.582
  693    HG2  PRO1977           HG2      PRO1977 -18.502  -8.351   6.686
  694    HG3  PRO1977           HG1      PRO1977 -16.877  -8.944   6.284
  695    HD2  PRO1977           HD2      PRO1977 -18.080  -6.243   5.816
  696    HD3  PRO1977           HD1      PRO1977 -16.447  -6.665   6.369
  697    H    CYS1978           HN       CYS1978 -16.686  -8.844   1.319
  698    HA   CYS1978           HA       CYS1978 -18.558  -7.232  -0.143
  699    HB2  CYS1978           HB2      CYS1978 -16.652  -9.402  -1.025
  700    HB3  CYS1978           HB1      CYS1978 -17.558  -8.345  -2.103
  701    HA   PRO1979           HA       PRO1979 -22.024  -9.956  -0.427
  702    HB2  PRO1979           HB2      PRO1979 -21.931  -9.583  -3.374
  703    HB3  PRO1979           HB1      PRO1979 -23.259  -9.308  -2.241
  704    HG2  PRO1979           HG2      PRO1979 -21.941  -7.250  -3.263
  705    HG3  PRO1979           HG1      PRO1979 -22.424  -7.249  -1.559
  706    HD2  PRO1979           HD2      PRO1979 -19.738  -7.775  -2.762
  707    HD3  PRO1979           HD1      PRO1979 -20.161  -6.867  -1.294
  708    H    THR1980           HN       THR1980 -19.493 -10.573  -2.945
  709    HA   THR1980           HA       THR1980 -20.313 -13.205  -3.373
  710    HB   THR1980           HB       THR1980 -18.038 -12.821  -4.582
  711    HG1  THR1980           HG1      THR1980 -17.526 -10.734  -4.793
  712   HG21  THR1980          HG21      THR1980 -19.295 -11.798  -6.441
  713   HG22  THR1980          HG22      THR1980 -20.591 -11.373  -5.324
  714   HG23  THR1980          HG23      THR1980 -20.253 -13.065  -5.676
  715    H    ASP1981           HN       ASP1981 -17.634 -11.445  -1.949
  716    HA   ASP1981           HA       ASP1981 -16.556 -13.926  -0.834
  717    HB2  ASP1981           HB2      ASP1981 -15.208 -11.496  -1.869
  718    HB3  ASP1981           HB1      ASP1981 -14.470 -12.295  -0.490
  719    H    LEU1982           HN       LEU1982 -17.937 -13.886   0.901
  720    HA   LEU1982           HA       LEU1982 -17.417 -11.803   2.904
  721    HB2  LEU1982           HB2      LEU1982 -19.247 -14.184   3.252
  722    HB3  LEU1982           HB1      LEU1982 -19.164 -12.767   4.260
  723    HG   LEU1982           HG       LEU1982 -20.007 -11.581   2.051
  724   HD11  LEU1982          HD11      LEU1982 -21.641 -13.067   0.910
  725   HD12  LEU1982          HD12      LEU1982 -20.864 -14.442   1.720
  726   HD13  LEU1982          HD13      LEU1982 -19.959 -13.445   0.583
  727   HD21  LEU1982          HD21      LEU1982 -21.766 -13.201   3.893
  728   HD22  LEU1982          HD22      LEU1982 -22.300 -11.865   2.876
  729   HD23  LEU1982          HD23      LEU1982 -21.162 -11.568   4.190
  730    H    LYS1983           HN       LYS1983 -17.204 -15.227   2.246
  731    HA   LYS1983           HA       LYS1983 -15.628 -15.538   4.680
  732    HB2  LYS1983           HB2      LYS1983 -16.440 -17.864   4.776
  733    HB3  LYS1983           HB1      LYS1983 -17.715 -16.655   4.885
  734    HG2  LYS1983           HG2      LYS1983 -18.212 -16.986   2.544
  735    HG3  LYS1983           HG1      LYS1983 -16.992 -18.263   2.479
  736    HD2  LYS1983           HD2      LYS1983 -19.412 -18.283   4.304
  737    HD3  LYS1983           HD1      LYS1983 -19.326 -19.138   2.768
  738    HE2  LYS1983           HE2      LYS1983 -17.464 -19.598   5.101
  739    HE3  LYS1983           HE1      LYS1983 -18.893 -20.572   4.759
  740    HZ1  LYS1983           HZ1      LYS1983 -16.846 -21.586   3.905
  741    HZ2  LYS1983           HZ2      LYS1983 -16.582 -20.254   2.902
  742    HZ3  LYS1983           HZ3      LYS1983 -17.929 -21.230   2.669
  743    H    MET1984           HN       MET1984 -15.447 -15.708   1.299
  744    HA   MET1984           HA       MET1984 -13.421 -17.736   1.339
  745    HB2  MET1984           HB2      MET1984 -14.269 -15.954  -0.959
  746    HB3  MET1984           HB1      MET1984 -13.076 -17.232  -1.089
  747    HG2  MET1984           HG2      MET1984 -14.829 -18.860  -0.446
  748    HG3  MET1984           HG1      MET1984 -16.000 -17.546  -0.459
  749    HE1  MET1984           HE1      MET1984 -16.041 -16.517  -4.278
  750    HE2  MET1984           HE2      MET1984 -15.063 -15.797  -3.014
  751    HE3  MET1984           HE3      MET1984 -16.743 -16.217  -2.690
  752    H    LYS1985           HN       LYS1985 -12.755 -14.698  -0.418
  753    HA   LYS1985           HA       LYS1985 -10.622 -14.252   1.519
  754    HB2  LYS1985           HB2      LYS1985  -9.030 -13.705  -0.268
  755    HB3  LYS1985           HB1      LYS1985  -9.550 -15.375  -0.336
  756    HG2  LYS1985           HG2      LYS1985 -10.965 -14.902  -2.224
  757    HG3  LYS1985           HG1      LYS1985 -10.607 -13.174  -2.098
  758    HD2  LYS1985           HD2      LYS1985  -8.268 -13.592  -2.580
  759    HD3  LYS1985           HD1      LYS1985  -8.557 -15.333  -2.593
  760    HE2  LYS1985           HE2      LYS1985  -9.783 -13.347  -4.507
  761    HE3  LYS1985           HE1      LYS1985  -8.382 -14.356  -4.856
  762    HZ1  LYS1985           HZ1      LYS1985 -10.411 -15.321  -5.741
  763    HZ2  LYS1985           HZ2      LYS1985 -11.102 -15.357  -4.201
  764    HZ3  LYS1985           HZ3      LYS1985  -9.738 -16.302  -4.540
  765    H    HIS1986           HN       HIS1986  -9.470 -12.099   0.755
  766    HA   HIS1986           HA       HIS1986 -10.641 -10.061  -0.671
  767    HB2  HIS1986           HB2      HIS1986 -12.432 -10.162   1.205
  768    HB3  HIS1986           HB1      HIS1986 -11.174  -9.608   2.296
  769    HD1  HIS1986           HD1      HIS1986 -13.791  -8.013   1.729
  770    HD2  HIS1986           HD2      HIS1986 -10.195  -7.300  -0.219
  771    HE1  HIS1986           HE1      HIS1986 -13.897  -5.631   0.971
  772    HE2  HIS1986           HE2      HIS1986 -12.012  -5.475  -0.602
  773    H    LYS1987           HN       LYS1987  -8.473  -9.723  -1.178
  774    HA   LYS1987           HA       LYS1987  -6.963  -8.391   0.893
  775    HB2  LYS1987           HB2      LYS1987  -4.904  -9.698   0.436
  776    HB3  LYS1987           HB1      LYS1987  -6.171 -10.628   1.215
  777    HG2  LYS1987           HG2      LYS1987  -6.706 -11.691  -0.913
  778    HG3  LYS1987           HG1      LYS1987  -5.467 -10.723  -1.716
  779    HD2  LYS1987           HD2      LYS1987  -4.630 -12.967  -1.230
  780    HD3  LYS1987           HD1      LYS1987  -3.745 -11.758  -0.305
  781    HE2  LYS1987           HE2      LYS1987  -5.050 -12.284   1.677
  782    HE3  LYS1987           HE1      LYS1987  -6.028 -13.424   0.757
  783    HZ1  LYS1987           HZ1      LYS1987  -4.400 -14.603   2.000
  784    HZ2  LYS1987           HZ2      LYS1987  -3.118 -13.707   1.394
  785    HZ3  LYS1987           HZ3      LYS1987  -4.003 -14.738   0.378
  786    H    SER1988           HN       SER1988  -5.439  -6.977   0.173
  787    HA   SER1988           HA       SER1988  -5.357  -6.609  -2.711
  788    HB2  SER1988           HB2      SER1988  -5.313  -4.477  -0.557
  789    HB3  SER1988           HB1      SER1988  -5.313  -4.227  -2.316
  790    HG   SER1988           HG       SER1988  -7.400  -4.644  -2.394
  791    H    TYR1989           HN       TYR1989  -3.405  -6.649  -3.553
  792    HA   TYR1989           HA       TYR1989  -1.033  -6.944  -1.848
  793    HB2  TYR1989           HB2      TYR1989  -1.418  -7.375  -4.814
  794    HB3  TYR1989           HB1      TYR1989   0.022  -7.763  -3.897
  795    HD1  TYR1989           HD1      TYR1989  -3.572  -8.653  -4.284
  796    HD2  TYR1989           HD2      TYR1989   0.277  -9.904  -2.981
  797    HE1  TYR1989           HE1      TYR1989  -4.408 -10.944  -4.039
  798    HE2  TYR1989           HE2      TYR1989  -0.557 -12.199  -2.718
  799    HH   TYR1989           HH       TYR1989  -2.603 -13.401  -2.460
  800    H    PHE1990           HN       PHE1990   0.381  -5.222  -1.725
  801    HA   PHE1990           HA       PHE1990   0.314  -3.269  -3.905
  802    HB2  PHE1990           HB2      PHE1990   1.073  -2.747  -1.009
  803    HB3  PHE1990           HB1      PHE1990   0.857  -1.545  -2.285
  804    HD1  PHE1990           HD2      PHE1990  -1.473  -1.425  -3.375
  805    HD2  PHE1990           HD1      PHE1990  -0.702  -3.268   0.375
  806    HE1  PHE1990           HE2      PHE1990  -3.827  -1.137  -2.753
  807    HE2  PHE1990           HE1      PHE1990  -3.052  -2.979   1.003
  808    HZ   PHE1990           HZ       PHE1990  -4.664  -2.152  -0.661
  809    H    SER1991           HN       SER1991   2.021  -3.543  -5.100
  810    HA   SER1991           HA       SER1991   4.393  -4.794  -3.945
  811    HB2  SER1991           HB2      SER1991   3.673  -4.402  -6.850
  812    HB3  SER1991           HB1      SER1991   4.970  -5.411  -6.206
  813    HG   SER1991           HG       SER1991   2.209  -5.703  -5.730
  814    H    PHE1992           HN       PHE1992   5.686  -3.282  -3.113
  815    HA   PHE1992           HA       PHE1992   6.185  -0.803  -4.496
  816    HB2  PHE1992           HB2      PHE1992   7.168  -1.917  -1.860
  817    HB3  PHE1992           HB1      PHE1992   7.682  -0.365  -2.512
  818    HD1  PHE1992           HD1      PHE1992   4.696  -2.260  -1.369
  819    HD2  PHE1992           HD2      PHE1992   6.408   1.552  -2.170
  820    HE1  PHE1992           HE1      PHE1992   2.754  -1.172  -0.334
  821    HE2  PHE1992           HE2      PHE1992   4.468   2.641  -1.129
  822    HZ   PHE1992           HZ       PHE1992   2.639   1.279  -0.213
  823    H    VAL1993           HN       VAL1993   7.485  -0.870  -6.056
  824    HA   VAL1993           HA       VAL1993   9.688  -2.780  -6.043
  825    HB   VAL1993           HB       VAL1993   8.215  -3.381  -7.801
  826   HG11  VAL1993          HG11      VAL1993   7.401  -1.831  -9.502
  827   HG12  VAL1993          HG12      VAL1993   8.195  -0.501  -8.657
  828   HG13  VAL1993          HG13      VAL1993   6.876  -1.378  -7.881
  829   HG21  VAL1993          HG21      VAL1993  10.367  -1.702  -9.041
  830   HG22  VAL1993          HG22      VAL1993   9.482  -2.993  -9.852
  831   HG23  VAL1993          HG23      VAL1993  10.568  -3.372  -8.500
  832    H    CYS1994           HN       CYS1994  11.720  -2.153  -6.271
  833    HA   CYS1994           HA       CYS1994  12.650   0.293  -5.581
  834    HB2  CYS1994           HB2      CYS1994  14.493  -1.142  -7.314
  835    HB3  CYS1994           HB1      CYS1994  14.572  -0.786  -5.601
  836    H    LYS1995           HN       LYS1995  12.064   2.092  -6.685
  837    HA   LYS1995           HA       LYS1995  13.482   2.363  -9.144
  838    HB2  LYS1995           HB2      LYS1995  11.312   1.969 -10.071
  839    HB3  LYS1995           HB1      LYS1995  10.568   3.136  -8.985
  840    HG2  LYS1995           HG2      LYS1995  11.442   4.958 -10.141
  841    HG3  LYS1995           HG1      LYS1995  12.681   3.989 -10.933
  842    HD2  LYS1995           HD2      LYS1995   9.755   3.567 -11.449
  843    HD3  LYS1995           HD1      LYS1995  10.701   4.762 -12.343
  844    HE2  LYS1995           HE2      LYS1995  11.425   1.845 -12.132
  845    HE3  LYS1995           HE1      LYS1995  10.507   2.537 -13.472
  846    HZ1  LYS1995           HZ1      LYS1995  12.376   3.933 -14.024
  847    HZ2  LYS1995           HZ2      LYS1995  12.907   2.328 -13.957
  848    HZ3  LYS1995           HZ3      LYS1995  13.299   3.377 -12.728
  849    H    SER1996           HN       SER1996  14.995   3.502  -8.356
  850    HA   SER1996           HA       SER1996  14.660   5.703  -6.593
  851    HB2  SER1996           HB2      SER1996  17.013   5.068  -8.384
  852    HB3  SER1996           HB1      SER1996  17.030   5.928  -6.840
  853    HG   SER1996           HG       SER1996  16.790   4.077  -5.765
  854    H    ASP1997           HN       ASP1997  14.241   5.209  -9.873
  855    HA   ASP1997           HA       ASP1997  14.859   7.805 -10.919
  856    HB2  ASP1997           HB2      ASP1997  12.996   5.726 -12.096
  857    HB3  ASP1997           HB1      ASP1997  13.757   7.062 -12.949
  858    H    ALA1998           HN       ALA1998  12.260   6.428  -9.185
  859    HA   ALA1998           HA       ALA1998  10.295   8.387  -9.985
  860    HB1  ALA1998           HB1      ALA1998   8.886   7.312  -8.284
  861    HB2  ALA1998           HB2      ALA1998  10.264   6.345  -7.757
  862    HB3  ALA1998           HB3      ALA1998   9.593   6.120  -9.374
  863    H    GLY1999           HN       GLY1999  12.807   8.034  -7.773
  864    HA2  GLY1999           HA2      GLY1999  13.866   9.540  -6.451
  865    HA3  GLY1999           HA1      GLY1999  12.823  10.762  -7.140
  866    H    ASP2000           HN       ASP2000  11.960  11.849  -5.671
  867    HA   ASP2000           HA       ASP2000  11.655  10.930  -2.933
  868    HB2  ASP2000           HB2      ASP2000  12.692  13.062  -3.290
  869    HB3  ASP2000           HB1      ASP2000  11.358  13.601  -4.298
  870    H    ASP2001           HN       ASP2001   9.775  11.995  -5.635
  871    HA   ASP2001           HA       ASP2001   7.269  12.219  -4.232
  872    HB2  ASP2001           HB2      ASP2001   7.649  11.785  -7.191
  873    HB3  ASP2001           HB1      ASP2001   6.224  12.377  -6.389
  874    H    SER2002           HN       SER2002   8.558  10.041  -6.658
  875    HA   SER2002           HA       SER2002   8.183   7.947  -7.244
  876    HB2  SER2002           HB2      SER2002   7.076   7.657  -4.454
  877    HB3  SER2002           HB1      SER2002   7.553   6.323  -5.541
  878    HG   SER2002           HG       SER2002   9.402   8.334  -4.972
  879    H    GLN2003           HN       GLN2003   6.288   6.259  -7.458
  880    HA   GLN2003           HA       GLN2003   3.706   7.598  -7.478
  881    HB2  GLN2003           HB2      GLN2003   3.214   7.072  -9.787
  882    HB3  GLN2003           HB1      GLN2003   4.539   8.227  -9.648
  883    HG2  GLN2003           HG2      GLN2003   6.166   6.484 -10.096
  884    HG3  GLN2003           HG1      GLN2003   4.899   5.268 -10.130
  885   HE21  GLN2003          HE21      GLN2003   3.056   7.018 -11.657
  886   HE22  GLN2003          HE22      GLN2003   3.667   6.995 -13.255
  887    HA   PRO2004           HA       PRO2004   2.236   3.416  -7.020
  888    HB2  PRO2004           HB2      PRO2004  -0.431   4.356  -6.916
  889    HB3  PRO2004           HB1      PRO2004   0.622   4.015  -5.545
  890    HG2  PRO2004           HG2      PRO2004  -0.327   6.537  -6.277
  891    HG3  PRO2004           HG1      PRO2004   1.029   6.216  -5.182
  892    HD2  PRO2004           HD2      PRO2004   1.045   6.955  -8.066
  893    HD3  PRO2004           HD1      PRO2004   2.173   7.419  -6.773
  894    H    VAL2005           HN       VAL2005   1.222   1.946  -8.331
  895    HA   VAL2005           HA       VAL2005   0.013   2.896 -10.825
  896    HB   VAL2005           HB       VAL2005   1.855   0.489 -10.483
  897   HG11  VAL2005          HG11      VAL2005   0.088   0.028 -12.100
  898   HG12  VAL2005          HG12      VAL2005   1.647   0.192 -12.909
  899   HG13  VAL2005          HG13      VAL2005   0.479   1.512 -12.972
  900   HG21  VAL2005          HG21      VAL2005   3.095   2.591 -10.525
  901   HG22  VAL2005          HG22      VAL2005   2.280   3.054 -12.019
  902   HG23  VAL2005          HG23      VAL2005   3.377   1.669 -12.002
  903    H    PHE2006           HN       PHE2006  -1.941   2.057 -11.143
  904    HA   PHE2006           HA       PHE2006  -2.768  -0.050  -9.325
  905    HB2  PHE2006           HB2      PHE2006  -5.131   0.573  -9.938
  906    HB3  PHE2006           HB1      PHE2006  -4.247   1.836  -9.115
  907    HD1  PHE2006           HD2      PHE2006  -3.586   3.870 -10.346
  908    HD2  PHE2006           HD1      PHE2006  -5.957   0.842 -12.169
  909    HE1  PHE2006           HE2      PHE2006  -4.258   5.453 -12.102
  910    HE2  PHE2006           HE1      PHE2006  -6.636   2.425 -13.924
  911    HZ   PHE2006           HZ       PHE2006  -5.783   4.734 -13.891
  912    H    LEU2007           HN       LEU2007  -2.642  -2.022 -10.022
  913    HA   LEU2007           HA       LEU2007  -2.488  -2.548 -12.832
  914    HB2  LEU2007           HB2      LEU2007  -2.385  -4.372 -10.423
  915    HB3  LEU2007           HB1      LEU2007  -2.374  -4.984 -12.056
  916    HG   LEU2007           HG       LEU2007  -0.215  -3.839 -12.466
  917   HD11  LEU2007          HD11      LEU2007  -0.398  -1.984 -10.921
  918   HD12  LEU2007          HD12      LEU2007   1.063  -2.914 -10.577
  919   HD13  LEU2007          HD13      LEU2007  -0.358  -3.095  -9.556
  920   HD21  LEU2007          HD21      LEU2007  -0.236  -6.145 -11.732
  921   HD22  LEU2007          HD22      LEU2007  -0.256  -5.630 -10.046
  922   HD23  LEU2007          HD23      LEU2007   1.152  -5.294 -11.055
  923    H    SER2008           HN       SER2008  -4.598  -3.867 -10.264
  924    HA   SER2008           HA       SER2008  -6.890  -3.363 -11.871
  925    HB2  SER2008           HB2      SER2008  -7.595  -5.755 -12.025
  926    HB3  SER2008           HB1      SER2008  -6.204  -5.351 -13.029
  927    HG   SER2008           HG       SER2008  -5.215  -6.882 -12.053
  928    H    PHE2009           HN       PHE2009  -8.692  -3.319 -10.710
  929    HA   PHE2009           HA       PHE2009  -8.563  -4.302  -7.948
  930    HB2  PHE2009           HB2      PHE2009  -8.908  -1.809  -8.226
  931    HB3  PHE2009           HB1      PHE2009 -10.375  -2.157  -9.126
  932    HD1  PHE2009           HD2      PHE2009 -12.217  -3.458  -7.880
  933    HD2  PHE2009           HD1      PHE2009  -8.970  -1.543  -5.899
  934    HE1  PHE2009           HE2      PHE2009 -13.496  -3.457  -5.777
  935    HE2  PHE2009           HE1      PHE2009 -10.242  -1.538  -3.800
  936    HZ   PHE2009           HZ       PHE2009 -12.489  -2.456  -3.722
  937    H    ASP2010           HN       ASP2010  -9.668  -6.195  -7.815
  938    HA   ASP2010           HA       ASP2010 -11.882  -6.590  -9.678
  939    HB2  ASP2010           HB2      ASP2010 -10.088  -8.321  -9.677
  940    HB3  ASP2010           HB1      ASP2010 -10.411  -8.620  -7.973
  941    H    GLU2011           HN       GLU2011 -13.807  -6.200  -8.848
  942    HA   GLU2011           HA       GLU2011 -14.089  -6.151  -5.950
  943    HB2  GLU2011           HB2      GLU2011 -16.225  -4.998  -6.342
  944    HB3  GLU2011           HB1      GLU2011 -14.888  -4.171  -7.123
  945    HG2  GLU2011           HG2      GLU2011 -15.549  -5.047  -9.268
  946    HG3  GLU2011           HG1      GLU2011 -16.816  -6.013  -8.516
  947    H    GLN2012           HN       GLN2012 -14.549  -8.253  -8.465
  948    HA   GLN2012           HA       GLN2012 -16.984  -9.477  -7.691
  949    HB2  GLN2012           HB2      GLN2012 -16.098  -9.774  -9.940
  950    HB3  GLN2012           HB1      GLN2012 -14.657 -10.542  -9.299
  951    HG2  GLN2012           HG2      GLN2012 -16.077 -12.229 -10.200
  952    HG3  GLN2012           HG1      GLN2012 -16.073 -12.387  -8.450
  953   HE21  GLN2012          HE21      GLN2012 -17.961 -13.356 -10.356
  954   HE22  GLN2012          HE22      GLN2012 -19.495 -12.670  -9.950
  955    H    THR2013           HN       THR2013 -13.584 -10.398  -7.181
  956    HA   THR2013           HA       THR2013 -14.533 -12.013  -4.943
  957    HB   THR2013           HB       THR2013 -13.191 -13.169  -6.755
  958    HG1  THR2013           HG1      THR2013 -13.205 -13.516  -4.267
  959   HG21  THR2013          HG21      THR2013 -10.741 -12.859  -6.750
  960   HG22  THR2013          HG22      THR2013 -10.918 -11.523  -5.610
  961   HG23  THR2013          HG23      THR2013 -11.576 -11.383  -7.239
  962    H    CYS2014           HN       CYS2014 -13.480  -9.040  -5.530
  963    HA   CYS2014           HA       CYS2014 -12.509  -7.397  -4.414
  964    HB2  CYS2014           HB2      CYS2014 -13.460  -9.061  -2.109
  965    HB3  CYS2014           HB1      CYS2014 -12.750  -7.463  -1.897
  966    H    THR2015           HN       THR2015 -10.659  -8.488  -5.481
  967    HA   THR2015           HA       THR2015  -8.514  -8.561  -3.524
  968    HB   THR2015           HB       THR2015  -8.804 -10.402  -5.935
  969    HG1  THR2015           HG1      THR2015  -9.974 -10.855  -3.877
  970   HG21  THR2015          HG21      THR2015  -6.563 -10.221  -3.889
  971   HG22  THR2015          HG22      THR2015  -6.451  -9.708  -5.571
  972   HG23  THR2015          HG23      THR2015  -6.682 -11.413  -5.184
  973    H    SER2016           HN       SER2016  -6.837  -7.288  -4.126
  974    HA   SER2016           HA       SER2016  -7.169  -5.948  -6.711
  975    HB2  SER2016           HB2      SER2016  -6.582  -4.594  -4.085
  976    HB3  SER2016           HB1      SER2016  -6.847  -3.816  -5.651
  977    HG   SER2016           HG       SER2016  -8.859  -5.439  -5.204
  978    H    TYR2017           HN       TYR2017  -5.321  -5.250  -7.694
  979    HA   TYR2017           HA       TYR2017  -2.790  -6.015  -6.430
  980    HB2  TYR2017           HB2      TYR2017  -3.575  -6.254  -9.356
  981    HB3  TYR2017           HB1      TYR2017  -1.968  -6.559  -8.716
  982    HD1  TYR2017           HD1      TYR2017  -5.443  -7.789  -8.814
  983    HD2  TYR2017           HD2      TYR2017  -1.449  -8.638  -7.631
  984    HE1  TYR2017           HE1      TYR2017  -6.061 -10.140  -8.426
  985    HE2  TYR2017           HE2      TYR2017  -2.053 -10.984  -7.242
  986    HH   TYR2017           HH       TYR2017  -5.084 -12.311  -8.254
  987    H    PHE2018           HN       PHE2018  -1.697  -4.243  -5.995
  988    HA   PHE2018           HA       PHE2018  -1.685  -2.060  -7.936
  989    HB2  PHE2018           HB2      PHE2018  -1.845  -1.845  -4.919
  990    HB3  PHE2018           HB1      PHE2018  -1.457  -0.507  -5.982
  991    HD1  PHE2018           HD1      PHE2018  -4.113  -2.784  -4.855
  992    HD2  PHE2018           HD2      PHE2018  -3.162   0.631  -7.193
  993    HE1  PHE2018           HE1      PHE2018  -6.503  -2.226  -5.011
  994    HE2  PHE2018           HE2      PHE2018  -5.554   1.191  -7.356
  995    HZ   PHE2018           HZ       PHE2018  -7.225  -0.243  -6.259
  996    H    SER2019           HN       SER2019   0.275  -0.853  -7.853
  997    HA   SER2019           HA       SER2019   2.469  -2.070  -6.397
  998    HB2  SER2019           HB2      SER2019   2.427  -1.493  -9.377
  999    HB3  SER2019           HB1      SER2019   3.889  -1.882  -8.484
 1000    HG   SER2019           HG       SER2019   3.289  -3.852  -9.101
 1001    H    TRP2020           HN       TRP2020   4.366  -0.587  -6.416
 1002    HA   TRP2020           HA       TRP2020   3.782   2.213  -6.945
 1003    HB2  TRP2020           HB2      TRP2020   2.987   1.713  -4.598
 1004    HB3  TRP2020           HB1      TRP2020   4.612   1.191  -4.200
 1005    HD1  TRP2020           HD1      TRP2020   6.482   3.385  -4.830
 1006    HE1  TRP2020           HE1      TRP2020   6.251   5.792  -3.915
 1007    HE3  TRP2020           HE3      TRP2020   1.521   3.432  -3.678
 1008    HZ2  TRP2020           HZ2      TRP2020   4.321   7.469  -2.903
 1009    HZ3  TRP2020           HZ3      TRP2020   0.566   5.485  -2.725
 1010    HH2  TRP2020           HH2      TRP2020   1.935   7.462  -2.345
 1011    H    HIS2021           HN       HIS2021   5.578   2.989  -7.880
 1012    HA   HIS2021           HA       HIS2021   8.107   1.528  -7.595
 1013    HB2  HIS2021           HB2      HIS2021   7.317   3.751  -9.506
 1014    HB3  HIS2021           HB1      HIS2021   8.904   3.004  -9.471
 1015    HD1  HIS2021           HD1      HIS2021   9.141   0.694 -10.739
 1016    HD2  HIS2021           HD2      HIS2021   5.246   2.183 -10.598
 1017    HE1  HIS2021           HE1      HIS2021   7.829  -0.696 -12.300
 1018    HE2  HIS2021           HE2      HIS2021   5.632   0.442 -12.473
 1019    H    THR2022           HN       THR2022   9.348   2.230  -5.973
 1020    HA   THR2022           HA       THR2022   9.663   5.080  -5.666
 1021    HB   THR2022           HB       THR2022   7.846   4.639  -4.102
 1022    HG1  THR2022           HG1      THR2022   9.286   6.185  -3.462
 1023   HG21  THR2022          HG21      THR2022   8.242   2.274  -3.619
 1024   HG22  THR2022          HG22      THR2022   8.151   3.210  -2.129
 1025   HG23  THR2022          HG23      THR2022   9.720   2.691  -2.748
 1026    H    SER2023           HN       SER2023  11.488   5.723  -4.563
 1027    HA   SER2023           HA       SER2023  13.777   4.161  -4.952
 1028    HB2  SER2023           HB2      SER2023  13.429   6.592  -3.239
 1029    HB3  SER2023           HB1      SER2023  14.901   6.063  -4.066
 1030    HG   SER2023           HG       SER2023  12.975   7.635  -4.964
 1031    H    LEU2024           HN       LEU2024  11.561   4.510  -2.260
 1032    HA   LEU2024           HA       LEU2024  13.502   3.553  -0.315
 1033    HB2  LEU2024           HB2      LEU2024  10.632   4.403  -0.031
 1034    HB3  LEU2024           HB1      LEU2024  11.537   3.684   1.276
 1035    HG   LEU2024           HG       LEU2024  13.130   5.641   1.122
 1036   HD11  LEU2024          HD11      LEU2024  12.616   6.396  -1.138
 1037   HD12  LEU2024          HD12      LEU2024  12.348   7.672   0.048
 1038   HD13  LEU2024          HD13      LEU2024  10.974   6.799  -0.637
 1039   HD21  LEU2024          HD21      LEU2024  11.627   7.117   2.312
 1040   HD22  LEU2024          HD22      LEU2024  11.445   5.435   2.816
 1041   HD23  LEU2024          HD23      LEU2024  10.253   6.170   1.745
 1042    H    ALA2025           HN       ALA2025  11.544   2.133  -2.515
 1043    HA   ALA2025           HA       ALA2025  10.330   0.004  -1.056
 1044    HB1  ALA2025           HB1      ALA2025  10.005  -1.019  -3.240
 1045    HB2  ALA2025           HB2      ALA2025  11.126   0.151  -3.948
 1046    HB3  ALA2025           HB3      ALA2025   9.594   0.698  -3.273
 1047    H    CYS2026           HN       CYS2026  13.401   0.510  -2.475
 1048    HA   CYS2026           HA       CYS2026  14.360  -1.915  -1.283
 1049    HB2  CYS2026           HB2      CYS2026  14.966  -1.098  -4.149
 1050    HB3  CYS2026           HB1      CYS2026  15.659  -2.477  -3.286
 1051    H    GLU2027           HN       GLU2027  17.073  -1.540  -1.866
 1052    HA   GLU2027           HA       GLU2027  17.303   1.073  -0.633
 1053    HB2  GLU2027           HB2      GLU2027  19.359  -1.118  -0.854
 1054    HB3  GLU2027           HB1      GLU2027  19.730   0.480  -0.192
 1055    HG2  GLU2027           HG2      GLU2027  17.716   0.016   1.360
 1056    HG3  GLU2027           HG1      GLU2027  17.953  -1.663   0.886
 1057    H    GLU2028           HN       GLU2028  18.966  -0.661  -3.184
 1058    HA   GLU2028           HA       GLU2028  18.279   0.794  -5.268
 1059    HB2  GLU2028           HB2      GLU2028  19.551   2.772  -4.107
 1060    HB3  GLU2028           HB1      GLU2028  21.012   1.885  -4.545
 1061    HG2  GLU2028           HG2      GLU2028  20.369   1.949  -6.889
 1062    HG3  GLU2028           HG1      GLU2028  18.886   2.796  -6.473
 1063    H    GLU2029           HN       GLU2029  18.354  -1.187  -5.990
 1064    HA   GLU2029           HA       GLU2029  20.924  -2.513  -6.026
 1065    HB2  GLU2029           HB2      GLU2029  18.102  -3.528  -6.497
 1066    HB3  GLU2029           HB1      GLU2029  19.529  -4.488  -6.847
 1067    HG2  GLU2029           HG2      GLU2029  18.625  -5.173  -4.727
 1068    HG3  GLU2029           HG1      GLU2029  20.167  -4.380  -4.464
 1069    H    VAL2030           HN       VAL2030  21.992  -1.678  -7.560
 1070    HA   VAL2030           HA       VAL2030  20.866  -0.398  -9.802
 1071    HB   VAL2030           HB       VAL2030  23.751  -1.218  -9.372
 1072   HG11  VAL2030          HG11      VAL2030  24.274   0.664 -10.832
 1073   HG12  VAL2030          HG12      VAL2030  22.553   0.954 -11.074
 1074   HG13  VAL2030          HG13      VAL2030  23.284  -0.542 -11.653
 1075   HG21  VAL2030          HG21      VAL2030  24.079   1.021  -8.420
 1076   HG22  VAL2030          HG22      VAL2030  22.949   0.066  -7.460
 1077   HG23  VAL2030          HG23      VAL2030  22.345   1.321  -8.538
 1078    HA   PRO2031           HA       PRO2031  20.250  -4.186 -12.196
 1079    HB2  PRO2031           HB2      PRO2031  19.435  -2.197 -14.225
 1080    HB3  PRO2031           HB1      PRO2031  18.540  -3.579 -13.590
 1081    HG2  PRO2031           HG2      PRO2031  17.916  -1.042 -12.944
 1082    HG3  PRO2031           HG1      PRO2031  17.706  -2.387 -11.811
 1083    HD2  PRO2031           HD2      PRO2031  19.780  -0.241 -11.812
 1084    HD3  PRO2031           HD1      PRO2031  19.045  -1.135 -10.492
 1085    H    ARG2032           HN       ARG2032  21.681  -1.181 -13.410
 1086    HA   ARG2032           HA       ARG2032  23.506  -2.768 -15.077
 1087    HB2  ARG2032           HB2      ARG2032  22.323  -0.042 -15.645
 1088    HB3  ARG2032           HB1      ARG2032  23.512  -0.865 -16.641
 1089    HG2  ARG2032           HG2      ARG2032  21.951  -2.512 -17.298
 1090    HG3  ARG2032           HG1      ARG2032  20.789  -1.992 -16.074
 1091    HD2  ARG2032           HD2      ARG2032  21.733  -0.322 -18.399
 1092    HD3  ARG2032           HD1      ARG2032  20.195  -1.189 -18.329
 1093    HE   ARG2032           HE       ARG2032  19.943   0.247 -16.171
 1094   HH11  ARG2032          HH11      ARG2032  21.230   1.320 -19.283
 1095   HH12  ARG2032          HH12      ARG2032  20.814   2.951 -19.055
 1096   HH21  ARG2032          HH21      ARG2032  19.367   2.425 -15.841
 1097   HH22  ARG2032          HH22      ARG2032  19.663   3.623 -17.010
  Start of MODEL   11
    1    H1   MET1885           HT1      MET1885   5.694  11.935  -0.167
    2    H2   MET1885           HT2      MET1885   7.217  12.602  -0.042
    3    H3   MET1885           HT3      MET1885   6.024  13.055   1.065
    4    HA   MET1885           HA       MET1885   6.000  10.889   2.025
    5    HB2  MET1885           HB2      MET1885   7.654   9.216   1.364
    6    HB3  MET1885           HB1      MET1885   6.696   9.652  -0.042
    7    HG2  MET1885           HG2      MET1885   8.494  11.129  -0.804
    8    HG3  MET1885           HG1      MET1885   9.451  10.670   0.600
    9    HE1  MET1885           HE1      MET1885  11.470  10.092  -0.956
   10    HE2  MET1885           HE2      MET1885  10.515  10.563  -2.361
   11    HE3  MET1885           HE3      MET1885  11.363   9.016  -2.352
   12    H    LYS1886           HN       LYS1886   7.256  10.709   3.897
   13    HA   LYS1886           HA       LYS1886   9.851  11.671   3.949
   14    HB2  LYS1886           HB2      LYS1886   9.653  13.470   5.650
   15    HB3  LYS1886           HB1      LYS1886   8.931  13.900   4.123
   16    HG2  LYS1886           HG2      LYS1886   7.535  14.796   5.790
   17    HG3  LYS1886           HG1      LYS1886   6.689  13.363   5.207
   18    HD2  LYS1886           HD2      LYS1886   7.298  12.122   7.148
   19    HD3  LYS1886           HD1      LYS1886   8.454  13.356   7.652
   20    HE2  LYS1886           HE2      LYS1886   5.476  13.789   7.450
   21    HE3  LYS1886           HE1      LYS1886   6.319  13.356   8.935
   22    HZ1  LYS1886           HZ1      LYS1886   6.943  15.809   7.357
   23    HZ2  LYS1886           HZ2      LYS1886   7.505  15.422   8.893
   24    HZ3  LYS1886           HZ3      LYS1886   5.883  15.757   8.654
   25    H    SER1887           HN       SER1887  11.037  10.729   5.337
   26    HA   SER1887           HA       SER1887  10.325   8.504   6.619
   27    HB2  SER1887           HB2      SER1887  12.573  10.202   7.562
   28    HB3  SER1887           HB1      SER1887  12.457   8.462   7.180
   29    HG   SER1887           HG       SER1887  13.598   9.644   5.595
   30    H    ASN1888           HN       ASN1888   9.059   8.235   8.267
   31    HA   ASN1888           HA       ASN1888   9.579   9.585  10.790
   32    HB2  ASN1888           HB2      ASN1888   7.582  10.811   9.804
   33    HB3  ASN1888           HB1      ASN1888   6.781   9.245   9.694
   34   HD21  ASN1888          HD21      ASN1888   5.924   8.255  11.609
   35   HD22  ASN1888          HD22      ASN1888   5.834   9.122  13.070
   36    H    VAL1889           HN       VAL1889   9.948   7.948  12.035
   37    HA   VAL1889           HA       VAL1889   9.446   5.315  11.078
   38    HB   VAL1889           HB       VAL1889  11.526   5.814  12.262
   39   HG11  VAL1889          HG11      VAL1889   9.871   6.137  14.744
   40   HG12  VAL1889          HG12      VAL1889  10.786   7.392  13.911
   41   HG13  VAL1889          HG13      VAL1889  11.630   6.055  14.691
   42   HG21  VAL1889          HG21      VAL1889   9.868   3.719  13.661
   43   HG22  VAL1889          HG22      VAL1889  11.627   3.832  13.723
   44   HG23  VAL1889          HG23      VAL1889  10.818   3.502  12.190
   45    H    GLN1890           HN       GLN1890   7.610   4.307  11.127
   46    HA   GLN1890           HA       GLN1890   5.710   4.753  13.242
   47    HB2  GLN1890           HB2      GLN1890   5.688   2.680  11.026
   48    HB3  GLN1890           HB1      GLN1890   4.364   2.972  12.139
   49    HG2  GLN1890           HG2      GLN1890   5.443   4.843  10.052
   50    HG3  GLN1890           HG1      GLN1890   3.886   4.026  10.033
   51   HE21  GLN1890          HE21      GLN1890   2.173   4.866  11.355
   52   HE22  GLN1890          HE22      GLN1890   2.309   6.394  12.094
   53    H    ASN1891           HN       ASN1891   4.744   2.393  14.010
   54    HA   ASN1891           HA       ASN1891   6.723   1.640  15.897
   55    HB2  ASN1891           HB2      ASN1891   3.969   0.480  15.440
   56    HB3  ASN1891           HB1      ASN1891   5.024   0.012  16.772
   57   HD21  ASN1891          HD21      ASN1891   5.443   1.503  18.405
   58   HD22  ASN1891          HD22      ASN1891   4.494   2.932  18.631
   59    H    ASP1892           HN       ASP1892   5.815   0.240  12.901
   60    HA   ASP1892           HA       ASP1892   7.980  -1.671  13.271
   61    HB2  ASP1892           HB2      ASP1892   5.983  -3.006  13.760
   62    HB3  ASP1892           HB1      ASP1892   5.227  -2.524  12.255
   63    H    CYS1893           HN       CYS1893   5.900  -1.994  10.466
   64    HA   CYS1893           HA       CYS1893   5.932  -1.231   8.373
   65    HB2  CYS1893           HB2      CYS1893   5.973   0.991   9.704
   66    HB3  CYS1893           HB1      CYS1893   7.667   1.073   9.236
   67    H    ARG1894           HN       ARG1894   8.027  -3.083   9.281
   68    HA   ARG1894           HA       ARG1894  10.002  -2.552   7.196
   69    HB2  ARG1894           HB2      ARG1894  11.867  -3.025   8.700
   70    HB3  ARG1894           HB1      ARG1894  11.053  -1.507   9.033
   71    HG2  ARG1894           HG2      ARG1894  10.068  -2.326  10.985
   72    HG3  ARG1894           HG1      ARG1894  10.390  -4.004  10.543
   73    HD2  ARG1894           HD2      ARG1894  11.872  -3.206  12.320
   74    HD3  ARG1894           HD1      ARG1894  12.743  -3.686  10.876
   75    HE   ARG1894           HE       ARG1894  12.707  -1.141  10.421
   76   HH11  ARG1894          HH11      ARG1894  12.792  -2.576  13.664
   77   HH12  ARG1894          HH12      ARG1894  13.997  -1.537  14.273
   78   HH21  ARG1894          HH21      ARG1894  14.378   0.348  11.278
   79   HH22  ARG1894          HH22      ARG1894  14.836   0.221  12.919
   80    H    VAL1895           HN       VAL1895  11.342  -4.314   6.661
   81    HA   VAL1895           HA       VAL1895  11.054  -6.850   7.954
   82    HB   VAL1895           HB       VAL1895   9.112  -6.826   6.345
   83   HG11  VAL1895          HG11      VAL1895  11.227  -6.643   4.214
   84   HG12  VAL1895          HG12      VAL1895  10.006  -5.431   4.599
   85   HG13  VAL1895          HG13      VAL1895   9.522  -6.996   3.938
   86   HG21  VAL1895          HG21      VAL1895  11.286  -8.816   5.705
   87   HG22  VAL1895          HG22      VAL1895   9.582  -9.007   5.297
   88   HG23  VAL1895          HG23      VAL1895  10.083  -8.952   6.987
   89    H    THR1896           HN       THR1896  12.909  -8.082   7.576
   90    HA   THR1896           HA       THR1896  14.978  -6.661   6.106
   91    HB   THR1896           HB       THR1896  15.228  -9.103   7.898
   92    HG1  THR1896           HG1      THR1896  14.529  -7.281   9.086
   93   HG21  THR1896          HG21      THR1896  17.615  -8.480   7.964
   94   HG22  THR1896          HG22      THR1896  17.297  -7.158   6.838
   95   HG23  THR1896          HG23      THR1896  17.094  -8.828   6.316
   96    H    ASN1897           HN       ASN1897  15.693  -7.342   4.170
   97    HA   ASN1897           HA       ASN1897  14.592  -9.837   3.103
   98    HB2  ASN1897           HB2      ASN1897  14.180  -7.897   1.697
   99    HB3  ASN1897           HB1      ASN1897  15.885  -7.473   1.714
  100   HD21  ASN1897          HD21      ASN1897  16.083  -7.560  -0.532
  101   HD22  ASN1897          HD22      ASN1897  16.008  -9.009  -1.429
  102    HA   PRO1898           HA       PRO1898  18.652 -11.493   4.055
  103    HB2  PRO1898           HB2      PRO1898  18.104 -14.025   3.213
  104    HB3  PRO1898           HB1      PRO1898  17.598 -13.394   4.785
  105    HG2  PRO1898           HG2      PRO1898  16.031 -13.621   2.244
  106    HG3  PRO1898           HG1      PRO1898  15.541 -14.029   3.901
  107    HD2  PRO1898           HD2      PRO1898  14.788 -11.740   2.739
  108    HD3  PRO1898           HD1      PRO1898  15.175 -11.818   4.471
  109    H    ALA1899           HN       ALA1899  17.059 -11.409   0.968
  110    HA   ALA1899           HA       ALA1899  19.174 -12.514  -0.564
  111    HB1  ALA1899           HB1      ALA1899  16.892 -12.329  -1.450
  112    HB2  ALA1899           HB2      ALA1899  18.054 -11.516  -2.500
  113    HB3  ALA1899           HB3      ALA1899  17.025 -10.571  -1.423
  114    H    THR1900           HN       THR1900  18.215  -9.141   0.060
  115    HA   THR1900           HA       THR1900  20.648  -8.108  -1.034
  116    HB   THR1900           HB       THR1900  18.677  -6.686   0.785
  117    HG1  THR1900           HG1      THR1900  18.231  -6.012  -1.725
  118   HG21  THR1900          HG21      THR1900  19.464  -4.688  -0.399
  119   HG22  THR1900          HG22      THR1900  20.584  -5.684  -1.329
  120   HG23  THR1900          HG23      THR1900  20.794  -5.514   0.415
  121    H    GLY1901           HN       GLY1901  19.341  -8.735   2.223
  122    HA2  GLY1901           HA2      GLY1901  20.712  -9.426   4.028
  123    HA3  GLY1901           HA1      GLY1901  22.055  -8.528   3.323
  124    H    HIS1902           HN       HIS1902  19.851  -6.488   2.761
  125    HA   HIS1902           HA       HIS1902  20.211  -5.088   5.277
  126    HB2  HIS1902           HB2      HIS1902  19.901  -4.094   2.471
  127    HB3  HIS1902           HB1      HIS1902  19.449  -3.049   3.811
  128    HD1  HIS1902           HD1      HIS1902  21.552  -1.627   2.677
  129    HD2  HIS1902           HD2      HIS1902  22.470  -5.044   4.858
  130    HE1  HIS1902           HE1      HIS1902  23.958  -1.415   3.286
  131    HE2  HIS1902           HE2      HIS1902  24.217  -3.184   5.020
  132    H    LEU1903           HN       LEU1903  18.568  -3.595   5.930
  133    HA   LEU1903           HA       LEU1903  16.063  -4.991   6.193
  134    HB2  LEU1903           HB2      LEU1903  17.103  -4.219   8.175
  135    HB3  LEU1903           HB1      LEU1903  17.389  -2.636   7.495
  136    HG   LEU1903           HG       LEU1903  14.984  -2.148   7.632
  137   HD11  LEU1903          HD11      LEU1903  13.540  -3.579   8.938
  138   HD12  LEU1903          HD12      LEU1903  14.784  -4.838   8.969
  139   HD13  LEU1903          HD13      LEU1903  14.042  -4.343   7.436
  140   HD21  LEU1903          HD21      LEU1903  16.230  -3.078  10.204
  141   HD22  LEU1903          HD22      LEU1903  14.873  -1.962  10.053
  142   HD23  LEU1903          HD23      LEU1903  16.459  -1.509   9.431
  143    H    PHE1904           HN       PHE1904  14.217  -4.387   5.204
  144    HA   PHE1904           HA       PHE1904  14.231  -1.951   3.602
  145    HB2  PHE1904           HB2      PHE1904  12.447  -4.402   3.545
  146    HB3  PHE1904           HB1      PHE1904  12.161  -2.960   2.592
  147    HD1  PHE1904           HD2      PHE1904  15.614  -3.299   2.546
  148    HD2  PHE1904           HD1      PHE1904  12.103  -5.177   1.046
  149    HE1  PHE1904           HE2      PHE1904  16.910  -4.261   0.691
  150    HE2  PHE1904           HE1      PHE1904  13.338  -6.116  -0.779
  151    HZ   PHE1904           HZ       PHE1904  15.789  -5.680  -0.987
  152    H    ASP1905           HN       ASP1905  13.065  -0.314   4.332
  153    HA   ASP1905           HA       ASP1905  10.852  -0.860   6.201
  154    HB2  ASP1905           HB2      ASP1905  12.644   1.617   6.331
  155    HB3  ASP1905           HB1      ASP1905  11.263   1.237   7.343
  156    H    LEU1906           HN       LEU1906   9.066   0.539   5.849
  157    HA   LEU1906           HA       LEU1906   9.324   2.256   3.463
  158    HB2  LEU1906           HB2      LEU1906   6.976   0.634   4.393
  159    HB3  LEU1906           HB1      LEU1906   6.776   1.993   3.309
  160    HG   LEU1906           HG       LEU1906   8.405  -0.478   2.745
  161   HD11  LEU1906          HD11      LEU1906   5.790   0.516   1.644
  162   HD12  LEU1906          HD12      LEU1906   6.016  -0.893   2.695
  163   HD13  LEU1906          HD13      LEU1906   6.697  -0.875   1.063
  164   HD21  LEU1906          HD21      LEU1906   7.801   1.931   1.031
  165   HD22  LEU1906          HD22      LEU1906   8.615   0.463   0.491
  166   HD23  LEU1906          HD23      LEU1906   9.377   1.499   1.694
  167    H    THR1907           HN       THR1907   9.773   2.738   6.260
  168    HA   THR1907           HA       THR1907   7.581   4.336   7.108
  169    HB   THR1907           HB       THR1907   9.240   2.885   8.540
  170    HG1  THR1907           HG1      THR1907   8.272   5.434   9.364
  171   HG21  THR1907          HG21      THR1907  11.274   4.081   7.918
  172   HG22  THR1907          HG22      THR1907  10.965   4.268   9.650
  173   HG23  THR1907          HG23      THR1907  10.581   5.582   8.527
  174    H    SER1908           HN       SER1908  10.130   4.918   4.993
  175    HA   SER1908           HA       SER1908  10.178   7.768   5.500
  176    HB2  SER1908           HB2      SER1908  12.267   6.561   4.839
  177    HB3  SER1908           HB1      SER1908  11.502   6.110   3.321
  178    HG   SER1908           HG       SER1908  12.140   8.702   4.253
  179    H    LEU1909           HN       LEU1909   8.672   5.390   3.557
  180    HA   LEU1909           HA       LEU1909   7.794   7.224   1.485
  181    HB2  LEU1909           HB2      LEU1909   8.332   4.599   1.379
  182    HB3  LEU1909           HB1      LEU1909   6.622   4.466   1.720
  183    HG   LEU1909           HG       LEU1909   7.847   5.832  -0.664
  184   HD11  LEU1909          HD11      LEU1909   6.320   3.261  -0.398
  185   HD12  LEU1909          HD12      LEU1909   8.036   3.469  -0.735
  186   HD13  LEU1909          HD13      LEU1909   6.826   4.049  -1.893
  187   HD21  LEU1909          HD21      LEU1909   4.953   5.358   0.004
  188   HD22  LEU1909          HD22      LEU1909   5.573   6.050  -1.505
  189   HD23  LEU1909          HD23      LEU1909   5.774   6.915   0.025
  190    H    LYS1910           HN       LYS1910   6.466   5.577   4.267
  191    HA   LYS1910           HA       LYS1910   3.751   6.162   4.040
  192    HB2  LYS1910           HB2      LYS1910   3.708   6.128   6.551
  193    HB3  LYS1910           HB1      LYS1910   4.512   4.725   5.882
  194    HG2  LYS1910           HG2      LYS1910   6.354   5.168   6.924
  195    HG3  LYS1910           HG1      LYS1910   6.376   6.827   6.337
  196    HD2  LYS1910           HD2      LYS1910   4.681   5.906   8.632
  197    HD3  LYS1910           HD1      LYS1910   6.322   6.515   8.830
  198    HE2  LYS1910           HE2      LYS1910   3.976   8.005   7.668
  199    HE3  LYS1910           HE1      LYS1910   4.723   8.279   9.242
  200    HZ1  LYS1910           HZ1      LYS1910   6.816   8.877   8.022
  201    HZ2  LYS1910           HZ2      LYS1910   5.512   9.896   7.714
  202    HZ3  LYS1910           HZ3      LYS1910   5.955   8.772   6.568
  203    H    ARG1911           HN       ARG1911   2.495   7.787   5.117
  204    HA   ARG1911           HA       ARG1911   3.873  10.207   5.910
  205    HB2  ARG1911           HB2      ARG1911   2.427  11.641   4.549
  206    HB3  ARG1911           HB1      ARG1911   3.313  10.536   3.514
  207    HG2  ARG1911           HG2      ARG1911   1.280   9.111   3.408
  208    HG3  ARG1911           HG1      ARG1911   0.419  10.358   4.311
  209    HD2  ARG1911           HD2      ARG1911   1.783  10.694   1.657
  210    HD3  ARG1911           HD1      ARG1911   0.046  10.589   1.917
  211    HE   ARG1911           HE       ARG1911   0.211  12.679   3.166
  212   HH11  ARG1911          HH11      ARG1911   2.850  11.868   0.912
  213   HH12  ARG1911          HH12      ARG1911   3.299  13.485   0.620
  214   HH21  ARG1911          HH21      ARG1911   0.858  14.949   2.761
  215   HH22  ARG1911          HH22      ARG1911   2.160  15.266   1.714
  216    H    GLU1912           HN       GLU1912   1.735  11.765   6.601
  217    HA   GLU1912           HA       GLU1912   0.543  10.081   8.618
  218    HB2  GLU1912           HB2      GLU1912   1.344  12.322   9.226
  219    HB3  GLU1912           HB1      GLU1912   0.194  13.034   8.100
  220    HG2  GLU1912           HG2      GLU1912  -1.655  12.162   9.413
  221    HG3  GLU1912           HG1      GLU1912  -0.518  11.410  10.530
  222    H    SER1913           HN       SER1913  -0.617  12.169   5.990
  223    HA   SER1913           HA       SER1913  -3.303  11.469   6.368
  224    HB2  SER1913           HB2      SER1913  -3.594  12.562   4.119
  225    HB3  SER1913           HB1      SER1913  -2.826  13.547   5.368
  226    HG   SER1913           HG       SER1913  -1.751  13.680   3.373
  227    H    GLY1914           HN       GLY1914  -1.850  10.959   3.228
  228    HA2  GLY1914           HA2      GLY1914  -1.696   8.263   3.022
  229    HA3  GLY1914           HA1      GLY1914  -3.425   8.622   2.846
  230    H    TYR1915           HN       TYR1915  -2.407   7.528   0.729
  231    HA   TYR1915           HA       TYR1915  -1.709   9.703  -1.052
  232    HB2  TYR1915           HB2      TYR1915  -1.135   6.741  -1.230
  233    HB3  TYR1915           HB1      TYR1915  -0.883   7.862  -2.573
  234    HD1  TYR1915           HD2      TYR1915   0.705   9.624  -2.396
  235    HD2  TYR1915           HD1      TYR1915   0.351   6.698   0.596
  236    HE1  TYR1915           HE2      TYR1915   2.863  10.398  -1.436
  237    HE2  TYR1915           HE1      TYR1915   2.500   7.433   1.617
  238    HH   TYR1915           HH       TYR1915   4.513   8.657   0.998
  239    H    THR1916           HN       THR1916  -2.826  10.002  -2.813
  240    HA   THR1916           HA       THR1916  -5.363   8.515  -3.040
  241    HB   THR1916           HB       THR1916  -4.925  11.462  -3.473
  242    HG1  THR1916           HG1      THR1916  -5.615  10.052  -1.174
  243   HG21  THR1916          HG21      THR1916  -7.349  11.492  -3.787
  244   HG22  THR1916          HG22      THR1916  -7.356   9.720  -3.492
  245   HG23  THR1916          HG23      THR1916  -6.524  10.369  -4.892
  246    H    ILE1917           HN       ILE1917  -5.767   7.619  -4.534
  247    HA   ILE1917           HA       ILE1917  -4.922   8.511  -7.116
  248    HB   ILE1917           HB       ILE1917  -4.785   6.055  -7.581
  249   HG12  ILE1917          HG12      ILE1917  -4.372   6.003  -4.612
  250   HG13  ILE1917          HG11      ILE1917  -5.425   4.999  -5.594
  251   HG21  ILE1917          HG21      ILE1917  -2.866   7.515  -7.887
  252   HG22  ILE1917          HG22      ILE1917  -2.287   6.029  -7.138
  253   HG23  ILE1917          HG23      ILE1917  -2.516   7.478  -6.161
  254   HD11  ILE1917          HD11      ILE1917  -2.439   4.872  -5.421
  255   HD12  ILE1917          HD12      ILE1917  -3.412   3.850  -6.493
  256   HD13  ILE1917          HD13      ILE1917  -3.567   3.719  -4.730
  257    H    THR1918           HN       THR1918  -6.306   7.415  -8.719
  258    HA   THR1918           HA       THR1918  -9.014   7.418  -7.685
  259    HB   THR1918           HB       THR1918  -8.042   7.376 -10.564
  260    HG1  THR1918           HG1      THR1918  -7.335   9.203  -9.427
  261   HG21  THR1918          HG21      THR1918 -10.717   8.173  -9.373
  262   HG22  THR1918          HG22      THR1918 -10.407   6.692 -10.278
  263   HG23  THR1918          HG23      THR1918 -10.284   8.258 -11.080
  264    H    ASP1919           HN       ASP1919 -10.465   5.749  -8.038
  265    HA   ASP1919           HA       ASP1919  -9.363   3.088  -8.226
  266    HB2  ASP1919           HB2      ASP1919 -11.446   2.350  -7.390
  267    HB3  ASP1919           HB1      ASP1919 -11.295   3.920  -6.623
  268    H    SER1920           HN       SER1920 -11.761   1.996  -9.587
  269    HA   SER1920           HA       SER1920 -11.275   1.757 -12.191
  270    HB2  SER1920           HB2      SER1920 -13.782   1.624 -12.520
  271    HB3  SER1920           HB1      SER1920 -13.154   0.648 -11.197
  272    HG   SER1920           HG       SER1920 -13.848   2.437  -9.738
  273    H    HIS1921           HN       HIS1921 -12.874   4.628 -10.760
  274    HA   HIS1921           HA       HIS1921 -11.871   6.714 -12.063
  275    HB2  HIS1921           HB2      HIS1921 -12.555   5.655 -14.282
  276    HB3  HIS1921           HB1      HIS1921 -14.229   5.873 -13.801
  277    HD1  HIS1921           HD1      HIS1921 -11.128   7.983 -14.567
  278    HD2  HIS1921           HD2      HIS1921 -15.284   8.319 -14.498
  279    HE1  HIS1921           HE1      HIS1921 -11.640  10.201 -15.556
  280    HE2  HIS1921           HE2      HIS1921 -14.093  10.162 -15.896
  281    H    ASN1922           HN       ASN1922 -14.508   5.158 -10.719
  282    HA   ASN1922           HA       ASN1922 -16.396   7.301 -10.697
  283    HB2  ASN1922           HB2      ASN1922 -16.391   4.741  -9.097
  284    HB3  ASN1922           HB1      ASN1922 -17.743   5.843  -9.273
  285   HD21  ASN1922          HD21      ASN1922 -15.857   3.322 -10.783
  286   HD22  ASN1922          HD22      ASN1922 -16.915   3.056 -12.090
  287    H    ARG1923           HN       ARG1923 -13.934   6.151  -8.426
  288    HA   ARG1923           HA       ARG1923 -14.640   8.328  -6.648
  289    HB2  ARG1923           HB2      ARG1923 -14.909   6.833  -4.721
  290    HB3  ARG1923           HB1      ARG1923 -16.125   6.545  -5.960
  291    HG2  ARG1923           HG2      ARG1923 -14.482   4.720  -6.775
  292    HG3  ARG1923           HG1      ARG1923 -13.809   4.865  -5.154
  293    HD2  ARG1923           HD2      ARG1923 -15.427   3.095  -5.217
  294    HD3  ARG1923           HD1      ARG1923 -16.030   4.422  -4.223
  295    HE   ARG1923           HE       ARG1923 -17.634   4.896  -5.778
  296   HH11  ARG1923          HH11      ARG1923 -15.392   2.629  -7.369
  297   HH12  ARG1923          HH12      ARG1923 -16.565   1.823  -8.273
  298   HH21  ARG1923          HH21      ARG1923 -19.309   3.818  -7.153
  299   HH22  ARG1923          HH22      ARG1923 -18.849   2.529  -8.160
  300    H    LYS1924           HN       LYS1924 -13.165   7.425  -4.433
  301    HA   LYS1924           HA       LYS1924 -10.455   7.843  -5.475
  302    HB2  LYS1924           HB2      LYS1924 -11.720   8.419  -2.820
  303    HB3  LYS1924           HB1      LYS1924 -10.011   8.580  -3.149
  304    HG2  LYS1924           HG2      LYS1924 -10.450  10.350  -4.734
  305    HG3  LYS1924           HG1      LYS1924 -12.193  10.130  -4.527
  306    HD2  LYS1924           HD2      LYS1924 -11.222  12.030  -3.186
  307    HD3  LYS1924           HD1      LYS1924 -12.083  10.823  -2.226
  308    HE2  LYS1924           HE2      LYS1924  -9.928   9.767  -1.662
  309    HE3  LYS1924           HE1      LYS1924  -9.094  10.996  -2.605
  310    HZ1  LYS1924           HZ1      LYS1924  -9.751  12.658  -1.075
  311    HZ2  LYS1924           HZ2      LYS1924  -9.140  11.341  -0.167
  312    HZ3  LYS1924           HZ3      LYS1924 -10.800  11.607  -0.263
  313    H    ILE1925           HN       ILE1925  -8.812   6.503  -4.913
  314    HA   ILE1925           HA       ILE1925  -9.353   4.382  -2.990
  315    HB   ILE1925           HB       ILE1925  -7.023   4.680  -4.936
  316   HG12  ILE1925          HG12      ILE1925  -9.339   2.742  -4.945
  317   HG13  ILE1925          HG11      ILE1925  -9.114   4.077  -6.062
  318   HG21  ILE1925          HG21      ILE1925  -6.373   3.579  -2.860
  319   HG22  ILE1925          HG22      ILE1925  -6.390   2.417  -4.188
  320   HG23  ILE1925          HG23      ILE1925  -7.713   2.444  -3.023
  321   HD11  ILE1925          HD11      ILE1925  -7.082   3.011  -6.950
  322   HD12  ILE1925          HD12      ILE1925  -8.465   1.932  -7.100
  323   HD13  ILE1925          HD13      ILE1925  -7.283   1.681  -5.817
  324    H    GLU1926           HN       GLU1926  -8.900   5.087  -1.122
  325    HA   GLU1926           HA       GLU1926  -6.762   7.069  -0.717
  326    HB2  GLU1926           HB2      GLU1926  -9.128   7.455   0.093
  327    HB3  GLU1926           HB1      GLU1926  -8.878   6.124   1.209
  328    HG2  GLU1926           HG2      GLU1926  -8.536   8.090   2.422
  329    HG3  GLU1926           HG1      GLU1926  -6.938   7.408   2.124
  330    H    LEU1927           HN       LEU1927  -4.851   6.135  -0.118
  331    HA   LEU1927           HA       LEU1927  -4.907   4.117   1.952
  332    HB2  LEU1927           HB2      LEU1927  -3.536   2.508   0.864
  333    HB3  LEU1927           HB1      LEU1927  -4.999   2.644  -0.054
  334    HG   LEU1927           HG       LEU1927  -2.258   3.709  -0.775
  335   HD11  LEU1927          HD11      LEU1927  -2.383   2.060  -2.563
  336   HD12  LEU1927          HD12      LEU1927  -3.931   1.498  -1.932
  337   HD13  LEU1927          HD13      LEU1927  -2.465   1.320  -0.966
  338   HD21  LEU1927          HD21      LEU1927  -4.817   3.842  -2.373
  339   HD22  LEU1927          HD22      LEU1927  -3.211   4.264  -2.962
  340   HD23  LEU1927          HD23      LEU1927  -3.952   5.214  -1.678
  341    H    ASN1928           HN       ASN1928  -3.141   4.100   3.171
  342    HA   ASN1928           HA       ASN1928  -1.067   6.079   2.473
  343    HB2  ASN1928           HB2      ASN1928  -2.364   6.139   4.732
  344    HB3  ASN1928           HB1      ASN1928  -1.409   4.728   5.151
  345   HD21  ASN1928          HD21      ASN1928  -1.438   7.173   6.507
  346   HD22  ASN1928          HD22      ASN1928   0.145   7.851   6.450
  347    H    VAL1929           HN       VAL1929   1.138   5.355   2.659
  348    HA   VAL1929           HA       VAL1929   1.384   2.584   1.950
  349    HB   VAL1929           HB       VAL1929   3.405   4.838   2.065
  350   HG11  VAL1929          HG11      VAL1929   4.444   2.655   2.602
  351   HG12  VAL1929          HG12      VAL1929   5.006   3.351   1.095
  352   HG13  VAL1929          HG13      VAL1929   3.841   2.018   1.064
  353   HG21  VAL1929          HG21      VAL1929   3.401   4.593  -0.372
  354   HG22  VAL1929          HG22      VAL1929   1.799   4.993   0.241
  355   HG23  VAL1929          HG23      VAL1929   2.171   3.335  -0.242
  356    H    CYS1930           HN       CYS1930   1.327   1.251   3.561
  357    HA   CYS1930           HA       CYS1930   2.169  -0.050   5.209
  358    HB2  CYS1930           HB2      CYS1930   4.402   0.610   4.498
  359    HB3  CYS1930           HB1      CYS1930   4.304   2.073   5.463
  360    H    ALA1931           HN       ALA1931   2.051   3.313   6.048
  361    HA   ALA1931           HA       ALA1931   1.196   2.795   8.757
  362    HB1  ALA1931           HB1      ALA1931   2.668   4.702   8.300
  363    HB2  ALA1931           HB2      ALA1931   1.120   5.235   8.959
  364    HB3  ALA1931           HB3      ALA1931   1.445   5.392   7.234
  365    H    GLU1932           HN       GLU1932  -0.777   4.135   9.442
  366    HA   GLU1932           HA       GLU1932  -2.955   3.245   7.829
  367    HB2  GLU1932           HB2      GLU1932  -4.358   4.045   9.763
  368    HB3  GLU1932           HB1      GLU1932  -3.219   2.776  10.136
  369    HG2  GLU1932           HG2      GLU1932  -2.854   5.706  10.799
  370    HG3  GLU1932           HG1      GLU1932  -3.430   4.470  11.909
  371    H    ALA1933           HN       ALA1933  -4.403   4.450   6.795
  372    HA   ALA1933           HA       ALA1933  -3.489   7.043   6.003
  373    HB1  ALA1933           HB1      ALA1933  -4.422   5.497   4.345
  374    HB2  ALA1933           HB2      ALA1933  -5.350   6.995   4.423
  375    HB3  ALA1933           HB3      ALA1933  -5.973   5.532   5.186
  376    H    LYS1934           HN       LYS1934  -3.943   8.759   7.063
  377    HA   LYS1934           HA       LYS1934  -6.251   8.761   8.869
  378    HB2  LYS1934           HB2      LYS1934  -3.846  10.586   8.801
  379    HB3  LYS1934           HB1      LYS1934  -5.078  10.533  10.064
  380    HG2  LYS1934           HG2      LYS1934  -4.432   8.302  10.675
  381    HG3  LYS1934           HG1      LYS1934  -3.315   8.214   9.319
  382    HD2  LYS1934           HD2      LYS1934  -2.052  10.103  10.358
  383    HD3  LYS1934           HD1      LYS1934  -3.106   9.945  11.770
  384    HE2  LYS1934           HE2      LYS1934  -1.073   8.701  12.150
  385    HE3  LYS1934           HE1      LYS1934  -2.427   7.587  11.979
  386    HZ1  LYS1934           HZ1      LYS1934  -0.674   6.683  10.723
  387    HZ2  LYS1934           HZ2      LYS1934  -0.247   8.154  10.078
  388    HZ3  LYS1934           HZ3      LYS1934  -1.670   7.383   9.539
  389    H    SER1935           HN       SER1935  -5.589   9.579   5.831
  390    HA   SER1935           HA       SER1935  -6.586  12.210   5.679
  391    HB2  SER1935           HB2      SER1935  -6.783  11.484   3.199
  392    HB3  SER1935           HB1      SER1935  -5.177  11.565   3.932
  393    HG   SER1935           HG       SER1935  -5.836   9.590   2.695
  394    H    SER1936           HN       SER1936  -8.059   9.322   4.197
  395    HA   SER1936           HA       SER1936 -10.675  10.412   4.969
  396    HB2  SER1936           HB2      SER1936 -10.027   8.384   2.820
  397    HB3  SER1936           HB1      SER1936 -11.619   9.070   3.152
  398    HG   SER1936           HG       SER1936  -9.473  10.136   1.792
  399    H    CYS1937           HN       CYS1937  -8.567   7.670   5.363
  400    HA   CYS1937           HA       CYS1937 -10.613   6.053   6.643
  401    HB2  CYS1937           HB2      CYS1937  -7.630   5.535   6.698
  402    HB3  CYS1937           HB1      CYS1937  -8.933   4.362   6.752
  403    H    ALA1938           HN       ALA1938  -9.192   5.118   8.964
  404    HA   ALA1938           HA       ALA1938  -8.464   7.636  10.254
  405    HB1  ALA1938           HB1      ALA1938 -10.067   5.442  11.536
  406    HB2  ALA1938           HB2      ALA1938 -10.680   7.043  11.072
  407    HB3  ALA1938           HB3      ALA1938  -9.444   6.873  12.334
  408    H    ASN1939           HN       ASN1939  -8.531   4.477  11.772
  409    HA   ASN1939           HA       ASN1939  -5.686   4.666  11.851
  410    HB2  ASN1939           HB2      ASN1939  -6.803   5.298  13.986
  411    HB3  ASN1939           HB1      ASN1939  -7.355   3.632  14.121
  412   HD21  ASN1939          HD21      ASN1939  -4.647   5.753  14.141
  413   HD22  ASN1939          HD22      ASN1939  -3.535   4.673  14.887
  414    H    GLY1940           HN       GLY1940  -8.483   2.590  11.853
  415    HA2  GLY1940           HA2      GLY1940  -6.951   0.146  11.947
  416    HA3  GLY1940           HA1      GLY1940  -8.695   0.286  11.841
  417    H    ALA1941           HN       ALA1941  -8.151   2.146   9.419
  418    HA   ALA1941           HA       ALA1941  -7.793  -0.070   7.526
  419    HB1  ALA1941           HB1      ALA1941  -9.975   1.035   7.392
  420    HB2  ALA1941           HB2      ALA1941  -9.032   1.284   5.922
  421    HB3  ALA1941           HB3      ALA1941  -9.171   2.580   7.110
  422    H    ALA1942           HN       ALA1942  -6.274   0.065   5.982
  423    HA   ALA1942           HA       ALA1942  -4.595   2.470   6.057
  424    HB1  ALA1942           HB1      ALA1942  -3.905  -0.291   5.057
  425    HB2  ALA1942           HB2      ALA1942  -3.398   0.407   6.597
  426    HB3  ALA1942           HB3      ALA1942  -2.822   1.100   5.083
  427    H    VAL1943           HN       VAL1943  -6.491   0.328   4.069
  428    HA   VAL1943           HA       VAL1943  -6.283   2.280   1.897
  429    HB   VAL1943           HB       VAL1943  -6.839  -0.685   1.566
  430   HG11  VAL1943          HG11      VAL1943  -7.784   0.678  -0.179
  431   HG12  VAL1943          HG12      VAL1943  -6.436  -0.265  -0.816
  432   HG13  VAL1943          HG13      VAL1943  -6.224   1.451  -0.464
  433   HG21  VAL1943          HG21      VAL1943  -4.585  -0.920   0.614
  434   HG22  VAL1943          HG22      VAL1943  -4.541  -0.456   2.313
  435   HG23  VAL1943          HG23      VAL1943  -4.230   0.747   1.065
  436    H    CYS1944           HN       CYS1944  -8.206   3.275   1.815
  437    HA   CYS1944           HA       CYS1944 -10.526   1.577   2.108
  438    HB2  CYS1944           HB2      CYS1944 -11.766   3.307   3.344
  439    HB3  CYS1944           HB1      CYS1944 -10.357   2.759   4.230
  440    H    ILE1945           HN       ILE1945 -11.975   1.731   0.633
  441    HA   ILE1945           HA       ILE1945 -11.499   3.538  -1.582
  442    HB   ILE1945           HB       ILE1945 -13.605   1.373  -1.211
  443   HG12  ILE1945          HG12      ILE1945 -11.379   0.413  -1.321
  444   HG13  ILE1945          HG11      ILE1945 -12.257   0.061  -2.805
  445   HG21  ILE1945          HG21      ILE1945 -14.377   3.057  -2.773
  446   HG22  ILE1945          HG22      ILE1945 -13.998   1.559  -3.623
  447   HG23  ILE1945          HG23      ILE1945 -12.876   2.919  -3.693
  448   HD11  ILE1945          HD11      ILE1945 -11.025   1.826  -3.951
  449   HD12  ILE1945          HD12      ILE1945  -9.934   0.630  -3.250
  450   HD13  ILE1945          HD13      ILE1945 -10.154   2.193  -2.462
  451    H    THR1946           HN       THR1946 -12.357   5.469  -1.501
  452    HA   THR1946           HA       THR1946 -14.584   5.851   0.303
  453    HB   THR1946           HB       THR1946 -13.722   8.326  -0.127
  454    HG1  THR1946           HG1      THR1946 -11.265   6.981  -0.019
  455   HG21  THR1946          HG21      THR1946 -12.450   8.080   1.958
  456   HG22  THR1946          HG22      THR1946 -12.558   6.315   1.799
  457   HG23  THR1946          HG23      THR1946 -14.024   7.291   2.002
  458    H    ASP1947           HN       ASP1947 -16.445   5.882  -0.666
  459    HA   ASP1947           HA       ASP1947 -16.644   7.585  -3.050
  460    HB2  ASP1947           HB2      ASP1947 -17.327   5.144  -3.378
  461    HB3  ASP1947           HB1      ASP1947 -18.605   5.424  -2.201
  462    H    GLY1948           HN       GLY1948 -16.840   9.415  -1.884
  463    HA2  GLY1948           HA2      GLY1948 -18.049  11.074  -0.861
  464    HA3  GLY1948           HA1      GLY1948 -19.421   9.968  -0.765
  465    HA   PRO1949           HA       PRO1949 -18.020   9.901   3.542
  466    HB2  PRO1949           HB2      PRO1949 -20.413   9.510   4.656
  467    HB3  PRO1949           HB1      PRO1949 -19.966  11.092   4.010
  468    HG2  PRO1949           HG2      PRO1949 -21.709   8.983   2.812
  469    HG3  PRO1949           HG1      PRO1949 -21.915  10.745   2.809
  470    HD2  PRO1949           HD2      PRO1949 -20.879   9.260   0.710
  471    HD3  PRO1949           HD1      PRO1949 -20.618  10.998   0.954
  472    H    LYS1950           HN       LYS1950 -19.185   7.599   1.433
  473    HA   LYS1950           HA       LYS1950 -19.442   5.480   3.380
  474    HB2  LYS1950           HB2      LYS1950 -21.011   5.535   1.482
  475    HB3  LYS1950           HB1      LYS1950 -19.665   5.418   0.362
  476    HG2  LYS1950           HG2      LYS1950 -19.164   3.195   1.105
  477    HG3  LYS1950           HG1      LYS1950 -20.357   3.313   2.399
  478    HD2  LYS1950           HD2      LYS1950 -22.142   3.517   0.736
  479    HD3  LYS1950           HD1      LYS1950 -20.948   3.408  -0.559
  480    HE2  LYS1950           HE2      LYS1950 -20.364   1.175   0.094
  481    HE3  LYS1950           HE1      LYS1950 -21.381   1.283   1.526
  482    HZ1  LYS1950           HZ1      LYS1950 -22.409   0.033  -0.295
  483    HZ2  LYS1950           HZ2      LYS1950 -22.410   1.447  -1.255
  484    HZ3  LYS1950           HZ3      LYS1950 -23.309   1.402   0.154
  485    H    THR1951           HN       THR1951 -17.715   4.665   4.147
  486    HA   THR1951           HA       THR1951 -15.252   4.652   2.595
  487    HB   THR1951           HB       THR1951 -15.710   4.134   5.544
  488    HG1  THR1951           HG1      THR1951 -15.978   6.218   5.685
  489   HG21  THR1951          HG21      THR1951 -13.320   4.673   5.738
  490   HG22  THR1951          HG22      THR1951 -13.225   4.920   3.998
  491   HG23  THR1951          HG23      THR1951 -13.558   3.313   4.641
  492    H    LEU1952           HN       LEU1952 -14.899   2.771   1.545
  493    HA   LEU1952           HA       LEU1952 -15.912   0.243   2.634
  494    HB2  LEU1952           HB2      LEU1952 -16.285   0.878   0.232
  495    HB3  LEU1952           HB1      LEU1952 -14.550   0.870   0.001
  496    HG   LEU1952           HG       LEU1952 -14.553  -1.561   0.563
  497   HD11  LEU1952          HD11      LEU1952 -17.544  -1.225   0.426
  498   HD12  LEU1952          HD12      LEU1952 -16.605  -1.628   1.863
  499   HD13  LEU1952          HD13      LEU1952 -16.681  -2.761   0.518
  500   HD21  LEU1952          HD21      LEU1952 -15.476  -2.268  -1.592
  501   HD22  LEU1952          HD22      LEU1952 -14.535  -0.783  -1.750
  502   HD23  LEU1952          HD23      LEU1952 -16.296  -0.715  -1.749
  503    H    ASN1953           HN       ASN1953 -14.385  -1.440   3.240
  504    HA   ASN1953           HA       ASN1953 -11.764  -0.298   3.796
  505    HB2  ASN1953           HB2      ASN1953 -13.053  -1.219   5.711
  506    HB3  ASN1953           HB1      ASN1953 -13.055  -2.794   4.927
  507   HD21  ASN1953          HD21      ASN1953 -11.110  -3.945   4.812
  508   HD22  ASN1953          HD22      ASN1953  -9.801  -3.630   5.878
  509    H    ALA1954           HN       ALA1954 -10.521  -0.593   2.081
  510    HA   ALA1954           HA       ALA1954 -10.655  -3.096   0.594
  511    HB1  ALA1954           HB1      ALA1954  -9.178  -0.539  -0.018
  512    HB2  ALA1954           HB2      ALA1954 -10.750  -1.004  -0.669
  513    HB3  ALA1954           HB3      ALA1954  -9.314  -1.938  -1.081
  514    H    GLY1955           HN       GLY1955  -9.316  -2.398   3.261
  515    HA2  GLY1955           HA2      GLY1955  -7.589  -4.400   3.505
  516    HA3  GLY1955           HA1      GLY1955  -6.589  -3.163   2.744
  517    H    LYS1956           HN       LYS1956  -7.426  -4.450   5.640
  518    HA   LYS1956           HA       LYS1956  -7.643  -1.992   7.084
  519    HB2  LYS1956           HB2      LYS1956  -7.566  -3.291   9.104
  520    HB3  LYS1956           HB1      LYS1956  -8.572  -4.155   7.958
  521    HG2  LYS1956           HG2      LYS1956  -6.779  -5.714   7.510
  522    HG3  LYS1956           HG1      LYS1956  -5.695  -4.797   8.562
  523    HD2  LYS1956           HD2      LYS1956  -7.239  -5.219  10.446
  524    HD3  LYS1956           HD1      LYS1956  -8.217  -6.226   9.377
  525    HE2  LYS1956           HE2      LYS1956  -6.726  -7.577  10.760
  526    HE3  LYS1956           HE1      LYS1956  -6.332  -7.729   9.048
  527    HZ1  LYS1956           HZ1      LYS1956  -4.402  -7.453  10.583
  528    HZ2  LYS1956           HZ2      LYS1956  -4.882  -5.830  10.824
  529    HZ3  LYS1956           HZ3      LYS1956  -4.472  -6.409   9.283
  530    H    LEU1957           HN       LEU1957  -5.998  -1.477   8.813
  531    HA   LEU1957           HA       LEU1957  -3.622  -0.912   7.500
  532    HB2  LEU1957           HB2      LEU1957  -4.168   0.564   9.178
  533    HB3  LEU1957           HB1      LEU1957  -4.343  -0.670  10.415
  534    HG   LEU1957           HG       LEU1957  -1.890  -1.085  10.172
  535   HD11  LEU1957          HD11      LEU1957  -1.552  -0.156   7.974
  536   HD12  LEU1957          HD12      LEU1957  -0.538   0.663   9.156
  537   HD13  LEU1957          HD13      LEU1957  -2.001   1.446   8.559
  538   HD21  LEU1957          HD21      LEU1957  -1.265   0.858  11.458
  539   HD22  LEU1957          HD22      LEU1957  -2.823   0.190  11.986
  540   HD23  LEU1957          HD23      LEU1957  -2.767   1.650  10.983
  541    H    SER1958           HN       SER1958  -2.185  -2.160   6.912
  542    HA   SER1958           HA       SER1958  -1.323  -4.320   8.654
  543    HB2  SER1958           HB2      SER1958  -0.924  -4.013   5.664
  544    HB3  SER1958           HB1      SER1958  -0.662  -5.460   6.644
  545    HG   SER1958           HG       SER1958  -3.209  -4.210   6.387
  546    H    LYS1959           HN       LYS1959   0.296  -3.290   9.830
  547    HA   LYS1959           HA       LYS1959   1.995  -1.333   8.572
  548    HB2  LYS1959           HB2      LYS1959   0.880  -1.193  10.872
  549    HB3  LYS1959           HB1      LYS1959   1.963  -2.474  11.367
  550    HG2  LYS1959           HG2      LYS1959   2.976  -0.549  12.142
  551    HG3  LYS1959           HG1      LYS1959   3.800  -0.984  10.625
  552    HD2  LYS1959           HD2      LYS1959   3.393   1.457  10.811
  553    HD3  LYS1959           HD1      LYS1959   2.666   0.704   9.396
  554    HE2  LYS1959           HE2      LYS1959   1.165   2.343  10.420
  555    HE3  LYS1959           HE1      LYS1959   0.481   0.728  10.482
  556    HZ1  LYS1959           HZ1      LYS1959   0.179   2.045  12.518
  557    HZ2  LYS1959           HZ2      LYS1959   1.846   2.039  12.807
  558    HZ3  LYS1959           HZ3      LYS1959   0.989   0.608  12.836
  559    H    THR1960           HN       THR1960   1.713  -4.579   8.925
  560    HA   THR1960           HA       THR1960   4.394  -5.431   9.299
  561    HB   THR1960           HB       THR1960   1.962  -6.872   8.203
  562    HG1  THR1960           HG1      THR1960   2.962  -6.396  10.792
  563   HG21  THR1960          HG21      THR1960   4.501  -7.938   9.467
  564   HG22  THR1960          HG22      THR1960   4.085  -8.046   7.754
  565   HG23  THR1960          HG23      THR1960   3.121  -8.909   8.955
  566    H    LEU1961           HN       LEU1961   5.840  -5.880   7.715
  567    HA   LEU1961           HA       LEU1961   5.105  -5.293   4.956
  568    HB2  LEU1961           HB2      LEU1961   6.396  -3.474   6.086
  569    HB3  LEU1961           HB1      LEU1961   7.666  -4.624   6.427
  570    HG   LEU1961           HG       LEU1961   8.102  -4.865   4.034
  571   HD11  LEU1961          HD11      LEU1961   5.976  -2.751   3.727
  572   HD12  LEU1961          HD12      LEU1961   5.856  -4.431   3.195
  573   HD13  LEU1961          HD13      LEU1961   7.024  -3.345   2.442
  574   HD21  LEU1961          HD21      LEU1961   9.322  -3.185   5.318
  575   HD22  LEU1961          HD22      LEU1961   8.058  -2.000   4.988
  576   HD23  LEU1961          HD23      LEU1961   9.040  -2.630   3.669
  577    H    THR1962           HN       THR1962   6.342  -6.601   3.424
  578    HA   THR1962           HA       THR1962   7.928  -8.696   4.502
  579    HB   THR1962           HB       THR1962   5.909  -9.771   4.949
  580    HG1  THR1962           HG1      THR1962   6.252 -11.507   3.963
  581   HG21  THR1962          HG21      THR1962   4.777  -8.777   2.336
  582   HG22  THR1962          HG22      THR1962   4.408  -8.216   3.975
  583   HG23  THR1962          HG23      THR1962   3.933  -9.842   3.479
  584    H    TYR1963           HN       TYR1963   8.164 -10.296   2.375
  585    HA   TYR1963           HA       TYR1963   8.688  -8.610   0.065
  586    HB2  TYR1963           HB2      TYR1963  11.020  -9.415  -0.136
  587    HB3  TYR1963           HB1      TYR1963  10.803  -8.488   1.340
  588    HD1  TYR1963           HD2      TYR1963  10.842  -9.613   3.516
  589    HD2  TYR1963           HD1      TYR1963  11.523 -11.786  -0.075
  590    HE1  TYR1963           HE2      TYR1963  11.716 -11.489   4.822
  591    HE2  TYR1963           HE1      TYR1963  12.401 -13.673   1.230
  592    HH   TYR1963           HH       TYR1963  11.980 -13.831   4.602
  593    H    GLU1964           HN       GLU1964   8.979  -9.837  -1.836
  594    HA   GLU1964           HA       GLU1964   8.780 -12.689  -1.716
  595    HB2  GLU1964           HB2      GLU1964   6.444 -12.103  -1.405
  596    HB3  GLU1964           HB1      GLU1964   6.499 -11.037  -2.796
  597    HG2  GLU1964           HG2      GLU1964   6.835 -12.947  -4.259
  598    HG3  GLU1964           HG1      GLU1964   6.819 -14.026  -2.860
  599    H    ASP1965           HN       ASP1965  10.063 -13.336  -3.172
  600    HA   ASP1965           HA       ASP1965  11.343 -13.559  -5.024
  601    HB2  ASP1965           HB2      ASP1965   9.042 -13.722  -6.091
  602    HB3  ASP1965           HB1      ASP1965   9.169 -12.015  -6.487
  603    H    GLN1966           HN       GLN1966  12.168 -11.672  -3.391
  604    HA   GLN1966           HA       GLN1966  13.545  -9.953  -3.129
  605    HB2  GLN1966           HB2      GLN1966  13.975 -10.400  -6.069
  606    HB3  GLN1966           HB1      GLN1966  14.905  -9.217  -5.151
  607    HG2  GLN1966           HG2      GLN1966  15.719 -10.947  -3.676
  608    HG3  GLN1966           HG1      GLN1966  14.720 -12.145  -4.491
  609   HE21  GLN1966          HE21      GLN1966  15.271 -11.248  -7.163
  610   HE22  GLN1966          HE22      GLN1966  16.925 -11.622  -7.479
  611    H    VAL1967           HN       VAL1967  10.695  -9.463  -4.306
  612    HA   VAL1967           HA       VAL1967  11.023  -6.569  -4.686
  613    HB   VAL1967           HB       VAL1967   8.583  -8.330  -5.220
  614   HG11  VAL1967          HG11      VAL1967   7.951  -6.033  -4.703
  615   HG12  VAL1967          HG12      VAL1967   7.652  -6.397  -6.405
  616   HG13  VAL1967          HG13      VAL1967   9.059  -5.439  -5.940
  617   HG21  VAL1967          HG21      VAL1967   9.048  -7.988  -7.602
  618   HG22  VAL1967          HG22      VAL1967  10.365  -8.835  -6.789
  619   HG23  VAL1967          HG23      VAL1967  10.527  -7.124  -7.181
  620    H    LEU1968           HN       LEU1968   9.764  -5.182  -3.290
  621    HA   LEU1968           HA       LEU1968   9.324  -6.342  -0.687
  622    HB2  LEU1968           HB2      LEU1968  10.452  -4.147  -0.991
  623    HB3  LEU1968           HB1      LEU1968   8.982  -3.518  -1.706
  624    HG   LEU1968           HG       LEU1968   7.822  -3.896   0.449
  625   HD11  LEU1968          HD11      LEU1968   9.089  -4.364   2.424
  626   HD12  LEU1968          HD12      LEU1968  10.576  -4.408   1.507
  627   HD13  LEU1968          HD13      LEU1968   9.356  -5.673   1.265
  628   HD21  LEU1968          HD21      LEU1968   8.733  -1.728  -0.136
  629   HD22  LEU1968          HD22      LEU1968  10.288  -2.183   0.565
  630   HD23  LEU1968          HD23      LEU1968   8.866  -2.024   1.598
  631    H    LYS1969           HN       LYS1969   7.329  -6.741   0.138
  632    HA   LYS1969           HA       LYS1969   5.050  -6.084  -1.609
  633    HB2  LYS1969           HB2      LYS1969   5.501  -8.773  -0.284
  634    HB3  LYS1969           HB1      LYS1969   4.127  -8.322  -1.282
  635    HG2  LYS1969           HG2      LYS1969   6.985  -8.469  -2.241
  636    HG3  LYS1969           HG1      LYS1969   5.774  -9.729  -2.463
  637    HD2  LYS1969           HD2      LYS1969   5.359  -6.919  -3.449
  638    HD3  LYS1969           HD1      LYS1969   6.207  -8.129  -4.408
  639    HE2  LYS1969           HE2      LYS1969   3.428  -8.496  -3.306
  640    HE3  LYS1969           HE1      LYS1969   3.765  -7.883  -4.924
  641    HZ1  LYS1969           HZ1      LYS1969   3.352 -10.213  -5.074
  642    HZ2  LYS1969           HZ2      LYS1969   4.400 -10.613  -3.871
  643    HZ3  LYS1969           HZ3      LYS1969   4.997 -10.007  -5.337
  644    H    LEU1970           HN       LEU1970   3.156  -5.583  -0.569
  645    HA   LEU1970           HA       LEU1970   2.902  -6.175   2.242
  646    HB2  LEU1970           HB2      LEU1970   3.972  -3.784   1.716
  647    HB3  LEU1970           HB1      LEU1970   2.300  -3.391   1.355
  648    HG   LEU1970           HG       LEU1970   3.320  -4.389   4.017
  649   HD11  LEU1970          HD11      LEU1970   2.891  -2.127   4.810
  650   HD12  LEU1970          HD12      LEU1970   2.507  -1.632   3.159
  651   HD13  LEU1970          HD13      LEU1970   4.136  -2.181   3.561
  652   HD21  LEU1970          HD21      LEU1970   0.596  -3.342   3.247
  653   HD22  LEU1970          HD22      LEU1970   1.112  -3.768   4.877
  654   HD23  LEU1970          HD23      LEU1970   0.986  -5.015   3.636
  655    H    VAL1971           HN       VAL1971   0.946  -7.004   2.387
  656    HA   VAL1971           HA       VAL1971  -1.011  -6.180   0.399
  657    HB   VAL1971           HB       VAL1971  -2.100  -8.442   0.842
  658   HG11  VAL1971          HG11      VAL1971  -0.773  -7.992  -1.165
  659   HG12  VAL1971          HG12      VAL1971  -0.527  -9.648  -0.607
  660   HG13  VAL1971          HG13      VAL1971   0.699  -8.419  -0.291
  661   HG21  VAL1971          HG21      VAL1971  -0.999  -8.942   2.958
  662   HG22  VAL1971          HG22      VAL1971   0.564  -8.937   2.145
  663   HG23  VAL1971          HG23      VAL1971  -0.620 -10.199   1.765
  664    H    TYR1972           HN       TYR1972  -2.774  -5.271   1.069
  665    HA   TYR1972           HA       TYR1972  -3.161  -5.106   3.955
  666    HB2  TYR1972           HB2      TYR1972  -4.397  -3.322   1.781
  667    HB3  TYR1972           HB1      TYR1972  -4.567  -3.137   3.520
  668    HD1  TYR1972           HD2      TYR1972  -2.720  -2.245   4.879
  669    HD2  TYR1972           HD1      TYR1972  -2.359  -2.758   0.651
  670    HE1  TYR1972           HE2      TYR1972  -0.723  -0.852   4.873
  671    HE2  TYR1972           HE1      TYR1972  -0.347  -1.356   0.658
  672    HH   TYR1972           HH       TYR1972   1.244  -0.641   3.484
  673    H    GLU1973           HN       GLU1973  -4.185  -6.834   4.441
  674    HA   GLU1973           HA       GLU1973  -6.372  -7.813   2.744
  675    HB2  GLU1973           HB2      GLU1973  -5.043  -9.157   5.080
  676    HB3  GLU1973           HB1      GLU1973  -6.085  -9.883   3.867
  677    HG2  GLU1973           HG2      GLU1973  -3.395  -8.669   3.270
  678    HG3  GLU1973           HG1      GLU1973  -3.592 -10.362   3.691
  679    H    ASP1974           HN       ASP1974  -8.073  -8.886   4.033
  680    HA   ASP1974           HA       ASP1974  -9.693  -9.119   5.524
  681    HB2  ASP1974           HB2      ASP1974  -7.901  -9.791   6.999
  682    HB3  ASP1974           HB1      ASP1974  -7.652  -8.132   7.508
  683    H    GLY1975           HN       GLY1975 -11.422  -8.230   6.239
  684    HA2  GLY1975           HA2      GLY1975 -12.006  -5.971   7.571
  685    HA3  GLY1975           HA1      GLY1975 -11.751  -5.360   5.936
  686    H    ASP1976           HN       ASP1976 -13.541  -5.184   4.780
  687    HA   ASP1976           HA       ASP1976 -15.817  -6.764   5.496
  688    HB2  ASP1976           HB2      ASP1976 -16.976  -5.595   3.588
  689    HB3  ASP1976           HB1      ASP1976 -16.332  -4.505   4.797
  690    HA   PRO1977           HA       PRO1977 -14.697 -10.145   3.046
  691    HB2  PRO1977           HB2      PRO1977 -16.999 -11.511   3.043
  692    HB3  PRO1977           HB1      PRO1977 -16.057 -11.285   4.521
  693    HG2  PRO1977           HG2      PRO1977 -18.464  -9.775   3.570
  694    HG3  PRO1977           HG1      PRO1977 -18.119 -10.424   5.183
  695    HD2  PRO1977           HD2      PRO1977 -17.725  -7.821   4.528
  696    HD3  PRO1977           HD1      PRO1977 -16.735  -8.673   5.730
  697    H    CYS1978           HN       CYS1978 -15.522 -11.499   1.217
  698    HA   CYS1978           HA       CYS1978 -17.026 -10.049  -0.812
  699    HB2  CYS1978           HB2      CYS1978 -14.309 -11.348  -1.239
  700    HB3  CYS1978           HB1      CYS1978 -15.276 -10.531  -2.460
  701    HA   PRO1979           HA       PRO1979 -18.882 -14.077  -1.492
  702    HB2  PRO1979           HB2      PRO1979 -17.988 -13.954  -4.342
  703    HB3  PRO1979           HB1      PRO1979 -19.602 -14.249  -3.682
  704    HG2  PRO1979           HG2      PRO1979 -19.003 -11.896  -4.746
  705    HG3  PRO1979           HG1      PRO1979 -19.996 -12.001  -3.280
  706    HD2  PRO1979           HD2      PRO1979 -17.128 -11.226  -3.579
  707    HD3  PRO1979           HD1      PRO1979 -18.359 -10.584  -2.476
  708    H    THR1980           HN       THR1980 -15.603 -13.665  -2.992
  709    HA   THR1980           HA       THR1980 -15.044 -16.383  -2.976
  710    HB   THR1980           HB       THR1980 -12.842 -15.152  -3.493
  711    HG1  THR1980           HG1      THR1980 -13.017 -13.078  -3.189
  712   HG21  THR1980          HG21      THR1980 -15.268 -14.881  -5.286
  713   HG22  THR1980          HG22      THR1980 -14.240 -16.313  -5.181
  714   HG23  THR1980          HG23      THR1980 -13.593 -14.804  -5.829
  715    H    ASP1981           HN       ASP1981 -14.155 -13.454  -1.291
  716    HA   ASP1981           HA       ASP1981 -12.238 -14.784   0.363
  717    HB2  ASP1981           HB2      ASP1981 -12.929 -11.866   0.084
  718    HB3  ASP1981           HB1      ASP1981 -11.637 -12.487   1.116
  719    H    LEU1982           HN       LEU1982 -14.410 -15.802   0.998
  720    HA   LEU1982           HA       LEU1982 -15.356 -14.750   3.574
  721    HB2  LEU1982           HB2      LEU1982 -16.029 -17.288   2.097
  722    HB3  LEU1982           HB1      LEU1982 -16.829 -16.690   3.534
  723    HG   LEU1982           HG       LEU1982 -16.816 -15.230   0.912
  724   HD11  LEU1982          HD11      LEU1982 -17.800 -17.415   0.690
  725   HD12  LEU1982          HD12      LEU1982 -19.033 -16.151   0.591
  726   HD13  LEU1982          HD13      LEU1982 -18.849 -17.114   2.076
  727   HD21  LEU1982          HD21      LEU1982 -17.248 -13.871   2.876
  728   HD22  LEU1982          HD22      LEU1982 -18.490 -15.008   3.403
  729   HD23  LEU1982          HD23      LEU1982 -18.725 -14.065   1.926
  730    H    LYS1983           HN       LYS1983 -14.057 -17.690   2.187
  731    HA   LYS1983           HA       LYS1983 -13.047 -18.663   4.754
  732    HB2  LYS1983           HB2      LYS1983 -12.879 -20.822   3.597
  733    HB3  LYS1983           HB1      LYS1983 -14.486 -20.119   3.416
  734    HG2  LYS1983           HG2      LYS1983 -13.925 -19.337   1.218
  735    HG3  LYS1983           HG1      LYS1983 -12.302 -20.013   1.384
  736    HD2  LYS1983           HD2      LYS1983 -13.650 -21.542   0.075
  737    HD3  LYS1983           HD1      LYS1983 -13.318 -22.265   1.645
  738    HE2  LYS1983           HE2      LYS1983 -15.540 -21.581   2.423
  739    HE3  LYS1983           HE1      LYS1983 -15.867 -20.855   0.851
  740    HZ1  LYS1983           HZ1      LYS1983 -15.572 -23.072  -0.138
  741    HZ2  LYS1983           HZ2      LYS1983 -16.865 -23.024   0.947
  742    HZ3  LYS1983           HZ3      LYS1983 -15.396 -23.735   1.403
  743    H    MET1984           HN       MET1984 -11.799 -16.497   3.080
  744    HA   MET1984           HA       MET1984  -9.138 -17.253   3.166
  745    HB2  MET1984           HB2      MET1984  -8.767 -16.582   0.747
  746    HB3  MET1984           HB1      MET1984  -9.594 -18.123   0.910
  747    HG2  MET1984           HG2      MET1984 -11.749 -16.937   0.506
  748    HG3  MET1984           HG1      MET1984 -10.830 -15.467   0.242
  749    HE1  MET1984           HE1      MET1984  -8.344 -16.244  -1.425
  750    HE2  MET1984           HE2      MET1984  -9.433 -14.929  -1.874
  751    HE3  MET1984           HE3      MET1984  -8.961 -16.123  -3.074
  752    H    LYS1985           HN       LYS1985  -8.058 -15.283   3.156
  753    HA   LYS1985           HA       LYS1985  -9.819 -12.951   3.351
  754    HB2  LYS1985           HB2      LYS1985  -7.743 -13.683   5.427
  755    HB3  LYS1985           HB1      LYS1985  -8.677 -12.190   5.402
  756    HG2  LYS1985           HG2      LYS1985 -10.735 -13.453   5.666
  757    HG3  LYS1985           HG1      LYS1985  -9.826 -14.960   5.643
  758    HD2  LYS1985           HD2      LYS1985  -8.633 -14.201   7.675
  759    HD3  LYS1985           HD1      LYS1985  -9.675 -12.771   7.703
  760    HE2  LYS1985           HE2      LYS1985 -11.644 -14.199   7.868
  761    HE3  LYS1985           HE1      LYS1985 -10.614 -15.632   7.827
  762    HZ1  LYS1985           HZ1      LYS1985 -10.736 -13.559   9.927
  763    HZ2  LYS1985           HZ2      LYS1985  -9.550 -14.770   9.872
  764    HZ3  LYS1985           HZ3      LYS1985 -11.164 -15.198  10.065
  765    H    HIS1986           HN       HIS1986  -9.160 -12.075   1.527
  766    HA   HIS1986           HA       HIS1986  -6.494 -10.972   1.507
  767    HB2  HIS1986           HB2      HIS1986  -6.251 -12.928   0.155
  768    HB3  HIS1986           HB1      HIS1986  -7.805 -12.676  -0.615
  769    HD1  HIS1986           HD1      HIS1986  -4.618 -10.596  -0.349
  770    HD2  HIS1986           HD2      HIS1986  -7.444 -11.867  -3.099
  771    HE1  HIS1986           HE1      HIS1986  -3.884  -9.641  -2.562
  772    HE2  HIS1986           HE2      HIS1986  -5.891 -10.136  -4.064
  773    H    LYS1987           HN       LYS1987  -6.428  -8.952   0.434
  774    HA   LYS1987           HA       LYS1987  -8.911  -8.043  -0.763
  775    HB2  LYS1987           HB2      LYS1987  -8.731  -7.546   1.805
  776    HB3  LYS1987           HB1      LYS1987  -7.599  -6.307   1.298
  777    HG2  LYS1987           HG2      LYS1987  -9.670  -5.245   1.535
  778    HG3  LYS1987           HG1      LYS1987  -9.426  -5.430  -0.200
  779    HD2  LYS1987           HD2      LYS1987 -10.886  -7.373  -0.224
  780    HD3  LYS1987           HD1      LYS1987 -11.082  -7.270   1.530
  781    HE2  LYS1987           HE2      LYS1987 -12.050  -5.002   1.220
  782    HE3  LYS1987           HE1      LYS1987 -11.961  -5.245  -0.521
  783    HZ1  LYS1987           HZ1      LYS1987 -14.145  -5.723   0.274
  784    HZ2  LYS1987           HZ2      LYS1987 -13.605  -6.791   1.416
  785    HZ3  LYS1987           HZ3      LYS1987 -13.484  -7.190  -0.227
  786    H    SER1988           HN       SER1988  -6.050  -6.198   0.372
  787    HA   SER1988           HA       SER1988  -5.810  -5.216  -2.358
  788    HB2  SER1988           HB2      SER1988  -6.215  -3.579  -0.554
  789    HB3  SER1988           HB1      SER1988  -4.722  -4.129   0.223
  790    HG   SER1988           HG       SER1988  -5.038  -2.276  -1.590
  791    H    TYR1989           HN       TYR1989  -3.809  -5.137  -3.376
  792    HA   TYR1989           HA       TYR1989  -1.744  -6.852  -2.213
  793    HB2  TYR1989           HB2      TYR1989  -3.279  -7.981  -3.927
  794    HB3  TYR1989           HB1      TYR1989  -2.608  -6.867  -5.102
  795    HD1  TYR1989           HD2      TYR1989  -1.870  -9.665  -2.880
  796    HD2  TYR1989           HD1      TYR1989  -0.448  -7.225  -6.036
  797    HE1  TYR1989           HE2      TYR1989  -0.027 -11.262  -3.269
  798    HE2  TYR1989           HE1      TYR1989   1.395  -8.795  -6.441
  799    HH   TYR1989           HH       TYR1989   1.530 -11.901  -4.944
  800    H    PHE1990           HN       PHE1990  -0.226  -5.237  -1.826
  801    HA   PHE1990           HA       PHE1990   0.211  -3.310  -3.986
  802    HB2  PHE1990           HB2      PHE1990  -0.493  -2.684  -1.501
  803    HB3  PHE1990           HB1      PHE1990   1.200  -2.948  -1.189
  804    HD1  PHE1990           HD2      PHE1990   2.287  -1.825  -3.825
  805    HD2  PHE1990           HD1      PHE1990  -0.655  -0.378  -1.119
  806    HE1  PHE1990           HE2      PHE1990   2.721   0.466  -4.585
  807    HE2  PHE1990           HE1      PHE1990  -0.224   1.922  -1.883
  808    HZ   PHE1990           HZ       PHE1990   1.468   2.345  -3.615
  809    H    SER1991           HN       SER1991   2.049  -3.500  -5.032
  810    HA   SER1991           HA       SER1991   4.255  -5.012  -3.834
  811    HB2  SER1991           HB2      SER1991   3.672  -4.410  -6.746
  812    HB3  SER1991           HB1      SER1991   4.965  -5.446  -6.132
  813    HG   SER1991           HG       SER1991   2.265  -5.983  -6.439
  814    H    PHE1992           HN       PHE1992   6.114  -3.909  -3.389
  815    HA   PHE1992           HA       PHE1992   6.379  -1.194  -4.463
  816    HB2  PHE1992           HB2      PHE1992   7.444  -2.281  -1.817
  817    HB3  PHE1992           HB1      PHE1992   7.688  -0.643  -2.397
  818    HD1  PHE1992           HD1      PHE1992   5.309  -2.977  -0.927
  819    HD2  PHE1992           HD2      PHE1992   5.957   0.979  -2.351
  820    HE1  PHE1992           HE1      PHE1992   3.281  -2.226   0.242
  821    HE2  PHE1992           HE2      PHE1992   3.932   1.733  -1.187
  822    HZ   PHE1992           HZ       PHE1992   2.591   0.130   0.113
  823    H    VAL1993           HN       VAL1993   7.873  -1.140  -5.930
  824    HA   VAL1993           HA       VAL1993  10.205  -2.864  -5.606
  825    HB   VAL1993           HB       VAL1993   8.946  -3.938  -7.342
  826   HG11  VAL1993          HG11      VAL1993   7.407  -2.173  -7.874
  827   HG12  VAL1993          HG12      VAL1993   8.149  -2.798  -9.349
  828   HG13  VAL1993          HG13      VAL1993   8.685  -1.259  -8.670
  829   HG21  VAL1993          HG21      VAL1993  10.377  -3.738  -9.324
  830   HG22  VAL1993          HG22      VAL1993  11.336  -3.772  -7.838
  831   HG23  VAL1993          HG23      VAL1993  11.046  -2.242  -8.673
  832    H    CYS1994           HN       CYS1994  12.168  -1.941  -5.909
  833    HA   CYS1994           HA       CYS1994  12.284   0.796  -5.635
  834    HB2  CYS1994           HB2      CYS1994  14.818   0.100  -6.053
  835    HB3  CYS1994           HB1      CYS1994  13.944  -0.175  -4.545
  836    H    LYS1995           HN       LYS1995  12.104   2.291  -7.014
  837    HA   LYS1995           HA       LYS1995  12.812   1.912  -9.859
  838    HB2  LYS1995           HB2      LYS1995  10.511   2.722  -9.015
  839    HB3  LYS1995           HB1      LYS1995  11.335   4.195  -8.568
  840    HG2  LYS1995           HG2      LYS1995  10.242   4.582 -10.628
  841    HG3  LYS1995           HG1      LYS1995  11.965   4.460 -10.981
  842    HD2  LYS1995           HD2      LYS1995  11.726   2.307 -11.911
  843    HD3  LYS1995           HD1      LYS1995  10.123   2.095 -11.213
  844    HE2  LYS1995           HE2      LYS1995   9.914   2.510 -13.593
  845    HE3  LYS1995           HE1      LYS1995   9.268   3.882 -12.701
  846    HZ1  LYS1995           HZ1      LYS1995  11.415   5.031 -13.128
  847    HZ2  LYS1995           HZ2      LYS1995  10.550   4.676 -14.510
  848    HZ3  LYS1995           HZ3      LYS1995  11.876   3.722 -14.114
  849    H    SER1996           HN       SER1996  14.169   3.630 -10.802
  850    HA   SER1996           HA       SER1996  16.023   4.664  -8.877
  851    HB2  SER1996           HB2      SER1996  16.666   3.580 -11.096
  852    HB3  SER1996           HB1      SER1996  16.053   5.029 -11.887
  853    HG   SER1996           HG       SER1996  18.083   4.923  -9.917
  854    H    ASP1997           HN       ASP1997  13.386   5.862 -10.895
  855    HA   ASP1997           HA       ASP1997  14.045   8.588 -10.057
  856    HB2  ASP1997           HB2      ASP1997  12.590   9.435 -11.789
  857    HB3  ASP1997           HB1      ASP1997  13.581   8.179 -12.510
  858    H    ALA1998           HN       ALA1998  11.023   6.584 -10.275
  859    HA   ALA1998           HA       ALA1998   9.374   6.211  -8.911
  860    HB1  ALA1998           HB1      ALA1998   9.681   6.421  -6.522
  861    HB2  ALA1998           HB2      ALA1998  11.102   7.445  -6.789
  862    HB3  ALA1998           HB3      ALA1998  11.123   5.755  -7.298
  863    H    GLY1999           HN       GLY1999   9.534   8.630 -10.433
  864    HA2  GLY1999           HA2      GLY1999   8.230  10.475 -10.794
  865    HA3  GLY1999           HA1      GLY1999   7.141   9.807  -9.586
  866    H    ASP2000           HN       ASP2000  10.438  10.690  -9.050
  867    HA   ASP2000           HA       ASP2000  11.525  12.280  -7.897
  868    HB2  ASP2000           HB2      ASP2000  10.301  14.025  -9.028
  869    HB3  ASP2000           HB1      ASP2000   8.898  13.774  -8.003
  870    H    ASP2001           HN       ASP2001   8.329  12.083  -6.556
  871    HA   ASP2001           HA       ASP2001   9.558  11.701  -3.899
  872    HB2  ASP2001           HB2      ASP2001   8.271  13.798  -4.009
  873    HB3  ASP2001           HB1      ASP2001   6.857  12.905  -4.553
  874    H    SER2002           HN       SER2002   6.163  11.167  -4.669
  875    HA   SER2002           HA       SER2002   6.420   8.387  -4.944
  876    HB2  SER2002           HB2      SER2002   5.155   7.839  -2.833
  877    HB3  SER2002           HB1      SER2002   6.802   8.398  -2.566
  878    HG   SER2002           HG       SER2002   5.790  10.545  -2.256
  879    H    GLN2003           HN       GLN2003   4.911   7.885  -6.247
  880    HA   GLN2003           HA       GLN2003   2.303   8.946  -5.907
  881    HB2  GLN2003           HB2      GLN2003   2.103   9.396  -8.394
  882    HB3  GLN2003           HB1      GLN2003   3.153  10.493  -7.516
  883    HG2  GLN2003           HG2      GLN2003   5.152   9.286  -8.389
  884    HG3  GLN2003           HG1      GLN2003   4.109   8.161  -9.218
  885   HE21  GLN2003          HE21      GLN2003   2.878   8.880 -10.947
  886   HE22  GLN2003          HE22      GLN2003   3.301  10.296 -11.835
  887    HA   PRO2004           HA       PRO2004   1.980   4.434  -6.219
  888    HB2  PRO2004           HB2      PRO2004  -0.905   5.045  -5.994
  889    HB3  PRO2004           HB1      PRO2004   0.102   3.971  -5.017
  890    HG2  PRO2004           HG2      PRO2004  -0.730   6.333  -4.064
  891    HG3  PRO2004           HG1      PRO2004   0.930   5.636  -3.765
  892    HD2  PRO2004           HD2      PRO2004   0.060   7.811  -5.633
  893    HD3  PRO2004           HD1      PRO2004   1.477   7.745  -4.566
  894    H    VAL2005           HN       VAL2005   1.661   3.062  -7.908
  895    HA   VAL2005           HA       VAL2005   0.120   4.051 -10.174
  896    HB   VAL2005           HB       VAL2005   2.139   1.774 -10.052
  897   HG11  VAL2005          HG11      VAL2005   0.757   3.002 -12.436
  898   HG12  VAL2005          HG12      VAL2005   0.463   1.395 -11.772
  899   HG13  VAL2005          HG13      VAL2005   2.022   1.776 -12.504
  900   HG21  VAL2005          HG21      VAL2005   3.235   3.927  -9.776
  901   HG22  VAL2005          HG22      VAL2005   2.436   4.538 -11.226
  902   HG23  VAL2005          HG23      VAL2005   3.619   3.236 -11.352
  903    H    PHE2006           HN       PHE2006  -1.815   3.231 -10.376
  904    HA   PHE2006           HA       PHE2006  -2.407   0.765  -8.944
  905    HB2  PHE2006           HB2      PHE2006  -4.827   1.394  -9.244
  906    HB3  PHE2006           HB1      PHE2006  -3.907   2.511  -8.250
  907    HD1  PHE2006           HD1      PHE2006  -5.594   2.027 -11.478
  908    HD2  PHE2006           HD2      PHE2006  -3.561   4.775  -8.952
  909    HE1  PHE2006           HE1      PHE2006  -6.381   3.892 -12.878
  910    HE2  PHE2006           HE2      PHE2006  -4.339   6.644 -10.346
  911    HZ   PHE2006           HZ       PHE2006  -5.749   6.205 -12.311
  912    H    LEU2007           HN       LEU2007  -3.083  -1.010  -9.922
  913    HA   LEU2007           HA       LEU2007  -2.820  -1.032 -12.809
  914    HB2  LEU2007           HB2      LEU2007  -3.075  -3.263 -10.788
  915    HB3  LEU2007           HB1      LEU2007  -3.108  -3.549 -12.510
  916    HG   LEU2007           HG       LEU2007  -0.772  -2.628 -12.636
  917   HD11  LEU2007          HD11      LEU2007   0.558  -2.496 -10.600
  918   HD12  LEU2007          HD12      LEU2007  -0.893  -2.758  -9.635
  919   HD13  LEU2007          HD13      LEU2007  -0.736  -1.297 -10.608
  920   HD21  LEU2007          HD21      LEU2007  -1.202  -5.015 -10.853
  921   HD22  LEU2007          HD22      LEU2007   0.283  -4.639 -11.724
  922   HD23  LEU2007          HD23      LEU2007  -1.194  -5.012 -12.616
  923    H    SER2008           HN       SER2008  -5.118  -2.333 -10.405
  924    HA   SER2008           HA       SER2008  -7.360  -1.193 -11.640
  925    HB2  SER2008           HB2      SER2008  -8.421  -3.272 -12.458
  926    HB3  SER2008           HB1      SER2008  -6.944  -2.921 -13.353
  927    HG   SER2008           HG       SER2008  -7.594  -5.045 -11.771
  928    H    PHE2009           HN       PHE2009  -9.303  -1.824 -10.481
  929    HA   PHE2009           HA       PHE2009  -8.781  -3.281  -7.986
  930    HB2  PHE2009           HB2      PHE2009  -9.602  -0.896  -7.698
  931    HB3  PHE2009           HB1      PHE2009 -11.051  -1.334  -8.593
  932    HD1  PHE2009           HD2      PHE2009 -12.518  -3.234  -7.584
  933    HD2  PHE2009           HD1      PHE2009  -9.523  -1.159  -5.392
  934    HE1  PHE2009           HE2      PHE2009 -13.563  -3.962  -5.485
  935    HE2  PHE2009           HE1      PHE2009 -10.576  -1.883  -3.285
  936    HZ   PHE2009           HZ       PHE2009 -12.598  -3.280  -3.332
  937    H    ASP2010           HN       ASP2010  -9.550  -5.272  -8.117
  938    HA   ASP2010           HA       ASP2010 -11.827  -5.743  -9.900
  939    HB2  ASP2010           HB2      ASP2010  -9.362  -7.360  -9.449
  940    HB3  ASP2010           HB1      ASP2010 -10.845  -8.135  -9.977
  941    H    GLU2011           HN       GLU2011 -13.454  -6.950  -9.177
  942    HA   GLU2011           HA       GLU2011 -13.402  -7.466  -6.326
  943    HB2  GLU2011           HB2      GLU2011 -15.863  -7.703  -6.461
  944    HB3  GLU2011           HB1      GLU2011 -15.301  -6.150  -7.043
  945    HG2  GLU2011           HG2      GLU2011 -16.100  -8.466  -8.793
  946    HG3  GLU2011           HG1      GLU2011 -17.150  -7.117  -8.368
  947    H    GLN2012           HN       GLN2012 -12.514  -9.131  -8.869
  948    HA   GLN2012           HA       GLN2012 -13.687 -11.625  -8.875
  949    HB2  GLN2012           HB2      GLN2012 -11.816 -10.856 -10.343
  950    HB3  GLN2012           HB1      GLN2012 -10.723 -11.088  -8.987
  951    HG2  GLN2012           HG2      GLN2012 -11.362 -13.483  -8.957
  952    HG3  GLN2012           HG1      GLN2012 -12.314 -13.200 -10.414
  953   HE21  GLN2012          HE21      GLN2012 -11.238 -12.621 -12.307
  954   HE22  GLN2012          HE22      GLN2012  -9.571 -12.985 -12.557
  955    H    THR2013           HN       THR2013 -10.996 -10.538  -6.888
  956    HA   THR2013           HA       THR2013 -11.992 -12.051  -4.651
  957    HB   THR2013           HB       THR2013 -10.392 -13.602  -5.604
  958    HG1  THR2013           HG1      THR2013 -10.101 -12.800  -3.179
  959   HG21  THR2013          HG21      THR2013  -9.171 -12.122  -7.079
  960   HG22  THR2013          HG22      THR2013  -8.041 -13.028  -6.072
  961   HG23  THR2013          HG23      THR2013  -8.403 -11.341  -5.697
  962    H    CYS2014           HN       CYS2014 -12.166  -9.422  -5.477
  963    HA   CYS2014           HA       CYS2014 -11.994  -7.273  -4.846
  964    HB2  CYS2014           HB2      CYS2014 -11.566  -8.659  -2.224
  965    HB3  CYS2014           HB1      CYS2014 -11.826  -6.925  -2.379
  966    H    THR2015           HN       THR2015  -9.556  -8.283  -5.880
  967    HA   THR2015           HA       THR2015  -7.520  -7.317  -4.105
  968    HB   THR2015           HB       THR2015  -7.219  -8.443  -6.881
  969    HG1  THR2015           HG1      THR2015  -8.071  -9.580  -4.704
  970   HG21  THR2015          HG21      THR2015  -5.296  -7.127  -6.061
  971   HG22  THR2015          HG22      THR2015  -4.918  -8.846  -6.152
  972   HG23  THR2015          HG23      THR2015  -5.267  -8.102  -4.591
  973    H    SER2016           HN       SER2016  -7.017  -5.426  -3.970
  974    HA   SER2016           HA       SER2016  -7.345  -3.534  -6.121
  975    HB2  SER2016           HB2      SER2016  -6.084  -3.196  -3.392
  976    HB3  SER2016           HB1      SER2016  -6.756  -1.939  -4.431
  977    HG   SER2016           HG       SER2016  -8.523  -3.942  -3.805
  978    H    TYR2017           HN       TYR2017  -5.766  -3.983  -7.662
  979    HA   TYR2017           HA       TYR2017  -3.161  -4.968  -6.855
  980    HB2  TYR2017           HB2      TYR2017  -4.227  -4.275  -9.607
  981    HB3  TYR2017           HB1      TYR2017  -2.686  -5.047  -9.283
  982    HD1  TYR2017           HD1      TYR2017  -6.326  -5.487  -9.326
  983    HD2  TYR2017           HD2      TYR2017  -2.575  -7.407  -8.748
  984    HE1  TYR2017           HE1      TYR2017  -7.424  -7.677  -9.484
  985    HE2  TYR2017           HE2      TYR2017  -3.675  -9.606  -8.899
  986    HH   TYR2017           HH       TYR2017  -6.988  -9.885  -9.899
  987    H    PHE2018           HN       PHE2018  -1.737  -3.529  -6.104
  988    HA   PHE2018           HA       PHE2018  -1.461  -1.015  -7.597
  989    HB2  PHE2018           HB2      PHE2018  -1.037  -1.364  -4.624
  990    HB3  PHE2018           HB1      PHE2018  -0.825   0.121  -5.538
  991    HD1  PHE2018           HD2      PHE2018  -3.112   0.517  -7.087
  992    HD2  PHE2018           HD1      PHE2018  -2.826  -1.318  -3.266
  993    HE1  PHE2018           HE2      PHE2018  -5.462   1.071  -6.652
  994    HE2  PHE2018           HE1      PHE2018  -5.169  -0.756  -2.820
  995    HZ   PHE2018           HZ       PHE2018  -6.486   0.443  -4.510
  996    H    SER2019           HN       SER2019   0.617  -0.268  -7.847
  997    HA   SER2019           HA       SER2019   2.780  -1.865  -6.789
  998    HB2  SER2019           HB2      SER2019   2.269  -2.830  -9.021
  999    HB3  SER2019           HB1      SER2019   2.413  -1.227  -9.739
 1000    HG   SER2019           HG       SER2019   4.288  -2.900  -9.611
 1001    H    TRP2020           HN       TRP2020   4.238  -0.461  -6.025
 1002    HA   TRP2020           HA       TRP2020   4.302   2.052  -7.415
 1003    HB2  TRP2020           HB2      TRP2020   3.230   2.466  -5.233
 1004    HB3  TRP2020           HB1      TRP2020   4.678   1.873  -4.421
 1005    HD1  TRP2020           HD1      TRP2020   5.092   4.281  -3.276
 1006    HE1  TRP2020           HE1      TRP2020   6.107   6.473  -4.210
 1007    HE3  TRP2020           HE3      TRP2020   4.760   3.380  -8.332
 1008    HZ2  TRP2020           HZ2      TRP2020   6.746   7.593  -6.671
 1009    HZ3  TRP2020           HZ3      TRP2020   5.609   5.069  -9.881
 1010    HH2  TRP2020           HH2      TRP2020   6.582   7.134  -9.065
 1011    H    HIS2021           HN       HIS2021   5.965   2.162  -8.446
 1012    HA   HIS2021           HA       HIS2021   8.453   0.865  -7.896
 1013    HB2  HIS2021           HB2      HIS2021   7.871   3.117  -9.843
 1014    HB3  HIS2021           HB1      HIS2021   9.215   1.998  -9.897
 1015    HD1  HIS2021           HD1      HIS2021   6.341   2.716 -11.689
 1016    HD2  HIS2021           HD2      HIS2021   7.947  -0.834 -10.258
 1017    HE1  HIS2021           HE1      HIS2021   5.265   0.888 -13.036
 1018    HE2  HIS2021           HE2      HIS2021   6.277  -1.247 -12.185
 1019    H    THR2022           HN       THR2022   9.316   1.702  -6.026
 1020    HA   THR2022           HA       THR2022   9.672   4.610  -5.801
 1021    HB   THR2022           HB       THR2022   7.822   4.111  -4.359
 1022    HG1  THR2022           HG1      THR2022   9.484   5.464  -3.420
 1023   HG21  THR2022          HG21      THR2022   9.518   1.901  -3.169
 1024   HG22  THR2022          HG22      THR2022   8.179   1.665  -4.280
 1025   HG23  THR2022          HG23      THR2022   7.869   2.301  -2.678
 1026    H    SER2023           HN       SER2023  11.552   5.206  -4.573
 1027    HA   SER2023           HA       SER2023  13.661   3.321  -4.883
 1028    HB2  SER2023           HB2      SER2023  13.701   6.056  -3.611
 1029    HB3  SER2023           HB1      SER2023  15.078   5.132  -4.233
 1030    HG   SER2023           HG       SER2023  13.934   5.177  -6.308
 1031    H    LEU2024           HN       LEU2024  11.529   4.136  -2.275
 1032    HA   LEU2024           HA       LEU2024  13.395   3.273  -0.221
 1033    HB2  LEU2024           HB2      LEU2024  10.509   4.185  -0.003
 1034    HB3  LEU2024           HB1      LEU2024  11.446   3.647   1.369
 1035    HG   LEU2024           HG       LEU2024  11.424   6.051   1.445
 1036   HD11  LEU2024          HD11      LEU2024  13.741   6.647   1.259
 1037   HD12  LEU2024          HD12      LEU2024  14.062   5.163   0.363
 1038   HD13  LEU2024          HD13      LEU2024  13.519   5.081   2.040
 1039   HD21  LEU2024          HD21      LEU2024  10.768   6.476  -0.867
 1040   HD22  LEU2024          HD22      LEU2024  12.377   6.010  -1.414
 1041   HD23  LEU2024          HD23      LEU2024  12.169   7.447  -0.406
 1042    H    ALA2025           HN       ALA2025  11.920   1.602  -2.367
 1043    HA   ALA2025           HA       ALA2025  10.534  -0.426  -0.847
 1044    HB1  ALA2025           HB1      ALA2025   9.862   0.173  -3.103
 1045    HB2  ALA2025           HB2      ALA2025  10.256  -1.540  -2.955
 1046    HB3  ALA2025           HB3      ALA2025  11.401  -0.426  -3.709
 1047    H    CYS2026           HN       CYS2026  13.776  -0.220  -2.343
 1048    HA   CYS2026           HA       CYS2026  14.398  -2.506  -0.742
 1049    HB2  CYS2026           HB2      CYS2026  15.155  -3.948  -2.451
 1050    HB3  CYS2026           HB1      CYS2026  13.675  -3.288  -3.121
 1051    H    GLU2027           HN       GLU2027  17.036  -2.908  -1.353
 1052    HA   GLU2027           HA       GLU2027  18.144  -0.319  -0.654
 1053    HB2  GLU2027           HB2      GLU2027  18.838  -2.357   0.573
 1054    HB3  GLU2027           HB1      GLU2027  19.433  -3.048  -0.924
 1055    HG2  GLU2027           HG2      GLU2027  21.277  -2.229   0.366
 1056    HG3  GLU2027           HG1      GLU2027  21.090  -1.235  -1.074
 1057    H    GLU2028           HN       GLU2028  17.946  -2.542  -3.239
 1058    HA   GLU2028           HA       GLU2028  19.904  -1.303  -4.949
 1059    HB2  GLU2028           HB2      GLU2028  17.684  -3.147  -5.851
 1060    HB3  GLU2028           HB1      GLU2028  19.278  -2.954  -6.546
 1061    HG2  GLU2028           HG2      GLU2028  19.464  -5.018  -5.556
 1062    HG3  GLU2028           HG1      GLU2028  20.083  -3.984  -4.278
 1063    H    GLU2029           HN       GLU2029  18.433  -1.211  -7.412
 1064    HA   GLU2029           HA       GLU2029  15.974   0.081  -7.251
 1065    HB2  GLU2029           HB2      GLU2029  16.629   2.302  -8.081
 1066    HB3  GLU2029           HB1      GLU2029  17.411   2.018  -6.538
 1067    HG2  GLU2029           HG2      GLU2029  19.453   1.335  -7.827
 1068    HG3  GLU2029           HG1      GLU2029  18.629   1.911  -9.273
 1069    H    VAL2030           HN       VAL2030  15.074   0.108  -9.276
 1070    HA   VAL2030           HA       VAL2030  16.618  -1.290 -11.290
 1071    HB   VAL2030           HB       VAL2030  13.664  -0.562 -11.249
 1072   HG11  VAL2030          HG11      VAL2030  15.183  -2.403 -13.102
 1073   HG12  VAL2030          HG12      VAL2030  14.521  -0.825 -13.521
 1074   HG13  VAL2030          HG13      VAL2030  13.437  -2.151 -13.096
 1075   HG21  VAL2030          HG21      VAL2030  13.278  -2.933 -10.765
 1076   HG22  VAL2030          HG22      VAL2030  14.226  -2.157  -9.496
 1077   HG23  VAL2030          HG23      VAL2030  15.020  -3.194 -10.682
 1078    HA   PRO2031           HA       PRO2031  17.298   2.730 -13.121
 1079    HB2  PRO2031           HB2      PRO2031  18.976   1.842 -15.089
 1080    HB3  PRO2031           HB1      PRO2031  19.486   2.108 -13.419
 1081    HG2  PRO2031           HG2      PRO2031  18.952  -0.434 -14.851
 1082    HG3  PRO2031           HG1      PRO2031  20.037  -0.097 -13.490
 1083    HD2  PRO2031           HD2      PRO2031  17.532  -1.325 -13.349
 1084    HD3  PRO2031           HD1      PRO2031  18.480  -0.691 -11.998
 1085    H    ARG2032           HN       ARG2032  14.974   1.134 -13.838
 1086    HA   ARG2032           HA       ARG2032  14.620   2.019 -16.584
 1087    HB2  ARG2032           HB2      ARG2032  13.437  -0.480 -15.324
 1088    HB3  ARG2032           HB1      ARG2032  13.035   0.140 -16.917
 1089    HG2  ARG2032           HG2      ARG2032  15.703  -0.938 -16.040
 1090    HG3  ARG2032           HG1      ARG2032  14.543  -1.730 -17.110
 1091    HD2  ARG2032           HD2      ARG2032  14.812   0.043 -18.749
 1092    HD3  ARG2032           HD1      ARG2032  15.907   0.902 -17.666
 1093    HE   ARG2032           HE       ARG2032  16.435  -1.638 -19.004
 1094   HH11  ARG2032          HH11      ARG2032  17.619   1.257 -17.289
 1095   HH12  ARG2032          HH12      ARG2032  19.251   1.001 -17.670
 1096   HH21  ARG2032          HH21      ARG2032  18.683  -1.984 -19.530
 1097   HH22  ARG2032          HH22      ARG2032  19.893  -0.922 -18.950
  Start of MODEL   12
    1    H1   MET1885           HT1      MET1885  16.999   6.888   4.605
    2    H2   MET1885           HT2      MET1885  17.419   7.251   3.037
    3    H3   MET1885           HT3      MET1885  16.311   5.994   3.366
    4    HA   MET1885           HA       MET1885  15.912   8.881   3.918
    5    HB2  MET1885           HB2      MET1885  15.783   8.300   1.488
    6    HB3  MET1885           HB1      MET1885  14.563   7.092   1.863
    7    HG2  MET1885           HG2      MET1885  13.111   8.912   2.727
    8    HG3  MET1885           HG1      MET1885  14.320  10.076   2.196
    9    HE1  MET1885           HE1      MET1885  15.024  10.363  -0.414
   10    HE2  MET1885           HE2      MET1885  14.263   9.458  -1.725
   11    HE3  MET1885           HE3      MET1885  15.281   8.623  -0.551
   12    H    LYS1886           HN       LYS1886  15.082   8.737   5.940
   13    HA   LYS1886           HA       LYS1886  12.736   7.004   6.239
   14    HB2  LYS1886           HB2      LYS1886  14.933   7.144   8.332
   15    HB3  LYS1886           HB1      LYS1886  13.482   6.148   8.395
   16    HG2  LYS1886           HG2      LYS1886  14.286   5.010   6.303
   17    HG3  LYS1886           HG1      LYS1886  15.799   5.881   6.495
   18    HD2  LYS1886           HD2      LYS1886  16.087   4.795   8.689
   19    HD3  LYS1886           HD1      LYS1886  14.603   3.877   8.398
   20    HE2  LYS1886           HE2      LYS1886  15.673   3.087   6.241
   21    HE3  LYS1886           HE1      LYS1886  17.182   3.768   6.843
   22    HZ1  LYS1886           HZ1      LYS1886  17.198   1.503   7.440
   23    HZ2  LYS1886           HZ2      LYS1886  15.584   1.555   7.909
   24    HZ3  LYS1886           HZ3      LYS1886  16.768   2.328   8.867
   25    H    SER1887           HN       SER1887  11.291   8.526   6.312
   26    HA   SER1887           HA       SER1887  11.683  10.980   7.705
   27    HB2  SER1887           HB2      SER1887  10.509  10.959   5.587
   28    HB3  SER1887           HB1      SER1887   9.260   9.917   6.255
   29    HG   SER1887           HG       SER1887   8.400  11.862   6.390
   30    H    ASN1888           HN       ASN1888   9.041   8.570   8.085
   31    HA   ASN1888           HA       ASN1888   8.192   9.907  10.524
   32    HB2  ASN1888           HB2      ASN1888   6.612   9.125   8.789
   33    HB3  ASN1888           HB1      ASN1888   7.078   7.477   9.150
   34   HD21  ASN1888          HD21      ASN1888   4.527   8.586   9.199
   35   HD22  ASN1888          HD22      ASN1888   3.871   8.431  10.793
   36    H    VAL1889           HN       VAL1889   8.503   6.488   9.934
   37    HA   VAL1889           HA       VAL1889   8.928   4.721  11.328
   38    HB   VAL1889           HB       VAL1889  10.764   6.483  12.863
   39   HG11  VAL1889          HG11      VAL1889  10.832   3.544  12.275
   40   HG12  VAL1889          HG12      VAL1889  10.416   4.331  13.804
   41   HG13  VAL1889          HG13      VAL1889  12.071   4.416  13.189
   42   HG21  VAL1889          HG21      VAL1889  11.385   6.852  10.548
   43   HG22  VAL1889          HG22      VAL1889  11.464   5.113  10.262
   44   HG23  VAL1889          HG23      VAL1889  12.630   5.882  11.337
   45    H    GLN1890           HN       GLN1890   6.784   4.961  12.028
   46    HA   GLN1890           HA       GLN1890   6.490   6.138  14.605
   47    HB2  GLN1890           HB2      GLN1890   4.012   5.811  14.242
   48    HB3  GLN1890           HB1      GLN1890   4.938   6.827  13.137
   49    HG2  GLN1890           HG2      GLN1890   3.249   5.565  11.928
   50    HG3  GLN1890           HG1      GLN1890   4.905   5.195  11.451
   51   HE21  GLN1890          HE21      GLN1890   2.142   4.053  13.178
   52   HE22  GLN1890          HE22      GLN1890   2.496   2.377  13.145
   53    H    ASN1891           HN       ASN1891   6.840   2.972  13.397
   54    HA   ASN1891           HA       ASN1891   6.836   1.883  16.019
   55    HB2  ASN1891           HB2      ASN1891   4.392   1.911  15.690
   56    HB3  ASN1891           HB1      ASN1891   4.577   1.006  14.192
   57   HD21  ASN1891          HD21      ASN1891   4.680   0.864  17.646
   58   HD22  ASN1891          HD22      ASN1891   4.691  -0.857  17.789
   59    H    ASP1892           HN       ASP1892   5.955   0.402  12.909
   60    HA   ASP1892           HA       ASP1892   8.585  -0.779  12.675
   61    HB2  ASP1892           HB2      ASP1892   7.411  -2.339  14.245
   62    HB3  ASP1892           HB1      ASP1892   6.133  -2.559  13.064
   63    H    CYS1893           HN       CYS1893   6.739  -2.853  10.984
   64    HA   CYS1893           HA       CYS1893   6.363  -3.226   8.849
   65    HB2  CYS1893           HB2      CYS1893   4.693  -1.315   9.051
   66    HB3  CYS1893           HB1      CYS1893   5.958  -0.238   8.467
   67    H    ARG1894           HN       ARG1894   8.533  -3.816   9.017
   68    HA   ARG1894           HA       ARG1894  10.345  -2.440   7.194
   69    HB2  ARG1894           HB2      ARG1894  11.423  -3.356   9.857
   70    HB3  ARG1894           HB1      ARG1894  12.108  -2.194   8.733
   71    HG2  ARG1894           HG2      ARG1894  10.394  -0.570   9.410
   72    HG3  ARG1894           HG1      ARG1894   9.762  -1.741  10.562
   73    HD2  ARG1894           HD2      ARG1894  11.109  -0.396  11.863
   74    HD3  ARG1894           HD1      ARG1894  12.153  -1.767  11.495
   75    HE   ARG1894           HE       ARG1894  12.909  -0.174   9.581
   76   HH11  ARG1894          HH11      ARG1894  12.197   0.703  12.976
   77   HH12  ARG1894          HH12      ARG1894  13.214   2.069  12.958
   78   HH21  ARG1894          HH21      ARG1894  14.138   1.679   9.538
   79   HH22  ARG1894          HH22      ARG1894  14.341   2.705  10.916
   80    H    VAL1895           HN       VAL1895  11.564  -4.069   6.181
   81    HA   VAL1895           HA       VAL1895  11.725  -6.683   7.435
   82    HB   VAL1895           HB       VAL1895   9.678  -6.823   6.045
   83   HG11  VAL1895          HG11      VAL1895  11.453  -6.142   3.725
   84   HG12  VAL1895          HG12      VAL1895  10.185  -5.122   4.410
   85   HG13  VAL1895          HG13      VAL1895   9.763  -6.644   3.624
   86   HG21  VAL1895          HG21      VAL1895  11.003  -8.843   6.271
   87   HG22  VAL1895          HG22      VAL1895  11.986  -8.379   4.883
   88   HG23  VAL1895          HG23      VAL1895  10.280  -8.772   4.662
   89    H    THR1896           HN       THR1896  13.614  -7.723   6.922
   90    HA   THR1896           HA       THR1896  15.487  -6.190   5.311
   91    HB   THR1896           HB       THR1896  16.001  -8.833   6.709
   92    HG1  THR1896           HG1      THR1896  15.143  -6.737   7.877
   93   HG21  THR1896          HG21      THR1896  17.782  -6.489   6.000
   94   HG22  THR1896          HG22      THR1896  17.721  -8.027   5.137
   95   HG23  THR1896          HG23      THR1896  18.301  -7.970   6.803
   96    H    ASN1897           HN       ASN1897  15.585  -6.586   3.182
   97    HA   ASN1897           HA       ASN1897  14.462  -9.060   2.134
   98    HB2  ASN1897           HB2      ASN1897  13.765  -7.003   1.025
   99    HB3  ASN1897           HB1      ASN1897  15.443  -6.566   0.720
  100   HD21  ASN1897          HD21      ASN1897  15.261  -6.520  -1.544
  101   HD22  ASN1897          HD22      ASN1897  14.965  -7.916  -2.465
  102    HA   PRO1898           HA       PRO1898  18.649 -10.657   2.154
  103    HB2  PRO1898           HB2      PRO1898  17.969 -13.096   1.123
  104    HB3  PRO1898           HB1      PRO1898  17.795 -12.668   2.829
  105    HG2  PRO1898           HG2      PRO1898  15.742 -12.685   0.660
  106    HG3  PRO1898           HG1      PRO1898  15.609 -13.255   2.335
  107    HD2  PRO1898           HD2      PRO1898  14.611 -10.893   1.558
  108    HD3  PRO1898           HD1      PRO1898  15.322 -11.123   3.167
  109    H    ALA1899           HN       ALA1899  16.491 -10.397  -0.535
  110    HA   ALA1899           HA       ALA1899  18.340 -11.251  -2.521
  111    HB1  ALA1899           HB1      ALA1899  15.918 -11.309  -2.884
  112    HB2  ALA1899           HB2      ALA1899  16.742 -10.367  -4.127
  113    HB3  ALA1899           HB3      ALA1899  15.876  -9.547  -2.827
  114    H    THR1900           HN       THR1900  17.582  -8.183  -1.049
  115    HA   THR1900           HA       THR1900  19.462  -6.831  -2.834
  116    HB   THR1900           HB       THR1900  17.781  -5.611  -0.617
  117    HG1  THR1900           HG1      THR1900  17.065  -6.462  -3.163
  118   HG21  THR1900          HG21      THR1900  18.147  -3.525  -1.846
  119   HG22  THR1900          HG22      THR1900  19.142  -4.390  -3.020
  120   HG23  THR1900          HG23      THR1900  19.677  -4.246  -1.345
  121    H    GLY1901           HN       GLY1901  18.989  -7.722   0.579
  122    HA2  GLY1901           HA2      GLY1901  20.629  -8.040   2.181
  123    HA3  GLY1901           HA1      GLY1901  21.808  -7.273   1.119
  124    H    HIS1902           HN       HIS1902  19.015  -5.548   1.187
  125    HA   HIS1902           HA       HIS1902  20.110  -3.584   3.096
  126    HB2  HIS1902           HB2      HIS1902  19.910  -2.967   0.609
  127    HB3  HIS1902           HB1      HIS1902  18.172  -3.043   0.834
  128    HD1  HIS1902           HD1      HIS1902  17.107  -1.077   2.430
  129    HD2  HIS1902           HD2      HIS1902  21.140  -0.670   1.463
  130    HE1  HIS1902           HE1      HIS1902  17.662   1.272   2.881
  131    HE2  HIS1902           HE2      HIS1902  19.941   1.560   1.924
  132    H    LEU1903           HN       LEU1903  18.653  -2.703   4.588
  133    HA   LEU1903           HA       LEU1903  16.324  -4.250   5.224
  134    HB2  LEU1903           HB2      LEU1903  17.674  -3.213   6.987
  135    HB3  LEU1903           HB1      LEU1903  17.377  -1.627   6.314
  136    HG   LEU1903           HG       LEU1903  14.972  -1.863   6.894
  137   HD11  LEU1903          HD11      LEU1903  14.274  -3.622   8.419
  138   HD12  LEU1903          HD12      LEU1903  15.857  -4.387   8.272
  139   HD13  LEU1903          HD13      LEU1903  14.792  -4.281   6.867
  140   HD21  LEU1903          HD21      LEU1903  16.491  -0.704   8.401
  141   HD22  LEU1903          HD22      LEU1903  16.887  -2.230   9.195
  142   HD23  LEU1903          HD23      LEU1903  15.252  -1.575   9.304
  143    H    PHE1904           HN       PHE1904  14.298  -3.883   4.480
  144    HA   PHE1904           HA       PHE1904  13.860  -1.418   3.007
  145    HB2  PHE1904           HB2      PHE1904  12.470  -4.089   2.946
  146    HB3  PHE1904           HB1      PHE1904  11.780  -2.653   2.210
  147    HD1  PHE1904           HD2      PHE1904  15.130  -2.236   1.765
  148    HD2  PHE1904           HD1      PHE1904  11.973  -4.733   0.386
  149    HE1  PHE1904           HE2      PHE1904  16.413  -2.719  -0.208
  150    HE2  PHE1904           HE1      PHE1904  13.270  -5.242  -1.638
  151    HZ   PHE1904           HZ       PHE1904  15.302  -4.221  -2.068
  152    H    ASP1905           HN       ASP1905  12.919   0.060   4.118
  153    HA   ASP1905           HA       ASP1905  10.637  -0.714   5.623
  154    HB2  ASP1905           HB2      ASP1905  11.115   0.734   7.594
  155    HB3  ASP1905           HB1      ASP1905  12.188  -0.631   7.469
  156    H    LEU1906           HN       LEU1906   9.030   0.320   5.091
  157    HA   LEU1906           HA       LEU1906   9.364   2.679   3.487
  158    HB2  LEU1906           HB2      LEU1906   6.815   1.336   4.388
  159    HB3  LEU1906           HB1      LEU1906   6.957   2.558   3.137
  160    HG   LEU1906           HG       LEU1906   8.128  -0.225   2.993
  161   HD11  LEU1906          HD11      LEU1906   6.453  -0.617   1.302
  162   HD12  LEU1906          HD12      LEU1906   5.824   1.007   1.547
  163   HD13  LEU1906          HD13      LEU1906   5.692  -0.194   2.842
  164   HD21  LEU1906          HD21      LEU1906   8.009   1.969   0.934
  165   HD22  LEU1906          HD22      LEU1906   8.594   0.326   0.669
  166   HD23  LEU1906          HD23      LEU1906   9.458   1.404   1.766
  167    H    THR1907           HN       THR1907  10.370   3.808   5.199
  168    HA   THR1907           HA       THR1907   8.750   4.547   7.440
  169    HB   THR1907           HB       THR1907  10.971   5.777   7.971
  170    HG1  THR1907           HG1      THR1907  12.315   3.861   6.505
  171   HG21  THR1907          HG21      THR1907  10.730   2.760   7.862
  172   HG22  THR1907          HG22      THR1907  10.087   3.789   9.139
  173   HG23  THR1907          HG23      THR1907  11.832   3.661   8.902
  174    H    SER1908           HN       SER1908  10.083   6.094   4.560
  175    HA   SER1908           HA       SER1908   8.915   8.591   5.359
  176    HB2  SER1908           HB2      SER1908  10.162   7.727   2.746
  177    HB3  SER1908           HB1      SER1908   9.675   9.380   3.146
  178    HG   SER1908           HG       SER1908  11.576   9.529   3.929
  179    H    LEU1909           HN       LEU1909   7.843   5.763   3.907
  180    HA   LEU1909           HA       LEU1909   5.757   7.032   2.373
  181    HB2  LEU1909           HB2      LEU1909   6.868   4.927   1.643
  182    HB3  LEU1909           HB1      LEU1909   6.139   4.107   3.009
  183    HG   LEU1909           HG       LEU1909   3.914   4.476   2.088
  184   HD11  LEU1909          HD11      LEU1909   3.649   5.471  -0.130
  185   HD12  LEU1909          HD12      LEU1909   5.374   5.828  -0.175
  186   HD13  LEU1909          HD13      LEU1909   4.341   6.624   1.011
  187   HD21  LEU1909          HD21      LEU1909   5.152   2.487   1.402
  188   HD22  LEU1909          HD22      LEU1909   5.841   3.381   0.047
  189   HD23  LEU1909          HD23      LEU1909   4.106   3.070   0.109
  190    H    LYS1910           HN       LYS1910   6.160   5.567   5.488
  191    HA   LYS1910           HA       LYS1910   3.351   5.514   6.055
  192    HB2  LYS1910           HB2      LYS1910   4.052   5.067   8.440
  193    HB3  LYS1910           HB1      LYS1910   4.639   3.897   7.277
  194    HG2  LYS1910           HG2      LYS1910   6.846   4.794   7.373
  195    HG3  LYS1910           HG1      LYS1910   6.303   6.186   8.307
  196    HD2  LYS1910           HD2      LYS1910   7.447   4.569   9.730
  197    HD3  LYS1910           HD1      LYS1910   5.760   4.728  10.184
  198    HE2  LYS1910           HE2      LYS1910   6.347   2.400  10.269
  199    HE3  LYS1910           HE1      LYS1910   5.276   2.646   8.897
  200    HZ1  LYS1910           HZ1      LYS1910   8.240   2.380   8.740
  201    HZ2  LYS1910           HZ2      LYS1910   7.198   2.538   7.411
  202    HZ3  LYS1910           HZ3      LYS1910   7.141   1.167   8.397
  203    H    ARG1911           HN       ARG1911   2.175   7.150   6.564
  204    HA   ARG1911           HA       ARG1911   3.343   9.374   7.993
  205    HB2  ARG1911           HB2      ARG1911   1.993  10.913   6.362
  206    HB3  ARG1911           HB1      ARG1911   3.565  10.300   5.873
  207    HG2  ARG1911           HG2      ARG1911   2.225   8.400   4.761
  208    HG3  ARG1911           HG1      ARG1911   0.844   9.484   4.944
  209    HD2  ARG1911           HD2      ARG1911   3.424  10.266   3.612
  210    HD3  ARG1911           HD1      ARG1911   2.046   9.608   2.742
  211    HE   ARG1911           HE       ARG1911   0.965  11.681   4.034
  212   HH11  ARG1911          HH11      ARG1911   4.099  11.677   2.424
  213   HH12  ARG1911          HH12      ARG1911   3.811  13.078   1.501
  214   HH21  ARG1911          HH21      ARG1911   0.555  13.659   2.774
  215   HH22  ARG1911          HH22      ARG1911   1.742  14.234   1.694
  216    H    GLU1912           HN       GLU1912   1.065  11.033   8.075
  217    HA   GLU1912           HA       GLU1912  -0.442   9.414   9.964
  218    HB2  GLU1912           HB2      GLU1912   0.379  11.782  10.368
  219    HB3  GLU1912           HB1      GLU1912  -0.900  12.304   9.286
  220    HG2  GLU1912           HG2      GLU1912  -1.705  12.555  11.491
  221    HG3  GLU1912           HG1      GLU1912  -2.518  11.143  10.805
  222    H    SER1913           HN       SER1913  -1.123  11.344   7.070
  223    HA   SER1913           HA       SER1913  -3.838  10.364   7.121
  224    HB2  SER1913           HB2      SER1913  -2.545  12.345   5.239
  225    HB3  SER1913           HB1      SER1913  -4.276  12.023   5.399
  226    HG   SER1913           HG       SER1913  -2.505  13.213   7.233
  227    H    GLY1914           HN       GLY1914  -1.158  10.497   4.732
  228    HA2  GLY1914           HA2      GLY1914  -0.559   8.172   3.961
  229    HA3  GLY1914           HA1      GLY1914  -2.284   8.011   3.620
  230    H    TYR1915           HN       TYR1915  -1.360   7.422   1.503
  231    HA   TYR1915           HA       TYR1915  -0.743   9.740  -0.203
  232    HB2  TYR1915           HB2      TYR1915  -0.048   6.850  -0.275
  233    HB3  TYR1915           HB1      TYR1915  -0.415   7.626  -1.807
  234    HD1  TYR1915           HD1      TYR1915   1.497   8.523   1.249
  235    HD2  TYR1915           HD2      TYR1915   1.510   8.210  -2.988
  236    HE1  TYR1915           HE1      TYR1915   3.809   9.362   1.205
  237    HE2  TYR1915           HE2      TYR1915   3.828   9.057  -3.043
  238    HH   TYR1915           HH       TYR1915   5.711   9.342  -0.178
  239    H    THR1916           HN       THR1916  -1.789   9.823  -2.222
  240    HA   THR1916           HA       THR1916  -4.360   8.454  -2.363
  241    HB   THR1916           HB       THR1916  -4.534  10.707  -1.063
  242    HG1  THR1916           HG1      THR1916  -6.396  10.298  -1.706
  243   HG21  THR1916          HG21      THR1916  -4.518  12.729  -2.473
  244   HG22  THR1916          HG22      THR1916  -3.954  11.737  -3.832
  245   HG23  THR1916          HG23      THR1916  -2.935  11.938  -2.418
  246    H    ILE1917           HN       ILE1917  -5.191   8.361  -4.096
  247    HA   ILE1917           HA       ILE1917  -3.927   9.253  -6.515
  248    HB   ILE1917           HB       ILE1917  -4.241   6.838  -7.288
  249   HG12  ILE1917          HG12      ILE1917  -3.501   6.334  -4.407
  250   HG13  ILE1917          HG11      ILE1917  -4.999   5.878  -5.202
  251   HG21  ILE1917          HG21      ILE1917  -1.801   6.398  -6.998
  252   HG22  ILE1917          HG22      ILE1917  -1.745   7.783  -5.907
  253   HG23  ILE1917          HG23      ILE1917  -2.187   8.010  -7.599
  254   HD11  ILE1917          HD11      ILE1917  -3.539   3.968  -4.919
  255   HD12  ILE1917          HD12      ILE1917  -2.258   4.799  -5.796
  256   HD13  ILE1917          HD13      ILE1917  -3.741   4.331  -6.636
  257    H    THR1918           HN       THR1918  -5.234   8.263  -8.372
  258    HA   THR1918           HA       THR1918  -8.041   8.607  -7.694
  259    HB   THR1918           HB       THR1918  -6.815   8.292 -10.450
  260    HG1  THR1918           HG1      THR1918  -5.723   9.960  -9.387
  261   HG21  THR1918          HG21      THR1918  -9.276   9.757  -9.446
  262   HG22  THR1918          HG22      THR1918  -9.280   8.208 -10.290
  263   HG23  THR1918          HG23      THR1918  -8.747   9.666 -11.128
  264    H    ASP1919           HN       ASP1919  -9.576   6.987  -8.191
  265    HA   ASP1919           HA       ASP1919  -8.546   4.287  -8.336
  266    HB2  ASP1919           HB2      ASP1919 -10.346   4.763  -6.740
  267    HB3  ASP1919           HB1      ASP1919 -11.343   5.468  -7.994
  268    H    SER1920           HN       SER1920 -10.793   3.236  -9.902
  269    HA   SER1920           HA       SER1920  -9.649   3.090 -12.355
  270    HB2  SER1920           HB2      SER1920 -11.994   2.249 -13.065
  271    HB3  SER1920           HB1      SER1920 -11.116   1.359 -11.814
  272    HG   SER1920           HG       SER1920 -12.424   2.576 -10.270
  273    H    HIS1921           HN       HIS1921 -12.293   5.344 -11.453
  274    HA   HIS1921           HA       HIS1921 -11.380   7.124 -13.530
  275    HB2  HIS1921           HB2      HIS1921 -12.729   5.475 -14.823
  276    HB3  HIS1921           HB1      HIS1921 -14.135   5.937 -13.878
  277    HD1  HIS1921           HD1      HIS1921 -11.796   7.233 -16.503
  278    HD2  HIS1921           HD2      HIS1921 -15.406   8.264 -14.738
  279    HE1  HIS1921           HE1      HIS1921 -12.794   9.018 -17.982
  280    HE2  HIS1921           HE2      HIS1921 -15.125   9.289 -17.064
  281    H    ASN1922           HN       ASN1922 -13.881   6.422 -11.139
  282    HA   ASN1922           HA       ASN1922 -14.429   9.329 -11.058
  283    HB2  ASN1922           HB2      ASN1922 -16.269   7.642 -11.653
  284    HB3  ASN1922           HB1      ASN1922 -16.167   7.206  -9.960
  285   HD21  ASN1922          HD21      ASN1922 -15.799  10.563 -11.076
  286   HD22  ASN1922          HD22      ASN1922 -17.216  11.140 -10.311
  287    H    ARG1923           HN       ARG1923 -14.202   6.451  -9.214
  288    HA   ARG1923           HA       ARG1923 -14.434   7.647  -6.622
  289    HB2  ARG1923           HB2      ARG1923 -13.140   5.009  -7.278
  290    HB3  ARG1923           HB1      ARG1923 -13.869   5.470  -5.736
  291    HG2  ARG1923           HG2      ARG1923 -16.077   5.535  -6.982
  292    HG3  ARG1923           HG1      ARG1923 -15.198   4.835  -8.351
  293    HD2  ARG1923           HD2      ARG1923 -15.524   3.598  -5.615
  294    HD3  ARG1923           HD1      ARG1923 -16.324   3.084  -7.094
  295    HE   ARG1923           HE       ARG1923 -13.543   3.015  -7.498
  296   HH11  ARG1923          HH11      ARG1923 -16.047   1.216  -5.754
  297   HH12  ARG1923          HH12      ARG1923 -15.147  -0.218  -5.608
  298   HH21  ARG1923          HH21      ARG1923 -12.237   1.175  -7.220
  299   HH22  ARG1923          HH22      ARG1923 -12.852  -0.250  -6.507
  300    H    LYS1924           HN       LYS1924 -12.550   7.358  -4.950
  301    HA   LYS1924           HA       LYS1924 -10.007   8.006  -6.257
  302    HB2  LYS1924           HB2      LYS1924 -11.301   9.984  -5.268
  303    HB3  LYS1924           HB1      LYS1924 -11.002   9.259  -3.698
  304    HG2  LYS1924           HG2      LYS1924  -8.591   9.433  -4.095
  305    HG3  LYS1924           HG1      LYS1924  -8.919  10.196  -5.652
  306    HD2  LYS1924           HD2      LYS1924 -10.184  11.962  -4.428
  307    HD3  LYS1924           HD1      LYS1924  -9.624  11.237  -2.918
  308    HE2  LYS1924           HE2      LYS1924  -7.292  11.561  -3.694
  309    HE3  LYS1924           HE1      LYS1924  -7.922  12.410  -5.108
  310    HZ1  LYS1924           HZ1      LYS1924  -8.190  13.179  -2.278
  311    HZ2  LYS1924           HZ2      LYS1924  -9.022  13.958  -3.507
  312    HZ3  LYS1924           HZ3      LYS1924  -7.316  14.018  -3.459
  313    H    ILE1925           HN       ILE1925  -8.128   7.293  -5.053
  314    HA   ILE1925           HA       ILE1925  -8.787   5.208  -3.095
  315    HB   ILE1925           HB       ILE1925  -6.306   5.347  -4.846
  316   HG12  ILE1925          HG12      ILE1925  -8.699   3.536  -5.069
  317   HG13  ILE1925          HG11      ILE1925  -8.346   4.886  -6.147
  318   HG21  ILE1925          HG21      ILE1925  -5.968   4.208  -2.710
  319   HG22  ILE1925          HG22      ILE1925  -5.929   3.055  -4.042
  320   HG23  ILE1925          HG23      ILE1925  -7.367   3.180  -3.025
  321   HD11  ILE1925          HD11      ILE1925  -6.283   3.741  -6.888
  322   HD12  ILE1925          HD12      ILE1925  -7.695   2.735  -7.181
  323   HD13  ILE1925          HD13      ILE1925  -6.640   2.398  -5.811
  324    H    GLU1926           HN       GLU1926  -8.182   5.670  -1.160
  325    HA   GLU1926           HA       GLU1926  -5.949   7.547  -0.714
  326    HB2  GLU1926           HB2      GLU1926  -8.313   8.183   0.038
  327    HB3  GLU1926           HB1      GLU1926  -8.192   6.861   1.185
  328    HG2  GLU1926           HG2      GLU1926  -7.692   8.892   2.303
  329    HG3  GLU1926           HG1      GLU1926  -6.204   7.962   2.155
  330    H    LEU1927           HN       LEU1927  -4.196   6.421   0.021
  331    HA   LEU1927           HA       LEU1927  -4.648   4.248   1.818
  332    HB2  LEU1927           HB2      LEU1927  -3.045   2.694   0.379
  333    HB3  LEU1927           HB1      LEU1927  -4.740   2.807   0.111
  334    HG   LEU1927           HG       LEU1927  -4.478   4.215  -1.831
  335   HD11  LEU1927          HD11      LEU1927  -1.506   4.058  -1.435
  336   HD12  LEU1927          HD12      LEU1927  -2.528   5.493  -1.241
  337   HD13  LEU1927          HD13      LEU1927  -2.370   4.735  -2.823
  338   HD21  LEU1927          HD21      LEU1927  -4.434   1.835  -2.159
  339   HD22  LEU1927          HD22      LEU1927  -2.690   1.807  -1.911
  340   HD23  LEU1927          HD23      LEU1927  -3.368   2.631  -3.316
  341    H    ASN1928           HN       ASN1928  -3.377   4.186   3.389
  342    HA   ASN1928           HA       ASN1928  -0.784   5.549   3.166
  343    HB2  ASN1928           HB2      ASN1928  -2.419   6.491   4.851
  344    HB3  ASN1928           HB1      ASN1928  -2.345   4.952   5.697
  345   HD21  ASN1928          HD21      ASN1928  -1.605   6.147   7.524
  346   HD22  ASN1928          HD22      ASN1928   0.012   6.669   7.658
  347    H    VAL1929           HN       VAL1929   1.004   4.424   3.713
  348    HA   VAL1929           HA       VAL1929   0.518   1.568   4.079
  349    HB   VAL1929           HB       VAL1929   2.780   2.896   2.559
  350   HG11  VAL1929          HG11      VAL1929   3.421   0.631   1.916
  351   HG12  VAL1929          HG12      VAL1929   2.148  -0.023   2.948
  352   HG13  VAL1929          HG13      VAL1929   3.505   0.845   3.666
  353   HG21  VAL1929          HG21      VAL1929   0.449   1.252   1.581
  354   HG22  VAL1929          HG22      VAL1929   1.773   1.856   0.585
  355   HG23  VAL1929          HG23      VAL1929   0.664   2.988   1.358
  356    H    CYS1930           HN       CYS1930   1.405   0.617   5.687
  357    HA   CYS1930           HA       CYS1930   2.726   0.033   7.392
  358    HB2  CYS1930           HB2      CYS1930   4.457   2.332   6.523
  359    HB3  CYS1930           HB1      CYS1930   4.845   1.284   7.877
  360    H    ALA1931           HN       ALA1931   0.848   2.640   7.294
  361    HA   ALA1931           HA       ALA1931   0.763   2.804  10.145
  362    HB1  ALA1931           HB1      ALA1931   0.842   5.279  10.153
  363    HB2  ALA1931           HB2      ALA1931   1.246   5.262   8.436
  364    HB3  ALA1931           HB3      ALA1931   2.372   4.588   9.614
  365    H    GLU1932           HN       GLU1932  -1.248   3.781  10.775
  366    HA   GLU1932           HA       GLU1932  -3.379   3.082   9.045
  367    HB2  GLU1932           HB2      GLU1932  -4.840   4.013  10.824
  368    HB3  GLU1932           HB1      GLU1932  -3.667   2.848  11.415
  369    HG2  GLU1932           HG2      GLU1932  -2.320   4.586  12.338
  370    HG3  GLU1932           HG1      GLU1932  -3.333   5.820  11.576
  371    H    ALA1933           HN       ALA1933  -4.970   4.408   8.020
  372    HA   ALA1933           HA       ALA1933  -3.841   6.938   7.133
  373    HB1  ALA1933           HB1      ALA1933  -6.143   5.330   6.028
  374    HB2  ALA1933           HB2      ALA1933  -4.485   5.304   5.423
  375    HB3  ALA1933           HB3      ALA1933  -5.446   6.779   5.304
  376    H    LYS1934           HN       LYS1934  -4.768   8.830   7.527
  377    HA   LYS1934           HA       LYS1934  -7.350   8.798   8.952
  378    HB2  LYS1934           HB2      LYS1934  -4.979  10.567   9.465
  379    HB3  LYS1934           HB1      LYS1934  -6.572  10.843  10.148
  380    HG2  LYS1934           HG2      LYS1934  -6.428   8.668  11.288
  381    HG3  LYS1934           HG1      LYS1934  -4.795   8.462  10.637
  382    HD2  LYS1934           HD2      LYS1934  -4.062  10.469  11.759
  383    HD3  LYS1934           HD1      LYS1934  -5.696  10.772  12.341
  384    HE2  LYS1934           HE2      LYS1934  -4.342   9.841  14.107
  385    HE3  LYS1934           HE1      LYS1934  -5.588   8.689  13.635
  386    HZ1  LYS1934           HZ1      LYS1934  -2.814   8.588  12.600
  387    HZ2  LYS1934           HZ2      LYS1934  -4.028   7.340  12.583
  388    HZ3  LYS1934           HZ3      LYS1934  -3.318   7.837  14.014
  389    H    SER1935           HN       SER1935  -6.181   9.636   6.025
  390    HA   SER1935           HA       SER1935  -6.860  12.324   5.667
  391    HB2  SER1935           HB2      SER1935  -7.230  10.127   3.638
  392    HB3  SER1935           HB1      SER1935  -6.978  11.842   3.322
  393    HG   SER1935           HG       SER1935  -5.134  10.476   3.077
  394    H    SER1936           HN       SER1936  -8.812   9.492   4.792
  395    HA   SER1936           HA       SER1936 -11.241  10.900   5.580
  396    HB2  SER1936           HB2      SER1936 -10.861   9.403   2.964
  397    HB3  SER1936           HB1      SER1936 -12.336  10.209   3.504
  398    HG   SER1936           HG       SER1936 -10.729  12.082   3.689
  399    H    CYS1937           HN       CYS1937  -9.453   8.833   6.646
  400    HA   CYS1937           HA       CYS1937 -11.235   6.505   6.706
  401    HB2  CYS1937           HB2      CYS1937  -8.231   6.544   7.090
  402    HB3  CYS1937           HB1      CYS1937  -9.275   5.131   6.978
  403    H    ALA1938           HN       ALA1938 -11.270   5.487   8.826
  404    HA   ALA1938           HA       ALA1938 -11.290   7.491  10.871
  405    HB1  ALA1938           HB1      ALA1938 -12.261   5.796  12.313
  406    HB2  ALA1938           HB2      ALA1938 -11.866   4.544  11.136
  407    HB3  ALA1938           HB3      ALA1938 -13.052   5.788  10.735
  408    H    ASN1939           HN       ASN1939 -10.104   4.269  11.695
  409    HA   ASN1939           HA       ASN1939  -7.626   5.527  12.194
  410    HB2  ASN1939           HB2      ASN1939  -7.225   4.282  14.290
  411    HB3  ASN1939           HB1      ASN1939  -8.661   5.285  14.368
  412   HD21  ASN1939          HD21      ASN1939  -7.755   2.918  15.855
  413   HD22  ASN1939          HD22      ASN1939  -9.067   1.777  15.761
  414    H    GLY1940           HN       GLY1940  -8.633   2.127  12.494
  415    HA2  GLY1940           HA2      GLY1940  -6.163   1.147  11.539
  416    HA3  GLY1940           HA1      GLY1940  -7.594   0.216  11.922
  417    H    ALA1941           HN       ALA1941  -8.166   2.618   9.678
  418    HA   ALA1941           HA       ALA1941  -8.305   0.650   7.540
  419    HB1  ALA1941           HB1      ALA1941  -9.497   2.480   6.345
  420    HB2  ALA1941           HB2      ALA1941  -9.275   3.493   7.782
  421    HB3  ALA1941           HB3      ALA1941 -10.260   2.040   7.873
  422    H    ALA1942           HN       ALA1942  -6.615   0.522   6.174
  423    HA   ALA1942           HA       ALA1942  -4.708   2.753   6.165
  424    HB1  ALA1942           HB1      ALA1942  -4.316  -0.097   5.253
  425    HB2  ALA1942           HB2      ALA1942  -3.781   0.570   6.798
  426    HB3  ALA1942           HB3      ALA1942  -3.080   1.160   5.288
  427    H    VAL1943           HN       VAL1943  -6.491   0.567   4.066
  428    HA   VAL1943           HA       VAL1943  -5.983   2.449   1.884
  429    HB   VAL1943           HB       VAL1943  -6.788  -0.463   1.616
  430   HG11  VAL1943          HG11      VAL1943  -7.441   0.911  -0.272
  431   HG12  VAL1943          HG12      VAL1943  -6.142  -0.190  -0.731
  432   HG13  VAL1943          HG13      VAL1943  -5.791   1.512  -0.429
  433   HG21  VAL1943          HG21      VAL1943  -4.477  -0.916   0.919
  434   HG22  VAL1943          HG22      VAL1943  -4.556  -0.347   2.588
  435   HG23  VAL1943          HG23      VAL1943  -4.041   0.749   1.306
  436    H    CYS1944           HN       CYS1944  -7.675   3.636   1.480
  437    HA   CYS1944           HA       CYS1944 -10.351   2.531   1.954
  438    HB2  CYS1944           HB2      CYS1944  -9.434   5.389   2.190
  439    HB3  CYS1944           HB1      CYS1944 -11.068   4.797   2.451
  440    H    ILE1945           HN       ILE1945 -11.565   2.463   0.232
  441    HA   ILE1945           HA       ILE1945 -10.842   4.085  -2.097
  442    HB   ILE1945           HB       ILE1945 -12.970   1.923  -1.876
  443   HG12  ILE1945          HG12      ILE1945 -10.730   0.947  -1.569
  444   HG13  ILE1945          HG11      ILE1945 -11.441   0.440  -3.095
  445   HG21  ILE1945          HG21      ILE1945 -12.959   1.982  -4.336
  446   HG22  ILE1945          HG22      ILE1945 -11.794   3.308  -4.283
  447   HG23  ILE1945          HG23      ILE1945 -13.416   3.536  -3.634
  448   HD11  ILE1945          HD11      ILE1945  -9.076   0.928  -3.335
  449   HD12  ILE1945          HD12      ILE1945  -9.334   2.567  -2.732
  450   HD13  ILE1945          HD13      ILE1945 -10.040   2.071  -4.270
  451    H    THR1946           HN       THR1946 -11.750   6.068  -1.953
  452    HA   THR1946           HA       THR1946 -14.169   6.285  -0.435
  453    HB   THR1946           HB       THR1946 -13.536   8.776  -0.738
  454    HG1  THR1946           HG1      THR1946 -11.811   9.003  -1.835
  455   HG21  THR1946          HG21      THR1946 -13.583   7.624   1.358
  456   HG22  THR1946          HG22      THR1946 -12.156   8.661   1.282
  457   HG23  THR1946          HG23      THR1946 -11.993   6.906   1.063
  458    H    ASP1947           HN       ASP1947 -15.938   6.355  -1.480
  459    HA   ASP1947           HA       ASP1947 -15.993   8.085  -3.801
  460    HB2  ASP1947           HB2      ASP1947 -16.081   5.736  -4.619
  461    HB3  ASP1947           HB1      ASP1947 -17.473   5.447  -3.582
  462    H    GLY1948           HN       GLY1948 -16.645   9.603  -2.480
  463    HA2  GLY1948           HA2      GLY1948 -18.385  10.987  -1.752
  464    HA3  GLY1948           HA1      GLY1948 -19.509   9.640  -1.956
  465    HA   PRO1949           HA       PRO1949 -19.003   9.675   2.570
  466    HB2  PRO1949           HB2      PRO1949 -21.555   8.233   2.532
  467    HB3  PRO1949           HB1      PRO1949 -21.167   9.774   3.297
  468    HG2  PRO1949           HG2      PRO1949 -22.780   9.602   1.139
  469    HG3  PRO1949           HG1      PRO1949 -21.722  10.997   1.427
  470    HD2  PRO1949           HD2      PRO1949 -21.324   8.663  -0.409
  471    HD3  PRO1949           HD1      PRO1949 -20.999  10.388  -0.690
  472    H    LYS1950           HN       LYS1950 -19.625   7.238   0.230
  473    HA   LYS1950           HA       LYS1950 -19.501   4.984   1.987
  474    HB2  LYS1950           HB2      LYS1950 -20.763   4.945  -0.148
  475    HB3  LYS1950           HB1      LYS1950 -19.243   5.074  -1.026
  476    HG2  LYS1950           HG2      LYS1950 -18.531   2.940   0.032
  477    HG3  LYS1950           HG1      LYS1950 -20.146   2.802   0.726
  478    HD2  LYS1950           HD2      LYS1950 -21.100   2.829  -1.530
  479    HD3  LYS1950           HD1      LYS1950 -19.475   2.942  -2.210
  480    HE2  LYS1950           HE2      LYS1950 -20.612   0.660  -0.588
  481    HE3  LYS1950           HE1      LYS1950 -20.239   0.649  -2.311
  482    HZ1  LYS1950           HZ1      LYS1950 -17.865   1.082  -1.637
  483    HZ2  LYS1950           HZ2      LYS1950 -18.475  -0.430  -1.218
  484    HZ3  LYS1950           HZ3      LYS1950 -18.345   0.776  -0.037
  485    H    THR1951           HN       THR1951 -17.732   4.474   2.931
  486    HA   THR1951           HA       THR1951 -15.167   4.848   1.569
  487    HB   THR1951           HB       THR1951 -15.715   4.494   4.530
  488    HG1  THR1951           HG1      THR1951 -16.628   6.422   3.512
  489   HG21  THR1951          HG21      THR1951 -13.443   5.420   4.777
  490   HG22  THR1951          HG22      THR1951 -13.289   5.516   3.023
  491   HG23  THR1951          HG23      THR1951 -13.415   3.943   3.814
  492    H    LEU1952           HN       LEU1952 -14.460   2.987   0.710
  493    HA   LEU1952           HA       LEU1952 -15.249   0.409   1.859
  494    HB2  LEU1952           HB2      LEU1952 -15.488   0.754  -0.565
  495    HB3  LEU1952           HB1      LEU1952 -13.784   1.133  -0.687
  496    HG   LEU1952           HG       LEU1952 -13.270  -1.207   0.014
  497   HD11  LEU1952          HD11      LEU1952 -15.329  -1.721   1.188
  498   HD12  LEU1952          HD12      LEU1952 -15.036  -2.883  -0.106
  499   HD13  LEU1952          HD13      LEU1952 -16.234  -1.608  -0.322
  500   HD21  LEU1952          HD21      LEU1952 -13.844  -2.209  -2.141
  501   HD22  LEU1952          HD22      LEU1952 -13.252  -0.558  -2.327
  502   HD23  LEU1952          HD23      LEU1952 -14.979  -0.893  -2.446
  503    H    ASN1953           HN       ASN1953 -13.747  -0.891   2.953
  504    HA   ASN1953           HA       ASN1953 -11.128   0.323   3.264
  505    HB2  ASN1953           HB2      ASN1953 -12.559  -1.741   4.956
  506    HB3  ASN1953           HB1      ASN1953 -10.872  -1.309   5.182
  507   HD21  ASN1953          HD21      ASN1953 -11.370   1.554   4.605
  508   HD22  ASN1953          HD22      ASN1953 -12.155   2.162   6.010
  509    H    ALA1954           HN       ALA1954 -10.034  -0.278   1.617
  510    HA   ALA1954           HA       ALA1954 -10.120  -3.006   0.630
  511    HB1  ALA1954           HB1      ALA1954  -8.771  -2.133  -1.218
  512    HB2  ALA1954           HB2      ALA1954  -8.661  -0.570  -0.406
  513    HB3  ALA1954           HB3      ALA1954 -10.222  -1.160  -0.976
  514    H    GLY1955           HN       GLY1955  -9.021  -2.348   3.199
  515    HA2  GLY1955           HA2      GLY1955  -7.126  -4.102   3.610
  516    HA3  GLY1955           HA1      GLY1955  -6.174  -2.796   2.912
  517    H    LYS1956           HN       LYS1956  -7.063  -4.086   5.771
  518    HA   LYS1956           HA       LYS1956  -7.358  -1.531   7.121
  519    HB2  LYS1956           HB2      LYS1956  -7.983  -2.732   9.031
  520    HB3  LYS1956           HB1      LYS1956  -8.587  -3.766   7.748
  521    HG2  LYS1956           HG2      LYS1956  -6.464  -5.108   7.989
  522    HG3  LYS1956           HG1      LYS1956  -6.123  -4.152   9.429
  523    HD2  LYS1956           HD2      LYS1956  -8.469  -5.969   8.944
  524    HD3  LYS1956           HD1      LYS1956  -7.158  -6.205  10.092
  525    HE2  LYS1956           HE2      LYS1956  -7.934  -4.315  11.404
  526    HE3  LYS1956           HE1      LYS1956  -9.177  -3.959  10.216
  527    HZ1  LYS1956           HZ1      LYS1956  -8.989  -6.371  11.928
  528    HZ2  LYS1956           HZ2      LYS1956 -10.038  -6.244  10.623
  529    HZ3  LYS1956           HZ3      LYS1956 -10.220  -5.193  11.941
  530    H    LEU1957           HN       LEU1957  -5.834  -0.983   8.799
  531    HA   LEU1957           HA       LEU1957  -3.224  -1.247   7.801
  532    HB2  LEU1957           HB2      LEU1957  -3.979   0.825   8.872
  533    HB3  LEU1957           HB1      LEU1957  -4.171  -0.012  10.392
  534    HG   LEU1957           HG       LEU1957  -2.109   1.530  10.020
  535   HD11  LEU1957          HD11      LEU1957  -0.699   0.158  11.441
  536   HD12  LEU1957          HD12      LEU1957  -1.733  -1.236  11.119
  537   HD13  LEU1957          HD13      LEU1957  -2.376   0.160  11.987
  538   HD21  LEU1957          HD21      LEU1957  -0.133   0.387   9.129
  539   HD22  LEU1957          HD22      LEU1957  -1.368   0.627   7.894
  540   HD23  LEU1957          HD23      LEU1957  -1.146  -0.966   8.626
  541    H    SER1958           HN       SER1958  -2.286  -2.981   7.808
  542    HA   SER1958           HA       SER1958  -1.614  -4.299  10.310
  543    HB2  SER1958           HB2      SER1958  -2.051  -5.671   7.637
  544    HB3  SER1958           HB1      SER1958  -1.826  -6.435   9.218
  545    HG   SER1958           HG       SER1958  -3.987  -4.849   8.364
  546    H    LYS1959           HN       LYS1959   0.476  -3.610  10.421
  547    HA   LYS1959           HA       LYS1959   1.771  -2.854   7.960
  548    HB2  LYS1959           HB2      LYS1959   3.464  -1.777   9.363
  549    HB3  LYS1959           HB1      LYS1959   1.845  -1.286   9.819
  550    HG2  LYS1959           HG2      LYS1959   1.960  -2.891  11.701
  551    HG3  LYS1959           HG1      LYS1959   3.653  -3.201  11.282
  552    HD2  LYS1959           HD2      LYS1959   3.740  -1.585  12.977
  553    HD3  LYS1959           HD1      LYS1959   3.944  -0.662  11.487
  554    HE2  LYS1959           HE2      LYS1959   2.386   0.497  12.923
  555    HE3  LYS1959           HE1      LYS1959   1.513  -0.147  11.531
  556    HZ1  LYS1959           HZ1      LYS1959   0.387  -0.512  13.741
  557    HZ2  LYS1959           HZ2      LYS1959   1.643  -1.547  14.155
  558    HZ3  LYS1959           HZ3      LYS1959   0.638  -1.919  12.865
  559    H    THR1960           HN       THR1960   1.452  -5.406   7.811
  560    HA   THR1960           HA       THR1960   3.774  -6.919   8.623
  561    HB   THR1960           HB       THR1960   1.523  -7.687   6.737
  562    HG1  THR1960           HG1      THR1960   1.709  -7.743   9.566
  563   HG21  THR1960          HG21      THR1960   3.472  -9.194   6.752
  564   HG22  THR1960          HG22      THR1960   2.062  -9.975   7.471
  565   HG23  THR1960          HG23      THR1960   3.343  -9.341   8.505
  566    H    LEU1961           HN       LEU1961   5.586  -6.346   7.463
  567    HA   LEU1961           HA       LEU1961   5.287  -5.829   4.599
  568    HB2  LEU1961           HB2      LEU1961   6.067  -3.893   6.004
  569    HB3  LEU1961           HB1      LEU1961   7.461  -4.847   6.459
  570    HG   LEU1961           HG       LEU1961   8.190  -4.889   4.099
  571   HD11  LEU1961          HD11      LEU1961   6.022  -4.673   3.030
  572   HD12  LEU1961          HD12      LEU1961   7.122  -3.410   2.481
  573   HD13  LEU1961          HD13      LEU1961   5.860  -3.031   3.655
  574   HD21  LEU1961          HD21      LEU1961   8.870  -2.543   3.959
  575   HD22  LEU1961          HD22      LEU1961   9.046  -3.164   5.599
  576   HD23  LEU1961          HD23      LEU1961   7.684  -2.122   5.195
  577    H    THR1962           HN       THR1962   6.471  -7.099   3.250
  578    HA   THR1962           HA       THR1962   8.498  -8.807   4.321
  579    HB   THR1962           HB       THR1962   6.596 -10.082   4.958
  580    HG1  THR1962           HG1      THR1962   6.681 -11.937   3.621
  581   HG21  THR1962          HG21      THR1962   4.894  -8.958   3.729
  582   HG22  THR1962          HG22      THR1962   4.756 -10.696   3.427
  583   HG23  THR1962          HG23      THR1962   5.461  -9.632   2.196
  584    H    TYR1963           HN       TYR1963   8.757 -10.507   2.238
  585    HA   TYR1963           HA       TYR1963   9.039  -8.786  -0.115
  586    HB2  TYR1963           HB2      TYR1963  11.297  -9.752  -0.524
  587    HB3  TYR1963           HB1      TYR1963  11.243  -8.840   0.977
  588    HD1  TYR1963           HD2      TYR1963  11.205 -10.072   3.159
  589    HD2  TYR1963           HD1      TYR1963  11.812 -12.080  -0.542
  590    HE1  TYR1963           HE2      TYR1963  12.058 -12.028   4.365
  591    HE2  TYR1963           HE1      TYR1963  12.661 -14.041   0.657
  592    HH   TYR1963           HH       TYR1963  12.174 -14.482   3.899
  593    H    GLU1964           HN       GLU1964   8.966  -9.909  -2.089
  594    HA   GLU1964           HA       GLU1964   8.593 -12.750  -2.182
  595    HB2  GLU1964           HB2      GLU1964   6.379 -12.105  -1.376
  596    HB3  GLU1964           HB1      GLU1964   6.247 -10.887  -2.626
  597    HG2  GLU1964           HG2      GLU1964   4.882 -12.775  -3.175
  598    HG3  GLU1964           HG1      GLU1964   6.216 -12.668  -4.320
  599    H    ASP1965           HN       ASP1965   9.546 -13.287  -3.994
  600    HA   ASP1965           HA       ASP1965  10.222 -13.395  -6.149
  601    HB2  ASP1965           HB2      ASP1965   7.807 -12.991  -6.666
  602    HB3  ASP1965           HB1      ASP1965   8.106 -11.265  -6.645
  603    H    GLN1966           HN       GLN1966  11.448 -11.726  -4.204
  604    HA   GLN1966           HA       GLN1966  13.162 -10.341  -3.937
  605    HB2  GLN1966           HB2      GLN1966  13.328 -10.415  -6.955
  606    HB3  GLN1966           HB1      GLN1966  14.534  -9.650  -5.928
  607    HG2  GLN1966           HG2      GLN1966  15.023 -11.767  -4.864
  608    HG3  GLN1966           HG1      GLN1966  13.752 -12.552  -5.792
  609   HE21  GLN1966          HE21      GLN1966  14.438 -11.115  -8.233
  610   HE22  GLN1966          HE22      GLN1966  15.872 -11.868  -8.832
  611    H    VAL1967           HN       VAL1967  10.370  -9.380  -4.839
  612    HA   VAL1967           HA       VAL1967  11.027  -6.516  -5.002
  613    HB   VAL1967           HB       VAL1967   8.404  -7.921  -5.748
  614   HG11  VAL1967          HG11      VAL1967   7.788  -5.855  -6.845
  615   HG12  VAL1967          HG12      VAL1967   9.279  -5.102  -6.279
  616   HG13  VAL1967          HG13      VAL1967   8.055  -5.625  -5.119
  617   HG21  VAL1967          HG21      VAL1967  10.147  -8.600  -7.303
  618   HG22  VAL1967          HG22      VAL1967  10.562  -6.910  -7.594
  619   HG23  VAL1967          HG23      VAL1967   8.988  -7.529  -8.093
  620    H    LEU1968           HN       LEU1968   9.640  -5.140  -3.588
  621    HA   LEU1968           HA       LEU1968   9.335  -6.432  -1.028
  622    HB2  LEU1968           HB2      LEU1968  10.373  -4.215  -1.188
  623    HB3  LEU1968           HB1      LEU1968   8.928  -3.576  -1.941
  624    HG   LEU1968           HG       LEU1968   7.686  -3.987   0.163
  625   HD11  LEU1968          HD11      LEU1968  10.392  -4.630   1.309
  626   HD12  LEU1968          HD12      LEU1968   9.106  -5.797   1.005
  627   HD13  LEU1968          HD13      LEU1968   8.867  -4.508   2.184
  628   HD21  LEU1968          HD21      LEU1968  10.160  -2.307   0.424
  629   HD22  LEU1968          HD22      LEU1968   8.704  -2.159   1.413
  630   HD23  LEU1968          HD23      LEU1968   8.642  -1.815  -0.321
  631    H    LYS1969           HN       LYS1969   7.392  -6.864  -0.078
  632    HA   LYS1969           HA       LYS1969   4.989  -6.203  -1.634
  633    HB2  LYS1969           HB2      LYS1969   5.680  -8.976  -0.633
  634    HB3  LYS1969           HB1      LYS1969   4.148  -8.512  -1.349
  635    HG2  LYS1969           HG2      LYS1969   6.806  -8.396  -2.772
  636    HG3  LYS1969           HG1      LYS1969   5.656  -9.725  -2.895
  637    HD2  LYS1969           HD2      LYS1969   4.015  -8.252  -3.876
  638    HD3  LYS1969           HD1      LYS1969   5.073  -6.862  -3.632
  639    HE2  LYS1969           HE2      LYS1969   5.146  -7.595  -5.950
  640    HE3  LYS1969           HE1      LYS1969   6.704  -7.834  -5.172
  641    HZ1  LYS1969           HZ1      LYS1969   6.066  -9.691  -6.578
  642    HZ2  LYS1969           HZ2      LYS1969   4.676  -9.957  -5.674
  643    HZ3  LYS1969           HZ3      LYS1969   6.217 -10.193  -4.978
  644    H    LEU1970           HN       LEU1970   3.214  -5.802  -0.457
  645    HA   LEU1970           HA       LEU1970   3.176  -6.537   2.368
  646    HB2  LEU1970           HB2      LEU1970   4.031  -4.089   1.861
  647    HB3  LEU1970           HB1      LEU1970   2.355  -3.772   1.486
  648    HG   LEU1970           HG       LEU1970   3.404  -4.677   4.177
  649   HD11  LEU1970          HD11      LEU1970   4.149  -2.454   3.648
  650   HD12  LEU1970          HD12      LEU1970   2.913  -2.407   4.903
  651   HD13  LEU1970          HD13      LEU1970   2.503  -1.970   3.245
  652   HD21  LEU1970          HD21      LEU1970   1.079  -5.360   3.828
  653   HD22  LEU1970          HD22      LEU1970   0.655  -3.704   3.399
  654   HD23  LEU1970          HD23      LEU1970   1.198  -4.079   5.034
  655    H    VAL1971           HN       VAL1971   1.097  -7.090   2.945
  656    HA   VAL1971           HA       VAL1971  -0.893  -6.743   0.845
  657    HB   VAL1971           HB       VAL1971  -2.006  -8.836   1.673
  658   HG11  VAL1971          HG11      VAL1971  -0.597  -8.886  -0.301
  659   HG12  VAL1971          HG12      VAL1971  -0.427 -10.388   0.610
  660   HG13  VAL1971          HG13      VAL1971   0.830  -9.152   0.703
  661   HG21  VAL1971          HG21      VAL1971  -0.700 -10.410   3.043
  662   HG22  VAL1971          HG22      VAL1971  -1.042  -8.917   3.923
  663   HG23  VAL1971          HG23      VAL1971   0.558  -9.186   3.232
  664    H    TYR1972           HN       TYR1972  -2.657  -5.723   1.311
  665    HA   TYR1972           HA       TYR1972  -3.250  -5.292   4.129
  666    HB2  TYR1972           HB2      TYR1972  -3.604  -3.308   1.829
  667    HB3  TYR1972           HB1      TYR1972  -4.582  -3.227   3.287
  668    HD1  TYR1972           HD2      TYR1972  -3.179  -3.398   5.495
  669    HD2  TYR1972           HD1      TYR1972  -1.674  -2.053   1.774
  670    HE1  TYR1972           HE2      TYR1972  -1.414  -2.195   6.664
  671    HE2  TYR1972           HE1      TYR1972   0.120  -0.834   2.940
  672    HH   TYR1972           HH       TYR1972   0.854  -1.480   6.106
  673    H    GLU1973           HN       GLU1973  -4.671  -6.729   4.675
  674    HA   GLU1973           HA       GLU1973  -6.974  -6.901   2.943
  675    HB2  GLU1973           HB2      GLU1973  -7.319  -9.260   3.843
  676    HB3  GLU1973           HB1      GLU1973  -6.038  -9.017   2.671
  677    HG2  GLU1973           HG2      GLU1973  -5.323 -10.566   4.366
  678    HG3  GLU1973           HG1      GLU1973  -4.397  -9.081   4.521
  679    H    ASP1974           HN       ASP1974  -8.814  -8.142   4.280
  680    HA   ASP1974           HA       ASP1974 -10.403  -8.067   5.762
  681    HB2  ASP1974           HB2      ASP1974  -8.399  -8.566   7.314
  682    HB3  ASP1974           HB1      ASP1974  -8.462  -6.865   7.748
  683    H    GLY1975           HN       GLY1975 -10.391  -5.973   7.832
  684    HA2  GLY1975           HA2      GLY1975 -11.046  -3.686   8.057
  685    HA3  GLY1975           HA1      GLY1975 -11.019  -3.544   6.289
  686    H    ASP1976           HN       ASP1976 -12.657  -4.387   5.097
  687    HA   ASP1976           HA       ASP1976 -15.017  -5.180   6.579
  688    HB2  ASP1976           HB2      ASP1976 -16.232  -4.715   4.336
  689    HB3  ASP1976           HB1      ASP1976 -15.717  -3.333   5.285
  690    HA   PRO1977           HA       PRO1977 -14.137  -9.197   5.082
  691    HB2  PRO1977           HB2      PRO1977 -16.425 -10.398   5.908
  692    HB3  PRO1977           HB1      PRO1977 -15.103  -9.974   6.999
  693    HG2  PRO1977           HG2      PRO1977 -17.689  -8.579   6.518
  694    HG3  PRO1977           HG1      PRO1977 -16.798  -8.807   8.032
  695    HD2  PRO1977           HD2      PRO1977 -16.791  -6.492   6.577
  696    HD3  PRO1977           HD1      PRO1977 -15.479  -6.984   7.662
  697    H    CYS1978           HN       CYS1978 -14.267  -9.881   3.062
  698    HA   CYS1978           HA       CYS1978 -16.746  -9.534   1.570
  699    HB2  CYS1978           HB2      CYS1978 -13.952 -10.330   0.706
  700    HB3  CYS1978           HB1      CYS1978 -15.341 -10.317  -0.369
  701    HA   PRO1979           HA       PRO1979 -17.769 -13.781   2.554
  702    HB2  PRO1979           HB2      PRO1979 -19.495 -13.642   0.154
  703    HB3  PRO1979           HB1      PRO1979 -19.937 -13.947   1.837
  704    HG2  PRO1979           HG2      PRO1979 -20.539 -11.625   0.684
  705    HG3  PRO1979           HG1      PRO1979 -19.996 -11.695   2.371
  706    HD2  PRO1979           HD2      PRO1979 -18.433 -10.967  -0.085
  707    HD3  PRO1979           HD1      PRO1979 -18.474 -10.156   1.496
  708    H    THR1980           HN       THR1980 -16.143 -12.793  -0.354
  709    HA   THR1980           HA       THR1980 -16.084 -15.217  -1.662
  710    HB   THR1980           HB       THR1980 -14.311 -13.822  -2.767
  711    HG1  THR1980           HG1      THR1980 -13.663 -12.306  -1.450
  712   HG21  THR1980          HG21      THR1980 -16.636 -13.919  -3.596
  713   HG22  THR1980          HG22      THR1980 -15.952 -12.308  -3.815
  714   HG23  THR1980          HG23      THR1980 -17.073 -12.621  -2.488
  715    H    ASP1981           HN       ASP1981 -14.445 -13.523   0.886
  716    HA   ASP1981           HA       ASP1981 -12.204 -15.367   0.751
  717    HB2  ASP1981           HB2      ASP1981 -12.208 -12.429   1.378
  718    HB3  ASP1981           HB1      ASP1981 -10.846 -13.488   1.743
  719    H    LEU1982           HN       LEU1982 -13.548 -16.612   2.040
  720    HA   LEU1982           HA       LEU1982 -13.759 -15.902   4.875
  721    HB2  LEU1982           HB2      LEU1982 -14.594 -18.418   3.444
  722    HB3  LEU1982           HB1      LEU1982 -15.105 -17.868   5.026
  723    HG   LEU1982           HG       LEU1982 -15.784 -16.465   2.458
  724   HD11  LEU1982          HD11      LEU1982 -16.672 -18.706   2.493
  725   HD12  LEU1982          HD12      LEU1982 -17.963 -17.508   2.659
  726   HD13  LEU1982          HD13      LEU1982 -17.404 -18.420   4.072
  727   HD21  LEU1982          HD21      LEU1982 -16.867 -16.257   5.254
  728   HD22  LEU1982          HD22      LEU1982 -17.473 -15.367   3.848
  729   HD23  LEU1982          HD23      LEU1982 -15.835 -15.075   4.450
  730    H    LYS1983           HN       LYS1983 -12.638 -18.388   2.715
  731    HA   LYS1983           HA       LYS1983 -10.919 -19.688   4.721
  732    HB2  LYS1983           HB2      LYS1983 -12.085 -20.534   2.078
  733    HB3  LYS1983           HB1      LYS1983 -11.073 -21.574   3.088
  734    HG2  LYS1983           HG2      LYS1983 -12.762 -21.659   4.762
  735    HG3  LYS1983           HG1      LYS1983 -13.670 -20.359   3.994
  736    HD2  LYS1983           HD2      LYS1983 -14.707 -22.522   3.565
  737    HD3  LYS1983           HD1      LYS1983 -14.117 -21.798   2.070
  738    HE2  LYS1983           HE2      LYS1983 -12.110 -23.233   2.217
  739    HE3  LYS1983           HE1      LYS1983 -12.781 -23.983   3.667
  740    HZ1  LYS1983           HZ1      LYS1983 -13.257 -25.335   1.738
  741    HZ2  LYS1983           HZ2      LYS1983 -13.986 -24.027   0.955
  742    HZ3  LYS1983           HZ3      LYS1983 -14.699 -24.685   2.330
  743    H    MET1984           HN       MET1984 -10.417 -17.220   2.937
  744    HA   MET1984           HA       MET1984  -7.814 -17.697   2.092
  745    HB2  MET1984           HB2      MET1984  -8.324 -16.957  -0.261
  746    HB3  MET1984           HB1      MET1984  -9.003 -18.540   0.081
  747    HG2  MET1984           HG2      MET1984 -11.198 -17.374   0.535
  748    HG3  MET1984           HG1      MET1984 -10.450 -15.910  -0.090
  749    HE1  MET1984           HE1      MET1984  -9.726 -15.562  -2.608
  750    HE2  MET1984           HE2      MET1984  -9.774 -16.832  -3.828
  751    HE3  MET1984           HE3      MET1984  -8.653 -16.956  -2.470
  752    H    LYS1985           HN       LYS1985  -6.982 -15.553   1.977
  753    HA   LYS1985           HA       LYS1985  -8.985 -13.543   2.710
  754    HB2  LYS1985           HB2      LYS1985  -7.669 -14.476   4.685
  755    HB3  LYS1985           HB1      LYS1985  -6.305 -13.566   4.048
  756    HG2  LYS1985           HG2      LYS1985  -7.391 -12.278   5.747
  757    HG3  LYS1985           HG1      LYS1985  -7.663 -11.512   4.178
  758    HD2  LYS1985           HD2      LYS1985  -9.879 -12.518   4.048
  759    HD3  LYS1985           HD1      LYS1985  -9.608 -13.344   5.581
  760    HE2  LYS1985           HE2      LYS1985  -9.812 -10.375   5.120
  761    HE3  LYS1985           HE1      LYS1985 -10.974 -11.402   5.955
  762    HZ1  LYS1985           HZ1      LYS1985  -9.109 -11.888   7.575
  763    HZ2  LYS1985           HZ2      LYS1985  -9.724 -10.324   7.611
  764    HZ3  LYS1985           HZ3      LYS1985  -8.254 -10.631   6.834
  765    H    HIS1986           HN       HIS1986  -8.941 -12.640   0.676
  766    HA   HIS1986           HA       HIS1986  -6.457 -11.252  -0.055
  767    HB2  HIS1986           HB2      HIS1986  -8.938 -11.871  -1.664
  768    HB3  HIS1986           HB1      HIS1986  -7.594 -10.913  -2.244
  769    HD1  HIS1986           HD1      HIS1986  -6.745 -12.339  -4.067
  770    HD2  HIS1986           HD2      HIS1986  -7.343 -14.510  -0.585
  771    HE1  HIS1986           HE1      HIS1986  -5.872 -14.649  -4.552
  772    HE2  HIS1986           HE2      HIS1986  -6.149 -15.910  -2.399
  773    H    LYS1987           HN       LYS1987  -6.681  -9.052  -0.768
  774    HA   LYS1987           HA       LYS1987  -9.044  -7.635  -0.874
  775    HB2  LYS1987           HB2      LYS1987  -9.060  -7.787   1.604
  776    HB3  LYS1987           HB1      LYS1987  -7.479  -7.017   1.650
  777    HG2  LYS1987           HG2      LYS1987  -9.229  -5.423   2.182
  778    HG3  LYS1987           HG1      LYS1987  -8.433  -4.994   0.670
  779    HD2  LYS1987           HD2      LYS1987 -10.756  -4.671   0.313
  780    HD3  LYS1987           HD1      LYS1987 -10.340  -6.166  -0.522
  781    HE2  LYS1987           HE2      LYS1987 -12.388  -6.553   0.618
  782    HE3  LYS1987           HE1      LYS1987 -11.130  -7.398   1.519
  783    HZ1  LYS1987           HZ1      LYS1987 -12.407  -4.806   2.222
  784    HZ2  LYS1987           HZ2      LYS1987 -11.113  -5.430   3.090
  785    HZ3  LYS1987           HZ3      LYS1987 -12.589  -6.238   3.015
  786    H    SER1988           HN       SER1988  -5.574  -7.126  -0.026
  787    HA   SER1988           HA       SER1988  -5.354  -5.731  -2.519
  788    HB2  SER1988           HB2      SER1988  -6.172  -4.027  -0.915
  789    HB3  SER1988           HB1      SER1988  -4.749  -4.354   0.085
  790    HG   SER1988           HG       SER1988  -4.885  -2.580  -1.651
  791    H    TYR1989           HN       TYR1989  -3.364  -5.828  -3.321
  792    HA   TYR1989           HA       TYR1989  -1.215  -6.956  -1.704
  793    HB2  TYR1989           HB2      TYR1989  -2.064  -7.575  -4.537
  794    HB3  TYR1989           HB1      TYR1989  -0.471  -7.966  -3.917
  795    HD1  TYR1989           HD2      TYR1989  -4.084  -8.512  -3.084
  796    HD2  TYR1989           HD1      TYR1989  -0.142 -10.095  -3.052
  797    HE1  TYR1989           HE2      TYR1989  -4.961 -10.653  -2.265
  798    HE2  TYR1989           HE1      TYR1989  -1.010 -12.246  -2.231
  799    HH   TYR1989           HH       TYR1989  -2.901 -13.192  -1.150
  800    H    PHE1990           HN       PHE1990   0.410  -5.576  -1.608
  801    HA   PHE1990           HA       PHE1990   0.618  -3.487  -3.633
  802    HB2  PHE1990           HB2      PHE1990   1.431  -3.621  -0.756
  803    HB3  PHE1990           HB1      PHE1990   2.104  -2.423  -1.847
  804    HD1  PHE1990           HD1      PHE1990  -1.040  -3.657  -0.350
  805    HD2  PHE1990           HD2      PHE1990   0.949  -0.486  -2.353
  806    HE1  PHE1990           HE1      PHE1990  -2.937  -2.169   0.118
  807    HE2  PHE1990           HE2      PHE1990  -0.941   1.001  -1.896
  808    HZ   PHE1990           HZ       PHE1990  -2.890   0.160  -0.655
  809    H    SER1991           HN       SER1991   2.037  -3.921  -5.074
  810    HA   SER1991           HA       SER1991   4.449  -5.399  -4.427
  811    HB2  SER1991           HB2      SER1991   3.396  -4.367  -7.073
  812    HB3  SER1991           HB1      SER1991   4.791  -5.423  -6.858
  813    HG   SER1991           HG       SER1991   2.733  -6.427  -7.433
  814    H    PHE1992           HN       PHE1992   5.887  -4.076  -3.477
  815    HA   PHE1992           HA       PHE1992   6.141  -1.345  -4.419
  816    HB2  PHE1992           HB2      PHE1992   7.379  -2.774  -2.066
  817    HB3  PHE1992           HB1      PHE1992   7.686  -1.097  -2.487
  818    HD1  PHE1992           HD2      PHE1992   5.803   0.519  -2.437
  819    HD2  PHE1992           HD1      PHE1992   5.506  -3.396  -0.831
  820    HE1  PHE1992           HE2      PHE1992   3.864   1.221  -1.124
  821    HE2  PHE1992           HE1      PHE1992   3.563  -2.705   0.495
  822    HZ   PHE1992           HZ       PHE1992   2.735  -0.394   0.353
  823    H    VAL1993           HN       VAL1993   7.306  -1.188  -6.114
  824    HA   VAL1993           HA       VAL1993   9.661  -2.871  -6.363
  825    HB   VAL1993           HB       VAL1993   8.159  -3.520  -8.088
  826   HG11  VAL1993          HG11      VAL1993   7.123  -1.976  -9.668
  827   HG12  VAL1993          HG12      VAL1993   7.785  -0.610  -8.759
  828   HG13  VAL1993          HG13      VAL1993   6.605  -1.689  -8.008
  829   HG21  VAL1993          HG21      VAL1993  10.447  -3.242  -8.872
  830   HG22  VAL1993          HG22      VAL1993  10.086  -1.560  -9.291
  831   HG23  VAL1993          HG23      VAL1993   9.286  -2.874 -10.155
  832    H    CYS1994           HN       CYS1994  11.562  -1.982  -6.582
  833    HA   CYS1994           HA       CYS1994  11.831   0.789  -6.202
  834    HB2  CYS1994           HB2      CYS1994  14.327   0.113  -6.614
  835    HB3  CYS1994           HB1      CYS1994  13.493  -0.343  -5.135
  836    H    LYS1995           HN       LYS1995  11.816   2.225  -7.853
  837    HA   LYS1995           HA       LYS1995  13.073   1.444 -10.335
  838    HB2  LYS1995           HB2      LYS1995  10.580   1.114 -10.511
  839    HB3  LYS1995           HB1      LYS1995  10.395   2.838 -10.214
  840    HG2  LYS1995           HG2      LYS1995  11.605   3.352 -12.229
  841    HG3  LYS1995           HG1      LYS1995  11.917   1.638 -12.510
  842    HD2  LYS1995           HD2      LYS1995   9.452   1.286 -12.601
  843    HD3  LYS1995           HD1      LYS1995   9.256   3.039 -12.511
  844    HE2  LYS1995           HE2      LYS1995   9.138   2.259 -14.822
  845    HE3  LYS1995           HE1      LYS1995  10.546   3.292 -14.569
  846    HZ1  LYS1995           HZ1      LYS1995  11.948   1.372 -14.473
  847    HZ2  LYS1995           HZ2      LYS1995  11.032   1.269 -15.890
  848    HZ3  LYS1995           HZ3      LYS1995  10.636   0.319 -14.559
  849    H    SER1996           HN       SER1996  14.688   2.827 -10.425
  850    HA   SER1996           HA       SER1996  15.002   5.216  -9.060
  851    HB2  SER1996           HB2      SER1996  16.849   3.957 -10.115
  852    HB3  SER1996           HB1      SER1996  16.240   4.378 -11.709
  853    HG   SER1996           HG       SER1996  17.984   5.691 -10.289
  854    H    ASP1997           HN       ASP1997  13.450   4.615 -12.105
  855    HA   ASP1997           HA       ASP1997  13.147   7.188 -13.162
  856    HB2  ASP1997           HB2      ASP1997  12.641   5.326 -14.542
  857    HB3  ASP1997           HB1      ASP1997  11.475   4.694 -13.390
  858    H    ALA1998           HN       ALA1998  11.501   5.655 -10.522
  859    HA   ALA1998           HA       ALA1998   9.664   7.946 -10.314
  860    HB1  ALA1998           HB1      ALA1998   9.174   5.095  -9.521
  861    HB2  ALA1998           HB2      ALA1998   8.505   5.869 -10.963
  862    HB3  ALA1998           HB3      ALA1998   8.035   6.427  -9.347
  863    H    GLY1999           HN       GLY1999  12.351   7.445  -9.236
  864    HA2  GLY1999           HA2      GLY1999  12.337   6.604  -6.564
  865    HA3  GLY1999           HA1      GLY1999  13.552   7.629  -7.306
  866    H    ASP2000           HN       ASP2000  11.553   9.702  -7.960
  867    HA   ASP2000           HA       ASP2000  11.419  10.860  -5.278
  868    HB2  ASP2000           HB2      ASP2000  12.601  12.239  -6.865
  869    HB3  ASP2000           HB1      ASP2000  11.257  12.160  -8.000
  870    H    ASP2001           HN       ASP2001   9.536  10.213  -8.138
  871    HA   ASP2001           HA       ASP2001   7.138  11.439  -7.392
  872    HB2  ASP2001           HB2      ASP2001   7.556   9.015  -9.138
  873    HB3  ASP2001           HB1      ASP2001   6.005   9.802  -8.927
  874    H    SER2002           HN       SER2002   8.129   8.064  -6.956
  875    HA   SER2002           HA       SER2002   7.291   6.367  -5.755
  876    HB2  SER2002           HB2      SER2002   8.069   7.938  -3.899
  877    HB3  SER2002           HB1      SER2002   6.410   8.519  -3.788
  878    HG   SER2002           HG       SER2002   6.770   6.933  -2.248
  879    H    GLN2003           HN       GLN2003   5.787   6.117  -7.480
  880    HA   GLN2003           HA       GLN2003   3.128   7.169  -6.898
  881    HB2  GLN2003           HB2      GLN2003   2.612   6.921  -9.298
  882    HB3  GLN2003           HB1      GLN2003   3.933   8.032  -8.980
  883    HG2  GLN2003           HG2      GLN2003   5.541   6.352  -9.665
  884    HG3  GLN2003           HG1      GLN2003   4.244   5.181  -9.898
  885   HE21  GLN2003          HE21      GLN2003   2.844   5.437 -11.649
  886   HE22  GLN2003          HE22      GLN2003   3.254   6.400 -13.003
  887    HA   PRO2004           HA       PRO2004   1.784   2.964  -6.467
  888    HB2  PRO2004           HB2      PRO2004  -0.677   3.624  -5.494
  889    HB3  PRO2004           HB1      PRO2004   0.772   3.589  -4.491
  890    HG2  PRO2004           HG2      PRO2004  -0.721   5.889  -5.573
  891    HG3  PRO2004           HG1      PRO2004   0.260   5.819  -4.112
  892    HD2  PRO2004           HD2      PRO2004   0.984   6.923  -6.588
  893    HD3  PRO2004           HD1      PRO2004   2.074   6.581  -5.233
  894    H    VAL2005           HN       VAL2005   1.430   2.209  -8.488
  895    HA   VAL2005           HA       VAL2005  -0.604   3.424 -10.188
  896    HB   VAL2005           HB       VAL2005   1.326   1.153 -10.763
  897   HG11  VAL2005          HG11      VAL2005  -0.388   2.771 -12.641
  898   HG12  VAL2005          HG12      VAL2005  -0.627   1.081 -12.200
  899   HG13  VAL2005          HG13      VAL2005   0.798   1.557 -13.121
  900   HG21  VAL2005          HG21      VAL2005   2.550   3.217 -10.343
  901   HG22  VAL2005          HG22      VAL2005   1.542   4.069 -11.514
  902   HG23  VAL2005          HG23      VAL2005   2.627   2.787 -12.053
  903    H    PHE2006           HN       PHE2006  -2.611   2.612 -10.052
  904    HA   PHE2006           HA       PHE2006  -2.986   0.063  -8.822
  905    HB2  PHE2006           HB2      PHE2006  -5.378   0.349  -9.095
  906    HB3  PHE2006           HB1      PHE2006  -4.719   1.886  -8.580
  907    HD1  PHE2006           HD2      PHE2006  -4.384   3.673 -10.377
  908    HD2  PHE2006           HD1      PHE2006  -6.723   0.176 -10.988
  909    HE1  PHE2006           HE2      PHE2006  -5.514   4.767 -12.264
  910    HE2  PHE2006           HE1      PHE2006  -7.852   1.262 -12.878
  911    HZ   PHE2006           HZ       PHE2006  -7.360   3.526 -13.471
  912    H    LEU2007           HN       LEU2007  -2.815  -1.790  -9.707
  913    HA   LEU2007           HA       LEU2007  -2.240  -2.044 -12.504
  914    HB2  LEU2007           HB2      LEU2007  -1.407  -3.382 -10.387
  915    HB3  LEU2007           HB1      LEU2007  -2.864  -4.288 -10.640
  916    HG   LEU2007           HG       LEU2007  -2.133  -4.865 -12.931
  917   HD11  LEU2007          HD11      LEU2007   0.214  -4.492 -13.544
  918   HD12  LEU2007          HD12      LEU2007   0.433  -3.559 -12.060
  919   HD13  LEU2007          HD13      LEU2007  -0.657  -2.971 -13.309
  920   HD21  LEU2007          HD21      LEU2007  -0.227  -5.628 -10.716
  921   HD22  LEU2007          HD22      LEU2007  -0.447  -6.500 -12.233
  922   HD23  LEU2007          HD23      LEU2007  -1.773  -6.402 -11.071
  923    H    SER2008           HN       SER2008  -4.574  -3.360 -10.251
  924    HA   SER2008           HA       SER2008  -6.801  -2.715 -11.855
  925    HB2  SER2008           HB2      SER2008  -7.566  -5.039 -12.239
  926    HB3  SER2008           HB1      SER2008  -6.083  -4.683 -13.119
  927    HG   SER2008           HG       SER2008  -6.605  -6.511 -11.200
  928    H    PHE2009           HN       PHE2009  -8.734  -3.130 -10.727
  929    HA   PHE2009           HA       PHE2009  -8.395  -4.002  -7.942
  930    HB2  PHE2009           HB2      PHE2009  -9.161  -1.566  -8.437
  931    HB3  PHE2009           HB1      PHE2009 -10.625  -2.284  -9.086
  932    HD1  PHE2009           HD2      PHE2009 -11.903  -3.910  -7.409
  933    HD2  PHE2009           HD1      PHE2009  -9.088  -0.936  -6.251
  934    HE1  PHE2009           HE2      PHE2009 -12.850  -3.891  -5.128
  935    HE2  PHE2009           HE1      PHE2009 -10.036  -0.917  -3.988
  936    HZ   PHE2009           HZ       PHE2009 -11.921  -2.392  -3.430
  937    H    ASP2010           HN       ASP2010  -9.225  -6.034  -7.809
  938    HA   ASP2010           HA       ASP2010 -11.409  -6.683  -9.638
  939    HB2  ASP2010           HB2      ASP2010  -9.021  -8.351  -8.866
  940    HB3  ASP2010           HB1      ASP2010 -10.501  -9.102  -9.443
  941    H    GLU2011           HN       GLU2011 -13.092  -6.423  -8.365
  942    HA   GLU2011           HA       GLU2011 -12.931  -7.283  -5.639
  943    HB2  GLU2011           HB2      GLU2011 -15.186  -6.348  -5.333
  944    HB3  GLU2011           HB1      GLU2011 -14.039  -5.202  -5.988
  945    HG2  GLU2011           HG2      GLU2011 -15.016  -5.473  -8.199
  946    HG3  GLU2011           HG1      GLU2011 -16.155  -6.654  -7.549
  947    H    GLN2012           HN       GLN2012 -13.421  -9.040  -8.269
  948    HA   GLN2012           HA       GLN2012 -15.538 -10.762  -7.698
  949    HB2  GLN2012           HB2      GLN2012 -14.238 -10.914  -9.759
  950    HB3  GLN2012           HB1      GLN2012 -12.817 -11.411  -8.852
  951    HG2  GLN2012           HG2      GLN2012 -13.912 -13.484  -8.234
  952    HG3  GLN2012           HG1      GLN2012 -15.377 -12.976  -9.075
  953   HE21  GLN2012          HE21      GLN2012 -15.391 -12.935 -11.262
  954   HE22  GLN2012          HE22      GLN2012 -14.233 -13.752 -12.249
  955    H    THR2013           HN       THR2013 -12.235 -10.763  -6.473
  956    HA   THR2013           HA       THR2013 -13.234 -12.154  -4.115
  957    HB   THR2013           HB       THR2013 -11.920 -13.773  -5.487
  958    HG1  THR2013           HG1      THR2013 -11.142 -13.084  -2.880
  959   HG21  THR2013          HG21      THR2013 -10.360 -12.245  -6.590
  960   HG22  THR2013          HG22      THR2013  -9.483 -13.520  -5.745
  961   HG23  THR2013          HG23      THR2013  -9.585 -11.906  -5.043
  962    H    CYS2014           HN       CYS2014 -13.006  -9.452  -4.808
  963    HA   CYS2014           HA       CYS2014 -12.419  -7.419  -4.023
  964    HB2  CYS2014           HB2      CYS2014 -12.097  -9.094  -1.548
  965    HB3  CYS2014           HB1      CYS2014 -12.033  -7.335  -1.537
  966    H    THR2015           HN       THR2015 -10.159  -8.738  -5.295
  967    HA   THR2015           HA       THR2015  -7.930  -8.027  -3.539
  968    HB   THR2015           HB       THR2015  -7.874  -9.510  -6.177
  969    HG1  THR2015           HG1      THR2015  -8.911 -10.404  -4.046
  970   HG21  THR2015          HG21      THR2015  -5.639 -10.164  -5.443
  971   HG22  THR2015          HG22      THR2015  -5.827  -9.195  -3.978
  972   HG23  THR2015          HG23      THR2015  -5.768  -8.410  -5.557
  973    H    SER2016           HN       SER2016  -7.159  -6.110  -3.710
  974    HA   SER2016           HA       SER2016  -7.298  -4.620  -6.198
  975    HB2  SER2016           HB2      SER2016  -6.291  -3.763  -3.489
  976    HB3  SER2016           HB1      SER2016  -6.871  -2.740  -4.805
  977    HG   SER2016           HG       SER2016  -8.326  -4.437  -3.097
  978    H    TYR2017           HN       TYR2017  -5.451  -4.508  -7.453
  979    HA   TYR2017           HA       TYR2017  -2.922  -5.422  -6.252
  980    HB2  TYR2017           HB2      TYR2017  -3.791  -5.333  -9.153
  981    HB3  TYR2017           HB1      TYR2017  -2.187  -5.797  -8.608
  982    HD1  TYR2017           HD2      TYR2017  -1.889  -7.904  -7.345
  983    HD2  TYR2017           HD1      TYR2017  -5.619  -6.853  -9.091
  984    HE1  TYR2017           HE2      TYR2017  -2.624 -10.241  -7.158
  985    HE2  TYR2017           HE1      TYR2017  -6.368  -9.187  -8.910
  986    HH   TYR2017           HH       TYR2017  -4.684 -11.497  -7.036
  987    H    PHE2018           HN       PHE2018  -1.510  -3.826  -5.810
  988    HA   PHE2018           HA       PHE2018  -1.581  -1.479  -7.564
  989    HB2  PHE2018           HB2      PHE2018  -1.086  -1.455  -4.575
  990    HB3  PHE2018           HB1      PHE2018  -1.007  -0.053  -5.636
  991    HD1  PHE2018           HD2      PHE2018  -3.289   0.116  -7.152
  992    HD2  PHE2018           HD1      PHE2018  -2.954  -1.582  -3.274
  993    HE1  PHE2018           HE2      PHE2018  -5.691   0.490  -6.790
  994    HE2  PHE2018           HE1      PHE2018  -5.352  -1.205  -2.899
  995    HZ   PHE2018           HZ       PHE2018  -6.725  -0.162  -4.652
  996    H    SER2019           HN       SER2019   0.284  -0.929  -8.437
  997    HA   SER2019           HA       SER2019   2.702  -2.288  -7.496
  998    HB2  SER2019           HB2      SER2019   1.984  -2.787  -9.850
  999    HB3  SER2019           HB1      SER2019   2.111  -1.071 -10.221
 1000    HG   SER2019           HG       SER2019   4.031  -2.988 -10.016
 1001    H    TRP2020           HN       TRP2020   3.872  -0.970  -6.305
 1002    HA   TRP2020           HA       TRP2020   3.529   1.915  -6.648
 1003    HB2  TRP2020           HB2      TRP2020   3.224   0.594  -4.401
 1004    HB3  TRP2020           HB1      TRP2020   4.986   0.658  -4.357
 1005    HD1  TRP2020           HD1      TRP2020   5.784   3.511  -4.911
 1006    HE1  TRP2020           HE1      TRP2020   4.912   5.514  -3.583
 1007    HE3  TRP2020           HE3      TRP2020   1.583   1.376  -2.950
 1008    HZ2  TRP2020           HZ2      TRP2020   2.713   6.105  -1.903
 1009    HZ3  TRP2020           HZ3      TRP2020   0.155   2.729  -1.479
 1010    HH2  TRP2020           HH2      TRP2020   0.715   5.042  -0.965
 1011    H    HIS2021           HN       HIS2021   4.957   2.659  -7.993
 1012    HA   HIS2021           HA       HIS2021   7.609   1.480  -8.281
 1013    HB2  HIS2021           HB2      HIS2021   6.350   3.874  -9.675
 1014    HB3  HIS2021           HB1      HIS2021   7.932   3.220 -10.042
 1015    HD1  HIS2021           HD1      HIS2021   6.814   3.133 -12.515
 1016    HD2  HIS2021           HD2      HIS2021   5.329   0.412  -9.728
 1017    HE1  HIS2021           HE1      HIS2021   5.578   1.403 -13.833
 1018    HE2  HIS2021           HE2      HIS2021   4.417   0.014 -12.112
 1019    H    THR2022           HN       THR2022   8.702   1.979  -6.399
 1020    HA   THR2022           HA       THR2022   9.374   4.767  -6.133
 1021    HB   THR2022           HB       THR2022   7.478   4.614  -4.637
 1022    HG1  THR2022           HG1      THR2022   8.413   5.688  -3.217
 1023   HG21  THR2022          HG21      THR2022   7.483   3.149  -2.676
 1024   HG22  THR2022          HG22      THR2022   8.983   2.407  -3.240
 1025   HG23  THR2022          HG23      THR2022   7.500   2.219  -4.176
 1026    H    SER2023           HN       SER2023  11.427   5.119  -5.489
 1027    HA   SER2023           HA       SER2023  13.112   2.832  -4.956
 1028    HB2  SER2023           HB2      SER2023  13.817   5.780  -5.035
 1029    HB3  SER2023           HB1      SER2023  14.968   4.441  -4.953
 1030    HG   SER2023           HG       SER2023  14.759   4.182  -7.008
 1031    H    LEU2024           HN       LEU2024  11.039   4.385  -3.034
 1032    HA   LEU2024           HA       LEU2024  12.687   4.506  -0.651
 1033    HB2  LEU2024           HB2      LEU2024  10.725   6.078  -1.181
 1034    HB3  LEU2024           HB1      LEU2024   9.677   4.697  -0.972
 1035    HG   LEU2024           HG       LEU2024   9.820   6.412   0.918
 1036   HD11  LEU2024          HD11      LEU2024   9.547   4.722   2.638
 1037   HD12  LEU2024          HD12      LEU2024  10.237   3.513   1.544
 1038   HD13  LEU2024          HD13      LEU2024   8.708   4.288   1.143
 1039   HD21  LEU2024          HD21      LEU2024  12.234   6.625   1.015
 1040   HD22  LEU2024          HD22      LEU2024  12.384   4.922   1.439
 1041   HD23  LEU2024          HD23      LEU2024  11.600   6.042   2.555
 1042    H    ALA2025           HN       ALA2025  10.864   2.339  -2.447
 1043    HA   ALA2025           HA       ALA2025  10.076   0.454  -0.414
 1044    HB1  ALA2025           HB1      ALA2025  10.191   0.237  -3.406
 1045    HB2  ALA2025           HB2      ALA2025   8.798   0.755  -2.452
 1046    HB3  ALA2025           HB3      ALA2025   9.395  -0.903  -2.316
 1047    H    CYS2026           HN       CYS2026  12.517   0.686  -2.876
 1048    HA   CYS2026           HA       CYS2026  14.047  -1.452  -1.748
 1049    HB2  CYS2026           HB2      CYS2026  12.654  -2.803  -3.078
 1050    HB3  CYS2026           HB1      CYS2026  12.464  -1.575  -4.311
 1051    H    GLU2027           HN       GLU2027  16.067  -1.580  -3.504
 1052    HA   GLU2027           HA       GLU2027  16.891   1.190  -3.488
 1053    HB2  GLU2027           HB2      GLU2027  18.356  -1.420  -3.552
 1054    HB3  GLU2027           HB1      GLU2027  19.198   0.122  -3.775
 1055    HG2  GLU2027           HG2      GLU2027  17.592  -0.729  -1.359
 1056    HG3  GLU2027           HG1      GLU2027  19.345  -0.779  -1.486
 1057    H    GLU2028           HN       GLU2028  17.459  -1.633  -5.587
 1058    HA   GLU2028           HA       GLU2028  17.834  -1.910  -7.774
 1059    HB2  GLU2028           HB2      GLU2028  15.586  -0.988  -8.209
 1060    HB3  GLU2028           HB1      GLU2028  16.224   0.652  -8.151
 1061    HG2  GLU2028           HG2      GLU2028  17.684   0.085 -10.071
 1062    HG3  GLU2028           HG1      GLU2028  16.868  -1.473 -10.149
 1063    H    GLU2029           HN       GLU2029  17.910   1.586  -7.666
 1064    HA   GLU2029           HA       GLU2029  20.736   1.726  -7.792
 1065    HB2  GLU2029           HB2      GLU2029  20.024   1.304 -10.183
 1066    HB3  GLU2029           HB1      GLU2029  19.099   2.798 -10.098
 1067    HG2  GLU2029           HG2      GLU2029  21.132   4.053  -9.684
 1068    HG3  GLU2029           HG1      GLU2029  22.069   2.559  -9.725
 1069    H    VAL2030           HN       VAL2030  21.042   3.281  -6.433
 1070    HA   VAL2030           HA       VAL2030  18.901   5.174  -5.841
 1071    HB   VAL2030           HB       VAL2030  21.589   4.781  -4.483
 1072   HG11  VAL2030          HG11      VAL2030  20.598   6.016  -2.617
 1073   HG12  VAL2030          HG12      VAL2030  19.139   6.279  -3.568
 1074   HG13  VAL2030          HG13      VAL2030  20.671   6.994  -4.083
 1075   HG21  VAL2030          HG21      VAL2030  20.227   2.778  -4.307
 1076   HG22  VAL2030          HG22      VAL2030  18.869   3.734  -3.715
 1077   HG23  VAL2030          HG23      VAL2030  20.336   3.591  -2.745
 1078    HA   PRO2031           HA       PRO2031  20.842   8.028  -8.708
 1079    HB2  PRO2031           HB2      PRO2031  18.798   9.829  -7.543
 1080    HB3  PRO2031           HB1      PRO2031  19.111   9.430  -9.232
 1081    HG2  PRO2031           HG2      PRO2031  16.978   8.469  -7.930
 1082    HG3  PRO2031           HG1      PRO2031  17.832   7.522  -9.159
 1083    HD2  PRO2031           HD2      PRO2031  17.908   7.255  -6.184
 1084    HD3  PRO2031           HD1      PRO2031  18.007   6.017  -7.444
 1085    H    ARG2032           HN       ARG2032  19.695   9.213  -5.519
 1086    HA   ARG2032           HA       ARG2032  22.352  10.347  -5.073
 1087    HB2  ARG2032           HB2      ARG2032  19.788  11.793  -4.278
 1088    HB3  ARG2032           HB1      ARG2032  21.422  12.344  -3.975
 1089    HG2  ARG2032           HG2      ARG2032  20.731  13.670  -5.735
 1090    HG3  ARG2032           HG1      ARG2032  21.624  12.388  -6.561
 1091    HD2  ARG2032           HD2      ARG2032  19.420  11.197  -6.808
 1092    HD3  ARG2032           HD1      ARG2032  18.652  12.679  -6.263
 1093    HE   ARG2032           HE       ARG2032  20.380  13.235  -8.398
 1094   HH11  ARG2032          HH11      ARG2032  17.233  11.731  -7.665
 1095   HH12  ARG2032          HH12      ARG2032  16.606  11.899  -9.235
 1096   HH21  ARG2032          HH21      ARG2032  19.513  13.411 -10.650
 1097   HH22  ARG2032          HH22      ARG2032  17.975  12.787 -10.990
  Start of MODEL   13
    1    H1   MET1885           HT1      MET1885  17.579   8.020   2.151
    2    H2   MET1885           HT2      MET1885  16.189   7.066   2.193
    3    H3   MET1885           HT3      MET1885  17.188   7.107   3.514
    4    HA   MET1885           HA       MET1885  16.727   9.391   3.933
    5    HB2  MET1885           HB2      MET1885  14.922  10.567   2.707
    6    HB3  MET1885           HB1      MET1885  16.274  10.181   1.661
    7    HG2  MET1885           HG2      MET1885  13.794   8.491   1.795
    8    HG3  MET1885           HG1      MET1885  13.942   9.879   0.721
    9    HE1  MET1885           HE1      MET1885  16.728   8.812  -1.750
   10    HE2  MET1885           HE2      MET1885  16.855   9.837  -0.320
   11    HE3  MET1885           HE3      MET1885  15.459   9.983  -1.385
   12    H    LYS1886           HN       LYS1886  14.654  10.159   4.943
   13    HA   LYS1886           HA       LYS1886  12.770   8.023   5.617
   14    HB2  LYS1886           HB2      LYS1886  14.557   7.742   7.235
   15    HB3  LYS1886           HB1      LYS1886  14.553   9.459   7.594
   16    HG2  LYS1886           HG2      LYS1886  12.254   9.204   8.509
   17    HG3  LYS1886           HG1      LYS1886  12.390   7.465   8.249
   18    HD2  LYS1886           HD2      LYS1886  12.917   8.050  10.560
   19    HD3  LYS1886           HD1      LYS1886  14.336   7.394   9.736
   20    HE2  LYS1886           HE2      LYS1886  15.149   9.681   9.342
   21    HE3  LYS1886           HE1      LYS1886  13.741  10.318  10.187
   22    HZ1  LYS1886           HZ1      LYS1886  14.481   9.213  12.183
   23    HZ2  LYS1886           HZ2      LYS1886  15.680  10.250  11.610
   24    HZ3  LYS1886           HZ3      LYS1886  15.824   8.578  11.366
   25    H    SER1887           HN       SER1887  10.736   8.923   5.954
   26    HA   SER1887           HA       SER1887  10.677  11.805   6.232
   27    HB2  SER1887           HB2      SER1887   8.472   9.940   5.336
   28    HB3  SER1887           HB1      SER1887   8.369  11.702   5.392
   29    HG   SER1887           HG       SER1887   9.443  11.823   3.597
   30    H    ASN1888           HN       ASN1888   9.346   8.790   7.538
   31    HA   ASN1888           HA       ASN1888   9.420   9.816  10.163
   32    HB2  ASN1888           HB2      ASN1888   7.136  10.647   9.362
   33    HB3  ASN1888           HB1      ASN1888   6.689   8.975   9.057
   34   HD21  ASN1888          HD21      ASN1888   4.874   9.576  10.626
   35   HD22  ASN1888          HD22      ASN1888   5.267   9.432  12.293
   36    H    VAL1889           HN       VAL1889   8.079   7.597  11.437
   37    HA   VAL1889           HA       VAL1889   9.200   5.253  10.180
   38    HB   VAL1889           HB       VAL1889  11.113   6.404  11.372
   39   HG11  VAL1889          HG11      VAL1889   9.522   5.873  13.853
   40   HG12  VAL1889          HG12      VAL1889   9.972   7.443  13.183
   41   HG13  VAL1889          HG13      VAL1889  11.218   6.362  13.811
   42   HG21  VAL1889          HG21      VAL1889  11.926   4.404  12.575
   43   HG22  VAL1889          HG22      VAL1889  11.218   4.005  11.007
   44   HG23  VAL1889          HG23      VAL1889  10.304   3.717  12.487
   45    H    GLN1890           HN       GLN1890   8.603   3.408  11.301
   46    HA   GLN1890           HA       GLN1890   6.280   3.744  13.060
   47    HB2  GLN1890           HB2      GLN1890   6.659   1.887  10.729
   48    HB3  GLN1890           HB1      GLN1890   5.411   1.658  11.944
   49    HG2  GLN1890           HG2      GLN1890   5.687   4.138  10.243
   50    HG3  GLN1890           HG1      GLN1890   4.638   2.795   9.897
   51   HE21  GLN1890          HE21      GLN1890   2.784   2.508  11.118
   52   HE22  GLN1890          HE22      GLN1890   2.199   3.736  12.188
   53    H    ASN1891           HN       ASN1891   5.815   1.247  13.812
   54    HA   ASN1891           HA       ASN1891   7.778   0.406  15.596
   55    HB2  ASN1891           HB2      ASN1891   5.472  -0.331  15.795
   56    HB3  ASN1891           HB1      ASN1891   5.568  -1.174  14.256
   57   HD21  ASN1891          HD21      ASN1891   6.513  -3.209  14.173
   58   HD22  ASN1891          HD22      ASN1891   6.975  -4.075  15.572
   59    H    ASP1892           HN       ASP1892   7.021  -0.767  12.396
   60    HA   ASP1892           HA       ASP1892   9.734  -1.720  12.242
   61    HB2  ASP1892           HB2      ASP1892   8.915  -3.637  10.738
   62    HB3  ASP1892           HB1      ASP1892   8.627  -3.794  12.461
   63    H    CYS1893           HN       CYS1893   7.386  -1.988   9.642
   64    HA   CYS1893           HA       CYS1893   7.246  -1.046   7.609
   65    HB2  CYS1893           HB2      CYS1893   6.916   1.053   8.993
   66    HB3  CYS1893           HB1      CYS1893   8.625   1.395   8.753
   67    H    ARG1894           HN       ARG1894   9.758  -2.330   8.676
   68    HA   ARG1894           HA       ARG1894  11.260  -2.011   6.269
   69    HB2  ARG1894           HB2      ARG1894  13.417  -1.749   7.459
   70    HB3  ARG1894           HB1      ARG1894  12.367  -0.363   7.645
   71    HG2  ARG1894           HG2      ARG1894  11.797  -1.041   9.894
   72    HG3  ARG1894           HG1      ARG1894  12.746  -2.517   9.717
   73    HD2  ARG1894           HD2      ARG1894  13.942  -0.762  10.972
   74    HD3  ARG1894           HD1      ARG1894  14.776  -1.219   9.486
   75    HE   ARG1894           HE       ARG1894  13.402   0.867   8.620
   76   HH11  ARG1894          HH11      ARG1894  15.184   0.627  11.677
   77   HH12  ARG1894          HH12      ARG1894  15.625   2.275  11.686
   78   HH21  ARG1894          HH21      ARG1894  13.968   2.964   8.614
   79   HH22  ARG1894          HH22      ARG1894  14.942   3.676   9.844
   80    H    VAL1895           HN       VAL1895  11.722  -3.911   5.579
   81    HA   VAL1895           HA       VAL1895  12.009  -6.031   7.558
   82    HB   VAL1895           HB       VAL1895   9.855  -6.330   6.366
   83   HG11  VAL1895          HG11      VAL1895  10.329  -5.309   4.265
   84   HG12  VAL1895          HG12      VAL1895   9.801  -6.972   4.007
   85   HG13  VAL1895          HG13      VAL1895  11.513  -6.561   3.878
   86   HG21  VAL1895          HG21      VAL1895  10.152  -8.670   5.675
   87   HG22  VAL1895          HG22      VAL1895  10.989  -8.313   7.186
   88   HG23  VAL1895          HG23      VAL1895  11.899  -8.439   5.680
   89    H    THR1896           HN       THR1896  13.739  -7.170   7.456
   90    HA   THR1896           HA       THR1896  15.675  -6.546   5.378
   91    HB   THR1896           HB       THR1896  16.034  -8.259   7.861
   92    HG1  THR1896           HG1      THR1896  15.347  -6.033   8.324
   93   HG21  THR1896          HG21      THR1896  18.405  -7.683   7.570
   94   HG22  THR1896          HG22      THR1896  18.001  -6.738   6.136
   95   HG23  THR1896          HG23      THR1896  17.768  -8.486   6.136
   96    H    ASN1897           HN       ASN1897  15.752  -7.932   3.682
   97    HA   ASN1897           HA       ASN1897  14.545 -10.574   4.042
   98    HB2  ASN1897           HB2      ASN1897  13.855  -9.320   2.018
   99    HB3  ASN1897           HB1      ASN1897  15.532  -9.262   1.484
  100   HD21  ASN1897          HD21      ASN1897  15.055 -10.409  -0.446
  101   HD22  ASN1897          HD22      ASN1897  14.658 -12.064  -0.454
  102    HA   PRO1898           HA       PRO1898  18.673 -12.014   4.927
  103    HB2  PRO1898           HB2      PRO1898  17.950 -14.695   4.897
  104    HB3  PRO1898           HB1      PRO1898  17.856 -13.629   6.303
  105    HG2  PRO1898           HG2      PRO1898  15.711 -14.449   4.395
  106    HG3  PRO1898           HG1      PRO1898  15.634 -14.237   6.152
  107    HD2  PRO1898           HD2      PRO1898  14.649 -12.403   4.478
  108    HD3  PRO1898           HD1      PRO1898  15.454 -11.935   5.990
  109    H    ALA1899           HN       ALA1899  16.649 -13.242   2.350
  110    HA   ALA1899           HA       ALA1899  18.687 -14.660   0.986
  111    HB1  ALA1899           HB1      ALA1899  16.312 -15.117   0.648
  112    HB2  ALA1899           HB2      ALA1899  17.131 -14.756  -0.873
  113    HB3  ALA1899           HB3      ALA1899  16.117 -13.533  -0.104
  114    H    THR1900           HN       THR1900  17.306 -11.430   0.501
  115    HA   THR1900           HA       THR1900  19.141 -10.816  -1.609
  116    HB   THR1900           HB       THR1900  17.381  -8.874  -0.049
  117    HG1  THR1900           HG1      THR1900  16.752 -10.217  -2.471
  118   HG21  THR1900          HG21      THR1900  17.492  -7.580  -2.112
  119   HG22  THR1900          HG22      THR1900  18.513  -8.814  -2.849
  120   HG23  THR1900          HG23      THR1900  19.115  -7.867  -1.486
  121    H    GLY1901           HN       GLY1901  18.861 -10.039   1.852
  122    HA2  GLY1901           HA2      GLY1901  20.700  -9.619   3.248
  123    HA3  GLY1901           HA1      GLY1901  21.639  -9.122   1.842
  124    H    HIS1902           HN       HIS1902  19.139  -7.692   1.000
  125    HA   HIS1902           HA       HIS1902  19.903  -5.142   2.159
  126    HB2  HIS1902           HB2      HIS1902  18.178  -5.845  -0.197
  127    HB3  HIS1902           HB1      HIS1902  18.274  -4.211   0.435
  128    HD1  HIS1902           HD1      HIS1902  19.845  -2.820  -0.812
  129    HD2  HIS1902           HD2      HIS1902  20.978  -6.819  -0.904
  130    HE1  HIS1902           HE1      HIS1902  21.849  -2.923  -2.309
  131    HE2  HIS1902           HE2      HIS1902  22.184  -5.364  -2.674
  132    H    LEU1903           HN       LEU1903  18.303  -3.564   2.656
  133    HA   LEU1903           HA       LEU1903  16.112  -4.677   4.260
  134    HB2  LEU1903           HB2      LEU1903  17.844  -3.553   5.539
  135    HB3  LEU1903           HB1      LEU1903  17.732  -2.142   4.509
  136    HG   LEU1903           HG       LEU1903  15.381  -1.830   5.344
  137   HD11  LEU1903          HD11      LEU1903  14.774  -2.927   7.444
  138   HD12  LEU1903          HD12      LEU1903  16.204  -3.950   7.296
  139   HD13  LEU1903          HD13      LEU1903  14.918  -4.058   6.097
  140   HD21  LEU1903          HD21      LEU1903  17.228  -0.510   6.210
  141   HD22  LEU1903          HD22      LEU1903  17.582  -1.769   7.396
  142   HD23  LEU1903          HD23      LEU1903  16.063  -0.874   7.484
  143    H    PHE1904           HN       PHE1904  14.113  -4.139   3.611
  144    HA   PHE1904           HA       PHE1904  13.724  -1.956   1.689
  145    HB2  PHE1904           HB2      PHE1904  11.703  -3.860   2.914
  146    HB3  PHE1904           HB1      PHE1904  11.427  -2.714   1.617
  147    HD1  PHE1904           HD2      PHE1904  12.887  -5.944   2.522
  148    HD2  PHE1904           HD1      PHE1904  12.066  -3.223  -0.641
  149    HE1  PHE1904           HE2      PHE1904  13.311  -7.727   0.887
  150    HE2  PHE1904           HE1      PHE1904  12.481  -5.000  -2.280
  151    HZ   PHE1904           HZ       PHE1904  13.109  -7.253  -1.522
  152    H    ASP1905           HN       ASP1905  13.345   0.013   2.610
  153    HA   ASP1905           HA       ASP1905  12.103   0.061   5.282
  154    HB2  ASP1905           HB2      ASP1905  14.522   0.366   5.575
  155    HB3  ASP1905           HB1      ASP1905  14.521   1.659   4.389
  156    H    LEU1906           HN       LEU1906  10.205   1.041   5.002
  157    HA   LEU1906           HA       LEU1906   9.946   3.003   2.834
  158    HB2  LEU1906           HB2      LEU1906   7.829   1.503   4.356
  159    HB3  LEU1906           HB1      LEU1906   7.517   2.656   3.081
  160    HG   LEU1906           HG       LEU1906   8.855  -0.027   2.808
  161   HD11  LEU1906          HD11      LEU1906   6.448  -0.105   3.077
  162   HD12  LEU1906          HD12      LEU1906   6.912  -0.523   1.425
  163   HD13  LEU1906          HD13      LEU1906   6.255   1.074   1.777
  164   HD21  LEU1906          HD21      LEU1906   8.323   2.070   0.696
  165   HD22  LEU1906          HD22      LEU1906   8.920   0.437   0.402
  166   HD23  LEU1906          HD23      LEU1906   9.911   1.589   1.296
  167    H    THR1907           HN       THR1907  11.168   3.879   5.169
  168    HA   THR1907           HA       THR1907   9.465   5.125   6.993
  169    HB   THR1907           HB       THR1907  11.593   6.591   7.274
  170    HG1  THR1907           HG1      THR1907  13.056   4.551   6.134
  171   HG21  THR1907          HG21      THR1907  11.621   3.593   7.716
  172   HG22  THR1907          HG22      THR1907  10.900   4.784   8.794
  173   HG23  THR1907          HG23      THR1907  12.647   4.763   8.546
  174    H    SER1908           HN       SER1908  10.713   6.206   3.898
  175    HA   SER1908           HA       SER1908   9.521   8.797   4.173
  176    HB2  SER1908           HB2      SER1908  10.846   7.461   1.822
  177    HB3  SER1908           HB1      SER1908  10.272   9.130   1.838
  178    HG   SER1908           HG       SER1908  11.627   9.565   3.489
  179    H    LEU1909           HN       LEU1909   8.182   5.778   3.531
  180    HA   LEU1909           HA       LEU1909   6.385   6.776   1.573
  181    HB2  LEU1909           HB2      LEU1909   7.309   4.222   2.559
  182    HB3  LEU1909           HB1      LEU1909   5.603   4.279   2.235
  183    HG   LEU1909           HG       LEU1909   6.776   3.404   0.293
  184   HD11  LEU1909          HD11      LEU1909   4.902   4.843  -0.229
  185   HD12  LEU1909          HD12      LEU1909   6.165   4.989  -1.452
  186   HD13  LEU1909          HD13      LEU1909   5.967   6.249  -0.234
  187   HD21  LEU1909          HD21      LEU1909   8.972   4.285   0.786
  188   HD22  LEU1909          HD22      LEU1909   8.425   5.916   0.384
  189   HD23  LEU1909          HD23      LEU1909   8.499   4.674  -0.868
  190    H    LYS1910           HN       LYS1910   6.387   5.563   4.964
  191    HA   LYS1910           HA       LYS1910   3.578   5.791   5.118
  192    HB2  LYS1910           HB2      LYS1910   3.813   5.390   7.496
  193    HB3  LYS1910           HB1      LYS1910   4.925   4.341   6.648
  194    HG2  LYS1910           HG2      LYS1910   6.649   5.135   7.734
  195    HG3  LYS1910           HG1      LYS1910   6.255   6.784   7.244
  196    HD2  LYS1910           HD2      LYS1910   5.152   5.268   9.637
  197    HD3  LYS1910           HD1      LYS1910   6.293   6.606   9.698
  198    HE2  LYS1910           HE2      LYS1910   4.614   8.140   8.896
  199    HE3  LYS1910           HE1      LYS1910   3.483   6.827   8.602
  200    HZ1  LYS1910           HZ1      LYS1910   4.504   7.543  11.313
  201    HZ2  LYS1910           HZ2      LYS1910   3.229   6.510  10.982
  202    HZ3  LYS1910           HZ3      LYS1910   3.116   8.165  10.644
  203    H    ARG1911           HN       ARG1911   2.374   7.443   5.742
  204    HA   ARG1911           HA       ARG1911   3.708   9.865   6.593
  205    HB2  ARG1911           HB2      ARG1911   2.332  11.172   4.968
  206    HB3  ARG1911           HB1      ARG1911   3.533  10.140   4.216
  207    HG2  ARG1911           HG2      ARG1911   1.495   8.468   4.080
  208    HG3  ARG1911           HG1      ARG1911   0.577   9.975   4.156
  209    HD2  ARG1911           HD2      ARG1911   2.688   9.213   2.137
  210    HD3  ARG1911           HD1      ARG1911   0.966   9.430   1.854
  211    HE   ARG1911           HE       ARG1911   1.763  11.839   2.813
  212   HH11  ARG1911          HH11      ARG1911   2.861   9.827   0.101
  213   HH12  ARG1911          HH12      ARG1911   3.469  11.127  -0.805
  214   HH21  ARG1911          HH21      ARG1911   2.559  13.606   1.591
  215   HH22  ARG1911          HH22      ARG1911   3.213  13.403   0.049
  216    H    GLU1912           HN       GLU1912   1.946  11.488   7.316
  217    HA   GLU1912           HA       GLU1912   0.549   9.961   9.274
  218    HB2  GLU1912           HB2      GLU1912   0.648  12.948   8.877
  219    HB3  GLU1912           HB1      GLU1912  -0.036  12.128  10.274
  220    HG2  GLU1912           HG2      GLU1912   2.848  12.083   9.399
  221    HG3  GLU1912           HG1      GLU1912   2.180  12.907  10.810
  222    H    SER1913           HN       SER1913  -0.380  11.668   6.395
  223    HA   SER1913           HA       SER1913  -3.168  11.353   7.005
  224    HB2  SER1913           HB2      SER1913  -3.328  12.384   4.663
  225    HB3  SER1913           HB1      SER1913  -2.625  13.384   5.939
  226    HG   SER1913           HG       SER1913  -1.330  13.450   4.065
  227    H    GLY1914           HN       GLY1914  -1.431  10.651   4.036
  228    HA2  GLY1914           HA2      GLY1914  -1.346   7.995   3.796
  229    HA3  GLY1914           HA1      GLY1914  -3.066   8.341   3.523
  230    H    TYR1915           HN       TYR1915  -2.304   7.373   1.398
  231    HA   TYR1915           HA       TYR1915  -1.105   9.394  -0.353
  232    HB2  TYR1915           HB2      TYR1915  -1.780   6.544  -1.055
  233    HB3  TYR1915           HB1      TYR1915  -0.736   7.651  -1.925
  234    HD1  TYR1915           HD2      TYR1915   1.551   8.159  -0.960
  235    HD2  TYR1915           HD1      TYR1915  -1.011   5.179   0.620
  236    HE1  TYR1915           HE2      TYR1915   3.463   7.086   0.171
  237    HE2  TYR1915           HE1      TYR1915   0.854   4.123   1.726
  238    HH   TYR1915           HH       TYR1915   3.738   5.616   2.146
  239    H    THR1916           HN       THR1916  -2.292  10.119  -2.021
  240    HA   THR1916           HA       THR1916  -5.094   9.265  -2.108
  241    HB   THR1916           HB       THR1916  -4.921  11.542  -1.214
  242    HG1  THR1916           HG1      THR1916  -6.684  11.308  -2.452
  243   HG21  THR1916          HG21      THR1916  -3.932  13.379  -2.543
  244   HG22  THR1916          HG22      THR1916  -3.417  12.191  -3.753
  245   HG23  THR1916          HG23      THR1916  -2.737  12.137  -2.136
  246    H    ILE1917           HN       ILE1917  -5.645   8.233  -3.634
  247    HA   ILE1917           HA       ILE1917  -4.615   8.866  -6.250
  248    HB   ILE1917           HB       ILE1917  -5.152   6.133  -6.167
  249   HG12  ILE1917          HG12      ILE1917  -3.120   6.854  -4.033
  250   HG13  ILE1917          HG11      ILE1917  -4.686   6.108  -3.758
  251   HG21  ILE1917          HG21      ILE1917  -2.759   5.925  -6.918
  252   HG22  ILE1917          HG22      ILE1917  -2.510   7.608  -6.468
  253   HG23  ILE1917          HG23      ILE1917  -3.640   7.199  -7.759
  254   HD11  ILE1917          HD11      ILE1917  -2.895   4.476  -3.603
  255   HD12  ILE1917          HD12      ILE1917  -2.374   4.876  -5.240
  256   HD13  ILE1917          HD13      ILE1917  -3.943   4.116  -4.976
  257    H    THR1918           HN       THR1918  -6.048   7.429  -7.813
  258    HA   THR1918           HA       THR1918  -8.804   7.736  -6.885
  259    HB   THR1918           HB       THR1918  -7.804   8.165  -9.719
  260    HG1  THR1918           HG1      THR1918  -6.872   9.754  -8.576
  261   HG21  THR1918          HG21      THR1918  -9.944   9.349  -9.979
  262   HG22  THR1918          HG22      THR1918 -10.344   9.017  -8.294
  263   HG23  THR1918          HG23      THR1918 -10.222   7.689  -9.448
  264    H    ASP1919           HN       ASP1919 -10.247   6.184  -7.697
  265    HA   ASP1919           HA       ASP1919  -9.051   3.683  -8.494
  266    HB2  ASP1919           HB2      ASP1919 -10.705   3.641  -6.651
  267    HB3  ASP1919           HB1      ASP1919 -11.840   4.535  -7.623
  268    H    SER1920           HN       SER1920 -11.159   2.713 -10.123
  269    HA   SER1920           HA       SER1920 -10.392   2.985 -12.601
  270    HB2  SER1920           HB2      SER1920 -13.208   2.747 -11.594
  271    HB3  SER1920           HB1      SER1920 -12.669   2.236 -13.217
  272    HG   SER1920           HG       SER1920 -12.635   0.835 -10.995
  273    H    HIS1921           HN       HIS1921 -13.031   5.153 -11.400
  274    HA   HIS1921           HA       HIS1921 -12.137   7.509 -12.718
  275    HB2  HIS1921           HB2      HIS1921 -13.658   7.760 -14.605
  276    HB3  HIS1921           HB1      HIS1921 -12.682   6.321 -14.838
  277    HD1  HIS1921           HD1      HIS1921 -16.081   7.520 -14.884
  278    HD2  HIS1921           HD2      HIS1921 -14.221   3.862 -14.273
  279    HE1  HIS1921           HE1      HIS1921 -17.882   5.767 -15.211
  280    HE2  HIS1921           HE2      HIS1921 -16.646   3.559 -15.022
  281    H    ASN1922           HN       ASN1922 -13.645   6.322 -10.383
  282    HA   ASN1922           HA       ASN1922 -15.437   8.599 -10.183
  283    HB2  ASN1922           HB2      ASN1922 -16.711   6.657 -11.109
  284    HB3  ASN1922           HB1      ASN1922 -16.335   5.777  -9.658
  285   HD21  ASN1922          HD21      ASN1922 -17.958   8.524 -10.897
  286   HD22  ASN1922          HD22      ASN1922 -19.090   8.724  -9.600
  287    H    ARG1923           HN       ARG1923 -14.636   5.587  -8.648
  288    HA   ARG1923           HA       ARG1923 -14.821   6.636  -6.007
  289    HB2  ARG1923           HB2      ARG1923 -13.575   4.057  -6.990
  290    HB3  ARG1923           HB1      ARG1923 -13.677   4.501  -5.300
  291    HG2  ARG1923           HG2      ARG1923 -15.363   2.963  -5.756
  292    HG3  ARG1923           HG1      ARG1923 -16.200   4.520  -5.562
  293    HD2  ARG1923           HD2      ARG1923 -17.221   3.412  -7.366
  294    HD3  ARG1923           HD1      ARG1923 -16.112   4.550  -8.136
  295    HE   ARG1923           HE       ARG1923 -14.540   2.470  -8.083
  296   HH11  ARG1923          HH11      ARG1923 -17.968   2.566  -9.009
  297   HH12  ARG1923          HH12      ARG1923 -17.900   1.051  -9.810
  298   HH21  ARG1923          HH21      ARG1923 -14.473   0.446  -9.255
  299   HH22  ARG1923          HH22      ARG1923 -15.871  -0.129 -10.013
  300    H    LYS1924           HN       LYS1924 -13.148   6.928  -4.516
  301    HA   LYS1924           HA       LYS1924 -10.585   7.679  -5.753
  302    HB2  LYS1924           HB2      LYS1924 -11.866   8.617  -3.177
  303    HB3  LYS1924           HB1      LYS1924 -10.250   9.058  -3.694
  304    HG2  LYS1924           HG2      LYS1924 -12.775   9.711  -5.203
  305    HG3  LYS1924           HG1      LYS1924 -11.940  10.806  -4.103
  306    HD2  LYS1924           HD2      LYS1924 -10.772   9.616  -6.623
  307    HD3  LYS1924           HD1      LYS1924 -11.386  11.261  -6.459
  308    HE2  LYS1924           HE2      LYS1924  -9.688  11.651  -4.677
  309    HE3  LYS1924           HE1      LYS1924  -9.032  10.049  -5.009
  310    HZ1  LYS1924           HZ1      LYS1924  -9.150  12.329  -6.918
  311    HZ2  LYS1924           HZ2      LYS1924  -8.568  10.797  -7.307
  312    HZ3  LYS1924           HZ3      LYS1924  -7.766  11.726  -6.166
  313    H    ILE1925           HN       ILE1925  -8.687   6.876  -4.832
  314    HA   ILE1925           HA       ILE1925  -9.180   4.758  -2.909
  315    HB   ILE1925           HB       ILE1925  -6.904   4.966  -4.920
  316   HG12  ILE1925          HG12      ILE1925  -9.216   3.034  -4.651
  317   HG13  ILE1925          HG11      ILE1925  -9.053   4.272  -5.877
  318   HG21  ILE1925          HG21      ILE1925  -6.197   2.777  -4.040
  319   HG22  ILE1925          HG22      ILE1925  -7.472   2.861  -2.824
  320   HG23  ILE1925          HG23      ILE1925  -6.143   4.020  -2.787
  321   HD11  ILE1925          HD11      ILE1925  -8.500   2.047  -6.781
  322   HD12  ILE1925          HD12      ILE1925  -7.250   1.859  -5.563
  323   HD13  ILE1925          HD13      ILE1925  -7.084   3.096  -6.803
  324    H    GLU1926           HN       GLU1926  -8.807   5.386  -1.084
  325    HA   GLU1926           HA       GLU1926  -6.617   7.283  -0.510
  326    HB2  GLU1926           HB2      GLU1926  -9.121   7.814   0.007
  327    HB3  GLU1926           HB1      GLU1926  -8.953   6.635   1.290
  328    HG2  GLU1926           HG2      GLU1926  -7.212   9.073   1.059
  329    HG3  GLU1926           HG1      GLU1926  -8.742   9.070   1.909
  330    H    LEU1927           HN       LEU1927  -4.901   6.241   0.342
  331    HA   LEU1927           HA       LEU1927  -5.376   4.174   2.258
  332    HB2  LEU1927           HB2      LEU1927  -3.894   2.488   1.078
  333    HB3  LEU1927           HB1      LEU1927  -5.519   2.684   0.495
  334    HG   LEU1927           HG       LEU1927  -4.670   3.926  -1.466
  335   HD11  LEU1927          HD11      LEU1927  -1.935   3.269  -0.384
  336   HD12  LEU1927          HD12      LEU1927  -2.642   4.886  -0.527
  337   HD13  LEU1927          HD13      LEU1927  -2.296   3.942  -1.975
  338   HD21  LEU1927          HD21      LEU1927  -3.621   2.032  -2.543
  339   HD22  LEU1927          HD22      LEU1927  -5.006   1.557  -1.562
  340   HD23  LEU1927          HD23      LEU1927  -3.365   1.284  -0.968
  341    H    ASN1928           HN       ASN1928  -3.435   3.371   3.300
  342    HA   ASN1928           HA       ASN1928  -1.110   5.056   2.862
  343    HB2  ASN1928           HB2      ASN1928  -2.562   6.180   4.597
  344    HB3  ASN1928           HB1      ASN1928  -2.353   4.762   5.610
  345   HD21  ASN1928          HD21      ASN1928  -1.474   6.112   7.169
  346   HD22  ASN1928          HD22      ASN1928   0.142   6.727   7.079
  347    H    VAL1929           HN       VAL1929   0.810   4.134   3.572
  348    HA   VAL1929           HA       VAL1929   0.603   1.257   4.072
  349    HB   VAL1929           HB       VAL1929   2.659   2.818   2.470
  350   HG11  VAL1929          HG11      VAL1929   3.815   1.073   3.759
  351   HG12  VAL1929          HG12      VAL1929   3.798   0.704   2.038
  352   HG13  VAL1929          HG13      VAL1929   2.691  -0.135   3.129
  353   HG21  VAL1929          HG21      VAL1929   0.593   2.346   1.297
  354   HG22  VAL1929          HG22      VAL1929   0.727   0.637   1.712
  355   HG23  VAL1929          HG23      VAL1929   1.912   1.378   0.632
  356    H    CYS1930           HN       CYS1930   1.829   0.362   5.564
  357    HA   CYS1930           HA       CYS1930   3.083   0.054   7.469
  358    HB2  CYS1930           HB2      CYS1930   4.275   2.755   6.802
  359    HB3  CYS1930           HB1      CYS1930   4.765   1.799   8.187
  360    H    ALA1931           HN       ALA1931   1.232   2.879   7.082
  361    HA   ALA1931           HA       ALA1931   0.534   2.755   9.881
  362    HB1  ALA1931           HB1      ALA1931   1.047   5.260   8.268
  363    HB2  ALA1931           HB2      ALA1931   2.036   4.657   9.599
  364    HB3  ALA1931           HB3      ALA1931   0.387   5.212   9.904
  365    H    GLU1932           HN       GLU1932  -1.472   3.699  10.171
  366    HA   GLU1932           HA       GLU1932  -3.360   2.740   8.253
  367    HB2  GLU1932           HB2      GLU1932  -5.139   3.425   9.932
  368    HB3  GLU1932           HB1      GLU1932  -3.926   2.322  10.528
  369    HG2  GLU1932           HG2      GLU1932  -3.909   5.289  11.062
  370    HG3  GLU1932           HG1      GLU1932  -4.635   4.093  12.128
  371    H    ALA1933           HN       ALA1933  -5.059   3.838   7.234
  372    HA   ALA1933           HA       ALA1933  -4.177   6.293   6.012
  373    HB1  ALA1933           HB1      ALA1933  -6.668   4.658   5.535
  374    HB2  ALA1933           HB2      ALA1933  -5.142   4.487   4.668
  375    HB3  ALA1933           HB3      ALA1933  -6.080   5.971   4.516
  376    H    LYS1934           HN       LYS1934  -4.738   8.249   6.589
  377    HA   LYS1934           HA       LYS1934  -7.124   8.589   8.296
  378    HB2  LYS1934           HB2      LYS1934  -4.512  10.064   8.576
  379    HB3  LYS1934           HB1      LYS1934  -5.921  10.200   9.618
  380    HG2  LYS1934           HG2      LYS1934  -5.620   7.901  10.342
  381    HG3  LYS1934           HG1      LYS1934  -4.229   7.741   9.266
  382    HD2  LYS1934           HD2      LYS1934  -3.177   9.637  10.523
  383    HD3  LYS1934           HD1      LYS1934  -4.502   9.510  11.687
  384    HE2  LYS1934           HE2      LYS1934  -2.595   8.263  12.481
  385    HE3  LYS1934           HE1      LYS1934  -3.903   7.155  12.061
  386    HZ1  LYS1934           HZ1      LYS1934  -1.875   6.275  11.199
  387    HZ2  LYS1934           HZ2      LYS1934  -1.442   7.715  10.481
  388    HZ3  LYS1934           HZ3      LYS1934  -2.740   6.837   9.863
  389    H    SER1935           HN       SER1935  -6.122   9.256   5.282
  390    HA   SER1935           HA       SER1935  -6.360  12.111   5.253
  391    HB2  SER1935           HB2      SER1935  -6.862  10.395   2.835
  392    HB3  SER1935           HB1      SER1935  -6.124  11.990   2.923
  393    HG   SER1935           HG       SER1935  -5.079   9.485   3.258
  394    H    SER1936           HN       SER1936  -8.440   9.419   4.343
  395    HA   SER1936           HA       SER1936 -10.797  11.078   4.860
  396    HB2  SER1936           HB2      SER1936 -10.433   9.463   2.331
  397    HB3  SER1936           HB1      SER1936 -11.878  10.374   2.784
  398    HG   SER1936           HG       SER1936  -9.652  11.885   2.952
  399    H    CYS1937           HN       CYS1937  -9.285   7.885   4.896
  400    HA   CYS1937           HA       CYS1937 -11.674   6.463   5.278
  401    HB2  CYS1937           HB2      CYS1937  -9.449   5.566   4.437
  402    HB3  CYS1937           HB1      CYS1937  -8.883   5.629   6.103
  403    H    ALA1938           HN       ALA1938 -11.342   4.913   7.570
  404    HA   ALA1938           HA       ALA1938 -12.273   6.887   9.456
  405    HB1  ALA1938           HB1      ALA1938 -13.175   5.095  10.751
  406    HB2  ALA1938           HB2      ALA1938 -12.285   3.912   9.828
  407    HB3  ALA1938           HB3      ALA1938 -13.592   4.825   9.052
  408    H    ASN1939           HN       ASN1939 -10.609   3.947  10.528
  409    HA   ASN1939           HA       ASN1939  -9.051   5.714  12.108
  410    HB2  ASN1939           HB2      ASN1939 -10.717   5.107  13.599
  411    HB3  ASN1939           HB1      ASN1939 -10.737   3.439  13.057
  412   HD21  ASN1939          HD21      ASN1939  -9.392   2.005  13.973
  413   HD22  ASN1939          HD22      ASN1939  -8.378   2.325  15.322
  414    H    GLY1940           HN       GLY1940  -9.178   2.163  11.812
  415    HA2  GLY1940           HA2      GLY1940  -6.243   2.164  11.835
  416    HA3  GLY1940           HA1      GLY1940  -7.277   0.869  12.422
  417    H    ALA1941           HN       ALA1941  -8.323   2.250   9.602
  418    HA   ALA1941           HA       ALA1941  -7.801  -0.168   8.200
  419    HB1  ALA1941           HB1      ALA1941  -9.165   0.805   6.441
  420    HB2  ALA1941           HB2      ALA1941  -9.172   2.341   7.306
  421    HB3  ALA1941           HB3      ALA1941  -9.945   0.922   8.017
  422    H    ALA1942           HN       ALA1942  -6.854  -0.102   5.932
  423    HA   ALA1942           HA       ALA1942  -4.792   1.970   5.782
  424    HB1  ALA1942           HB1      ALA1942  -4.463  -0.907   4.979
  425    HB2  ALA1942           HB2      ALA1942  -3.814  -0.167   6.442
  426    HB3  ALA1942           HB3      ALA1942  -3.244   0.360   4.861
  427    H    VAL1943           HN       VAL1943  -6.493  -0.476   3.788
  428    HA   VAL1943           HA       VAL1943  -6.232   1.423   1.557
  429    HB   VAL1943           HB       VAL1943  -6.958  -1.536   1.481
  430   HG11  VAL1943          HG11      VAL1943  -6.768  -1.338  -0.960
  431   HG12  VAL1943          HG12      VAL1943  -6.495   0.398  -0.798
  432   HG13  VAL1943          HG13      VAL1943  -8.045  -0.299  -0.328
  433   HG21  VAL1943          HG21      VAL1943  -4.609  -1.168   2.018
  434   HG22  VAL1943          HG22      VAL1943  -4.445  -0.115   0.611
  435   HG23  VAL1943          HG23      VAL1943  -4.786  -1.836   0.395
  436    H    CYS1944           HN       CYS1944  -7.952   2.664   1.209
  437    HA   CYS1944           HA       CYS1944 -10.566   1.552   1.824
  438    HB2  CYS1944           HB2      CYS1944  -9.543   4.290   2.573
  439    HB3  CYS1944           HB1      CYS1944 -11.179   3.687   2.848
  440    H    ILE1945           HN       ILE1945 -11.781   1.566   0.130
  441    HA   ILE1945           HA       ILE1945 -11.219   3.298  -2.141
  442    HB   ILE1945           HB       ILE1945 -13.345   1.153  -1.797
  443   HG12  ILE1945          HG12      ILE1945 -11.139   0.133  -1.537
  444   HG13  ILE1945          HG11      ILE1945 -11.864  -0.362  -3.057
  445   HG21  ILE1945          HG21      ILE1945 -13.857   2.707  -3.583
  446   HG22  ILE1945          HG22      ILE1945 -13.433   1.129  -4.246
  447   HG23  ILE1945          HG23      ILE1945 -12.264   2.449  -4.297
  448   HD11  ILE1945          HD11      ILE1945  -9.728   1.728  -2.702
  449   HD12  ILE1945          HD12      ILE1945 -10.445   1.238  -4.242
  450   HD13  ILE1945          HD13      ILE1945  -9.494   0.085  -3.306
  451    H    THR1946           HN       THR1946 -12.223   5.254  -2.084
  452    HA   THR1946           HA       THR1946 -14.542   5.503  -0.351
  453    HB   THR1946           HB       THR1946 -13.224   7.795  -1.816
  454    HG1  THR1946           HG1      THR1946 -11.981   6.180  -0.170
  455   HG21  THR1946          HG21      THR1946 -15.376   8.155  -0.643
  456   HG22  THR1946          HG22      THR1946 -14.054   9.041   0.117
  457   HG23  THR1946          HG23      THR1946 -14.643   7.548   0.844
  458    H    ASP1947           HN       ASP1947 -16.336   5.012  -1.286
  459    HA   ASP1947           HA       ASP1947 -16.776   5.503  -4.126
  460    HB2  ASP1947           HB2      ASP1947 -17.172   3.211  -3.231
  461    HB3  ASP1947           HB1      ASP1947 -18.345   3.874  -2.103
  462    H    GLY1948           HN       GLY1948 -17.325   7.610  -4.232
  463    HA2  GLY1948           HA2      GLY1948 -18.653   9.463  -4.022
  464    HA3  GLY1948           HA1      GLY1948 -19.807   8.478  -3.115
  465    HA   PRO1949           HA       PRO1949 -17.884  10.541   0.398
  466    HB2  PRO1949           HB2      PRO1949 -20.059  10.730   1.897
  467    HB3  PRO1949           HB1      PRO1949 -19.877  11.743   0.459
  468    HG2  PRO1949           HG2      PRO1949 -21.600   9.361   0.884
  469    HG3  PRO1949           HG1      PRO1949 -21.866  10.772  -0.152
  470    HD2  PRO1949           HD2      PRO1949 -20.855   8.216  -0.918
  471    HD3  PRO1949           HD1      PRO1949 -21.000   9.666  -1.932
  472    H    LYS1950           HN       LYS1950 -18.958   7.422  -0.086
  473    HA   LYS1950           HA       LYS1950 -18.889   6.682   2.734
  474    HB2  LYS1950           HB2      LYS1950 -20.936   6.146   1.465
  475    HB3  LYS1950           HB1      LYS1950 -19.983   5.202   0.339
  476    HG2  LYS1950           HG2      LYS1950 -19.511   3.567   2.000
  477    HG3  LYS1950           HG1      LYS1950 -20.207   4.581   3.269
  478    HD2  LYS1950           HD2      LYS1950 -22.401   4.424   2.210
  479    HD3  LYS1950           HD1      LYS1950 -21.714   3.442   0.917
  480    HE2  LYS1950           HE2      LYS1950 -21.180   1.689   2.460
  481    HE3  LYS1950           HE1      LYS1950 -21.669   2.690   3.827
  482    HZ1  LYS1950           HZ1      LYS1950 -23.488   1.726   1.675
  483    HZ2  LYS1950           HZ2      LYS1950 -23.926   2.645   3.017
  484    HZ3  LYS1950           HZ3      LYS1950 -23.359   1.078   3.236
  485    H    THR1951           HN       THR1951 -17.370   5.310   3.479
  486    HA   THR1951           HA       THR1951 -15.173   4.786   1.645
  487    HB   THR1951           HB       THR1951 -15.258   4.622   4.659
  488    HG1  THR1951           HG1      THR1951 -15.437   6.689   3.067
  489   HG21  THR1951          HG21      THR1951 -13.411   3.381   3.599
  490   HG22  THR1951          HG22      THR1951 -12.817   4.802   4.457
  491   HG23  THR1951          HG23      THR1951 -12.964   4.827   2.698
  492    H    LEU1952           HN       LEU1952 -14.911   2.795   0.846
  493    HA   LEU1952           HA       LEU1952 -16.011   0.470   2.234
  494    HB2  LEU1952           HB2      LEU1952 -16.602   0.665  -0.115
  495    HB3  LEU1952           HB1      LEU1952 -14.929   0.915  -0.558
  496    HG   LEU1952           HG       LEU1952 -14.426  -1.417   0.100
  497   HD11  LEU1952          HD11      LEU1952 -17.399  -1.648   0.498
  498   HD12  LEU1952          HD12      LEU1952 -16.158  -1.749   1.750
  499   HD13  LEU1952          HD13      LEU1952 -16.245  -2.984   0.492
  500   HD21  LEU1952          HD21      LEU1952 -16.653  -1.114  -1.912
  501   HD22  LEU1952          HD22      LEU1952 -15.549  -2.485  -1.799
  502   HD23  LEU1952          HD23      LEU1952 -14.931  -0.891  -2.224
  503    H    ASN1953           HN       ASN1953 -14.608  -0.619   3.497
  504    HA   ASN1953           HA       ASN1953 -11.781  -0.020   3.168
  505    HB2  ASN1953           HB2      ASN1953 -12.801   0.167   5.432
  506    HB3  ASN1953           HB1      ASN1953 -13.182  -1.548   5.380
  507   HD21  ASN1953          HD21      ASN1953 -10.178  -0.153   4.139
  508   HD22  ASN1953          HD22      ASN1953  -9.185  -0.891   5.325
  509    H    ALA1954           HN       ALA1954 -10.644  -1.293   1.890
  510    HA   ALA1954           HA       ALA1954 -11.578  -3.978   1.303
  511    HB1  ALA1954           HB1      ALA1954 -10.808  -2.544  -0.534
  512    HB2  ALA1954           HB2      ALA1954  -9.812  -3.992  -0.398
  513    HB3  ALA1954           HB3      ALA1954  -9.210  -2.448   0.207
  514    H    GLY1955           HN       GLY1955  -9.196  -2.373   3.197
  515    HA2  GLY1955           HA2      GLY1955  -8.516  -4.795   4.524
  516    HA3  GLY1955           HA1      GLY1955  -7.209  -4.204   3.508
  517    H    LYS1956           HN       LYS1956  -7.810  -4.366   6.521
  518    HA   LYS1956           HA       LYS1956  -7.640  -1.610   7.255
  519    HB2  LYS1956           HB2      LYS1956  -7.516  -2.395   9.564
  520    HB3  LYS1956           HB1      LYS1956  -8.823  -3.217   8.726
  521    HG2  LYS1956           HG2      LYS1956  -7.442  -5.209   8.481
  522    HG3  LYS1956           HG1      LYS1956  -6.090  -4.379   9.247
  523    HD2  LYS1956           HD2      LYS1956  -8.752  -4.930  10.559
  524    HD3  LYS1956           HD1      LYS1956  -7.294  -5.897  10.788
  525    HE2  LYS1956           HE2      LYS1956  -7.564  -2.963  11.458
  526    HE3  LYS1956           HE1      LYS1956  -7.686  -4.281  12.618
  527    HZ1  LYS1956           HZ1      LYS1956  -5.233  -3.587  11.038
  528    HZ2  LYS1956           HZ2      LYS1956  -5.376  -4.891  12.051
  529    HZ3  LYS1956           HZ3      LYS1956  -5.498  -3.316  12.678
  530    H    LEU1957           HN       LEU1957  -5.761  -1.148   8.965
  531    HA   LEU1957           HA       LEU1957  -3.365  -1.462   7.540
  532    HB2  LEU1957           HB2      LEU1957  -3.617   0.487   8.876
  533    HB3  LEU1957           HB1      LEU1957  -3.918  -0.466  10.321
  534    HG   LEU1957           HG       LEU1957  -1.595  -1.358  10.130
  535   HD11  LEU1957          HD11      LEU1957   0.032  -0.147   8.793
  536   HD12  LEU1957          HD12      LEU1957  -1.276   0.770   8.044
  537   HD13  LEU1957          HD13      LEU1957  -1.171  -0.977   7.804
  538   HD21  LEU1957          HD21      LEU1957  -1.871   1.618  10.444
  539   HD22  LEU1957          HD22      LEU1957  -0.522   0.638  11.023
  540   HD23  LEU1957          HD23      LEU1957  -2.135   0.402  11.691
  541    H    SER1958           HN       SER1958  -2.328  -3.199   7.422
  542    HA   SER1958           HA       SER1958  -1.593  -4.523   9.876
  543    HB2  SER1958           HB2      SER1958  -3.220  -5.987   8.571
  544    HB3  SER1958           HB1      SER1958  -2.126  -5.891   7.196
  545    HG   SER1958           HG       SER1958  -0.690  -7.149   8.207
  546    H    LYS1959           HN       LYS1959   0.318  -3.647  10.040
  547    HA   LYS1959           HA       LYS1959   1.753  -2.937   7.679
  548    HB2  LYS1959           HB2      LYS1959   3.501  -2.034   9.251
  549    HB3  LYS1959           HB1      LYS1959   1.905  -1.358   9.544
  550    HG2  LYS1959           HG2      LYS1959   1.631  -2.962  11.409
  551    HG3  LYS1959           HG1      LYS1959   3.295  -3.499  11.158
  552    HD2  LYS1959           HD2      LYS1959   3.318  -1.921  12.941
  553    HD3  LYS1959           HD1      LYS1959   3.985  -1.106  11.529
  554    HE2  LYS1959           HE2      LYS1959   2.467   0.387  12.676
  555    HE3  LYS1959           HE1      LYS1959   1.777  -0.069  11.122
  556    HZ1  LYS1959           HZ1      LYS1959   0.149  -0.091  12.948
  557    HZ2  LYS1959           HZ2      LYS1959   1.004  -1.270  13.750
  558    HZ3  LYS1959           HZ3      LYS1959   0.297  -1.635  12.280
  559    H    THR1960           HN       THR1960   1.682  -5.052   6.894
  560    HA   THR1960           HA       THR1960   3.702  -6.882   7.927
  561    HB   THR1960           HB       THR1960   1.609  -7.390   5.798
  562    HG1  THR1960           HG1      THR1960   1.513  -7.772   8.623
  563   HG21  THR1960          HG21      THR1960   3.188  -9.250   7.599
  564   HG22  THR1960          HG22      THR1960   3.486  -8.994   5.879
  565   HG23  THR1960          HG23      THR1960   1.983  -9.748   6.412
  566    H    LEU1961           HN       LEU1961   5.539  -6.081   7.093
  567    HA   LEU1961           HA       LEU1961   5.793  -5.393   4.271
  568    HB2  LEU1961           HB2      LEU1961   7.650  -5.223   6.672
  569    HB3  LEU1961           HB1      LEU1961   8.203  -4.920   5.046
  570    HG   LEU1961           HG       LEU1961   7.841  -2.862   6.366
  571   HD11  LEU1961          HD11      LEU1961   6.597  -1.623   4.691
  572   HD12  LEU1961          HD12      LEU1961   6.037  -3.146   3.999
  573   HD13  LEU1961          HD13      LEU1961   7.755  -2.748   3.982
  574   HD21  LEU1961          HD21      LEU1961   5.478  -2.075   6.741
  575   HD22  LEU1961          HD22      LEU1961   5.957  -3.442   7.751
  576   HD23  LEU1961          HD23      LEU1961   4.947  -3.707   6.339
  577    H    THR1962           HN       THR1962   6.000  -7.246   3.031
  578    HA   THR1962           HA       THR1962   7.840  -9.206   4.108
  579    HB   THR1962           HB       THR1962   5.786 -10.094   4.776
  580    HG1  THR1962           HG1      THR1962   6.991 -11.698   3.918
  581   HG21  THR1962          HG21      THR1962   4.293  -8.738   3.522
  582   HG22  THR1962          HG22      THR1962   3.840 -10.432   3.283
  583   HG23  THR1962          HG23      THR1962   4.705  -9.552   2.009
  584    H    TYR1963           HN       TYR1963   8.871 -10.508   2.661
  585    HA   TYR1963           HA       TYR1963   9.233  -9.287   0.045
  586    HB2  TYR1963           HB2      TYR1963  11.264 -10.936   0.064
  587    HB3  TYR1963           HB1      TYR1963  11.373  -9.479   1.029
  588    HD1  TYR1963           HD1      TYR1963  10.837 -13.155   1.162
  589    HD2  TYR1963           HD2      TYR1963  11.482  -9.603   3.419
  590    HE1  TYR1963           HE1      TYR1963  11.279 -14.511   3.168
  591    HE2  TYR1963           HE2      TYR1963  11.922 -10.944   5.418
  592    HH   TYR1963           HH       TYR1963  12.423 -14.315   5.387
  593    H    GLU1964           HN       GLU1964   8.599 -10.209  -1.784
  594    HA   GLU1964           HA       GLU1964   8.396 -13.078  -2.025
  595    HB2  GLU1964           HB2      GLU1964   6.162 -11.928  -1.113
  596    HB3  GLU1964           HB1      GLU1964   5.972 -11.450  -2.785
  597    HG2  GLU1964           HG2      GLU1964   6.258 -14.302  -1.863
  598    HG3  GLU1964           HG1      GLU1964   4.719 -13.487  -2.101
  599    H    ASP1965           HN       ASP1965   9.115 -13.549  -4.029
  600    HA   ASP1965           HA       ASP1965  10.444 -13.244  -5.781
  601    HB2  ASP1965           HB2      ASP1965   9.488 -12.338  -7.875
  602    HB3  ASP1965           HB1      ASP1965   8.312 -13.312  -7.038
  603    H    GLN1966           HN       GLN1966  11.143 -11.661  -3.697
  604    HA   GLN1966           HA       GLN1966  12.435 -10.167  -3.022
  605    HB2  GLN1966           HB2      GLN1966  13.778 -11.070  -5.013
  606    HB3  GLN1966           HB1      GLN1966  13.369  -9.552  -5.811
  607    HG2  GLN1966           HG2      GLN1966  14.422  -8.291  -4.087
  608    HG3  GLN1966           HG1      GLN1966  14.569  -9.795  -3.152
  609   HE21  GLN1966          HE21      GLN1966  15.830  -7.958  -5.867
  610   HE22  GLN1966          HE22      GLN1966  17.281  -8.868  -6.042
  611    H    VAL1967           HN       VAL1967   9.795  -9.419  -4.439
  612    HA   VAL1967           HA       VAL1967  10.189  -6.537  -4.404
  613    HB   VAL1967           HB       VAL1967   7.806  -8.225  -5.289
  614   HG11  VAL1967          HG11      VAL1967   7.055  -6.051  -4.435
  615   HG12  VAL1967          HG12      VAL1967   6.847  -6.155  -6.182
  616   HG13  VAL1967          HG13      VAL1967   8.193  -5.234  -5.507
  617   HG21  VAL1967          HG21      VAL1967   9.801  -6.632  -6.873
  618   HG22  VAL1967          HG22      VAL1967   8.391  -7.464  -7.531
  619   HG23  VAL1967          HG23      VAL1967   9.693  -8.388  -6.784
  620    H    LEU1968           HN       LEU1968   8.995  -5.275  -2.961
  621    HA   LEU1968           HA       LEU1968   8.454  -6.607  -0.484
  622    HB2  LEU1968           HB2      LEU1968   9.682  -4.497  -0.535
  623    HB3  LEU1968           HB1      LEU1968   8.320  -3.712  -1.308
  624    HG   LEU1968           HG       LEU1968   6.974  -4.125   0.720
  625   HD11  LEU1968          HD11      LEU1968   8.153  -6.061   1.576
  626   HD12  LEU1968          HD12      LEU1968   8.094  -4.774   2.779
  627   HD13  LEU1968          HD13      LEU1968   9.582  -5.074   1.877
  628   HD21  LEU1968          HD21      LEU1968   9.541  -2.606   1.079
  629   HD22  LEU1968          HD22      LEU1968   8.112  -2.444   2.097
  630   HD23  LEU1968          HD23      LEU1968   8.036  -2.002   0.392
  631    H    LYS1969           HN       LYS1969   6.583  -7.434  -0.160
  632    HA   LYS1969           HA       LYS1969   4.269  -6.406  -1.601
  633    HB2  LYS1969           HB2      LYS1969   4.587  -8.997  -0.074
  634    HB3  LYS1969           HB1      LYS1969   3.199  -8.530  -1.043
  635    HG2  LYS1969           HG2      LYS1969   5.981  -9.021  -2.101
  636    HG3  LYS1969           HG1      LYS1969   4.644 -10.162  -2.173
  637    HD2  LYS1969           HD2      LYS1969   3.395  -8.661  -3.606
  638    HD3  LYS1969           HD1      LYS1969   4.648  -7.427  -3.452
  639    HE2  LYS1969           HE2      LYS1969   4.881  -8.587  -5.574
  640    HE3  LYS1969           HE1      LYS1969   6.256  -8.938  -4.536
  641    HZ1  LYS1969           HZ1      LYS1969   5.564 -10.908  -5.616
  642    HZ2  LYS1969           HZ2      LYS1969   3.962 -10.760  -5.132
  643    HZ3  LYS1969           HZ3      LYS1969   5.166 -11.107  -4.001
  644    H    LEU1970           HN       LEU1970   2.928  -5.196  -0.560
  645    HA   LEU1970           HA       LEU1970   2.674  -5.443   2.340
  646    HB2  LEU1970           HB2      LEU1970   2.346  -3.148   0.447
  647    HB3  LEU1970           HB1      LEU1970   1.326  -3.198   1.862
  648    HG   LEU1970           HG       LEU1970   3.285  -1.757   2.169
  649   HD11  LEU1970          HD11      LEU1970   3.301  -4.219   3.892
  650   HD12  LEU1970          HD12      LEU1970   2.268  -2.803   4.098
  651   HD13  LEU1970          HD13      LEU1970   4.012  -2.662   4.313
  652   HD21  LEU1970          HD21      LEU1970   4.880  -4.301   1.937
  653   HD22  LEU1970          HD22      LEU1970   5.514  -2.713   2.374
  654   HD23  LEU1970          HD23      LEU1970   4.875  -2.996   0.757
  655    H    VAL1971           HN       VAL1971   1.067  -6.621   2.848
  656    HA   VAL1971           HA       VAL1971  -1.180  -6.809   1.005
  657    HB   VAL1971           HB       VAL1971  -1.740  -8.942   2.163
  658   HG11  VAL1971          HG11      VAL1971   0.096 -10.255   1.212
  659   HG12  VAL1971          HG12      VAL1971   1.062  -8.786   1.069
  660   HG13  VAL1971          HG13      VAL1971  -0.419  -8.962   0.128
  661   HG21  VAL1971          HG21      VAL1971  -0.071 -10.007   3.629
  662   HG22  VAL1971          HG22      VAL1971  -0.711  -8.528   4.339
  663   HG23  VAL1971          HG23      VAL1971   0.892  -8.527   3.603
  664    H    TYR1972           HN       TYR1972  -2.947  -5.847   1.559
  665    HA   TYR1972           HA       TYR1972  -3.416  -5.378   4.395
  666    HB2  TYR1972           HB2      TYR1972  -4.120  -3.534   2.089
  667    HB3  TYR1972           HB1      TYR1972  -4.743  -3.332   3.729
  668    HD1  TYR1972           HD2      TYR1972  -2.940  -3.320   5.606
  669    HD2  TYR1972           HD1      TYR1972  -2.095  -2.421   1.537
  670    HE1  TYR1972           HE2      TYR1972  -0.906  -2.160   6.299
  671    HE2  TYR1972           HE1      TYR1972  -0.026  -1.256   2.231
  672    HH   TYR1972           HH       TYR1972   1.292  -1.681   5.248
  673    H    GLU1973           HN       GLU1973  -5.123  -6.171   5.267
  674    HA   GLU1973           HA       GLU1973  -7.162  -7.381   3.554
  675    HB2  GLU1973           HB2      GLU1973  -6.926  -9.429   4.942
  676    HB3  GLU1973           HB1      GLU1973  -5.545  -9.090   3.909
  677    HG2  GLU1973           HG2      GLU1973  -4.372  -8.114   5.854
  678    HG3  GLU1973           HG1      GLU1973  -5.726  -8.572   6.876
  679    H    ASP1974           HN       ASP1974  -9.038  -7.968   4.694
  680    HA   ASP1974           HA       ASP1974 -10.678  -8.002   6.221
  681    HB2  ASP1974           HB2      ASP1974  -8.988  -8.832   7.855
  682    HB3  ASP1974           HB1      ASP1974  -8.649  -7.168   8.313
  683    H    GLY1975           HN       GLY1975 -11.897  -6.455   5.368
  684    HA2  GLY1975           HA2      GLY1975 -11.860  -3.936   6.838
  685    HA3  GLY1975           HA1      GLY1975 -11.953  -3.932   5.077
  686    H    ASP1976           HN       ASP1976 -13.831  -4.191   4.146
  687    HA   ASP1976           HA       ASP1976 -16.099  -4.942   5.834
  688    HB2  ASP1976           HB2      ASP1976 -16.043  -3.499   3.161
  689    HB3  ASP1976           HB1      ASP1976 -17.515  -4.021   3.965
  690    HA   PRO1977           HA       PRO1977 -15.926  -8.846   3.828
  691    HB2  PRO1977           HB2      PRO1977 -18.447  -9.697   4.520
  692    HB3  PRO1977           HB1      PRO1977 -17.050  -9.772   5.598
  693    HG2  PRO1977           HG2      PRO1977 -19.261  -7.772   5.498
  694    HG3  PRO1977           HG1      PRO1977 -18.437  -8.473   6.905
  695    HD2  PRO1977           HD2      PRO1977 -17.892  -5.990   5.981
  696    HD3  PRO1977           HD1      PRO1977 -16.665  -7.015   6.752
  697    H    CYS1978           HN       CYS1978 -15.968  -8.674   1.713
  698    HA   CYS1978           HA       CYS1978 -18.014  -7.412   0.206
  699    HB2  CYS1978           HB2      CYS1978 -15.787  -9.276  -0.646
  700    HB3  CYS1978           HB1      CYS1978 -16.760  -8.282  -1.728
  701    HA   PRO1979           HA       PRO1979 -21.161 -10.459  -0.189
  702    HB2  PRO1979           HB2      PRO1979 -21.378 -10.619  -2.986
  703    HB3  PRO1979           HB1      PRO1979 -22.252  -9.511  -1.928
  704    HG2  PRO1979           HG2      PRO1979 -19.774  -9.050  -3.518
  705    HG3  PRO1979           HG1      PRO1979 -21.119  -7.943  -3.190
  706    HD2  PRO1979           HD2      PRO1979 -18.804  -7.673  -1.913
  707    HD3  PRO1979           HD1      PRO1979 -20.341  -7.444  -1.050
  708    H    THR1980           HN       THR1980 -18.343 -11.010  -2.387
  709    HA   THR1980           HA       THR1980 -18.849 -13.770  -2.637
  710    HB   THR1980           HB       THR1980 -16.617 -13.195  -3.834
  711    HG1  THR1980           HG1      THR1980 -16.141 -11.213  -3.380
  712   HG21  THR1980          HG21      THR1980 -18.708 -13.838  -4.979
  713   HG22  THR1980          HG22      THR1980 -17.916 -12.498  -5.816
  714   HG23  THR1980          HG23      THR1980 -19.309 -12.191  -4.780
  715    H    ASP1981           HN       ASP1981 -17.241 -11.624  -0.472
  716    HA   ASP1981           HA       ASP1981 -15.167 -13.596   0.080
  717    HB2  ASP1981           HB2      ASP1981 -14.704 -10.612  -0.177
  718    HB3  ASP1981           HB1      ASP1981 -13.504 -11.788   0.339
  719    H    LEU1982           HN       LEU1982 -17.382 -13.561   1.677
  720    HA   LEU1982           HA       LEU1982 -16.404 -12.229   4.093
  721    HB2  LEU1982           HB2      LEU1982 -18.794 -14.087   3.845
  722    HB3  LEU1982           HB1      LEU1982 -18.367 -13.141   5.247
  723    HG   LEU1982           HG       LEU1982 -18.748 -11.145   3.556
  724   HD11  LEU1982          HD11      LEU1982 -20.425 -13.343   2.431
  725   HD12  LEU1982          HD12      LEU1982 -19.172 -12.415   1.604
  726   HD13  LEU1982          HD13      LEU1982 -20.678 -11.629   2.091
  727   HD21  LEU1982          HD21      LEU1982 -21.055 -10.982   4.376
  728   HD22  LEU1982          HD22      LEU1982 -19.934 -11.449   5.656
  729   HD23  LEU1982          HD23      LEU1982 -20.971 -12.662   4.908
  730    H    LYS1983           HN       LYS1983 -16.872 -15.293   2.591
  731    HA   LYS1983           HA       LYS1983 -15.898 -16.853   4.825
  732    HB2  LYS1983           HB2      LYS1983 -16.522 -18.763   3.476
  733    HB3  LYS1983           HB1      LYS1983 -17.791 -17.534   3.439
  734    HG2  LYS1983           HG2      LYS1983 -17.009 -16.755   1.306
  735    HG3  LYS1983           HG1      LYS1983 -15.753 -17.995   1.306
  736    HD2  LYS1983           HD2      LYS1983 -17.639 -18.729  -0.070
  737    HD3  LYS1983           HD1      LYS1983 -17.517 -19.742   1.367
  738    HE2  LYS1983           HE2      LYS1983 -19.301 -18.460   2.432
  739    HE3  LYS1983           HE1      LYS1983 -19.397 -17.406   1.023
  740    HZ1  LYS1983           HZ1      LYS1983 -21.130 -19.140   1.005
  741    HZ2  LYS1983           HZ2      LYS1983 -19.943 -20.326   1.016
  742    HZ3  LYS1983           HZ3      LYS1983 -20.084 -19.281  -0.307
  743    H    MET1984           HN       MET1984 -14.343 -15.066   2.529
  744    HA   MET1984           HA       MET1984 -11.898 -16.418   2.718
  745    HB2  MET1984           HB2      MET1984 -11.579 -16.478   0.244
  746    HB3  MET1984           HB1      MET1984 -12.808 -17.620   0.764
  747    HG2  MET1984           HG2      MET1984 -14.566 -16.184  -0.015
  748    HG3  MET1984           HG1      MET1984 -13.427 -14.886  -0.353
  749    HE1  MET1984           HE1      MET1984 -11.023 -16.208  -1.760
  750    HE2  MET1984           HE2      MET1984 -11.847 -14.787  -2.402
  751    HE3  MET1984           HE3      MET1984 -11.505 -16.157  -3.457
  752    H    LYS1985           HN       LYS1985 -10.430 -14.860   2.428
  753    HA   LYS1985           HA       LYS1985 -11.383 -12.255   1.461
  754    HB2  LYS1985           HB2      LYS1985  -9.619 -12.665   3.884
  755    HB3  LYS1985           HB1      LYS1985  -9.889 -11.113   3.114
  756    HG2  LYS1985           HG2      LYS1985 -12.293 -11.300   3.650
  757    HG3  LYS1985           HG1      LYS1985 -11.962 -12.826   4.477
  758    HD2  LYS1985           HD2      LYS1985 -10.757 -10.150   5.205
  759    HD3  LYS1985           HD1      LYS1985 -12.108 -10.915   6.040
  760    HE2  LYS1985           HE2      LYS1985  -9.335 -12.089   5.782
  761    HE3  LYS1985           HE1      LYS1985  -9.945 -11.236   7.199
  762    HZ1  LYS1985           HZ1      LYS1985 -10.102 -13.662   7.436
  763    HZ2  LYS1985           HZ2      LYS1985 -11.167 -13.742   6.113
  764    HZ3  LYS1985           HZ3      LYS1985 -11.609 -12.933   7.490
  765    H    HIS1986           HN       HIS1986 -10.392 -12.270  -0.503
  766    HA   HIS1986           HA       HIS1986  -7.542 -12.839  -0.488
  767    HB2  HIS1986           HB2      HIS1986  -9.068 -13.591  -2.408
  768    HB3  HIS1986           HB1      HIS1986  -9.190 -11.891  -2.849
  769    HD1  HIS1986           HD1      HIS1986  -7.336 -10.954  -4.243
  770    HD2  HIS1986           HD2      HIS1986  -6.407 -14.675  -2.682
  771    HE1  HIS1986           HE1      HIS1986  -5.187 -11.633  -5.346
  772    HE2  HIS1986           HE2      HIS1986  -4.559 -13.795  -4.264
  773    H    LYS1987           HN       LYS1987  -6.243 -11.306   0.000
  774    HA   LYS1987           HA       LYS1987  -7.385  -8.737   0.537
  775    HB2  LYS1987           HB2      LYS1987  -5.242  -8.334   1.704
  776    HB3  LYS1987           HB1      LYS1987  -6.196  -9.684   2.284
  777    HG2  LYS1987           HG2      LYS1987  -4.682 -11.130   0.806
  778    HG3  LYS1987           HG1      LYS1987  -3.618  -9.711   0.777
  779    HD2  LYS1987           HD2      LYS1987  -3.570  -9.667   3.182
  780    HD3  LYS1987           HD1      LYS1987  -4.696 -11.016   3.257
  781    HE2  LYS1987           HE2      LYS1987  -2.987 -12.380   2.060
  782    HE3  LYS1987           HE1      LYS1987  -1.866 -11.025   2.256
  783    HZ1  LYS1987           HZ1      LYS1987  -1.411 -12.217   4.164
  784    HZ2  LYS1987           HZ2      LYS1987  -2.940 -12.867   4.211
  785    HZ3  LYS1987           HZ3      LYS1987  -2.716 -11.293   4.763
  786    H    SER1988           HN       SER1988  -5.683  -6.882   0.413
  787    HA   SER1988           HA       SER1988  -5.336  -6.514  -2.441
  788    HB2  SER1988           HB2      SER1988  -5.300  -4.586  -0.119
  789    HB3  SER1988           HB1      SER1988  -5.179  -4.137  -1.832
  790    HG   SER1988           HG       SER1988  -7.339  -5.648  -0.786
  791    H    TYR1989           HN       TYR1989  -3.390  -5.952  -3.340
  792    HA   TYR1989           HA       TYR1989  -1.038  -6.482  -1.685
  793    HB2  TYR1989           HB2      TYR1989  -1.742  -7.246  -4.466
  794    HB3  TYR1989           HB1      TYR1989  -0.066  -7.272  -3.914
  795    HD1  TYR1989           HD2      TYR1989  -3.408  -8.805  -3.578
  796    HD2  TYR1989           HD1      TYR1989   0.692  -9.041  -2.490
  797    HE1  TYR1989           HE2      TYR1989  -3.771 -11.077  -2.718
  798    HE2  TYR1989           HE1      TYR1989   0.339 -11.310  -1.626
  799    HH   TYR1989           HH       TYR1989  -1.486 -12.640  -0.766
  800    H    PHE1990           HN       PHE1990   0.081  -4.714  -1.462
  801    HA   PHE1990           HA       PHE1990   0.247  -2.855  -3.718
  802    HB2  PHE1990           HB2      PHE1990  -0.442  -2.139  -1.271
  803    HB3  PHE1990           HB1      PHE1990   1.278  -2.305  -0.939
  804    HD1  PHE1990           HD2      PHE1990   2.436  -1.275  -3.432
  805    HD2  PHE1990           HD1      PHE1990  -0.836   0.169  -1.130
  806    HE1  PHE1990           HE2      PHE1990   2.828   0.991  -4.289
  807    HE2  PHE1990           HE1      PHE1990  -0.446   2.428  -1.981
  808    HZ   PHE1990           HZ       PHE1990   1.333   2.870  -3.513
  809    H    SER1991           HN       SER1991   2.001  -3.280  -4.899
  810    HA   SER1991           HA       SER1991   4.213  -4.739  -3.681
  811    HB2  SER1991           HB2      SER1991   3.657  -4.145  -6.588
  812    HB3  SER1991           HB1      SER1991   4.852  -5.279  -5.948
  813    HG   SER1991           HG       SER1991   2.172  -5.493  -5.213
  814    H    PHE1992           HN       PHE1992   5.818  -3.552  -2.924
  815    HA   PHE1992           HA       PHE1992   6.511  -1.045  -4.244
  816    HB2  PHE1992           HB2      PHE1992   7.209  -2.165  -1.530
  817    HB3  PHE1992           HB1      PHE1992   8.014  -0.760  -2.212
  818    HD1  PHE1992           HD1      PHE1992   4.836  -2.087  -0.968
  819    HD2  PHE1992           HD2      PHE1992   6.965   1.350  -2.225
  820    HE1  PHE1992           HE1      PHE1992   3.038  -0.673  -0.089
  821    HE2  PHE1992           HE2      PHE1992   5.164   2.786  -1.358
  822    HZ   PHE1992           HZ       PHE1992   3.272   1.828  -0.235
  823    H    VAL1993           HN       VAL1993   8.207  -0.968  -5.453
  824    HA   VAL1993           HA       VAL1993  10.203  -3.074  -5.245
  825    HB   VAL1993           HB       VAL1993   8.620  -3.808  -6.945
  826   HG11  VAL1993          HG11      VAL1993   9.091  -1.187  -8.319
  827   HG12  VAL1993          HG12      VAL1993   7.607  -1.735  -7.542
  828   HG13  VAL1993          HG13      VAL1993   8.198  -2.551  -8.991
  829   HG21  VAL1993          HG21      VAL1993  10.941  -4.343  -7.386
  830   HG22  VAL1993          HG22      VAL1993  11.153  -2.802  -8.219
  831   HG23  VAL1993          HG23      VAL1993  10.089  -4.032  -8.901
  832    H    CYS1994           HN       CYS1994  12.246  -2.474  -6.171
  833    HA   CYS1994           HA       CYS1994  13.117   0.002  -5.403
  834    HB2  CYS1994           HB2      CYS1994  14.625  -1.889  -5.593
  835    HB3  CYS1994           HB1      CYS1994  14.423  -1.921  -7.340
  836    H    LYS1995           HN       LYS1995  13.471   1.919  -6.334
  837    HA   LYS1995           HA       LYS1995  13.452   2.283  -9.220
  838    HB2  LYS1995           HB2      LYS1995  11.173   2.897  -8.192
  839    HB3  LYS1995           HB1      LYS1995  12.018   4.109  -7.263
  840    HG2  LYS1995           HG2      LYS1995  10.987   5.221  -9.078
  841    HG3  LYS1995           HG1      LYS1995  12.705   5.156  -9.450
  842    HD2  LYS1995           HD2      LYS1995  12.277   3.207 -10.917
  843    HD3  LYS1995           HD1      LYS1995  10.556   3.349 -10.567
  844    HE2  LYS1995           HE2      LYS1995  12.267   5.454 -11.902
  845    HE3  LYS1995           HE1      LYS1995  11.170   4.361 -12.730
  846    HZ1  LYS1995           HZ1      LYS1995  10.151   6.469 -12.486
  847    HZ2  LYS1995           HZ2      LYS1995  10.415   6.593 -10.871
  848    HZ3  LYS1995           HZ3      LYS1995   9.302   5.452 -11.467
  849    H    SER1996           HN       SER1996  14.681   4.355  -9.669
  850    HA   SER1996           HA       SER1996  16.377   5.212  -7.410
  851    HB2  SER1996           HB2      SER1996  16.784   5.499 -10.411
  852    HB3  SER1996           HB1      SER1996  17.942   5.958  -9.160
  853    HG   SER1996           HG       SER1996  17.694   3.619  -8.523
  854    H    ASP1997           HN       ASP1997  13.698   5.994  -7.811
  855    HA   ASP1997           HA       ASP1997  13.903   8.796  -8.474
  856    HB2  ASP1997           HB2      ASP1997  13.421   8.066 -10.626
  857    HB3  ASP1997           HB1      ASP1997  12.324   6.816 -10.068
  858    H    ALA1998           HN       ALA1998  10.828   6.894  -8.264
  859    HA   ALA1998           HA       ALA1998   9.147   6.878  -6.886
  860    HB1  ALA1998           HB1      ALA1998   9.459   7.198  -4.494
  861    HB2  ALA1998           HB2      ALA1998  11.027   7.964  -4.802
  862    HB3  ALA1998           HB3      ALA1998  10.785   6.259  -5.200
  863    H    GLY1999           HN       GLY1999  10.063   9.314  -8.406
  864    HA2  GLY1999           HA2      GLY1999   9.303  11.411  -8.828
  865    HA3  GLY1999           HA1      GLY1999   7.924  11.020  -7.807
  866    H    ASP2000           HN       ASP2000   7.747  12.772  -6.557
  867    HA   ASP2000           HA       ASP2000  10.064  13.418  -4.845
  868    HB2  ASP2000           HB2      ASP2000   9.636  15.249  -6.416
  869    HB3  ASP2000           HB1      ASP2000   7.949  15.298  -5.923
  870    H    ASP2001           HN       ASP2001   6.631  13.026  -5.180
  871    HA   ASP2001           HA       ASP2001   6.114  13.545  -2.345
  872    HB2  ASP2001           HB2      ASP2001   4.226  13.017  -4.635
  873    HB3  ASP2001           HB1      ASP2001   3.759  13.438  -2.997
  874    H    SER2002           HN       SER2002   7.025  10.918  -4.099
  875    HA   SER2002           HA       SER2002   6.655   8.724  -4.153
  876    HB2  SER2002           HB2      SER2002   5.817   9.191  -1.273
  877    HB3  SER2002           HB1      SER2002   6.151   7.601  -1.970
  878    HG   SER2002           HG       SER2002   7.852   9.538  -1.091
  879    H    GLN2003           HN       GLN2003   5.146   8.863  -5.698
  880    HA   GLN2003           HA       GLN2003   2.363   8.921  -4.881
  881    HB2  GLN2003           HB2      GLN2003   1.957   9.589  -7.274
  882    HB3  GLN2003           HB1      GLN2003   2.814  10.751  -6.270
  883    HG2  GLN2003           HG2      GLN2003   4.968   9.987  -7.251
  884    HG3  GLN2003           HG1      GLN2003   4.091   8.877  -8.276
  885   HE21  GLN2003          HE21      GLN2003   2.792   9.697  -9.906
  886   HE22  GLN2003          HE22      GLN2003   3.058  11.284 -10.550
  887    HA   PRO2004           HA       PRO2004   2.449   4.472  -5.759
  888    HB2  PRO2004           HB2      PRO2004  -0.421   4.933  -5.146
  889    HB3  PRO2004           HB1      PRO2004   0.696   3.726  -4.496
  890    HG2  PRO2004           HG2      PRO2004   0.029   5.820  -3.011
  891    HG3  PRO2004           HG1      PRO2004   1.728   5.242  -3.095
  892    HD2  PRO2004           HD2      PRO2004   0.419   7.554  -4.466
  893    HD3  PRO2004           HD1      PRO2004   1.981   7.484  -3.618
  894    H    VAL2005           HN       VAL2005   1.950   3.267  -7.525
  895    HA   VAL2005           HA       VAL2005   0.252   4.475  -9.560
  896    HB   VAL2005           HB       VAL2005   2.252   2.189  -9.754
  897   HG11  VAL2005          HG11      VAL2005   0.670   3.528 -11.948
  898   HG12  VAL2005          HG12      VAL2005   0.442   1.883 -11.347
  899   HG13  VAL2005          HG13      VAL2005   1.936   2.319 -12.177
  900   HG21  VAL2005          HG21      VAL2005   3.599   3.746 -11.081
  901   HG22  VAL2005          HG22      VAL2005   3.335   4.342  -9.441
  902   HG23  VAL2005          HG23      VAL2005   2.413   5.017 -10.785
  903    H    PHE2006           HN       PHE2006  -1.722   3.729  -9.703
  904    HA   PHE2006           HA       PHE2006  -2.374   1.232  -8.379
  905    HB2  PHE2006           HB2      PHE2006  -4.717   1.901  -8.567
  906    HB3  PHE2006           HB1      PHE2006  -3.782   3.196  -7.847
  907    HD1  PHE2006           HD2      PHE2006  -3.216   5.208  -9.272
  908    HD2  PHE2006           HD1      PHE2006  -5.976   2.214 -10.521
  909    HE1  PHE2006           HE2      PHE2006  -4.153   6.760 -10.932
  910    HE2  PHE2006           HE1      PHE2006  -6.914   3.763 -12.180
  911    HZ   PHE2006           HZ       PHE2006  -6.001   6.037 -12.389
  912    H    LEU2007           HN       LEU2007  -2.973  -0.552  -9.437
  913    HA   LEU2007           HA       LEU2007  -2.826  -0.428 -12.334
  914    HB2  LEU2007           HB2      LEU2007  -2.888  -2.765 -10.414
  915    HB3  LEU2007           HB1      LEU2007  -3.051  -2.974 -12.140
  916    HG   LEU2007           HG       LEU2007  -0.765  -1.982 -12.420
  917   HD11  LEU2007          HD11      LEU2007  -0.640  -2.184  -9.423
  918   HD12  LEU2007          HD12      LEU2007  -0.598  -0.702 -10.376
  919   HD13  LEU2007          HD13      LEU2007   0.727  -1.859 -10.485
  920   HD21  LEU2007          HD21      LEU2007   0.437  -3.973 -11.657
  921   HD22  LEU2007          HD22      LEU2007  -1.093  -4.381 -12.434
  922   HD23  LEU2007          HD23      LEU2007  -0.958  -4.431 -10.678
  923    H    SER2008           HN       SER2008  -4.935  -2.032  -9.949
  924    HA   SER2008           HA       SER2008  -7.274  -0.858 -10.931
  925    HB2  SER2008           HB2      SER2008  -8.231  -3.111 -11.751
  926    HB3  SER2008           HB1      SER2008  -7.137  -2.253 -12.839
  927    HG   SER2008           HG       SER2008  -5.762  -3.789 -12.690
  928    H    PHE2009           HN       PHE2009  -9.010  -1.356  -9.606
  929    HA   PHE2009           HA       PHE2009  -8.440  -3.082  -7.315
  930    HB2  PHE2009           HB2      PHE2009  -9.020  -0.871  -6.589
  931    HB3  PHE2009           HB1      PHE2009 -10.360  -0.778  -7.723
  932    HD1  PHE2009           HD1      PHE2009  -9.201  -2.819  -4.825
  933    HD2  PHE2009           HD2      PHE2009 -12.490  -1.120  -6.905
  934    HE1  PHE2009           HE1      PHE2009 -10.710  -3.586  -3.047
  935    HE2  PHE2009           HE2      PHE2009 -14.011  -1.882  -5.138
  936    HZ   PHE2009           HZ       PHE2009 -13.166  -3.189  -3.265
  937    H    ASP2010           HN       ASP2010  -9.304  -5.021  -7.447
  938    HA   ASP2010           HA       ASP2010 -11.478  -5.498  -9.303
  939    HB2  ASP2010           HB2      ASP2010  -9.690  -7.106  -9.395
  940    HB3  ASP2010           HB1      ASP2010  -9.770  -7.368  -7.653
  941    H    GLU2011           HN       GLU2011 -13.515  -5.744  -8.718
  942    HA   GLU2011           HA       GLU2011 -14.179  -5.545  -5.867
  943    HB2  GLU2011           HB2      GLU2011 -16.448  -5.025  -6.572
  944    HB3  GLU2011           HB1      GLU2011 -15.300  -3.981  -7.394
  945    HG2  GLU2011           HG2      GLU2011 -15.513  -5.236  -9.422
  946    HG3  GLU2011           HG1      GLU2011 -16.485  -6.461  -8.614
  947    H    GLN2012           HN       GLN2012 -13.613  -8.051  -7.911
  948    HA   GLN2012           HA       GLN2012 -15.997  -9.576  -7.347
  949    HB2  GLN2012           HB2      GLN2012 -15.000  -9.636  -9.586
  950    HB3  GLN2012           HB1      GLN2012 -13.512 -10.280  -8.914
  951    HG2  GLN2012           HG2      GLN2012 -14.661 -12.312  -8.267
  952    HG3  GLN2012           HG1      GLN2012 -16.187 -11.654  -8.854
  953   HE21  GLN2012          HE21      GLN2012 -14.952 -10.409 -11.180
  954   HE22  GLN2012          HE22      GLN2012 -14.576 -11.682 -12.274
  955    H    THR2013           HN       THR2013 -12.583  -9.596  -6.518
  956    HA   THR2013           HA       THR2013 -13.378 -11.189  -4.208
  957    HB   THR2013           HB       THR2013 -12.123 -12.594  -5.842
  958    HG1  THR2013           HG1      THR2013 -11.788 -12.510  -3.315
  959   HG21  THR2013          HG21      THR2013 -10.663 -10.907  -6.829
  960   HG22  THR2013          HG22      THR2013  -9.708 -12.242  -6.188
  961   HG23  THR2013          HG23      THR2013  -9.809 -10.724  -5.297
  962    H    CYS2014           HN       CYS2014 -12.922  -8.327  -4.962
  963    HA   CYS2014           HA       CYS2014 -12.183  -6.386  -4.116
  964    HB2  CYS2014           HB2      CYS2014 -12.513  -7.991  -1.597
  965    HB3  CYS2014           HB1      CYS2014 -12.192  -6.254  -1.597
  966    H    THR2015           HN       THR2015 -10.182  -7.460  -5.250
  967    HA   THR2015           HA       THR2015  -7.945  -7.184  -3.400
  968    HB   THR2015           HB       THR2015  -8.031  -8.444  -6.134
  969    HG1  THR2015           HG1      THR2015  -8.861  -9.275  -3.772
  970   HG21  THR2015          HG21      THR2015  -5.854  -8.415  -4.021
  971   HG22  THR2015          HG22      THR2015  -5.802  -7.533  -5.549
  972   HG23  THR2015          HG23      THR2015  -5.797  -9.296  -5.549
  973    H    SER2016           HN       SER2016  -7.118  -5.254  -3.381
  974    HA   SER2016           HA       SER2016  -7.240  -3.502  -5.667
  975    HB2  SER2016           HB2      SER2016  -5.827  -3.067  -3.043
  976    HB3  SER2016           HB1      SER2016  -6.487  -1.859  -4.141
  977    HG   SER2016           HG       SER2016  -7.776  -3.519  -2.304
  978    H    TYR2017           HN       TYR2017  -5.583  -3.448  -7.139
  979    HA   TYR2017           HA       TYR2017  -3.028  -4.717  -6.452
  980    HB2  TYR2017           HB2      TYR2017  -4.205  -4.022  -9.149
  981    HB3  TYR2017           HB1      TYR2017  -2.660  -4.814  -8.882
  982    HD1  TYR2017           HD2      TYR2017  -2.580  -7.130  -8.108
  983    HD2  TYR2017           HD1      TYR2017  -6.274  -5.218  -8.974
  984    HE1  TYR2017           HE2      TYR2017  -3.689  -9.314  -8.190
  985    HE2  TYR2017           HE1      TYR2017  -7.395  -7.401  -9.062
  986    HH   TYR2017           HH       TYR2017  -5.860 -10.264  -7.978
  987    H    PHE2018           HN       PHE2018  -1.519  -3.299  -5.828
  988    HA   PHE2018           HA       PHE2018  -1.291  -0.805  -7.362
  989    HB2  PHE2018           HB2      PHE2018  -0.859  -1.088  -4.388
  990    HB3  PHE2018           HB1      PHE2018  -0.582   0.367  -5.336
  991    HD1  PHE2018           HD2      PHE2018  -2.566   1.359  -6.550
  992    HD2  PHE2018           HD1      PHE2018  -2.903  -1.515  -3.452
  993    HE1  PHE2018           HE2      PHE2018  -4.874   2.052  -6.161
  994    HE2  PHE2018           HE1      PHE2018  -5.220  -0.825  -3.056
  995    HZ   PHE2018           HZ       PHE2018  -6.238   0.890  -4.472
  996    H    SER2019           HN       SER2019   0.796  -0.071  -7.649
  997    HA   SER2019           HA       SER2019   2.952  -1.659  -6.581
  998    HB2  SER2019           HB2      SER2019   2.482  -1.223  -9.541
  999    HB3  SER2019           HB1      SER2019   3.970  -1.879  -8.869
 1000    HG   SER2019           HG       SER2019   1.773  -3.155  -7.932
 1001    H    TRP2020           HN       TRP2020   4.617  -0.382  -6.052
 1002    HA   TRP2020           HA       TRP2020   4.741   2.189  -7.357
 1003    HB2  TRP2020           HB2      TRP2020   3.545   2.510  -5.211
 1004    HB3  TRP2020           HB1      TRP2020   4.952   1.894  -4.358
 1005    HD1  TRP2020           HD1      TRP2020   5.356   4.176  -3.064
 1006    HE1  TRP2020           HE1      TRP2020   6.288   6.469  -3.795
 1007    HE3  TRP2020           HE3      TRP2020   5.102   3.644  -8.167
 1008    HZ2  TRP2020           HZ2      TRP2020   6.875   7.833  -6.165
 1009    HZ3  TRP2020           HZ3      TRP2020   5.881   5.496  -9.575
 1010    HH2  TRP2020           HH2      TRP2020   6.744   7.546  -8.592
 1011    H    HIS2021           HN       HIS2021   6.510   2.194  -8.338
 1012    HA   HIS2021           HA       HIS2021   8.902   0.898  -7.455
 1013    HB2  HIS2021           HB2      HIS2021   8.295   2.867  -9.673
 1014    HB3  HIS2021           HB1      HIS2021   9.928   2.341  -9.324
 1015    HD1  HIS2021           HD1      HIS2021   6.604   0.943 -10.525
 1016    HD2  HIS2021           HD2      HIS2021  10.647  -0.010 -10.520
 1017    HE1  HIS2021           HE1      HIS2021   6.845  -1.021 -12.060
 1018    HE2  HIS2021           HE2      HIS2021   9.175  -1.789 -11.682
 1019    H    THR2022           HN       THR2022   9.771   1.681  -5.669
 1020    HA   THR2022           HA       THR2022  10.282   4.522  -5.555
 1021    HB   THR2022           HB       THR2022   8.318   4.295  -4.171
 1022    HG1  THR2022           HG1      THR2022   9.217   5.583  -2.814
 1023   HG21  THR2022          HG21      THR2022   8.418   1.903  -3.696
 1024   HG22  THR2022          HG22      THR2022   8.249   2.827  -2.202
 1025   HG23  THR2022          HG23      THR2022   9.816   2.157  -2.653
 1026    H    SER2023           HN       SER2023  12.141   5.094  -4.476
 1027    HA   SER2023           HA       SER2023  14.289   3.337  -4.668
 1028    HB2  SER2023           HB2      SER2023  14.032   5.884  -3.157
 1029    HB3  SER2023           HB1      SER2023  15.523   5.240  -3.880
 1030    HG   SER2023           HG       SER2023  14.554   6.880  -5.150
 1031    H    LEU2024           HN       LEU2024  12.092   4.079  -2.097
 1032    HA   LEU2024           HA       LEU2024  13.752   3.309   0.111
 1033    HB2  LEU2024           HB2      LEU2024  10.778   3.750  -0.140
 1034    HB3  LEU2024           HB1      LEU2024  11.552   3.318   1.361
 1035    HG   LEU2024           HG       LEU2024  11.077   5.636   1.399
 1036   HD11  LEU2024          HD11      LEU2024  13.265   6.623   1.739
 1037   HD12  LEU2024          HD12      LEU2024  14.000   5.224   0.953
 1038   HD13  LEU2024          HD13      LEU2024  13.103   5.022   2.459
 1039   HD21  LEU2024          HD21      LEU2024  12.630   5.933  -1.176
 1040   HD22  LEU2024          HD22      LEU2024  11.976   7.258  -0.211
 1041   HD23  LEU2024          HD23      LEU2024  10.886   6.109  -0.986
 1042    H    ALA2025           HN       ALA2025  12.202   1.604  -2.251
 1043    HA   ALA2025           HA       ALA2025  11.796  -0.805  -0.604
 1044    HB1  ALA2025           HB1      ALA2025  10.233  -1.454  -2.353
 1045    HB2  ALA2025           HB2      ALA2025  10.654   0.017  -3.231
 1046    HB3  ALA2025           HB3      ALA2025   9.800   0.136  -1.687
 1047    H    CYS2026           HN       CYS2026  14.372   0.084  -1.682
 1048    HA   CYS2026           HA       CYS2026  14.572  -1.401  -4.135
 1049    HB2  CYS2026           HB2      CYS2026  15.684   0.849  -3.830
 1050    HB3  CYS2026           HB1      CYS2026  16.840   0.030  -2.776
 1051    H    GLU2027           HN       GLU2027  15.394  -3.340  -4.378
 1052    HA   GLU2027           HA       GLU2027  16.343  -4.608  -1.985
 1053    HB2  GLU2027           HB2      GLU2027  15.907  -6.691  -3.609
 1054    HB3  GLU2027           HB1      GLU2027  14.658  -5.992  -2.596
 1055    HG2  GLU2027           HG2      GLU2027  13.791  -6.431  -4.804
 1056    HG3  GLU2027           HG1      GLU2027  13.838  -4.696  -4.521
 1057    H    GLU2028           HN       GLU2028  17.135  -3.885  -5.281
 1058    HA   GLU2028           HA       GLU2028  19.883  -3.774  -4.624
 1059    HB2  GLU2028           HB2      GLU2028  19.614  -6.248  -4.847
 1060    HB3  GLU2028           HB1      GLU2028  19.058  -6.006  -6.499
 1061    HG2  GLU2028           HG2      GLU2028  21.368  -6.660  -6.467
 1062    HG3  GLU2028           HG1      GLU2028  21.166  -5.003  -7.065
 1063    H    GLU2029           HN       GLU2029  17.700  -4.415  -7.329
 1064    HA   GLU2029           HA       GLU2029  18.237  -1.953  -8.591
 1065    HB2  GLU2029           HB2      GLU2029  19.186  -3.037 -10.691
 1066    HB3  GLU2029           HB1      GLU2029  20.300  -2.977  -9.334
 1067    HG2  GLU2029           HG2      GLU2029  19.848  -5.311  -8.847
 1068    HG3  GLU2029           HG1      GLU2029  18.686  -5.377 -10.168
 1069    H    VAL2030           HN       VAL2030  16.669  -1.549 -10.025
 1070    HA   VAL2030           HA       VAL2030  14.156  -2.590  -9.620
 1071    HB   VAL2030           HB       VAL2030  15.013  -1.397 -12.262
 1072   HG11  VAL2030          HG11      VAL2030  12.784  -2.325 -12.320
 1073   HG12  VAL2030          HG12      VAL2030  12.714  -0.564 -12.383
 1074   HG13  VAL2030          HG13      VAL2030  12.338  -1.409 -10.880
 1075   HG21  VAL2030          HG21      VAL2030  14.394   0.792 -11.300
 1076   HG22  VAL2030          HG22      VAL2030  15.786   0.078 -10.502
 1077   HG23  VAL2030          HG23      VAL2030  14.201   0.026  -9.727
 1078    HA   PRO2031           HA       PRO2031  14.512  -6.389 -12.041
 1079    HB2  PRO2031           HB2      PRO2031  12.531  -7.710 -10.640
 1080    HB3  PRO2031           HB1      PRO2031  14.242  -7.734 -10.212
 1081    HG2  PRO2031           HG2      PRO2031  12.013  -6.391  -8.886
 1082    HG3  PRO2031           HG1      PRO2031  13.640  -6.725  -8.277
 1083    HD2  PRO2031           HD2      PRO2031  12.586  -4.240  -9.246
 1084    HD3  PRO2031           HD1      PRO2031  14.222  -4.574  -8.659
 1085    H    ARG2032           HN       ARG2032  11.397  -5.180 -10.856
 1086    HA   ARG2032           HA       ARG2032  10.330  -5.411 -13.533
 1087    HB2  ARG2032           HB2      ARG2032   8.140  -6.094 -12.474
 1088    HB3  ARG2032           HB1      ARG2032   9.413  -7.298 -12.343
 1089    HG2  ARG2032           HG2      ARG2032   9.836  -6.466 -10.017
 1090    HG3  ARG2032           HG1      ARG2032   8.399  -5.461 -10.186
 1091    HD2  ARG2032           HD2      ARG2032   8.471  -8.466 -10.437
 1092    HD3  ARG2032           HD1      ARG2032   7.975  -7.580  -9.002
 1093    HE   ARG2032           HE       ARG2032   6.489  -6.879 -11.352
 1094   HH11  ARG2032          HH11      ARG2032   6.704  -9.281  -8.681
 1095   HH12  ARG2032          HH12      ARG2032   5.064  -9.684  -8.781
 1096   HH21  ARG2032          HH21      ARG2032   4.262  -7.445 -11.418
 1097   HH22  ARG2032          HH22      ARG2032   3.627  -8.628 -10.337
  Start of MODEL   14
    1    H1   MET1885           HT1      MET1885  16.267  12.000   3.019
    2    H2   MET1885           HT2      MET1885  16.485  11.245   1.512
    3    H3   MET1885           HT3      MET1885  16.331  10.333   2.946
    4    HA   MET1885           HA       MET1885  14.292  12.216   2.015
    5    HB2  MET1885           HB2      MET1885  14.548  10.454   0.292
    6    HB3  MET1885           HB1      MET1885  14.315   9.225   1.523
    7    HG2  MET1885           HG2      MET1885  12.042  10.116   1.921
    8    HG3  MET1885           HG1      MET1885  12.294  11.248   0.593
    9    HE1  MET1885           HE1      MET1885  13.891   9.539  -1.539
   10    HE2  MET1885           HE2      MET1885  12.499  10.537  -1.956
   11    HE3  MET1885           HE3      MET1885  12.576   8.860  -2.498
   12    H    LYS1886           HN       LYS1886  14.138   8.939   3.481
   13    HA   LYS1886           HA       LYS1886  12.694   8.231   5.173
   14    HB2  LYS1886           HB2      LYS1886  14.871   9.768   6.611
   15    HB3  LYS1886           HB1      LYS1886  13.878   8.511   7.328
   16    HG2  LYS1886           HG2      LYS1886  15.720   8.083   4.978
   17    HG3  LYS1886           HG1      LYS1886  16.166   7.774   6.654
   18    HD2  LYS1886           HD2      LYS1886  14.458   6.074   6.830
   19    HD3  LYS1886           HD1      LYS1886  13.866   6.454   5.212
   20    HE2  LYS1886           HE2      LYS1886  15.934   5.679   4.224
   21    HE3  LYS1886           HE1      LYS1886  16.652   5.444   5.816
   22    HZ1  LYS1886           HZ1      LYS1886  15.822   3.326   4.784
   23    HZ2  LYS1886           HZ2      LYS1886  14.234   3.926   4.926
   24    HZ3  LYS1886           HZ3      LYS1886  15.174   3.706   6.272
   25    H    SER1887           HN       SER1887  10.662   9.162   5.095
   26    HA   SER1887           HA       SER1887  10.293  11.860   5.880
   27    HB2  SER1887           HB2      SER1887   8.982  10.822   4.067
   28    HB3  SER1887           HB1      SER1887   8.188   9.789   5.248
   29    HG   SER1887           HG       SER1887   8.093  12.604   5.045
   30    H    ASN1888           HN       ASN1888   8.954   8.814   7.288
   31    HA   ASN1888           HA       ASN1888   8.892  10.090   9.913
   32    HB2  ASN1888           HB2      ASN1888   6.801  10.722   8.916
   33    HB3  ASN1888           HB1      ASN1888   6.517   9.080   8.370
   34   HD21  ASN1888          HD21      ASN1888   4.650   8.862   9.375
   35   HD22  ASN1888          HD22      ASN1888   4.471   8.740  11.100
   36    H    VAL1889           HN       VAL1889   9.217   8.692  11.479
   37    HA   VAL1889           HA       VAL1889   9.047   5.829  10.838
   38    HB   VAL1889           HB       VAL1889  10.599   5.424  12.774
   39   HG11  VAL1889          HG11      VAL1889  12.659   6.175  11.696
   40   HG12  VAL1889          HG12      VAL1889  11.717   7.251  10.665
   41   HG13  VAL1889          HG13      VAL1889  11.513   5.503  10.536
   42   HG21  VAL1889          HG21      VAL1889  10.191   7.468  14.045
   43   HG22  VAL1889          HG22      VAL1889  10.943   8.421  12.765
   44   HG23  VAL1889          HG23      VAL1889  11.910   7.279  13.698
   45    H    GLN1890           HN       GLN1890   7.512   4.779  11.675
   46    HA   GLN1890           HA       GLN1890   5.920   5.982  13.819
   47    HB2  GLN1890           HB2      GLN1890   5.322   3.629  11.998
   48    HB3  GLN1890           HB1      GLN1890   4.253   4.177  13.283
   49    HG2  GLN1890           HG2      GLN1890   5.131   5.865  10.964
   50    HG3  GLN1890           HG1      GLN1890   3.649   4.913  11.000
   51   HE21  GLN1890          HE21      GLN1890   1.976   5.575  12.309
   52   HE22  GLN1890          HE22      GLN1890   1.898   7.189  12.925
   53    H    ASN1891           HN       ASN1891   6.616   2.603  13.078
   54    HA   ASN1891           HA       ASN1891   7.760   2.198  15.735
   55    HB2  ASN1891           HB2      ASN1891   5.497   0.473  14.653
   56    HB3  ASN1891           HB1      ASN1891   6.359   0.222  16.158
   57   HD21  ASN1891          HD21      ASN1891   5.894   1.568  17.913
   58   HD22  ASN1891          HD22      ASN1891   4.454   2.508  17.982
   59    H    ASP1892           HN       ASP1892   6.497   0.391  12.989
   60    HA   ASP1892           HA       ASP1892   9.135  -0.411  12.302
   61    HB2  ASP1892           HB2      ASP1892   8.510  -2.884  12.258
   62    HB3  ASP1892           HB1      ASP1892   8.797  -2.169  13.836
   63    H    CYS1893           HN       CYS1893   6.599  -2.472  11.153
   64    HA   CYS1893           HA       CYS1893   6.337  -3.109   9.006
   65    HB2  CYS1893           HB2      CYS1893   4.587  -1.355   9.252
   66    HB3  CYS1893           HB1      CYS1893   5.724  -0.156   8.647
   67    H    ARG1894           HN       ARG1894   8.560  -3.583   8.968
   68    HA   ARG1894           HA       ARG1894   9.921  -2.624   6.708
   69    HB2  ARG1894           HB2      ARG1894  12.004  -1.939   8.039
   70    HB3  ARG1894           HB1      ARG1894  10.673  -0.792   8.046
   71    HG2  ARG1894           HG2      ARG1894   9.998  -1.843  10.263
   72    HG3  ARG1894           HG1      ARG1894  11.588  -2.612  10.242
   73    HD2  ARG1894           HD2      ARG1894  11.293   0.344   9.862
   74    HD3  ARG1894           HD1      ARG1894  11.276  -0.356  11.470
   75    HE   ARG1894           HE       ARG1894  13.508  -1.374  10.546
   76   HH11  ARG1894          HH11      ARG1894  12.465   1.832   9.639
   77   HH12  ARG1894          HH12      ARG1894  13.808   2.688  10.247
   78   HH21  ARG1894          HH21      ARG1894  15.480  -0.237  11.399
   79   HH22  ARG1894          HH22      ARG1894  15.579   1.467  11.268
   80    H    VAL1895           HN       VAL1895  11.539  -4.074   6.128
   81    HA   VAL1895           HA       VAL1895  12.032  -6.317   7.897
   82    HB   VAL1895           HB       VAL1895  10.021  -6.986   6.600
   83   HG11  VAL1895          HG11      VAL1895  10.122  -7.398   4.201
   84   HG12  VAL1895          HG12      VAL1895  11.715  -6.651   4.145
   85   HG13  VAL1895          HG13      VAL1895  10.298  -5.692   4.606
   86   HG21  VAL1895          HG21      VAL1895  11.537  -8.749   7.281
   87   HG22  VAL1895          HG22      VAL1895  12.493  -8.512   5.815
   88   HG23  VAL1895          HG23      VAL1895  10.844  -9.120   5.697
   89    H    THR1896           HN       THR1896  14.001  -7.298   7.525
   90    HA   THR1896           HA       THR1896  15.832  -5.697   5.960
   91    HB   THR1896           HB       THR1896  16.478  -8.086   7.678
   92    HG1  THR1896           HG1      THR1896  15.311  -6.793   8.970
   93   HG21  THR1896          HG21      THR1896  18.607  -6.883   7.970
   94   HG22  THR1896          HG22      THR1896  17.998  -5.558   6.979
   95   HG23  THR1896          HG23      THR1896  18.270  -7.142   6.256
   96    H    ASN1897           HN       ASN1897  16.749  -6.422   4.084
   97    HA   ASN1897           HA       ASN1897  16.388  -9.249   3.491
   98    HB2  ASN1897           HB2      ASN1897  15.021  -7.866   2.004
   99    HB3  ASN1897           HB1      ASN1897  16.453  -6.959   1.529
  100   HD21  ASN1897          HD21      ASN1897  16.145  -7.518  -0.587
  101   HD22  ASN1897          HD22      ASN1897  16.405  -9.088  -1.207
  102    HA   PRO1898           HA       PRO1898  20.811  -8.714   4.012
  103    HB2  PRO1898           HB2      PRO1898  21.330 -11.326   4.453
  104    HB3  PRO1898           HB1      PRO1898  20.632 -10.278   5.692
  105    HG2  PRO1898           HG2      PRO1898  19.257 -12.204   3.859
  106    HG3  PRO1898           HG1      PRO1898  19.036 -11.976   5.604
  107    HD2  PRO1898           HD2      PRO1898  17.351 -10.910   3.794
  108    HD3  PRO1898           HD1      PRO1898  17.742 -10.087   5.320
  109    H    ALA1899           HN       ALA1899  19.038 -10.376   1.639
  110    HA   ALA1899           HA       ALA1899  21.193 -11.480   0.169
  111    HB1  ALA1899           HB1      ALA1899  18.880 -12.226  -0.158
  112    HB2  ALA1899           HB2      ALA1899  19.588 -11.666  -1.673
  113    HB3  ALA1899           HB3      ALA1899  18.456 -10.636  -0.797
  114    H    THR1900           HN       THR1900  19.390  -8.433  -0.053
  115    HA   THR1900           HA       THR1900  21.204  -7.425  -2.090
  116    HB   THR1900           HB       THR1900  19.060  -5.835  -0.666
  117    HG1  THR1900           HG1      THR1900  18.789  -7.746  -2.759
  118   HG21  THR1900          HG21      THR1900  18.888  -4.719  -2.838
  119   HG22  THR1900          HG22      THR1900  20.115  -5.798  -3.500
  120   HG23  THR1900          HG23      THR1900  20.543  -4.646  -2.233
  121    H    GLY1901           HN       GLY1901  20.687  -7.297   1.340
  122    HA2  GLY1901           HA2      GLY1901  22.041  -6.373   2.993
  123    HA3  GLY1901           HA1      GLY1901  22.987  -5.567   1.734
  124    H    HIS1902           HN       HIS1902  19.687  -5.364   1.407
  125    HA   HIS1902           HA       HIS1902  19.706  -2.558   2.230
  126    HB2  HIS1902           HB2      HIS1902  19.485  -2.807  -0.191
  127    HB3  HIS1902           HB1      HIS1902  18.142  -3.915   0.020
  128    HD1  HIS1902           HD1      HIS1902  16.064  -2.782  -0.647
  129    HD2  HIS1902           HD2      HIS1902  18.656  -0.162   1.245
  130    HE1  HIS1902           HE1      HIS1902  14.829  -0.607  -0.474
  131    HE2  HIS1902           HE2      HIS1902  16.306   0.845   0.900
  132    H    LEU1903           HN       LEU1903  18.355  -1.991   3.706
  133    HA   LEU1903           HA       LEU1903  16.449  -3.860   4.832
  134    HB2  LEU1903           HB2      LEU1903  17.783  -2.489   6.329
  135    HB3  LEU1903           HB1      LEU1903  17.272  -1.032   5.512
  136    HG   LEU1903           HG       LEU1903  14.963  -1.419   6.345
  137   HD11  LEU1903          HD11      LEU1903  14.601  -3.026   8.139
  138   HD12  LEU1903          HD12      LEU1903  16.239  -3.640   7.918
  139   HD13  LEU1903          HD13      LEU1903  15.047  -3.819   6.628
  140   HD21  LEU1903          HD21      LEU1903  16.472   0.072   7.523
  141   HD22  LEU1903          HD22      LEU1903  17.108  -1.282   8.454
  142   HD23  LEU1903          HD23      LEU1903  15.429  -0.782   8.659
  143    H    PHE1904           HN       PHE1904  14.279  -3.798   4.337
  144    HA   PHE1904           HA       PHE1904  13.429  -1.680   2.541
  145    HB2  PHE1904           HB2      PHE1904  12.061  -4.203   3.473
  146    HB3  PHE1904           HB1      PHE1904  11.311  -3.020   2.421
  147    HD1  PHE1904           HD2      PHE1904  12.938  -2.469   0.293
  148    HD2  PHE1904           HD1      PHE1904  12.767  -6.108   2.481
  149    HE1  PHE1904           HE2      PHE1904  13.763  -3.685  -1.673
  150    HE2  PHE1904           HE1      PHE1904  13.574  -7.332   0.520
  151    HZ   PHE1904           HZ       PHE1904  14.083  -6.121  -1.567
  152    H    ASP1905           HN       ASP1905  13.021   0.008   3.657
  153    HA   ASP1905           HA       ASP1905  11.150  -0.168   5.869
  154    HB2  ASP1905           HB2      ASP1905  13.140   0.199   7.044
  155    HB3  ASP1905           HB1      ASP1905  13.789   1.259   5.801
  156    H    LEU1906           HN       LEU1906   9.469   0.775   5.245
  157    HA   LEU1906           HA       LEU1906   9.627   2.836   3.211
  158    HB2  LEU1906           HB2      LEU1906   7.224   1.350   4.275
  159    HB3  LEU1906           HB1      LEU1906   7.244   2.420   2.887
  160    HG   LEU1906           HG       LEU1906   8.765  -0.188   3.071
  161   HD11  LEU1906          HD11      LEU1906   6.242   0.478   1.593
  162   HD12  LEU1906          HD12      LEU1906   6.393  -0.613   2.979
  163   HD13  LEU1906          HD13      LEU1906   7.168  -1.010   1.438
  164   HD21  LEU1906          HD21      LEU1906   9.124   0.119   0.667
  165   HD22  LEU1906          HD22      LEU1906   9.851   1.410   1.621
  166   HD23  LEU1906          HD23      LEU1906   8.339   1.699   0.758
  167    H    THR1907           HN       THR1907  10.511   4.321   4.852
  168    HA   THR1907           HA       THR1907   8.785   5.295   6.894
  169    HB   THR1907           HB       THR1907  10.830   7.030   6.739
  170    HG1  THR1907           HG1      THR1907  12.182   4.712   6.161
  171   HG21  THR1907          HG21      THR1907  11.921   5.588   8.380
  172   HG22  THR1907          HG22      THR1907  10.918   4.241   7.824
  173   HG23  THR1907          HG23      THR1907  10.169   5.613   8.650
  174    H    SER1908           HN       SER1908   9.701   6.273   3.641
  175    HA   SER1908           HA       SER1908   8.609   8.869   3.757
  176    HB2  SER1908           HB2      SER1908   8.977   7.113   1.351
  177    HB3  SER1908           HB1      SER1908   9.090   8.876   1.448
  178    HG   SER1908           HG       SER1908  11.117   8.126   1.451
  179    H    LEU1909           HN       LEU1909   7.317   5.666   3.297
  180    HA   LEU1909           HA       LEU1909   4.959   6.460   2.023
  181    HB2  LEU1909           HB2      LEU1909   6.276   4.035   2.988
  182    HB3  LEU1909           HB1      LEU1909   4.569   3.979   2.680
  183    HG   LEU1909           HG       LEU1909   5.185   4.813   0.302
  184   HD11  LEU1909          HD11      LEU1909   7.940   4.005   1.198
  185   HD12  LEU1909          HD12      LEU1909   7.406   5.633   0.787
  186   HD13  LEU1909          HD13      LEU1909   7.459   4.383  -0.456
  187   HD21  LEU1909          HD21      LEU1909   5.817   2.602  -0.483
  188   HD22  LEU1909          HD22      LEU1909   4.528   2.534   0.720
  189   HD23  LEU1909          HD23      LEU1909   6.186   2.122   1.173
  190    H    LYS1910           HN       LYS1910   5.990   5.287   5.199
  191    HA   LYS1910           HA       LYS1910   3.355   5.555   6.250
  192    HB2  LYS1910           HB2      LYS1910   4.361   5.162   8.490
  193    HB3  LYS1910           HB1      LYS1910   4.791   3.929   7.322
  194    HG2  LYS1910           HG2      LYS1910   6.995   4.814   7.109
  195    HG3  LYS1910           HG1      LYS1910   6.571   6.231   8.068
  196    HD2  LYS1910           HD2      LYS1910   7.759   4.791   9.511
  197    HD3  LYS1910           HD1      LYS1910   6.052   4.695   9.938
  198    HE2  LYS1910           HE2      LYS1910   6.945   2.464   9.981
  199    HE3  LYS1910           HE1      LYS1910   5.855   2.615   8.610
  200    HZ1  LYS1910           HZ1      LYS1910   7.880   1.415   8.006
  201    HZ2  LYS1910           HZ2      LYS1910   8.801   2.677   8.576
  202    HZ3  LYS1910           HZ3      LYS1910   7.848   2.910   7.177
  203    H    ARG1911           HN       ARG1911   2.476   7.379   6.297
  204    HA   ARG1911           HA       ARG1911   3.917   9.655   7.411
  205    HB2  ARG1911           HB2      ARG1911   2.766  11.026   5.606
  206    HB3  ARG1911           HB1      ARG1911   4.085   9.985   5.083
  207    HG2  ARG1911           HG2      ARG1911   2.124   8.280   4.691
  208    HG3  ARG1911           HG1      ARG1911   1.178   9.762   4.571
  209    HD2  ARG1911           HD2      ARG1911   3.687   9.213   3.013
  210    HD3  ARG1911           HD1      ARG1911   2.070   8.897   2.411
  211    HE   ARG1911           HE       ARG1911   1.829  11.411   2.990
  212   HH11  ARG1911          HH11      ARG1911   4.704   9.862   1.606
  213   HH12  ARG1911          HH12      ARG1911   5.053  11.095   0.504
  214   HH21  ARG1911          HH21      ARG1911   2.268  13.144   1.452
  215   HH22  ARG1911          HH22      ARG1911   3.601  13.031   0.394
  216    H    GLU1912           HN       GLU1912   2.288  11.486   7.806
  217    HA   GLU1912           HA       GLU1912   0.483  10.350   9.693
  218    HB2  GLU1912           HB2      GLU1912   1.845  12.410  10.079
  219    HB3  GLU1912           HB1      GLU1912   0.786  13.256   8.958
  220    HG2  GLU1912           HG2      GLU1912   0.153  13.715  11.240
  221    HG3  GLU1912           HG1      GLU1912  -1.116  12.809  10.417
  222    H    SER1913           HN       SER1913   0.089  11.767   6.510
  223    HA   SER1913           HA       SER1913  -2.787  11.586   6.925
  224    HB2  SER1913           HB2      SER1913  -1.907  13.741   6.018
  225    HB3  SER1913           HB1      SER1913  -1.307  12.869   4.610
  226    HG   SER1913           HG       SER1913  -3.953  13.290   5.455
  227    H    GLY1914           HN       GLY1914  -0.518  10.850   4.244
  228    HA2  GLY1914           HA2      GLY1914  -0.464   8.309   3.913
  229    HA3  GLY1914           HA1      GLY1914  -2.205   8.511   3.680
  230    H    TYR1915           HN       TYR1915  -1.718   7.512   1.605
  231    HA   TYR1915           HA       TYR1915  -0.705   9.406  -0.370
  232    HB2  TYR1915           HB2      TYR1915  -0.696   6.408  -0.281
  233    HB3  TYR1915           HB1      TYR1915  -0.630   7.269  -1.807
  234    HD1  TYR1915           HD1      TYR1915   1.081   6.783   1.404
  235    HD2  TYR1915           HD2      TYR1915   1.427   8.134  -2.601
  236    HE1  TYR1915           HE1      TYR1915   3.521   6.973   1.691
  237    HE2  TYR1915           HE2      TYR1915   3.863   8.331  -2.330
  238    HH   TYR1915           HH       TYR1915   5.509   6.952   0.270
  239    H    THR1916           HN       THR1916  -1.842   9.448  -2.365
  240    HA   THR1916           HA       THR1916  -4.513   8.325  -2.432
  241    HB   THR1916           HB       THR1916  -4.766  10.526  -1.262
  242    HG1  THR1916           HG1      THR1916  -6.504  10.140  -2.332
  243   HG21  THR1916          HG21      THR1916  -2.841  11.671  -2.206
  244   HG22  THR1916          HG22      THR1916  -4.306  12.605  -2.531
  245   HG23  THR1916          HG23      THR1916  -3.567  11.624  -3.806
  246    H    ILE1917           HN       ILE1917  -5.215   7.873  -4.072
  247    HA   ILE1917           HA       ILE1917  -4.028   8.672  -6.561
  248    HB   ILE1917           HB       ILE1917  -4.296   6.211  -7.160
  249   HG12  ILE1917          HG12      ILE1917  -3.692   5.940  -4.220
  250   HG13  ILE1917          HG11      ILE1917  -5.090   5.319  -5.083
  251   HG21  ILE1917          HG21      ILE1917  -1.841   7.255  -5.764
  252   HG22  ILE1917          HG22      ILE1917  -2.231   7.385  -7.478
  253   HG23  ILE1917          HG23      ILE1917  -1.857   5.809  -6.774
  254   HD11  ILE1917          HD11      ILE1917  -3.547   3.545  -4.541
  255   HD12  ILE1917          HD12      ILE1917  -2.247   4.404  -5.359
  256   HD13  ILE1917          HD13      ILE1917  -3.607   3.765  -6.296
  257    H    THR1918           HN       THR1918  -5.396   7.798  -8.356
  258    HA   THR1918           HA       THR1918  -8.173   8.120  -7.569
  259    HB   THR1918           HB       THR1918  -7.002   7.891 -10.358
  260    HG1  THR1918           HG1      THR1918  -6.542   9.729  -8.541
  261   HG21  THR1918          HG21      THR1918  -9.027   9.158 -10.987
  262   HG22  THR1918          HG22      THR1918  -9.534   9.176  -9.295
  263   HG23  THR1918          HG23      THR1918  -9.461   7.650 -10.174
  264    H    ASP1919           HN       ASP1919  -9.734   6.560  -8.061
  265    HA   ASP1919           HA       ASP1919  -8.774   3.842  -8.078
  266    HB2  ASP1919           HB2      ASP1919 -10.933   3.238  -7.376
  267    HB3  ASP1919           HB1      ASP1919 -10.744   4.818  -6.642
  268    H    SER1920           HN       SER1920 -11.109   2.829  -9.419
  269    HA   SER1920           HA       SER1920 -10.386   2.288 -11.955
  270    HB2  SER1920           HB2      SER1920 -12.159   1.179 -10.661
  271    HB3  SER1920           HB1      SER1920 -13.180   2.597 -10.849
  272    HG   SER1920           HG       SER1920 -13.822   1.246 -12.316
  273    H    HIS1921           HN       HIS1921 -12.204   5.276 -10.876
  274    HA   HIS1921           HA       HIS1921 -11.495   6.658 -13.276
  275    HB2  HIS1921           HB2      HIS1921 -13.211   5.013 -14.157
  276    HB3  HIS1921           HB1      HIS1921 -14.414   5.897 -13.237
  277    HD1  HIS1921           HD1      HIS1921 -12.113   6.239 -16.171
  278    HD2  HIS1921           HD2      HIS1921 -15.319   8.232 -14.458
  279    HE1  HIS1921           HE1      HIS1921 -12.783   7.998 -17.833
  280    HE2  HIS1921           HE2      HIS1921 -14.922   8.905 -16.916
  281    H    ASN1922           HN       ASN1922 -12.789   6.841 -10.111
  282    HA   ASN1922           HA       ASN1922 -13.433   9.670 -10.581
  283    HB2  ASN1922           HB2      ASN1922 -15.501   8.305 -10.863
  284    HB3  ASN1922           HB1      ASN1922 -15.309   7.803  -9.204
  285   HD21  ASN1922          HD21      ASN1922 -16.022  10.463 -11.243
  286   HD22  ASN1922          HD22      ASN1922 -16.696  11.483 -10.000
  287    H    ARG1923           HN       ARG1923 -13.570   7.087  -8.336
  288    HA   ARG1923           HA       ARG1923 -13.478   8.792  -6.032
  289    HB2  ARG1923           HB2      ARG1923 -13.194   5.800  -6.101
  290    HB3  ARG1923           HB1      ARG1923 -13.637   6.800  -4.727
  291    HG2  ARG1923           HG2      ARG1923 -15.267   6.230  -7.185
  292    HG3  ARG1923           HG1      ARG1923 -15.595   5.726  -5.529
  293    HD2  ARG1923           HD2      ARG1923 -15.768   8.168  -4.943
  294    HD3  ARG1923           HD1      ARG1923 -15.697   8.510  -6.671
  295    HE   ARG1923           HE       ARG1923 -17.665   6.572  -5.977
  296   HH11  ARG1923          HH11      ARG1923 -17.139   9.973  -6.674
  297   HH12  ARG1923          HH12      ARG1923 -18.741  10.468  -6.416
  298   HH21  ARG1923          HH21      ARG1923 -19.859   7.144  -5.633
  299   HH22  ARG1923          HH22      ARG1923 -20.389   8.754  -5.792
  300    H    LYS1924           HN       LYS1924 -11.943   8.346  -4.285
  301    HA   LYS1924           HA       LYS1924  -9.286   8.024  -5.390
  302    HB2  LYS1924           HB2      LYS1924 -10.310   9.446  -2.970
  303    HB3  LYS1924           HB1      LYS1924  -8.611   9.046  -3.174
  304    HG2  LYS1924           HG2      LYS1924  -8.547  10.362  -5.222
  305    HG3  LYS1924           HG1      LYS1924 -10.258  10.763  -5.009
  306    HD2  LYS1924           HD2      LYS1924  -9.833  11.941  -3.023
  307    HD3  LYS1924           HD1      LYS1924  -8.200  11.292  -2.902
  308    HE2  LYS1924           HE2      LYS1924  -7.584  12.544  -4.922
  309    HE3  LYS1924           HE1      LYS1924  -9.218  13.215  -4.976
  310    HZ1  LYS1924           HZ1      LYS1924  -7.420  13.492  -2.657
  311    HZ2  LYS1924           HZ2      LYS1924  -8.865  14.316  -2.915
  312    HZ3  LYS1924           HZ3      LYS1924  -7.518  14.660  -3.867
  313    H    ILE1925           HN       ILE1925  -7.936   6.652  -4.643
  314    HA   ILE1925           HA       ILE1925  -8.867   4.646  -2.750
  315    HB   ILE1925           HB       ILE1925  -6.276   4.639  -4.348
  316   HG12  ILE1925          HG12      ILE1925  -8.894   3.289  -5.021
  317   HG13  ILE1925          HG11      ILE1925  -8.219   4.688  -5.847
  318   HG21  ILE1925          HG21      ILE1925  -6.318   3.201  -2.370
  319   HG22  ILE1925          HG22      ILE1925  -6.314   2.231  -3.845
  320   HG23  ILE1925          HG23      ILE1925  -7.811   2.448  -2.939
  321   HD11  ILE1925          HD11      ILE1925  -6.965   1.932  -5.757
  322   HD12  ILE1925          HD12      ILE1925  -6.299   3.324  -6.590
  323   HD13  ILE1925          HD13      ILE1925  -7.815   2.617  -7.138
  324    H    GLU1926           HN       GLU1926  -8.663   5.649  -0.956
  325    HA   GLU1926           HA       GLU1926  -6.334   7.258  -0.286
  326    HB2  GLU1926           HB2      GLU1926  -8.793   6.529   1.312
  327    HB3  GLU1926           HB1      GLU1926  -7.551   7.657   1.836
  328    HG2  GLU1926           HG2      GLU1926  -9.138   8.044  -0.687
  329    HG3  GLU1926           HG1      GLU1926  -9.670   8.648   0.876
  330    H    LEU1927           HN       LEU1927  -4.585   6.175   0.271
  331    HA   LEU1927           HA       LEU1927  -4.834   3.977   2.127
  332    HB2  LEU1927           HB2      LEU1927  -3.008   2.812   0.631
  333    HB3  LEU1927           HB1      LEU1927  -4.714   2.549   0.382
  334    HG   LEU1927           HG       LEU1927  -4.660   4.160  -1.513
  335   HD11  LEU1927          HD11      LEU1927  -1.682   4.184  -1.106
  336   HD12  LEU1927          HD12      LEU1927  -2.789   5.540  -0.853
  337   HD13  LEU1927          HD13      LEU1927  -2.570   4.869  -2.470
  338   HD21  LEU1927          HD21      LEU1927  -2.696   1.903  -1.685
  339   HD22  LEU1927          HD22      LEU1927  -3.443   2.722  -3.057
  340   HD23  LEU1927          HD23      LEU1927  -4.438   1.804  -1.925
  341    H    ASN1928           HN       ASN1928  -2.994   3.490   3.297
  342    HA   ASN1928           HA       ASN1928  -0.736   5.293   2.964
  343    HB2  ASN1928           HB2      ASN1928  -2.347   6.321   4.627
  344    HB3  ASN1928           HB1      ASN1928  -2.089   4.914   5.649
  345   HD21  ASN1928          HD21      ASN1928  -1.299   6.275   7.263
  346   HD22  ASN1928          HD22      ASN1928   0.269   6.989   7.190
  347    H    VAL1929           HN       VAL1929   1.121   4.314   3.424
  348    HA   VAL1929           HA       VAL1929   0.834   1.475   4.080
  349    HB   VAL1929           HB       VAL1929   3.019   2.853   2.488
  350   HG11  VAL1929          HG11      VAL1929   3.901   0.605   2.067
  351   HG12  VAL1929          HG12      VAL1929   2.691  -0.076   3.152
  352   HG13  VAL1929          HG13      VAL1929   3.943   0.993   3.788
  353   HG21  VAL1929          HG21      VAL1929   0.926   2.606   1.280
  354   HG22  VAL1929          HG22      VAL1929   0.880   0.891   1.684
  355   HG23  VAL1929          HG23      VAL1929   2.154   1.516   0.634
  356    H    CYS1930           HN       CYS1930   1.634   0.717   5.779
  357    HA   CYS1930           HA       CYS1930   2.923   0.257   7.564
  358    HB2  CYS1930           HB2      CYS1930   4.716   2.408   6.469
  359    HB3  CYS1930           HB1      CYS1930   5.097   1.458   7.898
  360    H    ALA1931           HN       ALA1931   0.996   2.702   7.322
  361    HA   ALA1931           HA       ALA1931   0.954   3.183  10.128
  362    HB1  ALA1931           HB1      ALA1931   1.396   5.489   8.194
  363    HB2  ALA1931           HB2      ALA1931   2.551   4.932   9.403
  364    HB3  ALA1931           HB3      ALA1931   1.020   5.650   9.910
  365    H    GLU1932           HN       GLU1932  -1.115   3.950  10.712
  366    HA   GLU1932           HA       GLU1932  -3.298   3.101   9.288
  367    HB2  GLU1932           HB2      GLU1932  -3.359   5.500  11.121
  368    HB3  GLU1932           HB1      GLU1932  -4.696   4.437  10.727
  369    HG2  GLU1932           HG2      GLU1932  -4.134   3.705  12.815
  370    HG3  GLU1932           HG1      GLU1932  -3.188   2.607  11.811
  371    H    ALA1933           HN       ALA1933  -4.743   3.958   7.797
  372    HA   ALA1933           HA       ALA1933  -3.705   6.150   6.253
  373    HB1  ALA1933           HB1      ALA1933  -6.178   4.496   5.765
  374    HB2  ALA1933           HB2      ALA1933  -4.577   4.168   5.099
  375    HB3  ALA1933           HB3      ALA1933  -5.443   5.634   4.636
  376    H    LYS1934           HN       LYS1934  -3.956   7.912   7.373
  377    HA   LYS1934           HA       LYS1934  -6.550   8.609   8.485
  378    HB2  LYS1934           HB2      LYS1934  -4.415   8.832   9.777
  379    HB3  LYS1934           HB1      LYS1934  -3.876  10.029   8.619
  380    HG2  LYS1934           HG2      LYS1934  -5.630  11.547   9.336
  381    HG3  LYS1934           HG1      LYS1934  -6.272  10.314  10.429
  382    HD2  LYS1934           HD2      LYS1934  -3.488  11.475  10.591
  383    HD3  LYS1934           HD1      LYS1934  -4.856  12.003  11.575
  384    HE2  LYS1934           HE2      LYS1934  -5.032   9.830  12.599
  385    HE3  LYS1934           HE1      LYS1934  -3.809   9.173  11.514
  386    HZ1  LYS1934           HZ1      LYS1934  -3.040   9.748  13.810
  387    HZ2  LYS1934           HZ2      LYS1934  -3.208  11.391  13.397
  388    HZ3  LYS1934           HZ3      LYS1934  -2.140  10.415  12.549
  389    H    SER1935           HN       SER1935  -5.862   8.484   5.583
  390    HA   SER1935           HA       SER1935  -5.921  11.168   4.612
  391    HB2  SER1935           HB2      SER1935  -6.524   8.590   3.142
  392    HB3  SER1935           HB1      SER1935  -6.154  10.148   2.404
  393    HG   SER1935           HG       SER1935  -4.226   9.452   4.183
  394    H    SER1936           HN       SER1936  -8.367   8.755   3.574
  395    HA   SER1936           HA       SER1936 -10.412  10.550   4.652
  396    HB2  SER1936           HB2      SER1936 -10.553   8.922   2.100
  397    HB3  SER1936           HB1      SER1936 -11.874   9.884   2.767
  398    HG   SER1936           HG       SER1936  -9.376  10.747   1.757
  399    H    CYS1937           HN       CYS1937  -8.968   7.836   5.306
  400    HA   CYS1937           HA       CYS1937 -11.352   6.295   5.924
  401    HB2  CYS1937           HB2      CYS1937  -8.495   5.572   6.653
  402    HB3  CYS1937           HB1      CYS1937  -9.856   4.488   6.405
  403    H    ALA1938           HN       ALA1938 -10.544   5.287   8.532
  404    HA   ALA1938           HA       ALA1938 -10.181   7.819   9.927
  405    HB1  ALA1938           HB1      ALA1938 -11.513   5.337  11.013
  406    HB2  ALA1938           HB2      ALA1938 -12.355   6.754  10.385
  407    HB3  ALA1938           HB3      ALA1938 -11.360   6.889  11.836
  408    H    ASN1939           HN       ASN1939  -9.786   4.626  11.399
  409    HA   ASN1939           HA       ASN1939  -7.022   5.298  11.677
  410    HB2  ASN1939           HB2      ASN1939  -8.809   4.083  13.774
  411    HB3  ASN1939           HB1      ASN1939  -7.056   4.103  13.907
  412   HD21  ASN1939          HD21      ASN1939  -6.042   5.970  14.468
  413   HD22  ASN1939          HD22      ASN1939  -6.860   7.430  14.883
  414    H    GLY1940           HN       GLY1940  -9.327   2.648  11.888
  415    HA2  GLY1940           HA2      GLY1940  -7.432   0.570  11.927
  416    HA3  GLY1940           HA1      GLY1940  -9.141   0.395  11.597
  417    H    ALA1941           HN       ALA1941  -9.052   2.117   9.219
  418    HA   ALA1941           HA       ALA1941  -8.279   0.013   7.402
  419    HB1  ALA1941           HB1      ALA1941  -9.273   1.388   5.666
  420    HB2  ALA1941           HB2      ALA1941  -9.408   2.740   6.785
  421    HB3  ALA1941           HB3      ALA1941 -10.360   1.276   7.054
  422    H    ALA1942           HN       ALA1942  -6.668   0.051   5.902
  423    HA   ALA1942           HA       ALA1942  -4.839   2.351   6.039
  424    HB1  ALA1942           HB1      ALA1942  -3.804   0.295   6.925
  425    HB2  ALA1942           HB2      ALA1942  -3.000   0.870   5.460
  426    HB3  ALA1942           HB3      ALA1942  -4.109  -0.502   5.382
  427    H    VAL1943           HN       VAL1943  -6.997   0.675   4.188
  428    HA   VAL1943           HA       VAL1943  -6.366   2.384   2.005
  429    HB   VAL1943           HB       VAL1943  -5.007   0.340   1.500
  430   HG11  VAL1943          HG11      VAL1943  -7.535  -1.175   1.567
  431   HG12  VAL1943          HG12      VAL1943  -6.150  -1.299   2.659
  432   HG13  VAL1943          HG13      VAL1943  -5.981  -1.751   0.961
  433   HG21  VAL1943          HG21      VAL1943  -7.377   0.659  -0.333
  434   HG22  VAL1943          HG22      VAL1943  -5.847  -0.112  -0.756
  435   HG23  VAL1943          HG23      VAL1943  -5.892   1.611  -0.379
  436    H    CYS1944           HN       CYS1944  -8.218   3.319   1.613
  437    HA   CYS1944           HA       CYS1944 -10.601   1.637   1.573
  438    HB2  CYS1944           HB2      CYS1944 -11.930   3.278   2.777
  439    HB3  CYS1944           HB1      CYS1944 -10.564   2.778   3.757
  440    H    ILE1945           HN       ILE1945 -12.037   2.037   0.052
  441    HA   ILE1945           HA       ILE1945 -11.351   3.968  -2.035
  442    HB   ILE1945           HB       ILE1945 -13.620   1.944  -1.934
  443   HG12  ILE1945          HG12      ILE1945 -11.480   0.750  -1.811
  444   HG13  ILE1945          HG11      ILE1945 -12.258   0.472  -3.362
  445   HG21  ILE1945          HG21      ILE1945 -12.447   3.438  -4.276
  446   HG22  ILE1945          HG22      ILE1945 -14.016   3.730  -3.526
  447   HG23  ILE1945          HG23      ILE1945 -13.712   2.211  -4.371
  448   HD11  ILE1945          HD11      ILE1945 -10.742   2.086  -4.398
  449   HD12  ILE1945          HD12      ILE1945  -9.865   0.776  -3.605
  450   HD13  ILE1945          HD13      ILE1945  -9.970   2.360  -2.835
  451    H    THR1946           HN       THR1946 -12.226   6.000  -1.720
  452    HA   THR1946           HA       THR1946 -14.507   6.156   0.074
  453    HB   THR1946           HB       THR1946 -13.139   8.547  -1.165
  454    HG1  THR1946           HG1      THR1946 -11.952   6.606   0.278
  455   HG21  THR1946          HG21      THR1946 -15.145   8.829   0.299
  456   HG22  THR1946          HG22      THR1946 -13.682   9.547   0.985
  457   HG23  THR1946          HG23      THR1946 -14.262   8.001   1.590
  458    H    ASP1947           HN       ASP1947 -16.345   5.667  -1.035
  459    HA   ASP1947           HA       ASP1947 -16.695   6.854  -3.697
  460    HB2  ASP1947           HB2      ASP1947 -16.913   4.376  -3.611
  461    HB3  ASP1947           HB1      ASP1947 -18.230   4.549  -2.452
  462    H    GLY1948           HN       GLY1948 -17.380   8.839  -3.125
  463    HA2  GLY1948           HA2      GLY1948 -18.968  10.424  -2.639
  464    HA3  GLY1948           HA1      GLY1948 -20.151   9.119  -2.554
  465    HA   PRO1949           HA       PRO1949 -19.860  10.094   1.839
  466    HB2  PRO1949           HB2      PRO1949 -22.379   8.816   2.253
  467    HB3  PRO1949           HB1      PRO1949 -22.069  10.548   2.141
  468    HG2  PRO1949           HG2      PRO1949 -23.524   9.052   0.297
  469    HG3  PRO1949           HG1      PRO1949 -22.826  10.652   0.001
  470    HD2  PRO1949           HD2      PRO1949 -21.805   7.957  -0.777
  471    HD3  PRO1949           HD1      PRO1949 -21.711   9.498  -1.657
  472    H    LYS1950           HN       LYS1950 -19.771   7.226   0.170
  473    HA   LYS1950           HA       LYS1950 -19.905   5.483   2.508
  474    HB2  LYS1950           HB2      LYS1950 -19.790   4.838  -0.443
  475    HB3  LYS1950           HB1      LYS1950 -19.950   3.666   0.855
  476    HG2  LYS1950           HG2      LYS1950 -22.105   4.580   1.455
  477    HG3  LYS1950           HG1      LYS1950 -21.948   5.827   0.217
  478    HD2  LYS1950           HD2      LYS1950 -23.378   4.050  -0.597
  479    HD3  LYS1950           HD1      LYS1950 -21.872   4.058  -1.509
  480    HE2  LYS1950           HE2      LYS1950 -22.496   1.782  -0.986
  481    HE3  LYS1950           HE1      LYS1950 -21.037   2.215  -0.099
  482    HZ1  LYS1950           HZ1      LYS1950 -22.640   0.997   1.263
  483    HZ2  LYS1950           HZ2      LYS1950 -23.788   2.210   1.020
  484    HZ3  LYS1950           HZ3      LYS1950 -22.379   2.546   1.887
  485    H    THR1951           HN       THR1951 -18.162   4.100   2.942
  486    HA   THR1951           HA       THR1951 -15.705   4.681   1.489
  487    HB   THR1951           HB       THR1951 -15.889   4.471   4.506
  488    HG1  THR1951           HG1      THR1951 -16.402   6.511   2.802
  489   HG21  THR1951          HG21      THR1951 -13.604   5.354   4.433
  490   HG22  THR1951          HG22      THR1951 -13.667   5.395   2.670
  491   HG23  THR1951          HG23      THR1951 -13.715   3.848   3.520
  492    H    LEU1952           HN       LEU1952 -15.291   2.816   0.560
  493    HA   LEU1952           HA       LEU1952 -16.055   0.297   1.782
  494    HB2  LEU1952           HB2      LEU1952 -16.416   0.848  -0.662
  495    HB3  LEU1952           HB1      LEU1952 -14.686   0.880  -0.866
  496    HG   LEU1952           HG       LEU1952 -15.777  -1.162  -1.761
  497   HD11  LEU1952          HD11      LEU1952 -14.274  -2.836  -0.844
  498   HD12  LEU1952          HD12      LEU1952 -13.857  -1.738   0.472
  499   HD13  LEU1952          HD13      LEU1952 -13.445  -1.318  -1.187
  500   HD21  LEU1952          HD21      LEU1952 -16.605  -2.879  -0.229
  501   HD22  LEU1952          HD22      LEU1952 -17.568  -1.400  -0.156
  502   HD23  LEU1952          HD23      LEU1952 -16.404  -1.761   1.121
  503    H    ASN1953           HN       ASN1953 -14.699  -0.488   3.252
  504    HA   ASN1953           HA       ASN1953 -11.915   0.216   3.325
  505    HB2  ASN1953           HB2      ASN1953 -13.134  -0.159   5.427
  506    HB3  ASN1953           HB1      ASN1953 -13.554  -1.790   4.922
  507   HD21  ASN1953          HD21      ASN1953 -12.580  -2.693   6.757
  508   HD22  ASN1953          HD22      ASN1953 -10.861  -2.804   6.892
  509    H    ALA1954           HN       ALA1954 -10.406  -0.777   2.131
  510    HA   ALA1954           HA       ALA1954 -11.155  -3.309   0.871
  511    HB1  ALA1954           HB1      ALA1954  -9.423  -2.821  -0.778
  512    HB2  ALA1954           HB2      ALA1954  -8.982  -1.355   0.103
  513    HB3  ALA1954           HB3      ALA1954 -10.573  -1.493  -0.649
  514    H    GLY1955           HN       GLY1955  -9.205  -2.019   3.298
  515    HA2  GLY1955           HA2      GLY1955  -8.202  -4.450   4.146
  516    HA3  GLY1955           HA1      GLY1955  -6.951  -3.646   3.196
  517    H    LYS1956           HN       LYS1956  -6.887  -4.165   5.954
  518    HA   LYS1956           HA       LYS1956  -7.301  -1.488   7.108
  519    HB2  LYS1956           HB2      LYS1956  -7.546  -2.455   9.278
  520    HB3  LYS1956           HB1      LYS1956  -8.576  -3.370   8.193
  521    HG2  LYS1956           HG2      LYS1956  -6.944  -5.172   8.142
  522    HG3  LYS1956           HG1      LYS1956  -5.857  -4.231   9.167
  523    HD2  LYS1956           HD2      LYS1956  -7.602  -4.196  10.914
  524    HD3  LYS1956           HD1      LYS1956  -8.596  -5.242   9.900
  525    HE2  LYS1956           HE2      LYS1956  -5.868  -5.894  10.994
  526    HE3  LYS1956           HE1      LYS1956  -7.400  -6.512  11.607
  527    HZ1  LYS1956           HZ1      LYS1956  -6.218  -7.071   8.917
  528    HZ2  LYS1956           HZ2      LYS1956  -7.742  -7.569   9.425
  529    HZ3  LYS1956           HZ3      LYS1956  -6.361  -8.119  10.218
  530    H    LEU1957           HN       LEU1957  -5.723  -1.151   9.038
  531    HA   LEU1957           HA       LEU1957  -3.142  -1.138   7.914
  532    HB2  LEU1957           HB2      LEU1957  -3.905   0.664   9.382
  533    HB3  LEU1957           HB1      LEU1957  -4.086  -0.445  10.710
  534    HG   LEU1957           HG       LEU1957  -2.118   1.184  10.777
  535   HD11  LEU1957          HD11      LEU1957  -2.215  -0.671  12.308
  536   HD12  LEU1957          HD12      LEU1957  -0.561  -0.403  11.764
  537   HD13  LEU1957          HD13      LEU1957  -1.504  -1.737  11.097
  538   HD21  LEU1957          HD21      LEU1957  -0.994  -0.734   8.740
  539   HD22  LEU1957          HD22      LEU1957  -0.074   0.476   9.631
  540   HD23  LEU1957          HD23      LEU1957  -1.331   0.988   8.499
  541    H    SER1958           HN       SER1958  -2.454  -3.102   7.479
  542    HA   SER1958           HA       SER1958  -1.888  -4.930   9.667
  543    HB2  SER1958           HB2      SER1958  -1.224  -5.259   6.726
  544    HB3  SER1958           HB1      SER1958  -1.458  -6.522   7.934
  545    HG   SER1958           HG       SER1958  -3.647  -6.371   7.673
  546    H    LYS1959           HN       LYS1959  -0.084  -4.146  10.740
  547    HA   LYS1959           HA       LYS1959   1.926  -2.730   9.189
  548    HB2  LYS1959           HB2      LYS1959   1.093  -1.662  11.223
  549    HB3  LYS1959           HB1      LYS1959   1.647  -3.017  12.211
  550    HG2  LYS1959           HG2      LYS1959   3.970  -2.389  11.570
  551    HG3  LYS1959           HG1      LYS1959   3.310  -1.017  10.674
  552    HD2  LYS1959           HD2      LYS1959   3.009  -1.501  13.652
  553    HD3  LYS1959           HD1      LYS1959   4.094  -0.334  12.902
  554    HE2  LYS1959           HE2      LYS1959   2.168   0.885  11.993
  555    HE3  LYS1959           HE1      LYS1959   1.074  -0.302  12.673
  556    HZ1  LYS1959           HZ1      LYS1959   1.820   0.365  14.921
  557    HZ2  LYS1959           HZ2      LYS1959   1.108   1.565  14.066
  558    HZ3  LYS1959           HZ3      LYS1959   2.770   1.597  14.258
  559    H    THR1960           HN       THR1960   2.496  -4.587   8.109
  560    HA   THR1960           HA       THR1960   4.666  -6.009   9.331
  561    HB   THR1960           HB       THR1960   2.671  -7.452   9.751
  562    HG1  THR1960           HG1      THR1960   3.428  -9.323   8.665
  563   HG21  THR1960          HG21      THR1960   1.244  -6.718   7.909
  564   HG22  THR1960          HG22      THR1960   1.449  -8.469   7.862
  565   HG23  THR1960          HG23      THR1960   2.350  -7.446   6.742
  566    H    LEU1961           HN       LEU1961   6.046  -6.926   7.543
  567    HA   LEU1961           HA       LEU1961   5.355  -5.971   4.904
  568    HB2  LEU1961           HB2      LEU1961   6.653  -4.153   6.082
  569    HB3  LEU1961           HB1      LEU1961   7.986  -5.277   6.233
  570    HG   LEU1961           HG       LEU1961   8.172  -5.381   3.779
  571   HD11  LEU1961          HD11      LEU1961   5.856  -4.905   3.206
  572   HD12  LEU1961          HD12      LEU1961   6.949  -3.778   2.402
  573   HD13  LEU1961          HD13      LEU1961   6.031  -3.260   3.817
  574   HD21  LEU1961          HD21      LEU1961   9.040  -3.114   3.454
  575   HD22  LEU1961          HD22      LEU1961   9.527  -3.798   5.000
  576   HD23  LEU1961          HD23      LEU1961   8.231  -2.597   4.936
  577    H    THR1962           HN       THR1962   6.399  -7.206   3.283
  578    HA   THR1962           HA       THR1962   8.120  -9.353   4.137
  579    HB   THR1962           HB       THR1962   6.047 -10.423   4.525
  580    HG1  THR1962           HG1      THR1962   7.396 -11.652   3.170
  581   HG21  THR1962          HG21      THR1962   4.116 -10.390   2.980
  582   HG22  THR1962          HG22      THR1962   4.995  -9.247   1.953
  583   HG23  THR1962          HG23      THR1962   4.560  -8.802   3.610
  584    H    TYR1963           HN       TYR1963   8.797 -10.610   2.047
  585    HA   TYR1963           HA       TYR1963   8.538  -8.956  -0.297
  586    HB2  TYR1963           HB2      TYR1963  11.023  -9.154  -0.780
  587    HB3  TYR1963           HB1      TYR1963  10.593  -8.087   0.545
  588    HD1  TYR1963           HD1      TYR1963  12.172 -11.261  -0.374
  589    HD2  TYR1963           HD2      TYR1963  11.289  -8.605   2.826
  590    HE1  TYR1963           HE1      TYR1963  13.749 -12.472   1.059
  591    HE2  TYR1963           HE2      TYR1963  12.873  -9.812   4.264
  592    HH   TYR1963           HH       TYR1963  15.071 -12.097   2.994
  593    H    GLU1964           HN       GLU1964   8.444 -10.017  -2.172
  594    HA   GLU1964           HA       GLU1964   9.124 -12.777  -2.410
  595    HB2  GLU1964           HB2      GLU1964   6.961 -12.935  -1.204
  596    HB3  GLU1964           HB1      GLU1964   6.203 -11.941  -2.438
  597    HG2  GLU1964           HG2      GLU1964   5.678 -14.308  -2.720
  598    HG3  GLU1964           HG1      GLU1964   6.580 -13.671  -4.096
  599    H    ASP1965           HN       ASP1965   8.829 -13.463  -4.608
  600    HA   ASP1965           HA       ASP1965   8.956 -13.254  -6.868
  601    HB2  ASP1965           HB2      ASP1965   7.255 -10.779  -6.433
  602    HB3  ASP1965           HB1      ASP1965   7.709 -11.375  -8.022
  603    H    GLN1966           HN       GLN1966  10.678 -11.773  -4.883
  604    HA   GLN1966           HA       GLN1966  12.542 -10.567  -4.809
  605    HB2  GLN1966           HB2      GLN1966  12.456 -10.626  -7.836
  606    HB3  GLN1966           HB1      GLN1966  13.860 -10.225  -6.851
  607    HG2  GLN1966           HG2      GLN1966  13.781 -12.511  -5.895
  608    HG3  GLN1966           HG1      GLN1966  12.470 -12.892  -7.008
  609   HE21  GLN1966          HE21      GLN1966  15.818 -12.387  -6.627
  610   HE22  GLN1966          HE22      GLN1966  16.295 -12.859  -8.225
  611    H    VAL1967           HN       VAL1967   9.986  -9.493  -4.814
  612    HA   VAL1967           HA       VAL1967  10.484  -6.651  -5.348
  613    HB   VAL1967           HB       VAL1967   7.825  -8.164  -5.696
  614   HG11  VAL1967          HG11      VAL1967   6.900  -6.126  -6.565
  615   HG12  VAL1967          HG12      VAL1967   8.410  -5.284  -6.214
  616   HG13  VAL1967          HG13      VAL1967   7.439  -5.946  -4.896
  617   HG21  VAL1967          HG21      VAL1967   7.983  -7.644  -8.074
  618   HG22  VAL1967          HG22      VAL1967   9.322  -8.661  -7.543
  619   HG23  VAL1967          HG23      VAL1967   9.577  -6.936  -7.813
  620    H    LEU1968           HN       LEU1968   9.262  -5.347  -3.705
  621    HA   LEU1968           HA       LEU1968   9.186  -6.729  -1.168
  622    HB2  LEU1968           HB2      LEU1968  10.221  -4.500  -1.387
  623    HB3  LEU1968           HB1      LEU1968   8.696  -3.843  -1.933
  624    HG   LEU1968           HG       LEU1968   7.721  -4.294   0.280
  625   HD11  LEU1968          HD11      LEU1968  10.518  -5.147   0.996
  626   HD12  LEU1968          HD12      LEU1968   9.102  -6.196   0.902
  627   HD13  LEU1968          HD13      LEU1968   9.181  -4.929   2.125
  628   HD21  LEU1968          HD21      LEU1968  10.286  -2.725   0.324
  629   HD22  LEU1968          HD22      LEU1968   8.957  -2.563   1.479
  630   HD23  LEU1968          HD23      LEU1968   8.716  -2.133  -0.218
  631    H    LYS1969           HN       LYS1969   7.244  -7.120  -0.031
  632    HA   LYS1969           HA       LYS1969   4.799  -6.554  -1.569
  633    HB2  LYS1969           HB2      LYS1969   5.463  -9.150  -0.186
  634    HB3  LYS1969           HB1      LYS1969   3.916  -8.753  -0.901
  635    HG2  LYS1969           HG2      LYS1969   6.530  -9.114  -2.348
  636    HG3  LYS1969           HG1      LYS1969   5.166 -10.230  -2.331
  637    HD2  LYS1969           HD2      LYS1969   3.794  -8.380  -3.367
  638    HD3  LYS1969           HD1      LYS1969   5.309  -7.495  -3.586
  639    HE2  LYS1969           HE2      LYS1969   4.895  -8.629  -5.626
  640    HE3  LYS1969           HE1      LYS1969   6.181  -9.517  -4.807
  641    HZ1  LYS1969           HZ1      LYS1969   4.712 -11.181  -5.521
  642    HZ2  LYS1969           HZ2      LYS1969   3.369 -10.233  -5.183
  643    HZ3  LYS1969           HZ3      LYS1969   4.195 -10.956  -3.914
  644    H    LEU1970           HN       LEU1970   2.935  -6.287  -0.383
  645    HA   LEU1970           HA       LEU1970   2.875  -6.780   2.436
  646    HB2  LEU1970           HB2      LEU1970   3.928  -4.427   1.947
  647    HB3  LEU1970           HB1      LEU1970   2.295  -3.962   1.522
  648    HG   LEU1970           HG       LEU1970   3.245  -4.916   4.230
  649   HD11  LEU1970          HD11      LEU1970   2.890  -2.606   4.923
  650   HD12  LEU1970          HD12      LEU1970   2.513  -2.174   3.256
  651   HD13  LEU1970          HD13      LEU1970   4.124  -2.751   3.673
  652   HD21  LEU1970          HD21      LEU1970   1.065  -4.192   5.066
  653   HD22  LEU1970          HD22      LEU1970   0.882  -5.471   3.862
  654   HD23  LEU1970          HD23      LEU1970   0.563  -3.793   3.424
  655    H    VAL1971           HN       VAL1971   0.773  -7.208   2.956
  656    HA   VAL1971           HA       VAL1971  -1.248  -6.517   0.972
  657    HB   VAL1971           HB       VAL1971  -2.497  -8.579   1.677
  658   HG11  VAL1971          HG11      VAL1971  -1.180 -10.110   0.231
  659   HG12  VAL1971          HG12      VAL1971   0.185  -8.996   0.334
  660   HG13  VAL1971          HG13      VAL1971  -1.308  -8.489  -0.455
  661   HG21  VAL1971          HG21      VAL1971   0.171  -9.393   2.855
  662   HG22  VAL1971          HG22      VAL1971  -1.212 -10.466   2.637
  663   HG23  VAL1971          HG23      VAL1971  -1.320  -9.101   3.750
  664    H    TYR1972           HN       TYR1972  -2.622  -5.123   1.730
  665    HA   TYR1972           HA       TYR1972  -3.050  -5.106   4.586
  666    HB2  TYR1972           HB2      TYR1972  -3.952  -3.170   2.433
  667    HB3  TYR1972           HB1      TYR1972  -4.558  -3.094   4.088
  668    HD1  TYR1972           HD2      TYR1972  -2.575  -3.342   5.863
  669    HD2  TYR1972           HD1      TYR1972  -2.193  -1.704   1.979
  670    HE1  TYR1972           HE2      TYR1972  -0.593  -2.141   6.589
  671    HE2  TYR1972           HE1      TYR1972  -0.172  -0.489   2.697
  672    HH   TYR1972           HH       TYR1972   1.424  -1.313   5.489
  673    H    GLU1973           HN       GLU1973  -4.212  -6.570   5.258
  674    HA   GLU1973           HA       GLU1973  -6.373  -7.516   3.590
  675    HB2  GLU1973           HB2      GLU1973  -6.342  -9.545   5.117
  676    HB3  GLU1973           HB1      GLU1973  -4.982  -9.327   4.037
  677    HG2  GLU1973           HG2      GLU1973  -4.207 -10.121   6.172
  678    HG3  GLU1973           HG1      GLU1973  -3.655  -8.466   5.938
  679    H    ASP1974           HN       ASP1974  -8.266  -8.319   4.573
  680    HA   ASP1974           HA       ASP1974 -10.129  -8.173   5.718
  681    HB2  ASP1974           HB2      ASP1974  -8.967  -8.776   7.722
  682    HB3  ASP1974           HB1      ASP1974  -8.407  -7.126   7.955
  683    H    GLY1975           HN       GLY1975 -11.237  -6.959   4.510
  684    HA2  GLY1975           HA2      GLY1975 -11.553  -4.177   5.352
  685    HA3  GLY1975           HA1      GLY1975 -11.546  -4.628   3.644
  686    H    ASP1976           HN       ASP1976 -13.708  -3.717   3.592
  687    HA   ASP1976           HA       ASP1976 -15.845  -4.972   5.016
  688    HB2  ASP1976           HB2      ASP1976 -15.823  -3.245   2.533
  689    HB3  ASP1976           HB1      ASP1976 -17.295  -3.992   3.123
  690    HA   PRO1977           HA       PRO1977 -15.717  -8.686   2.616
  691    HB2  PRO1977           HB2      PRO1977 -18.307  -9.188   3.958
  692    HB3  PRO1977           HB1      PRO1977 -16.832 -10.162   3.966
  693    HG2  PRO1977           HG2      PRO1977 -17.560  -8.798   6.127
  694    HG3  PRO1977           HG1      PRO1977 -15.852  -8.893   5.646
  695    HD2  PRO1977           HD2      PRO1977 -17.820  -6.672   5.205
  696    HD3  PRO1977           HD1      PRO1977 -16.139  -6.587   5.783
  697    H    CYS1978           HN       CYS1978 -16.382  -8.931   0.611
  698    HA   CYS1978           HA       CYS1978 -18.801  -7.594  -0.256
  699    HB2  CYS1978           HB2      CYS1978 -16.414  -8.741  -1.764
  700    HB3  CYS1978           HB1      CYS1978 -17.737  -7.826  -2.493
  701    HA   PRO1979           HA       PRO1979 -21.030 -11.433  -0.996
  702    HB2  PRO1979           HB2      PRO1979 -21.256 -11.845  -3.698
  703    HB3  PRO1979           HB1      PRO1979 -22.238 -10.687  -2.790
  704    HG2  PRO1979           HG2      PRO1979 -19.726 -10.237  -4.340
  705    HG3  PRO1979           HG1      PRO1979 -21.241  -9.305  -4.401
  706    HD2  PRO1979           HD2      PRO1979 -19.195  -8.380  -3.011
  707    HD3  PRO1979           HD1      PRO1979 -20.828  -8.310  -2.309
  708    H    THR1980           HN       THR1980 -17.811 -11.274  -2.182
  709    HA   THR1980           HA       THR1980 -17.577 -13.981  -2.881
  710    HB   THR1980           HB       THR1980 -15.233 -12.908  -2.958
  711    HG1  THR1980           HG1      THR1980 -15.469 -10.931  -2.039
  712   HG21  THR1980          HG21      THR1980 -16.566 -13.598  -4.936
  713   HG22  THR1980          HG22      THR1980 -15.769 -12.051  -5.229
  714   HG23  THR1980          HG23      THR1980 -17.480 -12.095  -4.827
  715    H    ASP1981           HN       ASP1981 -17.198 -11.791  -0.163
  716    HA   ASP1981           HA       ASP1981 -15.058 -13.304   1.123
  717    HB2  ASP1981           HB2      ASP1981 -16.461 -10.756   1.882
  718    HB3  ASP1981           HB1      ASP1981 -15.152 -11.494   2.797
  719    H    LEU1982           HN       LEU1982 -17.510 -14.532   0.873
  720    HA   LEU1982           HA       LEU1982 -18.894 -14.497   3.389
  721    HB2  LEU1982           HB2      LEU1982 -18.876 -16.626   1.266
  722    HB3  LEU1982           HB1      LEU1982 -20.127 -16.304   2.451
  723    HG   LEU1982           HG       LEU1982 -19.387 -14.423   0.227
  724   HD11  LEU1982          HD11      LEU1982 -21.677 -16.362   0.394
  725   HD12  LEU1982          HD12      LEU1982 -20.220 -16.559  -0.571
  726   HD13  LEU1982          HD13      LEU1982 -21.330 -15.223  -0.925
  727   HD21  LEU1982          HD21      LEU1982 -20.414 -13.373   2.151
  728   HD22  LEU1982          HD22      LEU1982 -21.727 -14.550   2.100
  729   HD23  LEU1982          HD23      LEU1982 -21.530 -13.388   0.779
  730    H    LYS1983           HN       LYS1983 -16.540 -16.466   1.692
  731    HA   LYS1983           HA       LYS1983 -15.831 -17.880   4.167
  732    HB2  LYS1983           HB2      LYS1983 -16.385 -18.986   1.420
  733    HB3  LYS1983           HB1      LYS1983 -15.677 -19.955   2.733
  734    HG2  LYS1983           HG2      LYS1983 -17.702 -19.583   4.036
  735    HG3  LYS1983           HG1      LYS1983 -18.331 -18.550   2.757
  736    HD2  LYS1983           HD2      LYS1983 -18.327 -20.479   1.232
  737    HD3  LYS1983           HD1      LYS1983 -17.754 -21.504   2.553
  738    HE2  LYS1983           HE2      LYS1983 -20.320 -19.921   2.573
  739    HE3  LYS1983           HE1      LYS1983 -20.199 -21.636   2.205
  740    HZ1  LYS1983           HZ1      LYS1983 -20.831 -21.030   4.561
  741    HZ2  LYS1983           HZ2      LYS1983 -19.195 -20.579   4.799
  742    HZ3  LYS1983           HZ3      LYS1983 -19.584 -22.132   4.355
  743    H    MET1984           HN       MET1984 -14.488 -15.547   2.891
  744    HA   MET1984           HA       MET1984 -11.879 -16.428   2.841
  745    HB2  MET1984           HB2      MET1984 -11.314 -15.644   0.590
  746    HB3  MET1984           HB1      MET1984 -12.492 -16.941   0.441
  747    HG2  MET1984           HG2      MET1984 -14.255 -15.350   0.036
  748    HG3  MET1984           HG1      MET1984 -13.159 -14.007   0.330
  749    HE1  MET1984           HE1      MET1984 -10.526 -14.858  -1.165
  750    HE2  MET1984           HE2      MET1984 -11.254 -13.257  -1.320
  751    HE3  MET1984           HE3      MET1984 -10.791 -14.157  -2.763
  752    H    LYS1985           HN       LYS1985 -10.661 -14.473   2.679
  753    HA   LYS1985           HA       LYS1985 -12.202 -12.001   3.013
  754    HB2  LYS1985           HB2      LYS1985 -11.557 -12.673   5.263
  755    HB3  LYS1985           HB1      LYS1985  -9.883 -12.849   4.769
  756    HG2  LYS1985           HG2      LYS1985 -10.252 -10.807   6.073
  757    HG3  LYS1985           HG1      LYS1985  -9.691 -10.446   4.445
  758    HD2  LYS1985           HD2      LYS1985 -11.444  -8.886   5.069
  759    HD3  LYS1985           HD1      LYS1985 -12.026  -9.945   3.788
  760    HE2  LYS1985           HE2      LYS1985 -13.745  -9.604   5.477
  761    HE3  LYS1985           HE1      LYS1985 -13.226 -11.284   5.457
  762    HZ1  LYS1985           HZ1      LYS1985 -12.267  -9.258   7.434
  763    HZ2  LYS1985           HZ2      LYS1985 -11.950 -10.903   7.479
  764    HZ3  LYS1985           HZ3      LYS1985 -13.531 -10.327   7.676
  765    H    HIS1986           HN       HIS1986 -11.750 -10.728   1.424
  766    HA   HIS1986           HA       HIS1986  -9.434 -10.863  -0.192
  767    HB2  HIS1986           HB2      HIS1986 -10.215  -8.905  -1.341
  768    HB3  HIS1986           HB1      HIS1986 -11.610  -9.894  -0.958
  769    HD1  HIS1986           HD1      HIS1986 -10.408  -6.455  -0.768
  770    HD2  HIS1986           HD2      HIS1986 -13.123  -8.777   1.347
  771    HE1  HIS1986           HE1      HIS1986 -11.840  -4.842   0.485
  772    HE2  HIS1986           HE2      HIS1986 -13.703  -6.301   1.367
  773    H    LYS1987           HN       LYS1987  -7.952  -9.028  -0.648
  774    HA   LYS1987           HA       LYS1987  -7.383  -7.241   1.493
  775    HB2  LYS1987           HB2      LYS1987  -5.077  -7.923   1.816
  776    HB3  LYS1987           HB1      LYS1987  -6.115  -9.279   2.187
  777    HG2  LYS1987           HG2      LYS1987  -4.686  -8.979  -0.451
  778    HG3  LYS1987           HG1      LYS1987  -3.970  -9.771   0.943
  779    HD2  LYS1987           HD2      LYS1987  -6.526 -10.603  -0.431
  780    HD3  LYS1987           HD1      LYS1987  -4.951 -11.365  -0.661
  781    HE2  LYS1987           HE2      LYS1987  -4.939 -11.831   1.810
  782    HE3  LYS1987           HE1      LYS1987  -6.612 -11.274   1.852
  783    HZ1  LYS1987           HZ1      LYS1987  -7.133 -13.055   0.195
  784    HZ2  LYS1987           HZ2      LYS1987  -6.538 -13.644   1.667
  785    HZ3  LYS1987           HZ3      LYS1987  -5.527 -13.565   0.332
  786    H    SER1988           HN       SER1988  -5.295  -6.022   0.741
  787    HA   SER1988           HA       SER1988  -5.505  -5.640  -2.136
  788    HB2  SER1988           HB2      SER1988  -4.487  -3.368  -1.493
  789    HB3  SER1988           HB1      SER1988  -6.177  -3.658  -1.032
  790    HG   SER1988           HG       SER1988  -5.568  -3.946   1.043
  791    H    TYR1989           HN       TYR1989  -3.714  -6.014  -3.342
  792    HA   TYR1989           HA       TYR1989  -1.361  -7.027  -1.960
  793    HB2  TYR1989           HB2      TYR1989  -2.257  -7.248  -4.841
  794    HB3  TYR1989           HB1      TYR1989  -0.740  -7.878  -4.228
  795    HD1  TYR1989           HD2      TYR1989  -0.715  -9.893  -2.833
  796    HD2  TYR1989           HD1      TYR1989  -4.367  -8.330  -4.342
  797    HE1  TYR1989           HE2      TYR1989  -1.840 -12.013  -2.289
  798    HE2  TYR1989           HE1      TYR1989  -5.499 -10.441  -3.809
  799    HH   TYR1989           HH       TYR1989  -4.945 -12.791  -3.466
  800    H    PHE1990           HN       PHE1990   0.183  -5.606  -1.625
  801    HA   PHE1990           HA       PHE1990   0.617  -3.481  -3.585
  802    HB2  PHE1990           HB2      PHE1990   1.393  -3.742  -0.677
  803    HB3  PHE1990           HB1      PHE1990   1.993  -2.473  -1.729
  804    HD1  PHE1990           HD1      PHE1990  -1.094  -3.934  -0.348
  805    HD2  PHE1990           HD2      PHE1990   0.768  -0.497  -1.991
  806    HE1  PHE1990           HE1      PHE1990  -3.069  -2.612   0.208
  807    HE2  PHE1990           HE2      PHE1990  -1.211   0.844  -1.432
  808    HZ   PHE1990           HZ       PHE1990  -3.083  -0.127  -0.336
  809    H    SER1991           HN       SER1991   2.210  -3.839  -4.931
  810    HA   SER1991           HA       SER1991   4.461  -5.492  -4.055
  811    HB2  SER1991           HB2      SER1991   3.537  -4.837  -6.869
  812    HB3  SER1991           HB1      SER1991   4.803  -5.986  -6.417
  813    HG   SER1991           HG       SER1991   2.292  -6.240  -5.292
  814    H    PHE1992           HN       PHE1992   6.010  -4.196  -3.376
  815    HA   PHE1992           HA       PHE1992   6.230  -1.476  -4.378
  816    HB2  PHE1992           HB2      PHE1992   7.694  -2.840  -2.113
  817    HB3  PHE1992           HB1      PHE1992   7.753  -1.128  -2.502
  818    HD1  PHE1992           HD2      PHE1992   5.863   0.311  -2.010
  819    HD2  PHE1992           HD1      PHE1992   5.814  -3.809  -1.009
  820    HE1  PHE1992           HE2      PHE1992   3.944   0.695  -0.533
  821    HE2  PHE1992           HE1      PHE1992   3.904  -3.430   0.466
  822    HZ   PHE1992           HZ       PHE1992   2.963  -1.176   0.711
  823    H    VAL1993           HN       VAL1993   7.525  -1.062  -5.897
  824    HA   VAL1993           HA       VAL1993   9.889  -2.733  -6.387
  825    HB   VAL1993           HB       VAL1993   9.502  -1.816  -8.867
  826   HG11  VAL1993          HG11      VAL1993   7.763  -3.916  -7.640
  827   HG12  VAL1993          HG12      VAL1993   9.437  -4.180  -8.199
  828   HG13  VAL1993          HG13      VAL1993   8.149  -3.745  -9.352
  829   HG21  VAL1993          HG21      VAL1993   7.609  -0.400  -8.242
  830   HG22  VAL1993          HG22      VAL1993   6.756  -1.855  -7.695
  831   HG23  VAL1993          HG23      VAL1993   7.154  -1.660  -9.399
  832    H    CYS1994           HN       CYS1994  11.766  -1.723  -6.785
  833    HA   CYS1994           HA       CYS1994  12.090   0.921  -5.831
  834    HB2  CYS1994           HB2      CYS1994  13.825  -0.801  -5.612
  835    HB3  CYS1994           HB1      CYS1994  14.038  -0.801  -7.356
  836    H    LYS1995           HN       LYS1995  12.095   2.779  -6.846
  837    HA   LYS1995           HA       LYS1995  12.309   2.794  -9.745
  838    HB2  LYS1995           HB2      LYS1995   9.908   2.733  -9.065
  839    HB3  LYS1995           HB1      LYS1995  10.158   4.238  -8.202
  840    HG2  LYS1995           HG2      LYS1995   9.108   4.756 -10.260
  841    HG3  LYS1995           HG1      LYS1995  10.787   5.284 -10.383
  842    HD2  LYS1995           HD2      LYS1995  11.356   3.347 -11.668
  843    HD3  LYS1995           HD1      LYS1995   9.730   2.668 -11.444
  844    HE2  LYS1995           HE2      LYS1995   8.839   4.587 -12.694
  845    HE3  LYS1995           HE1      LYS1995  10.488   5.180 -12.916
  846    HZ1  LYS1995           HZ1      LYS1995   9.346   2.651 -13.950
  847    HZ2  LYS1995           HZ2      LYS1995  10.977   3.025 -14.010
  848    HZ3  LYS1995           HZ3      LYS1995   9.863   3.998 -14.854
  849    H    SER1996           HN       SER1996  13.782   4.274 -10.268
  850    HA   SER1996           HA       SER1996  14.814   6.130  -8.377
  851    HB2  SER1996           HB2      SER1996  15.284   6.059 -11.363
  852    HB3  SER1996           HB1      SER1996  16.371   6.666 -10.109
  853    HG   SER1996           HG       SER1996  17.139   4.716  -9.958
  854    H    ASP1997           HN       ASP1997  12.822   6.308 -11.293
  855    HA   ASP1997           HA       ASP1997  12.553   9.085 -11.487
  856    HB2  ASP1997           HB2      ASP1997  11.939   7.672 -13.335
  857    HB3  ASP1997           HB1      ASP1997  10.681   6.894 -12.381
  858    H    ALA1998           HN       ALA1998  10.751   6.810  -9.555
  859    HA   ALA1998           HA       ALA1998   8.794   8.799  -8.716
  860    HB1  ALA1998           HB1      ALA1998   8.097   6.456  -9.014
  861    HB2  ALA1998           HB2      ALA1998   7.835   7.012  -7.363
  862    HB3  ALA1998           HB3      ALA1998   9.207   5.974  -7.728
  863    H    GLY1999           HN       GLY1999  11.799   8.739  -8.102
  864    HA2  GLY1999           HA2      GLY1999  11.964   8.535  -5.249
  865    HA3  GLY1999           HA1      GLY1999  13.219   9.114  -6.332
  866    H    ASP2000           HN       ASP2000  10.165  10.673  -6.594
  867    HA   ASP2000           HA       ASP2000  11.222  13.114  -5.431
  868    HB2  ASP2000           HB2      ASP2000   9.088  14.139  -6.148
  869    HB3  ASP2000           HB1      ASP2000   9.856  13.283  -7.474
  870    H    ASP2001           HN       ASP2001   9.383  10.456  -4.569
  871    HA   ASP2001           HA       ASP2001   9.171  11.110  -1.831
  872    HB2  ASP2001           HB2      ASP2001   7.275  12.525  -2.657
  873    HB3  ASP2001           HB1      ASP2001   6.584  11.123  -3.455
  874    H    SER2002           HN       SER2002   7.112   9.506  -4.147
  875    HA   SER2002           HA       SER2002   7.933   7.110  -4.692
  876    HB2  SER2002           HB2      SER2002   6.474   6.985  -1.996
  877    HB3  SER2002           HB1      SER2002   6.619   5.603  -3.082
  878    HG   SER2002           HG       SER2002   8.772   7.065  -2.011
  879    H    GLN2003           HN       GLN2003   6.023   5.911  -5.644
  880    HA   GLN2003           HA       GLN2003   3.507   7.250  -5.281
  881    HB2  GLN2003           HB2      GLN2003   3.086   7.890  -7.545
  882    HB3  GLN2003           HB1      GLN2003   4.610   8.601  -7.054
  883    HG2  GLN2003           HG2      GLN2003   5.787   6.823  -8.293
  884    HG3  GLN2003           HG1      GLN2003   4.222   6.205  -8.828
  885   HE21  GLN2003          HE21      GLN2003   2.937   7.527 -10.204
  886   HE22  GLN2003          HE22      GLN2003   3.663   8.763 -11.155
  887    HA   PRO2004           HA       PRO2004   2.176   3.140  -6.064
  888    HB2  PRO2004           HB2      PRO2004  -0.459   3.603  -5.539
  889    HB3  PRO2004           HB1      PRO2004   0.765   3.394  -4.290
  890    HG2  PRO2004           HG2      PRO2004  -0.641   5.822  -5.132
  891    HG3  PRO2004           HG1      PRO2004   0.218   5.519  -3.621
  892    HD2  PRO2004           HD2      PRO2004   1.099   6.990  -5.904
  893    HD3  PRO2004           HD1      PRO2004   1.994   6.662  -4.410
  894    H    VAL2005           HN       VAL2005   1.732   2.218  -7.988
  895    HA   VAL2005           HA       VAL2005   0.115   3.729  -9.883
  896    HB   VAL2005           HB       VAL2005   2.037   1.430 -10.387
  897   HG11  VAL2005          HG11      VAL2005   0.504   3.144 -12.346
  898   HG12  VAL2005          HG12      VAL2005   0.193   1.444 -11.990
  899   HG13  VAL2005          HG13      VAL2005   1.702   1.920 -12.769
  900   HG21  VAL2005          HG21      VAL2005   3.200   3.479  -9.783
  901   HG22  VAL2005          HG22      VAL2005   2.299   4.367 -11.012
  902   HG23  VAL2005          HG23      VAL2005   3.437   3.108 -11.490
  903    H    PHE2006           HN       PHE2006  -1.892   3.119  -9.825
  904    HA   PHE2006           HA       PHE2006  -2.650   0.587  -8.817
  905    HB2  PHE2006           HB2      PHE2006  -4.991   1.291  -9.432
  906    HB3  PHE2006           HB1      PHE2006  -4.164   2.405  -8.364
  907    HD1  PHE2006           HD2      PHE2006  -3.308   4.577  -9.297
  908    HD2  PHE2006           HD1      PHE2006  -5.796   1.959 -11.552
  909    HE1  PHE2006           HE2      PHE2006  -3.831   6.413 -10.844
  910    HE2  PHE2006           HE1      PHE2006  -6.314   3.788 -13.110
  911    HZ   PHE2006           HZ       PHE2006  -5.401   6.040 -12.709
  912    H    LEU2007           HN       LEU2007  -2.572  -1.234  -9.819
  913    HA   LEU2007           HA       LEU2007  -2.149  -1.357 -12.622
  914    HB2  LEU2007           HB2      LEU2007  -2.650  -3.448 -10.515
  915    HB3  LEU2007           HB1      LEU2007  -2.197  -3.785 -12.169
  916    HG   LEU2007           HG       LEU2007  -0.495  -2.313 -10.151
  917   HD11  LEU2007          HD11      LEU2007   0.905  -4.309 -10.181
  918   HD12  LEU2007          HD12      LEU2007  -0.253  -5.111 -11.244
  919   HD13  LEU2007          HD13      LEU2007  -0.720  -4.668  -9.600
  920   HD21  LEU2007          HD21      LEU2007  -0.077  -1.574 -12.443
  921   HD22  LEU2007          HD22      LEU2007   0.142  -3.249 -12.952
  922   HD23  LEU2007          HD23      LEU2007   1.283  -2.513 -11.825
  923    H    SER2008           HN       SER2008  -4.544  -2.738 -10.410
  924    HA   SER2008           HA       SER2008  -6.722  -1.769 -11.865
  925    HB2  SER2008           HB2      SER2008  -7.606  -4.049 -12.514
  926    HB3  SER2008           HB1      SER2008  -6.250  -3.462 -13.470
  927    HG   SER2008           HG       SER2008  -6.385  -5.722 -12.487
  928    H    PHE2009           HN       PHE2009  -8.625  -2.067 -10.797
  929    HA   PHE2009           HA       PHE2009  -8.426  -3.249  -8.133
  930    HB2  PHE2009           HB2      PHE2009  -9.115  -0.881  -8.160
  931    HB3  PHE2009           HB1      PHE2009 -10.421  -1.258  -9.275
  932    HD1  PHE2009           HD1      PHE2009  -9.179  -1.931  -5.842
  933    HD2  PHE2009           HD2      PHE2009 -12.531  -1.882  -8.462
  934    HE1  PHE2009           HE1      PHE2009 -10.676  -2.321  -3.929
  935    HE2  PHE2009           HE2      PHE2009 -14.034  -2.278  -6.555
  936    HZ   PHE2009           HZ       PHE2009 -13.108  -2.498  -4.286
  937    H    ASP2010           HN       ASP2010  -9.491  -5.047  -7.759
  938    HA   ASP2010           HA       ASP2010 -11.173  -6.179  -9.842
  939    HB2  ASP2010           HB2      ASP2010  -9.443  -7.633  -9.022
  940    HB3  ASP2010           HB1      ASP2010  -9.859  -7.290  -7.348
  941    H    GLU2011           HN       GLU2011 -13.285  -5.854  -9.664
  942    HA   GLU2011           HA       GLU2011 -14.385  -4.826  -7.164
  943    HB2  GLU2011           HB2      GLU2011 -16.417  -4.413  -8.436
  944    HB3  GLU2011           HB1      GLU2011 -15.026  -3.783  -9.314
  945    HG2  GLU2011           HG2      GLU2011 -15.033  -5.745 -10.743
  946    HG3  GLU2011           HG1      GLU2011 -16.391  -6.403  -9.841
  947    H    GLN2012           HN       GLN2012 -14.051  -7.696  -8.810
  948    HA   GLN2012           HA       GLN2012 -16.245  -9.239  -8.123
  949    HB2  GLN2012           HB2      GLN2012 -14.838 -10.213  -9.655
  950    HB3  GLN2012           HB1      GLN2012 -13.390  -9.747  -8.781
  951    HG2  GLN2012           HG2      GLN2012 -13.860 -11.419  -7.121
  952    HG3  GLN2012           HG1      GLN2012 -15.282 -11.965  -8.018
  953   HE21  GLN2012          HE21      GLN2012 -12.250 -10.922  -9.481
  954   HE22  GLN2012          HE22      GLN2012 -11.846 -12.481 -10.116
  955    H    THR2013           HN       THR2013 -13.118  -9.212  -6.490
  956    HA   THR2013           HA       THR2013 -14.458 -10.140  -4.060
  957    HB   THR2013           HB       THR2013 -12.033 -10.651  -3.379
  958    HG1  THR2013           HG1      THR2013 -11.645  -9.942  -6.031
  959   HG21  THR2013          HG21      THR2013 -13.685 -12.394  -3.828
  960   HG22  THR2013          HG22      THR2013 -12.079 -12.864  -4.356
  961   HG23  THR2013          HG23      THR2013 -13.274 -12.373  -5.543
  962    H    CYS2014           HN       CYS2014 -13.527  -7.371  -5.416
  963    HA   CYS2014           HA       CYS2014 -13.028  -5.288  -4.725
  964    HB2  CYS2014           HB2      CYS2014 -13.492  -6.354  -1.920
  965    HB3  CYS2014           HB1      CYS2014 -13.501  -4.658  -2.398
  966    H    THR2015           HN       THR2015 -11.047  -7.193  -5.143
  967    HA   THR2015           HA       THR2015  -8.946  -6.764  -3.194
  968    HB   THR2015           HB       THR2015  -9.091  -8.425  -5.724
  969    HG1  THR2015           HG1      THR2015 -10.095  -9.692  -4.375
  970   HG21  THR2015          HG21      THR2015  -6.912  -8.343  -3.622
  971   HG22  THR2015          HG22      THR2015  -6.765  -7.742  -5.273
  972   HG23  THR2015          HG23      THR2015  -6.993  -9.466  -4.980
  973    H    SER2016           HN       SER2016  -7.106  -5.561  -3.625
  974    HA   SER2016           HA       SER2016  -7.242  -3.882  -6.030
  975    HB2  SER2016           HB2      SER2016  -6.004  -3.260  -3.353
  976    HB3  SER2016           HB1      SER2016  -6.243  -2.147  -4.703
  977    HG   SER2016           HG       SER2016  -8.547  -3.357  -4.025
  978    H    TYR2017           HN       TYR2017  -5.407  -3.824  -7.338
  979    HA   TYR2017           HA       TYR2017  -3.003  -5.238  -6.376
  980    HB2  TYR2017           HB2      TYR2017  -3.936  -4.854  -9.240
  981    HB3  TYR2017           HB1      TYR2017  -2.522  -5.757  -8.719
  982    HD1  TYR2017           HD2      TYR2017  -2.842  -7.937  -7.510
  983    HD2  TYR2017           HD1      TYR2017  -6.090  -5.828  -9.272
  984    HE1  TYR2017           HE2      TYR2017  -4.213  -9.981  -7.431
  985    HE2  TYR2017           HE1      TYR2017  -7.460  -7.858  -9.198
  986    HH   TYR2017           HH       TYR2017  -7.200 -10.221  -9.094
  987    H    PHE2018           HN       PHE2018  -1.409  -3.779  -5.927
  988    HA   PHE2018           HA       PHE2018  -1.284  -1.394  -7.643
  989    HB2  PHE2018           HB2      PHE2018  -0.727  -1.463  -4.674
  990    HB3  PHE2018           HB1      PHE2018  -0.541  -0.068  -5.724
  991    HD1  PHE2018           HD2      PHE2018  -2.802   0.343  -7.180
  992    HD2  PHE2018           HD1      PHE2018  -2.556  -1.449  -3.346
  993    HE1  PHE2018           HE2      PHE2018  -5.134   0.966  -6.746
  994    HE2  PHE2018           HE1      PHE2018  -4.888  -0.823  -2.890
  995    HZ   PHE2018           HZ       PHE2018  -6.181   0.389  -4.596
  996    H    SER2019           HN       SER2019   0.596  -1.013  -8.555
  997    HA   SER2019           HA       SER2019   2.959  -2.427  -7.599
  998    HB2  SER2019           HB2      SER2019   2.410  -2.593 -10.055
  999    HB3  SER2019           HB1      SER2019   2.507  -0.838 -10.167
 1000    HG   SER2019           HG       SER2019   4.458  -2.604 -10.396
 1001    H    TRP2020           HN       TRP2020   3.971  -1.253  -6.130
 1002    HA   TRP2020           HA       TRP2020   3.520   1.627  -6.156
 1003    HB2  TRP2020           HB2      TRP2020   2.940   0.173  -4.155
 1004    HB3  TRP2020           HB1      TRP2020   4.677  -0.003  -3.911
 1005    HD1  TRP2020           HD1      TRP2020   5.903   2.683  -3.784
 1006    HE1  TRP2020           HE1      TRP2020   5.041   4.596  -2.287
 1007    HE3  TRP2020           HE3      TRP2020   1.140   1.045  -3.031
 1008    HZ2  TRP2020           HZ2      TRP2020   2.676   5.295  -0.975
 1009    HZ3  TRP2020           HZ3      TRP2020  -0.362   2.395  -1.633
 1010    HH2  TRP2020           HH2      TRP2020   0.395   4.477  -0.630
 1011    H    HIS2021           HN       HIS2021   5.024   2.451  -7.382
 1012    HA   HIS2021           HA       HIS2021   7.719   1.492  -7.376
 1013    HB2  HIS2021           HB2      HIS2021   6.649   4.069  -8.622
 1014    HB3  HIS2021           HB1      HIS2021   8.243   3.333  -8.803
 1015    HD1  HIS2021           HD1      HIS2021   5.780   3.903 -11.020
 1016    HD2  HIS2021           HD2      HIS2021   7.440   0.341  -9.673
 1017    HE1  HIS2021           HE1      HIS2021   5.356   2.243 -12.800
 1018    HE2  HIS2021           HE2      HIS2021   6.225   0.074 -11.933
 1019    H    THR2022           HN       THR2022   8.904   1.824  -5.662
 1020    HA   THR2022           HA       THR2022   9.083   4.481  -4.571
 1021    HB   THR2022           HB       THR2022   7.530   3.572  -3.022
 1022    HG1  THR2022           HG1      THR2022   8.900   4.589  -1.817
 1023   HG21  THR2022          HG21      THR2022   7.734   1.198  -3.566
 1024   HG22  THR2022          HG22      THR2022   7.861   1.448  -1.824
 1025   HG23  THR2022          HG23      THR2022   9.312   1.144  -2.781
 1026    H    SER2023           HN       SER2023  11.025   4.956  -3.695
 1027    HA   SER2023           HA       SER2023  13.216   3.438  -4.777
 1028    HB2  SER2023           HB2      SER2023  12.929   5.844  -4.959
 1029    HB3  SER2023           HB1      SER2023  13.160   6.044  -3.224
 1030    HG   SER2023           HG       SER2023  14.989   6.196  -4.985
 1031    H    LEU2024           HN       LEU2024  11.494   3.125  -1.997
 1032    HA   LEU2024           HA       LEU2024  13.820   2.465  -0.347
 1033    HB2  LEU2024           HB2      LEU2024  10.887   2.659   0.377
 1034    HB3  LEU2024           HB1      LEU2024  12.141   2.187   1.499
 1035    HG   LEU2024           HG       LEU2024  11.567   4.400   2.017
 1036   HD11  LEU2024          HD11      LEU2024  13.909   4.037   2.130
 1037   HD12  LEU2024          HD12      LEU2024  13.579   5.700   1.632
 1038   HD13  LEU2024          HD13      LEU2024  14.105   4.509   0.440
 1039   HD21  LEU2024          HD21      LEU2024  11.567   6.272   0.420
 1040   HD22  LEU2024          HD22      LEU2024  10.376   5.041   0.000
 1041   HD23  LEU2024          HD23      LEU2024  11.894   5.139  -0.892
 1042    H    ALA2025           HN       ALA2025  12.161   1.052  -2.629
 1043    HA   ALA2025           HA       ALA2025  11.802  -1.593  -1.357
 1044    HB1  ALA2025           HB1      ALA2025  10.254  -1.967  -3.231
 1045    HB2  ALA2025           HB2      ALA2025  10.617  -0.313  -3.773
 1046    HB3  ALA2025           HB3      ALA2025   9.820  -0.570  -2.233
 1047    H    CYS2026           HN       CYS2026  14.371  -0.585  -2.413
 1048    HA   CYS2026           HA       CYS2026  14.668  -1.779  -4.992
 1049    HB2  CYS2026           HB2      CYS2026  16.861  -0.739  -3.244
 1050    HB3  CYS2026           HB1      CYS2026  16.873  -0.965  -4.993
 1051    H    GLU2027           HN       GLU2027  15.053  -3.714  -5.453
 1052    HA   GLU2027           HA       GLU2027  17.097  -5.240  -4.135
 1053    HB2  GLU2027           HB2      GLU2027  15.181  -6.151  -2.920
 1054    HB3  GLU2027           HB1      GLU2027  14.298  -6.403  -4.424
 1055    HG2  GLU2027           HG2      GLU2027  15.926  -8.061  -5.137
 1056    HG3  GLU2027           HG1      GLU2027  16.874  -7.777  -3.687
 1057    H    GLU2028           HN       GLU2028  14.602  -6.357  -6.411
 1058    HA   GLU2028           HA       GLU2028  16.741  -6.859  -8.317
 1059    HB2  GLU2028           HB2      GLU2028  13.978  -7.919  -7.998
 1060    HB3  GLU2028           HB1      GLU2028  14.821  -8.089  -9.537
 1061    HG2  GLU2028           HG2      GLU2028  15.952  -8.985  -6.907
 1062    HG3  GLU2028           HG1      GLU2028  15.034 -10.029  -7.994
 1063    H    GLU2029           HN       GLU2029  15.073  -4.380  -7.689
 1064    HA   GLU2029           HA       GLU2029  14.822  -3.504 -10.459
 1065    HB2  GLU2029           HB2      GLU2029  13.429  -2.567  -7.924
 1066    HB3  GLU2029           HB1      GLU2029  13.411  -1.658  -9.424
 1067    HG2  GLU2029           HG2      GLU2029  12.335  -4.450  -9.137
 1068    HG3  GLU2029           HG1      GLU2029  11.359  -2.984  -8.989
 1069    H    VAL2030           HN       VAL2030  16.628  -2.466 -10.870
 1070    HA   VAL2030           HA       VAL2030  18.309  -1.761  -8.679
 1071    HB   VAL2030           HB       VAL2030  19.246  -2.895 -10.636
 1072   HG11  VAL2030          HG11      VAL2030  18.646  -0.391 -12.163
 1073   HG12  VAL2030          HG12      VAL2030  17.931  -1.987 -12.402
 1074   HG13  VAL2030          HG13      VAL2030  19.644  -1.728 -12.738
 1075   HG21  VAL2030          HG21      VAL2030  21.246  -1.508 -10.956
 1076   HG22  VAL2030          HG22      VAL2030  20.753  -1.602  -9.265
 1077   HG23  VAL2030          HG23      VAL2030  20.406  -0.151 -10.207
 1078    HA   PRO2031           HA       PRO2031  17.026   2.458  -8.468
 1079    HB2  PRO2031           HB2      PRO2031  19.177   3.061  -6.715
 1080    HB3  PRO2031           HB1      PRO2031  17.501   2.737  -6.283
 1081    HG2  PRO2031           HG2      PRO2031  19.798   1.066  -5.861
 1082    HG3  PRO2031           HG1      PRO2031  18.117   0.765  -5.404
 1083    HD2  PRO2031           HD2      PRO2031  19.640  -0.457  -7.498
 1084    HD3  PRO2031           HD1      PRO2031  17.991  -0.787  -6.970
 1085    H    ARG2032           HN       ARG2032  20.278   1.378  -9.178
 1086    HA   ARG2032           HA       ARG2032  20.737   3.899 -10.612
 1087    HB2  ARG2032           HB2      ARG2032  22.736   2.169  -9.145
 1088    HB3  ARG2032           HB1      ARG2032  23.135   3.589 -10.105
 1089    HG2  ARG2032           HG2      ARG2032  22.063   5.036  -8.583
 1090    HG3  ARG2032           HG1      ARG2032  21.291   3.689  -7.740
 1091    HD2  ARG2032           HD2      ARG2032  24.251   4.205  -7.862
 1092    HD3  ARG2032           HD1      ARG2032  23.201   4.624  -6.507
 1093    HE   ARG2032           HE       ARG2032  22.747   1.980  -6.919
 1094   HH11  ARG2032          HH11      ARG2032  25.734   3.816  -6.472
 1095   HH12  ARG2032          HH12      ARG2032  26.520   2.641  -5.520
 1096   HH21  ARG2032          HH21      ARG2032  23.806   0.321  -5.592
 1097   HH22  ARG2032          HH22      ARG2032  25.406   0.571  -5.065
  Start of MODEL   15
    1    H1   MET1885           HT1      MET1885  16.335   9.319   3.582
    2    H2   MET1885           HT2      MET1885  16.391   9.440   1.896
    3    H3   MET1885           HT3      MET1885  15.948   7.970   2.643
    4    HA   MET1885           HA       MET1885  14.441  10.504   2.821
    5    HB2  MET1885           HB2      MET1885  13.783   7.882   1.451
    6    HB3  MET1885           HB1      MET1885  12.663   9.216   1.639
    7    HG2  MET1885           HG2      MET1885  14.117  10.609   0.241
    8    HG3  MET1885           HG1      MET1885  15.206   9.238   0.040
    9    HE1  MET1885           HE1      MET1885  11.655  10.713  -0.730
   10    HE2  MET1885           HE2      MET1885  11.259   9.240   0.155
   11    HE3  MET1885           HE3      MET1885  10.875   9.368  -1.560
   12    H    LYS1886           HN       LYS1886  12.814  10.523   4.328
   13    HA   LYS1886           HA       LYS1886  12.016   8.188   5.800
   14    HB2  LYS1886           HB2      LYS1886  14.177   8.517   6.824
   15    HB3  LYS1886           HB1      LYS1886  13.868  10.228   7.037
   16    HG2  LYS1886           HG2      LYS1886  12.090   9.667   8.652
   17    HG3  LYS1886           HG1      LYS1886  12.501   7.958   8.466
   18    HD2  LYS1886           HD2      LYS1886  14.759   8.391   9.242
   19    HD3  LYS1886           HD1      LYS1886  14.409  10.115   9.352
   20    HE2  LYS1886           HE2      LYS1886  12.757   9.682  11.080
   21    HE3  LYS1886           HE1      LYS1886  13.046   7.946  10.940
   22    HZ1  LYS1886           HZ1      LYS1886  14.266   8.867  12.806
   23    HZ2  LYS1886           HZ2      LYS1886  15.066   9.962  11.780
   24    HZ3  LYS1886           HZ3      LYS1886  15.302   8.299  11.605
   25    H    SER1887           HN       SER1887   9.851   8.667   6.051
   26    HA   SER1887           HA       SER1887   9.235  11.388   6.840
   27    HB2  SER1887           HB2      SER1887   8.078  10.676   4.755
   28    HB3  SER1887           HB1      SER1887   7.331   9.343   5.632
   29    HG   SER1887           HG       SER1887   5.946  10.708   6.553
   30    H    ASN1888           HN       ASN1888   7.369   8.351   7.402
   31    HA   ASN1888           HA       ASN1888   7.264   9.108  10.255
   32    HB2  ASN1888           HB2      ASN1888   5.078   8.727   8.990
   33    HB3  ASN1888           HB1      ASN1888   5.597   7.053   8.823
   34   HD21  ASN1888          HD21      ASN1888   3.240   8.153  10.133
   35   HD22  ASN1888          HD22      ASN1888   3.290   7.604  11.765
   36    H    VAL1889           HN       VAL1889   8.544   8.140  11.524
   37    HA   VAL1889           HA       VAL1889   9.779   5.679  10.647
   38    HB   VAL1889           HB       VAL1889  11.331   7.397  11.380
   39   HG11  VAL1889          HG11      VAL1889  11.491   8.143  13.703
   40   HG12  VAL1889          HG12      VAL1889   9.996   7.280  14.066
   41   HG13  VAL1889          HG13      VAL1889   9.982   8.629  12.931
   42   HG21  VAL1889          HG21      VAL1889  12.660   6.111  13.016
   43   HG22  VAL1889          HG22      VAL1889  12.033   5.095  11.717
   44   HG23  VAL1889          HG23      VAL1889  11.266   5.068  13.305
   45    H    GLN1890           HN       GLN1890   7.944   4.582  10.765
   46    HA   GLN1890           HA       GLN1890   7.078   3.618  13.340
   47    HB2  GLN1890           HB2      GLN1890   6.571   2.602  10.520
   48    HB3  GLN1890           HB1      GLN1890   5.848   1.912  11.963
   49    HG2  GLN1890           HG2      GLN1890   5.472   4.765  11.089
   50    HG3  GLN1890           HG1      GLN1890   4.358   3.466  10.687
   51   HE21  GLN1890          HE21      GLN1890   2.647   4.393  11.811
   52   HE22  GLN1890          HE22      GLN1890   2.616   4.494  13.526
   53    H    ASN1891           HN       ASN1891   8.014   1.982  14.413
   54    HA   ASN1891           HA       ASN1891  10.549   1.041  13.441
   55    HB2  ASN1891           HB2      ASN1891   9.955   1.590  15.887
   56    HB3  ASN1891           HB1      ASN1891   9.134   0.036  15.918
   57   HD21  ASN1891          HD21      ASN1891  10.388  -1.874  15.961
   58   HD22  ASN1891          HD22      ASN1891  12.096  -1.823  16.177
   59    H    ASP1892           HN       ASP1892   7.403   0.041  13.077
   60    HA   ASP1892           HA       ASP1892   8.249  -2.680  12.383
   61    HB2  ASP1892           HB2      ASP1892   5.443  -1.578  12.659
   62    HB3  ASP1892           HB1      ASP1892   5.852  -3.247  12.303
   63    H    CYS1893           HN       CYS1893   6.558  -3.297  10.416
   64    HA   CYS1893           HA       CYS1893   6.492  -3.193   8.147
   65    HB2  CYS1893           HB2      CYS1893   4.783  -1.513   8.608
   66    HB3  CYS1893           HB1      CYS1893   6.009  -0.276   8.813
   67    H    ARG1894           HN       ARG1894   8.843  -3.653   8.719
   68    HA   ARG1894           HA       ARG1894  10.510  -2.555   6.779
   69    HB2  ARG1894           HB2      ARG1894  12.297  -1.678   8.396
   70    HB3  ARG1894           HB1      ARG1894  10.908  -0.641   8.136
   71    HG2  ARG1894           HG2      ARG1894   9.962  -1.630  10.273
   72    HG3  ARG1894           HG1      ARG1894  11.568  -2.311  10.541
   73    HD2  ARG1894           HD2      ARG1894  11.118   0.613  10.004
   74    HD3  ARG1894           HD1      ARG1894  11.038  -0.065  11.624
   75    HE   ARG1894           HE       ARG1894  13.352  -0.824  11.202
   76   HH11  ARG1894          HH11      ARG1894  12.172   1.913   9.268
   77   HH12  ARG1894          HH12      ARG1894  13.586   2.852   9.432
   78   HH21  ARG1894          HH21      ARG1894  15.344   0.445  11.361
   79   HH22  ARG1894          HH22      ARG1894  15.422   2.018  10.693
   80    H    VAL1895           HN       VAL1895  11.737  -4.159   6.196
   81    HA   VAL1895           HA       VAL1895  12.570  -6.115   8.184
   82    HB   VAL1895           HB       VAL1895  10.408  -6.947   7.296
   83   HG11  VAL1895          HG11      VAL1895  10.170  -7.681   4.977
   84   HG12  VAL1895          HG12      VAL1895  11.724  -6.938   4.594
   85   HG13  VAL1895          HG13      VAL1895  10.375  -5.936   5.123
   86   HG21  VAL1895          HG21      VAL1895  12.778  -8.585   6.386
   87   HG22  VAL1895          HG22      VAL1895  11.141  -9.200   6.627
   88   HG23  VAL1895          HG23      VAL1895  12.063  -8.583   7.997
   89    H    THR1896           HN       THR1896  14.501  -7.106   7.682
   90    HA   THR1896           HA       THR1896  16.016  -5.805   5.578
   91    HB   THR1896           HB       THR1896  17.004  -7.936   7.480
   92    HG1  THR1896           HG1      THR1896  16.058  -6.491   8.776
   93   HG21  THR1896          HG21      THR1896  19.122  -6.704   7.253
   94   HG22  THR1896          HG22      THR1896  18.331  -5.526   6.206
   95   HG23  THR1896          HG23      THR1896  18.514  -7.195   5.674
   96    H    ASN1897           HN       ASN1897  16.445  -6.816   3.681
   97    HA   ASN1897           HA       ASN1897  15.738  -9.652   3.495
   98    HB2  ASN1897           HB2      ASN1897  14.588  -8.231   1.851
   99    HB3  ASN1897           HB1      ASN1897  16.142  -7.609   1.293
  100   HD21  ASN1897          HD21      ASN1897  15.844  -8.358  -0.812
  101   HD22  ASN1897          HD22      ASN1897  15.877 -10.036  -1.194
  102    HA   PRO1898           HA       PRO1898  20.212  -9.930   3.804
  103    HB2  PRO1898           HB2      PRO1898  20.267 -12.661   4.027
  104    HB3  PRO1898           HB1      PRO1898  19.990 -11.560   5.382
  105    HG2  PRO1898           HG2      PRO1898  18.033 -13.131   3.778
  106    HG3  PRO1898           HG1      PRO1898  18.049 -12.801   5.518
  107    HD2  PRO1898           HD2      PRO1898  16.440 -11.486   3.786
  108    HD3  PRO1898           HD1      PRO1898  17.076 -10.740   5.264
  109    H    ALA1899           HN       ALA1899  18.103 -11.379   1.506
  110    HA   ALA1899           HA       ALA1899  20.024 -12.570  -0.184
  111    HB1  ALA1899           HB1      ALA1899  17.338 -11.399  -0.901
  112    HB2  ALA1899           HB2      ALA1899  17.633 -13.054  -0.364
  113    HB3  ALA1899           HB3      ALA1899  18.287 -12.497  -1.904
  114    H    THR1900           HN       THR1900  18.840  -9.316   0.168
  115    HA   THR1900           HA       THR1900  20.541  -8.389  -2.039
  116    HB   THR1900           HB       THR1900  18.744  -6.658  -0.323
  117    HG1  THR1900           HG1      THR1900  18.109  -8.361  -2.515
  118   HG21  THR1900          HG21      THR1900  18.666  -5.296  -2.353
  119   HG22  THR1900          HG22      THR1900  19.683  -6.472  -3.186
  120   HG23  THR1900          HG23      THR1900  20.333  -5.547  -1.828
  121    H    GLY1901           HN       GLY1901  19.949  -8.088   1.433
  122    HA2  GLY1901           HA2      GLY1901  21.593  -7.743   3.053
  123    HA3  GLY1901           HA1      GLY1901  22.619  -6.995   1.828
  124    H    HIS1902           HN       HIS1902  19.487  -6.008   1.502
  125    HA   HIS1902           HA       HIS1902  20.116  -3.422   2.772
  126    HB2  HIS1902           HB2      HIS1902  19.935  -3.429   0.263
  127    HB3  HIS1902           HB1      HIS1902  18.267  -3.952   0.424
  128    HD1  HIS1902           HD1      HIS1902  16.497  -2.083   0.768
  129    HD2  HIS1902           HD2      HIS1902  20.422  -0.722   1.160
  130    HE1  HIS1902           HE1      HIS1902  16.350   0.390   0.816
  131    HE2  HIS1902           HE2      HIS1902  18.699   1.210   0.924
  132    H    LEU1903           HN       LEU1903  18.577  -2.451   4.019
  133    HA   LEU1903           HA       LEU1903  16.461  -4.072   5.129
  134    HB2  LEU1903           HB2      LEU1903  17.750  -2.619   6.597
  135    HB3  LEU1903           HB1      LEU1903  17.355  -1.225   5.619
  136    HG   LEU1903           HG       LEU1903  14.971  -1.476   6.307
  137   HD11  LEU1903          HD11      LEU1903  14.431  -2.865   8.231
  138   HD12  LEU1903          HD12      LEU1903  16.060  -3.543   8.196
  139   HD13  LEU1903          HD13      LEU1903  14.955  -3.829   6.850
  140   HD21  LEU1903          HD21      LEU1903  15.286  -0.609   8.572
  141   HD22  LEU1903          HD22      LEU1903  16.430   0.104   7.434
  142   HD23  LEU1903          HD23      LEU1903  16.962  -1.159   8.546
  143    H    PHE1904           HN       PHE1904  14.426  -4.073   4.375
  144    HA   PHE1904           HA       PHE1904  13.701  -2.057   2.432
  145    HB2  PHE1904           HB2      PHE1904  12.422  -4.695   3.218
  146    HB3  PHE1904           HB1      PHE1904  11.712  -3.576   2.069
  147    HD1  PHE1904           HD2      PHE1904  15.137  -3.363   1.473
  148    HD2  PHE1904           HD1      PHE1904  11.874  -6.056   0.965
  149    HE1  PHE1904           HE2      PHE1904  16.334  -4.477  -0.367
  150    HE2  PHE1904           HE1      PHE1904  13.036  -7.150  -0.857
  151    HZ   PHE1904           HZ       PHE1904  15.289  -6.372  -1.543
  152    H    ASP1905           HN       ASP1905  13.002  -0.330   3.383
  153    HA   ASP1905           HA       ASP1905  10.887  -0.481   5.353
  154    HB2  ASP1905           HB2      ASP1905  12.733  -0.170   6.818
  155    HB3  ASP1905           HB1      ASP1905  13.510   0.966   5.725
  156    H    LEU1906           HN       LEU1906   9.465   1.091   5.117
  157    HA   LEU1906           HA       LEU1906   9.858   2.781   2.743
  158    HB2  LEU1906           HB2      LEU1906   7.317   1.635   3.877
  159    HB3  LEU1906           HB1      LEU1906   7.453   2.599   2.425
  160    HG   LEU1906           HG       LEU1906   8.642  -0.148   2.811
  161   HD11  LEU1906          HD11      LEU1906   6.265   0.751   1.210
  162   HD12  LEU1906          HD12      LEU1906   6.222  -0.196   2.698
  163   HD13  LEU1906          HD13      LEU1906   6.940  -0.877   1.238
  164   HD21  LEU1906          HD21      LEU1906   8.525   1.619   0.360
  165   HD22  LEU1906          HD22      LEU1906   9.091  -0.047   0.402
  166   HD23  LEU1906          HD23      LEU1906   9.965   1.203   1.287
  167    H    THR1907           HN       THR1907  10.718   3.756   5.272
  168    HA   THR1907           HA       THR1907   8.914   5.103   6.834
  169    HB   THR1907           HB       THR1907  10.909   6.894   6.905
  170    HG1  THR1907           HG1      THR1907  12.220   4.522   6.222
  171   HG21  THR1907          HG21      THR1907  11.038   4.125   8.115
  172   HG22  THR1907          HG22      THR1907  10.157   5.498   8.778
  173   HG23  THR1907          HG23      THR1907  11.920   5.543   8.690
  174    H    SER1908           HN       SER1908  10.262   6.272   3.792
  175    HA   SER1908           HA       SER1908   9.224   8.848   3.774
  176    HB2  SER1908           HB2      SER1908   9.530   7.121   1.367
  177    HB3  SER1908           HB1      SER1908   9.961   8.825   1.593
  178    HG   SER1908           HG       SER1908  11.719   7.185   1.651
  179    H    LEU1909           HN       LEU1909   7.751   5.706   2.827
  180    HA   LEU1909           HA       LEU1909   5.627   6.865   1.407
  181    HB2  LEU1909           HB2      LEU1909   6.626   4.209   2.178
  182    HB3  LEU1909           HB1      LEU1909   4.993   4.404   1.618
  183    HG   LEU1909           HG       LEU1909   5.983   5.378  -0.520
  184   HD11  LEU1909          HD11      LEU1909   8.567   4.334   0.624
  185   HD12  LEU1909          HD12      LEU1909   8.165   6.028   0.339
  186   HD13  LEU1909          HD13      LEU1909   8.320   4.921  -1.024
  187   HD21  LEU1909          HD21      LEU1909   6.602   3.212  -1.432
  188   HD22  LEU1909          HD22      LEU1909   5.177   3.121  -0.399
  189   HD23  LEU1909          HD23      LEU1909   6.734   2.566   0.206
  190    H    LYS1910           HN       LYS1910   6.132   5.108   4.436
  191    HA   LYS1910           HA       LYS1910   3.423   5.432   5.215
  192    HB2  LYS1910           HB2      LYS1910   4.273   4.736   7.537
  193    HB3  LYS1910           HB1      LYS1910   4.491   3.566   6.250
  194    HG2  LYS1910           HG2      LYS1910   6.855   4.310   6.059
  195    HG3  LYS1910           HG1      LYS1910   6.592   5.364   7.444
  196    HD2  LYS1910           HD2      LYS1910   6.269   3.591   8.893
  197    HD3  LYS1910           HD1      LYS1910   6.063   2.386   7.609
  198    HE2  LYS1910           HE2      LYS1910   8.463   2.927   6.928
  199    HE3  LYS1910           HE1      LYS1910   8.591   3.856   8.408
  200    HZ1  LYS1910           HZ1      LYS1910   8.353   1.765   9.691
  201    HZ2  LYS1910           HZ2      LYS1910   9.558   1.648   8.514
  202    HZ3  LYS1910           HZ3      LYS1910   8.112   0.905   8.246
  203    H    ARG1911           HN       ARG1911   2.497   7.163   5.861
  204    HA   ARG1911           HA       ARG1911   4.024   9.267   7.125
  205    HB2  ARG1911           HB2      ARG1911   3.027  10.905   5.483
  206    HB3  ARG1911           HB1      ARG1911   4.283   9.855   4.842
  207    HG2  ARG1911           HG2      ARG1911   2.490   8.391   3.922
  208    HG3  ARG1911           HG1      ARG1911   1.315   9.602   4.433
  209    HD2  ARG1911           HD2      ARG1911   1.882   9.867   2.088
  210    HD3  ARG1911           HD1      ARG1911   2.407  11.262   3.030
  211    HE   ARG1911           HE       ARG1911   4.551   9.504   2.889
  212   HH11  ARG1911          HH11      ARG1911   2.611  11.412   0.602
  213   HH12  ARG1911          HH12      ARG1911   3.891  11.726  -0.457
  214   HH21  ARG1911          HH21      ARG1911   6.313   9.884   1.420
  215   HH22  ARG1911          HH22      ARG1911   6.065  10.793  -0.005
  216    H    GLU1912           HN       GLU1912   2.626  10.930   7.957
  217    HA   GLU1912           HA       GLU1912   0.688   9.861   9.628
  218    HB2  GLU1912           HB2      GLU1912   1.092  12.740   8.870
  219    HB3  GLU1912           HB1      GLU1912   0.093  12.184  10.205
  220    HG2  GLU1912           HG2      GLU1912   2.073  11.175  11.246
  221    HG3  GLU1912           HG1      GLU1912   3.058  11.769   9.909
  222    H    SER1913           HN       SER1913   0.021  11.858   6.725
  223    HA   SER1913           HA       SER1913  -2.809  11.513   7.116
  224    HB2  SER1913           HB2      SER1913  -1.945  13.614   6.148
  225    HB3  SER1913           HB1      SER1913  -1.231  12.724   4.812
  226    HG   SER1913           HG       SER1913  -4.016  12.598   5.326
  227    H    GLY1914           HN       GLY1914  -0.566  10.678   4.521
  228    HA2  GLY1914           HA2      GLY1914  -0.554   8.259   3.892
  229    HA3  GLY1914           HA1      GLY1914  -2.321   8.423   3.850
  230    H    TYR1915           HN       TYR1915  -2.022   7.747   1.578
  231    HA   TYR1915           HA       TYR1915  -1.482  10.096  -0.011
  232    HB2  TYR1915           HB2      TYR1915  -0.424   8.632  -1.762
  233    HB3  TYR1915           HB1      TYR1915   0.530   8.850  -0.302
  234    HD1  TYR1915           HD1      TYR1915   0.760   6.985   1.304
  235    HD2  TYR1915           HD2      TYR1915  -1.244   6.505  -2.409
  236    HE1  TYR1915           HE1      TYR1915   0.932   4.551   1.528
  237    HE2  TYR1915           HE2      TYR1915  -1.071   4.076  -2.197
  238    HH   TYR1915           HH       TYR1915   0.323   2.384  -1.011
  239    H    THR1916           HN       THR1916  -2.406   9.967  -2.157
  240    HA   THR1916           HA       THR1916  -4.748   8.239  -2.353
  241    HB   THR1916           HB       THR1916  -5.434  10.335  -1.075
  242    HG1  THR1916           HG1      THR1916  -7.219   9.852  -2.041
  243   HG21  THR1916          HG21      THR1916  -3.874  11.903  -2.101
  244   HG22  THR1916          HG22      THR1916  -5.535  12.448  -2.353
  245   HG23  THR1916          HG23      THR1916  -4.646  11.670  -3.666
  246    H    ILE1917           HN       ILE1917  -5.470   7.923  -4.037
  247    HA   ILE1917           HA       ILE1917  -4.256   8.943  -6.452
  248    HB   ILE1917           HB       ILE1917  -4.318   6.547  -7.234
  249   HG12  ILE1917          HG12      ILE1917  -4.053   6.005  -4.275
  250   HG13  ILE1917          HG11      ILE1917  -5.371   5.504  -5.325
  251   HG21  ILE1917          HG21      ILE1917  -2.267   7.790  -7.150
  252   HG22  ILE1917          HG22      ILE1917  -1.951   6.155  -6.566
  253   HG23  ILE1917          HG23      ILE1917  -2.106   7.484  -5.419
  254   HD11  ILE1917          HD11      ILE1917  -2.519   4.545  -5.465
  255   HD12  ILE1917          HD12      ILE1917  -3.821   4.063  -6.544
  256   HD13  ILE1917          HD13      ILE1917  -3.902   3.646  -4.830
  257    H    THR1918           HN       THR1918  -5.549   7.944  -8.341
  258    HA   THR1918           HA       THR1918  -8.362   8.218  -7.654
  259    HB   THR1918           HB       THR1918  -7.164   7.874 -10.411
  260    HG1  THR1918           HG1      THR1918  -6.048   9.549  -9.543
  261   HG21  THR1918          HG21      THR1918  -9.629   7.783 -10.193
  262   HG22  THR1918          HG22      THR1918  -9.113   9.219 -11.081
  263   HG23  THR1918          HG23      THR1918  -9.607   9.356  -9.394
  264    H    ASP1919           HN       ASP1919  -9.872   6.588  -8.116
  265    HA   ASP1919           HA       ASP1919  -8.832   3.904  -8.231
  266    HB2  ASP1919           HB2      ASP1919 -10.665   4.325  -6.678
  267    HB3  ASP1919           HB1      ASP1919 -11.628   5.076  -7.936
  268    H    SER1920           HN       SER1920 -10.373   2.466  -9.766
  269    HA   SER1920           HA       SER1920  -9.785   3.199 -12.462
  270    HB2  SER1920           HB2      SER1920 -11.564   1.032 -11.363
  271    HB3  SER1920           HB1      SER1920 -10.811   1.061 -12.964
  272    HG   SER1920           HG       SER1920  -8.967   1.435 -11.072
  273    H    HIS1921           HN       HIS1921 -12.050   4.312 -10.395
  274    HA   HIS1921           HA       HIS1921 -14.040   4.929 -12.470
  275    HB2  HIS1921           HB2      HIS1921 -14.530   4.495  -9.499
  276    HB3  HIS1921           HB1      HIS1921 -15.746   4.978 -10.672
  277    HD1  HIS1921           HD1      HIS1921 -13.857   2.071  -9.399
  278    HD2  HIS1921           HD2      HIS1921 -16.664   2.868 -12.344
  279    HE1  HIS1921           HE1      HIS1921 -14.720  -0.183 -10.150
  280    HE2  HIS1921           HE2      HIS1921 -16.269   0.315 -12.034
  281    H    ASN1922           HN       ASN1922 -15.414   6.846 -11.006
  282    HA   ASN1922           HA       ASN1922 -13.778   9.158 -11.159
  283    HB2  ASN1922           HB2      ASN1922 -16.275   8.948 -11.371
  284    HB3  ASN1922           HB1      ASN1922 -16.339   8.820  -9.649
  285   HD21  ASN1922          HD21      ASN1922 -14.072  11.010 -11.276
  286   HD22  ASN1922          HD22      ASN1922 -14.811  12.443 -10.675
  287    H    ARG1923           HN       ARG1923 -14.988   7.263  -8.626
  288    HA   ARG1923           HA       ARG1923 -14.248   8.672  -6.332
  289    HB2  ARG1923           HB2      ARG1923 -14.300   6.560  -5.098
  290    HB3  ARG1923           HB1      ARG1923 -15.670   6.740  -6.180
  291    HG2  ARG1923           HG2      ARG1923 -14.530   5.242  -7.796
  292    HG3  ARG1923           HG1      ARG1923 -13.240   5.031  -6.612
  293    HD2  ARG1923           HD2      ARG1923 -14.822   4.128  -5.011
  294    HD3  ARG1923           HD1      ARG1923 -16.140   4.369  -6.155
  295    HE   ARG1923           HE       ARG1923 -13.980   2.749  -7.135
  296   HH11  ARG1923          HH11      ARG1923 -17.042   2.734  -5.328
  297   HH12  ARG1923          HH12      ARG1923 -17.444   1.130  -5.730
  298   HH21  ARG1923          HH21      ARG1923 -14.431   0.448  -7.499
  299   HH22  ARG1923          HH22      ARG1923 -15.902  -0.232  -6.974
  300    H    LYS1924           HN       LYS1924 -12.549   8.250  -4.714
  301    HA   LYS1924           HA       LYS1924  -9.968   7.930  -6.062
  302    HB2  LYS1924           HB2      LYS1924 -10.707   9.430  -3.552
  303    HB3  LYS1924           HB1      LYS1924  -9.077   9.269  -4.184
  304    HG2  LYS1924           HG2      LYS1924  -9.601  10.572  -6.099
  305    HG3  LYS1924           HG1      LYS1924 -11.327  10.541  -5.722
  306    HD2  LYS1924           HD2      LYS1924 -10.331  12.695  -5.113
  307    HD3  LYS1924           HD1      LYS1924 -10.911  11.834  -3.691
  308    HE2  LYS1924           HE2      LYS1924  -8.579  11.053  -3.293
  309    HE3  LYS1924           HE1      LYS1924  -8.053  12.074  -4.633
  310    HZ1  LYS1924           HZ1      LYS1924  -8.897  14.006  -3.432
  311    HZ2  LYS1924           HZ2      LYS1924  -7.779  13.198  -2.457
  312    HZ3  LYS1924           HZ3      LYS1924  -9.420  13.027  -2.181
  313    H    ILE1925           HN       ILE1925  -8.286   6.950  -4.868
  314    HA   ILE1925           HA       ILE1925  -9.227   4.926  -2.986
  315    HB   ILE1925           HB       ILE1925  -6.733   4.874  -4.724
  316   HG12  ILE1925          HG12      ILE1925  -9.297   3.300  -4.967
  317   HG13  ILE1925          HG11      ILE1925  -8.793   4.601  -6.035
  318   HG21  ILE1925          HG21      ILE1925  -6.470   3.682  -2.618
  319   HG22  ILE1925          HG22      ILE1925  -6.540   2.553  -3.968
  320   HG23  ILE1925          HG23      ILE1925  -7.950   2.780  -2.932
  321   HD11  ILE1925          HD11      ILE1925  -8.357   2.402  -7.066
  322   HD12  ILE1925          HD12      ILE1925  -7.353   1.958  -5.690
  323   HD13  ILE1925          HD13      ILE1925  -6.848   3.258  -6.754
  324    H    GLU1926           HN       GLU1926  -8.774   5.466  -1.041
  325    HA   GLU1926           HA       GLU1926  -6.531   7.228  -0.380
  326    HB2  GLU1926           HB2      GLU1926  -8.716   6.048   1.349
  327    HB3  GLU1926           HB1      GLU1926  -7.555   7.268   1.847
  328    HG2  GLU1926           HG2      GLU1926  -9.603   7.655  -0.321
  329    HG3  GLU1926           HG1      GLU1926  -9.824   8.125   1.363
  330    H    LEU1927           HN       LEU1927  -4.614   6.190   0.106
  331    HA   LEU1927           HA       LEU1927  -4.819   3.625   1.541
  332    HB2  LEU1927           HB2      LEU1927  -2.678   4.113  -0.549
  333    HB3  LEU1927           HB1      LEU1927  -3.076   2.638   0.314
  334    HG   LEU1927           HG       LEU1927  -4.920   3.840  -1.709
  335   HD11  LEU1927          HD11      LEU1927  -4.029   2.182  -3.236
  336   HD12  LEU1927          HD12      LEU1927  -2.890   1.636  -2.012
  337   HD13  LEU1927          HD13      LEU1927  -2.729   3.255  -2.709
  338   HD21  LEU1927          HD21      LEU1927  -5.816   1.586  -1.676
  339   HD22  LEU1927          HD22      LEU1927  -5.909   2.367  -0.100
  340   HD23  LEU1927          HD23      LEU1927  -4.666   1.149  -0.410
  341    H    ASN1928           HN       ASN1928  -3.183   3.289   2.984
  342    HA   ASN1928           HA       ASN1928  -0.977   5.186   3.054
  343    HB2  ASN1928           HB2      ASN1928  -2.711   5.905   4.776
  344    HB3  ASN1928           HB1      ASN1928  -2.468   4.357   5.570
  345   HD21  ASN1928          HD21      ASN1928  -1.979   7.143   6.452
  346   HD22  ASN1928          HD22      ASN1928  -0.350   7.201   6.953
  347    H    VAL1929           HN       VAL1929   0.854   4.159   3.222
  348    HA   VAL1929           HA       VAL1929   0.909   1.440   2.839
  349    HB   VAL1929           HB       VAL1929   3.230   3.205   3.673
  350   HG11  VAL1929          HG11      VAL1929   3.707   0.882   4.325
  351   HG12  VAL1929          HG12      VAL1929   4.702   1.378   2.956
  352   HG13  VAL1929          HG13      VAL1929   3.298   0.342   2.698
  353   HG21  VAL1929          HG21      VAL1929   3.851   2.801   1.278
  354   HG22  VAL1929          HG22      VAL1929   2.388   3.757   1.526
  355   HG23  VAL1929          HG23      VAL1929   2.268   2.060   1.072
  356    H    CYS1930           HN       CYS1930   1.931   2.995   5.805
  357    HA   CYS1930           HA       CYS1930   0.794   0.933   7.407
  358    HB2  CYS1930           HB2      CYS1930   3.020   0.085   8.320
  359    HB3  CYS1930           HB1      CYS1930   2.563  -0.465   6.713
  360    H    ALA1931           HN       ALA1931   0.679   3.727   7.374
  361    HA   ALA1931           HA       ALA1931   1.742   4.238  10.049
  362    HB1  ALA1931           HB1      ALA1931   3.094   5.412   8.435
  363    HB2  ALA1931           HB2      ALA1931   2.140   6.552   9.406
  364    HB3  ALA1931           HB3      ALA1931   1.636   6.146   7.756
  365    H    GLU1932           HN       GLU1932  -0.746   3.296   8.992
  366    HA   GLU1932           HA       GLU1932  -2.899   3.344   9.254
  367    HB2  GLU1932           HB2      GLU1932  -2.313   5.391  11.399
  368    HB3  GLU1932           HB1      GLU1932  -3.843   4.581  11.077
  369    HG2  GLU1932           HG2      GLU1932  -2.815   3.495  12.945
  370    HG3  GLU1932           HG1      GLU1932  -2.802   2.415  11.569
  371    H    ALA1933           HN       ALA1933  -4.477   4.009   7.980
  372    HA   ALA1933           HA       ALA1933  -4.203   6.480   6.595
  373    HB1  ALA1933           HB1      ALA1933  -6.530   4.543   6.634
  374    HB2  ALA1933           HB2      ALA1933  -5.182   4.504   5.501
  375    HB3  ALA1933           HB3      ALA1933  -6.304   5.862   5.486
  376    H    LYS1934           HN       LYS1934  -4.405   8.185   7.721
  377    HA   LYS1934           HA       LYS1934  -6.288   8.432   9.904
  378    HB2  LYS1934           HB2      LYS1934  -3.891   9.098   9.981
  379    HB3  LYS1934           HB1      LYS1934  -4.245  10.340   8.804
  380    HG2  LYS1934           HG2      LYS1934  -5.615  11.510  10.383
  381    HG3  LYS1934           HG1      LYS1934  -5.449  10.193  11.557
  382    HD2  LYS1934           HD2      LYS1934  -2.981  10.520  11.459
  383    HD3  LYS1934           HD1      LYS1934  -3.260  11.942  10.462
  384    HE2  LYS1934           HE2      LYS1934  -4.414  13.033  12.257
  385    HE3  LYS1934           HE1      LYS1934  -4.355  11.564  13.239
  386    HZ1  LYS1934           HZ1      LYS1934  -1.942  11.692  13.175
  387    HZ2  LYS1934           HZ2      LYS1934  -2.565  13.054  13.931
  388    HZ3  LYS1934           HZ3      LYS1934  -1.988  13.152  12.355
  389    H    SER1935           HN       SER1935  -5.807   9.524   6.652
  390    HA   SER1935           HA       SER1935  -7.922  11.496   6.871
  391    HB2  SER1935           HB2      SER1935  -6.013  10.859   4.623
  392    HB3  SER1935           HB1      SER1935  -7.119  12.237   4.689
  393    HG   SER1935           HG       SER1935  -6.018  12.632   6.802
  394    H    SER1936           HN       SER1936  -9.852  11.319   5.859
  395    HA   SER1936           HA       SER1936 -11.647  10.533   4.837
  396    HB2  SER1936           HB2      SER1936  -9.803   8.659   3.344
  397    HB3  SER1936           HB1      SER1936 -11.485   9.000   2.931
  398    HG   SER1936           HG       SER1936  -9.301  10.314   2.249
  399    H    CYS1937           HN       CYS1937  -9.523   7.940   5.831
  400    HA   CYS1937           HA       CYS1937 -11.725   6.275   6.569
  401    HB2  CYS1937           HB2      CYS1937  -8.794   5.878   7.238
  402    HB3  CYS1937           HB1      CYS1937 -10.033   4.640   7.061
  403    H    ALA1938           HN       ALA1938 -10.778   5.273   9.130
  404    HA   ALA1938           HA       ALA1938 -10.673   7.728  10.726
  405    HB1  ALA1938           HB1      ALA1938 -11.479   4.980  11.611
  406    HB2  ALA1938           HB2      ALA1938 -12.608   6.317  11.278
  407    HB3  ALA1938           HB3      ALA1938 -11.427   6.415  12.610
  408    H    ASN1939           HN       ASN1939  -9.710   4.428  11.639
  409    HA   ASN1939           HA       ASN1939  -7.279   5.662  12.411
  410    HB2  ASN1939           HB2      ASN1939  -8.716   5.417  14.331
  411    HB3  ASN1939           HB1      ASN1939  -8.857   3.691  14.033
  412   HD21  ASN1939          HD21      ASN1939  -5.865   5.570  13.767
  413   HD22  ASN1939          HD22      ASN1939  -5.125   4.781  15.107
  414    H    GLY1940           HN       GLY1940  -8.571   2.356  12.431
  415    HA2  GLY1940           HA2      GLY1940  -5.934   1.295  11.883
  416    HA3  GLY1940           HA1      GLY1940  -7.348   0.392  12.385
  417    H    ALA1941           HN       ALA1941  -8.016   2.421   9.785
  418    HA   ALA1941           HA       ALA1941  -8.015   0.124   8.004
  419    HB1  ALA1941           HB1      ALA1941  -9.032   2.933   7.551
  420    HB2  ALA1941           HB2      ALA1941 -10.011   1.551   8.048
  421    HB3  ALA1941           HB3      ALA1941  -9.252   1.571   6.454
  422    H    ALA1942           HN       ALA1942  -7.128   0.414   5.777
  423    HA   ALA1942           HA       ALA1942  -4.968   2.369   5.705
  424    HB1  ALA1942           HB1      ALA1942  -4.602  -0.535   5.003
  425    HB2  ALA1942           HB2      ALA1942  -3.938   0.303   6.410
  426    HB3  ALA1942           HB3      ALA1942  -3.403   0.740   4.790
  427    H    VAL1943           HN       VAL1943  -7.137   0.185   4.001
  428    HA   VAL1943           HA       VAL1943  -6.678   1.735   1.556
  429    HB   VAL1943           HB       VAL1943  -7.767  -1.079   1.846
  430   HG11  VAL1943          HG11      VAL1943  -7.618  -1.189  -0.593
  431   HG12  VAL1943          HG12      VAL1943  -7.104   0.496  -0.635
  432   HG13  VAL1943          HG13      VAL1943  -8.722   0.088  -0.070
  433   HG21  VAL1943          HG21      VAL1943  -5.411  -1.019   2.321
  434   HG22  VAL1943          HG22      VAL1943  -5.103  -0.135   0.823
  435   HG23  VAL1943          HG23      VAL1943  -5.697  -1.797   0.766
  436    H    CYS1944           HN       CYS1944  -8.271   3.118   1.289
  437    HA   CYS1944           HA       CYS1944 -10.987   2.197   1.872
  438    HB2  CYS1944           HB2      CYS1944  -9.898   4.974   2.305
  439    HB3  CYS1944           HB1      CYS1944 -11.579   4.495   2.485
  440    H    ILE1945           HN       ILE1945 -11.795   1.849  -0.037
  441    HA   ILE1945           HA       ILE1945 -11.275   3.638  -2.271
  442    HB   ILE1945           HB       ILE1945 -13.404   1.467  -2.083
  443   HG12  ILE1945          HG12      ILE1945 -11.231   0.428  -1.566
  444   HG13  ILE1945          HG11      ILE1945 -11.828  -0.104  -3.129
  445   HG21  ILE1945          HG21      ILE1945 -13.641   3.020  -3.933
  446   HG22  ILE1945          HG22      ILE1945 -13.189   1.423  -4.536
  447   HG23  ILE1945          HG23      ILE1945 -11.981   2.708  -4.431
  448   HD11  ILE1945          HD11      ILE1945  -9.684   1.956  -2.647
  449   HD12  ILE1945          HD12      ILE1945 -10.282   1.455  -4.225
  450   HD13  ILE1945          HD13      ILE1945  -9.439   0.297  -3.194
  451    H    THR1946           HN       THR1946 -12.305   5.607  -2.094
  452    HA   THR1946           HA       THR1946 -14.706   5.576  -0.444
  453    HB   THR1946           HB       THR1946 -12.819   7.929  -0.756
  454    HG1  THR1946           HG1      THR1946 -11.624   6.119   0.025
  455   HG21  THR1946          HG21      THR1946 -15.050   8.329   0.333
  456   HG22  THR1946          HG22      THR1946 -13.699   8.498   1.477
  457   HG23  THR1946          HG23      THR1946 -14.659   7.049   1.492
  458    H    ASP1947           HN       ASP1947 -16.410   5.790  -1.698
  459    HA   ASP1947           HA       ASP1947 -16.284   7.744  -3.835
  460    HB2  ASP1947           HB2      ASP1947 -18.185   6.525  -4.972
  461    HB3  ASP1947           HB1      ASP1947 -16.648   5.695  -4.985
  462    H    GLY1948           HN       GLY1948 -16.909   9.416  -3.027
  463    HA2  GLY1948           HA2      GLY1948 -18.374  11.023  -2.214
  464    HA3  GLY1948           HA1      GLY1948 -19.663   9.844  -2.440
  465    HA   PRO1949           HA       PRO1949 -19.496   9.884   2.031
  466    HB2  PRO1949           HB2      PRO1949 -21.925   8.842   2.481
  467    HB3  PRO1949           HB1      PRO1949 -21.721  10.503   1.913
  468    HG2  PRO1949           HG2      PRO1949 -22.527   8.068   0.395
  469    HG3  PRO1949           HG1      PRO1949 -23.093   9.737   0.227
  470    HD2  PRO1949           HD2      PRO1949 -21.192   8.505  -1.394
  471    HD3  PRO1949           HD1      PRO1949 -21.436  10.255  -1.242
  472    H    LYS1950           HN       LYS1950 -19.480   7.239  -0.103
  473    HA   LYS1950           HA       LYS1950 -19.551   5.279   2.047
  474    HB2  LYS1950           HB2      LYS1950 -20.857   4.726   0.065
  475    HB3  LYS1950           HB1      LYS1950 -19.429   4.887  -0.946
  476    HG2  LYS1950           HG2      LYS1950 -18.399   2.985   0.186
  477    HG3  LYS1950           HG1      LYS1950 -19.814   2.834   1.228
  478    HD2  LYS1950           HD2      LYS1950 -21.205   2.382  -0.724
  479    HD3  LYS1950           HD1      LYS1950 -19.802   2.572  -1.773
  480    HE2  LYS1950           HE2      LYS1950 -20.293   0.215  -1.380
  481    HE3  LYS1950           HE1      LYS1950 -18.728   0.664  -0.715
  482    HZ1  LYS1950           HZ1      LYS1950 -20.070  -0.775   0.751
  483    HZ2  LYS1950           HZ2      LYS1950 -21.233   0.438   0.874
  484    HZ3  LYS1950           HZ3      LYS1950 -19.667   0.693   1.483
  485    H    THR1951           HN       THR1951 -17.808   4.591   2.933
  486    HA   THR1951           HA       THR1951 -15.253   4.918   1.554
  487    HB   THR1951           HB       THR1951 -15.787   4.703   4.534
  488    HG1  THR1951           HG1      THR1951 -16.171   6.717   2.749
  489   HG21  THR1951          HG21      THR1951 -13.552   5.742   4.708
  490   HG22  THR1951          HG22      THR1951 -13.442   5.808   2.954
  491   HG23  THR1951          HG23      THR1951 -13.460   4.247   3.774
  492    H    LEU1952           HN       LEU1952 -14.815   2.952   0.699
  493    HA   LEU1952           HA       LEU1952 -15.789   0.557   2.031
  494    HB2  LEU1952           HB2      LEU1952 -16.266   0.837  -0.349
  495    HB3  LEU1952           HB1      LEU1952 -14.555   0.972  -0.687
  496    HG   LEU1952           HG       LEU1952 -14.242  -1.369   0.033
  497   HD11  LEU1952          HD11      LEU1952 -17.245  -1.396   0.253
  498   HD12  LEU1952          HD12      LEU1952 -16.101  -1.552   1.585
  499   HD13  LEU1952          HD13      LEU1952 -16.191  -2.806   0.346
  500   HD21  LEU1952          HD21      LEU1952 -15.322  -2.398  -1.917
  501   HD22  LEU1952          HD22      LEU1952 -14.581  -0.850  -2.325
  502   HD23  LEU1952          HD23      LEU1952 -16.326  -0.961  -2.107
  503    H    ASN1953           HN       ASN1953 -14.488  -0.218   3.511
  504    HA   ASN1953           HA       ASN1953 -11.648   0.095   3.468
  505    HB2  ASN1953           HB2      ASN1953 -12.866  -0.092   5.610
  506    HB3  ASN1953           HB1      ASN1953 -13.438  -1.689   5.167
  507   HD21  ASN1953          HD21      ASN1953 -11.889  -0.769   7.481
  508   HD22  ASN1953          HD22      ASN1953 -10.456  -1.733   7.502
  509    H    ALA1954           HN       ALA1954 -10.548  -0.873   1.941
  510    HA   ALA1954           HA       ALA1954 -11.328  -3.593   1.196
  511    HB1  ALA1954           HB1      ALA1954  -9.620  -1.663  -0.372
  512    HB2  ALA1954           HB2      ALA1954 -11.332  -1.985  -0.657
  513    HB3  ALA1954           HB3      ALA1954 -10.141  -3.261  -0.902
  514    H    GLY1955           HN       GLY1955  -9.565  -2.419   3.402
  515    HA2  GLY1955           HA2      GLY1955  -7.968  -4.533   3.904
  516    HA3  GLY1955           HA1      GLY1955  -6.968  -3.452   2.933
  517    H    LYS1956           HN       LYS1956  -7.374  -4.255   5.971
  518    HA   LYS1956           HA       LYS1956  -7.549  -1.543   6.976
  519    HB2  LYS1956           HB2      LYS1956  -7.559  -2.449   9.196
  520    HB3  LYS1956           HB1      LYS1956  -8.679  -3.392   8.235
  521    HG2  LYS1956           HG2      LYS1956  -7.086  -5.200   8.091
  522    HG3  LYS1956           HG1      LYS1956  -5.875  -4.223   8.925
  523    HD2  LYS1956           HD2      LYS1956  -7.356  -4.087  10.891
  524    HD3  LYS1956           HD1      LYS1956  -8.511  -5.134  10.069
  525    HE2  LYS1956           HE2      LYS1956  -7.128  -6.360  11.677
  526    HE3  LYS1956           HE1      LYS1956  -6.891  -6.932  10.026
  527    HZ1  LYS1956           HZ1      LYS1956  -5.070  -5.003  11.386
  528    HZ2  LYS1956           HZ2      LYS1956  -4.803  -5.835   9.909
  529    HZ3  LYS1956           HZ3      LYS1956  -4.840  -6.674  11.335
  530    H    LEU1957           HN       LEU1957  -5.844  -1.157   8.803
  531    HA   LEU1957           HA       LEU1957  -3.444  -0.812   7.451
  532    HB2  LEU1957           HB2      LEU1957  -4.224   0.696   9.197
  533    HB3  LEU1957           HB1      LEU1957  -4.111  -0.562  10.394
  534    HG   LEU1957           HG       LEU1957  -2.333   1.228  10.452
  535   HD11  LEU1957          HD11      LEU1957  -0.490  -0.271  10.932
  536   HD12  LEU1957          HD12      LEU1957  -1.333  -1.589  10.127
  537   HD13  LEU1957          HD13      LEU1957  -2.000  -0.885  11.600
  538   HD21  LEU1957          HD21      LEU1957  -1.967   1.493   8.074
  539   HD22  LEU1957          HD22      LEU1957  -1.386  -0.167   7.952
  540   HD23  LEU1957          HD23      LEU1957  -0.462   1.023   8.868
  541    H    SER1958           HN       SER1958  -2.129  -2.223   6.893
  542    HA   SER1958           HA       SER1958  -1.593  -4.505   8.611
  543    HB2  SER1958           HB2      SER1958  -1.332  -4.272   5.596
  544    HB3  SER1958           HB1      SER1958  -1.128  -5.737   6.563
  545    HG   SER1958           HG       SER1958  -3.537  -4.225   6.403
  546    H    LYS1959           HN       LYS1959   0.272  -4.018   9.644
  547    HA   LYS1959           HA       LYS1959   2.250  -2.329   8.348
  548    HB2  LYS1959           HB2      LYS1959   1.179  -1.802  10.545
  549    HB3  LYS1959           HB1      LYS1959   1.896  -3.252  11.202
  550    HG2  LYS1959           HG2      LYS1959   4.021  -2.389  11.060
  551    HG3  LYS1959           HG1      LYS1959   3.496  -1.054  10.010
  552    HD2  LYS1959           HD2      LYS1959   2.484  -1.387  12.862
  553    HD3  LYS1959           HD1      LYS1959   3.892  -0.395  12.489
  554    HE2  LYS1959           HE2      LYS1959   2.640   1.088  11.184
  555    HE3  LYS1959           HE1      LYS1959   1.231   0.062  11.160
  556    HZ1  LYS1959           HZ1      LYS1959   2.288   1.514  13.566
  557    HZ2  LYS1959           HZ2      LYS1959   0.982   0.438  13.530
  558    HZ3  LYS1959           HZ3      LYS1959   0.905   1.844  12.624
  559    H    THR1960           HN       THR1960   1.475  -5.403   8.266
  560    HA   THR1960           HA       THR1960   3.929  -6.726   8.937
  561    HB   THR1960           HB       THR1960   1.710  -7.760   7.169
  562    HG1  THR1960           HG1      THR1960   0.415  -7.852   8.762
  563   HG21  THR1960          HG21      THR1960   3.532  -9.074   9.190
  564   HG22  THR1960          HG22      THR1960   3.705  -9.152   7.435
  565   HG23  THR1960          HG23      THR1960   2.312  -9.900   8.220
  566    H    LEU1961           HN       LEU1961   5.620  -6.756   7.538
  567    HA   LEU1961           HA       LEU1961   5.123  -5.988   4.752
  568    HB2  LEU1961           HB2      LEU1961   6.203  -4.221   6.246
  569    HB3  LEU1961           HB1      LEU1961   7.557  -5.315   6.391
  570    HG   LEU1961           HG       LEU1961   7.858  -5.251   3.971
  571   HD11  LEU1961          HD11      LEU1961   5.741  -3.103   4.083
  572   HD12  LEU1961          HD12      LEU1961   5.610  -4.665   3.275
  573   HD13  LEU1961          HD13      LEU1961   6.750  -3.456   2.682
  574   HD21  LEU1961          HD21      LEU1961   9.185  -3.813   5.413
  575   HD22  LEU1961          HD22      LEU1961   7.930  -2.576   5.356
  576   HD23  LEU1961          HD23      LEU1961   8.826  -2.991   3.894
  577    H    THR1962           HN       THR1962   6.176  -7.300   3.250
  578    HA   THR1962           HA       THR1962   8.093  -9.175   4.295
  579    HB   THR1962           HB       THR1962   6.247 -10.484   4.673
  580    HG1  THR1962           HG1      THR1962   6.399 -11.523   2.139
  581   HG21  THR1962          HG21      THR1962   4.551  -9.093   3.721
  582   HG22  THR1962          HG22      THR1962   4.306 -10.746   3.151
  583   HG23  THR1962          HG23      THR1962   5.017  -9.531   2.076
  584    H    TYR1963           HN       TYR1963   9.619  -9.754   2.874
  585    HA   TYR1963           HA       TYR1963   9.506  -8.444   0.293
  586    HB2  TYR1963           HB2      TYR1963  11.914  -9.116   0.094
  587    HB3  TYR1963           HB1      TYR1963  11.583  -8.095   1.482
  588    HD1  TYR1963           HD1      TYR1963  12.369 -11.541   0.410
  589    HD2  TYR1963           HD2      TYR1963  12.023  -8.877   3.703
  590    HE1  TYR1963           HE1      TYR1963  13.513 -13.172   1.839
  591    HE2  TYR1963           HE2      TYR1963  13.166 -10.510   5.144
  592    HH   TYR1963           HH       TYR1963  14.752 -13.264   3.830
  593    H    GLU1964           HN       GLU1964   9.478  -9.513  -1.634
  594    HA   GLU1964           HA       GLU1964   9.349 -12.424  -1.553
  595    HB2  GLU1964           HB2      GLU1964   7.103 -11.517  -1.250
  596    HB3  GLU1964           HB1      GLU1964   7.293 -10.573  -2.714
  597    HG2  GLU1964           HG2      GLU1964   7.468 -12.662  -3.989
  598    HG3  GLU1964           HG1      GLU1964   7.177 -13.562  -2.494
  599    H    ASP1965           HN       ASP1965  11.050 -12.773  -2.805
  600    HA   ASP1965           HA       ASP1965  12.434 -12.907  -4.601
  601    HB2  ASP1965           HB2      ASP1965   9.939 -12.021  -6.079
  602    HB3  ASP1965           HB1      ASP1965  11.437 -12.441  -6.899
  603    H    GLN1966           HN       GLN1966  12.565 -10.778  -3.038
  604    HA   GLN1966           HA       GLN1966  13.542  -8.864  -2.719
  605    HB2  GLN1966           HB2      GLN1966  14.434  -9.090  -5.586
  606    HB3  GLN1966           HB1      GLN1966  14.905  -7.737  -4.558
  607    HG2  GLN1966           HG2      GLN1966  15.829  -9.366  -2.930
  608    HG3  GLN1966           HG1      GLN1966  15.465 -10.653  -4.069
  609   HE21  GLN1966          HE21      GLN1966  16.302  -9.148  -6.417
  610   HE22  GLN1966          HE22      GLN1966  18.028  -9.036  -6.326
  611    H    VAL1967           HN       VAL1967  10.922  -8.958  -4.744
  612    HA   VAL1967           HA       VAL1967  10.560  -6.074  -4.681
  613    HB   VAL1967           HB       VAL1967   8.598  -8.279  -5.506
  614   HG11  VAL1967          HG11      VAL1967   7.402  -6.314  -4.702
  615   HG12  VAL1967          HG12      VAL1967   7.220  -6.493  -6.448
  616   HG13  VAL1967          HG13      VAL1967   8.334  -5.291  -5.796
  617   HG21  VAL1967          HG21      VAL1967  10.461  -8.066  -7.038
  618   HG22  VAL1967          HG22      VAL1967  10.164  -6.332  -7.174
  619   HG23  VAL1967          HG23      VAL1967   8.968  -7.484  -7.773
  620    H    LEU1968           HN       LEU1968   9.387  -5.063  -3.143
  621    HA   LEU1968           HA       LEU1968   8.968  -6.590  -0.740
  622    HB2  LEU1968           HB2      LEU1968  10.066  -4.345  -0.844
  623    HB3  LEU1968           HB1      LEU1968   8.525  -3.666  -1.323
  624    HG   LEU1968           HG       LEU1968   7.571  -4.305   0.833
  625   HD11  LEU1968          HD11      LEU1968   9.082  -5.133   2.604
  626   HD12  LEU1968          HD12      LEU1968  10.379  -5.214   1.429
  627   HD13  LEU1968          HD13      LEU1968   8.981  -6.281   1.263
  628   HD21  LEU1968          HD21      LEU1968  10.156  -2.770   1.016
  629   HD22  LEU1968          HD22      LEU1968   8.834  -2.709   2.182
  630   HD23  LEU1968          HD23      LEU1968   8.592  -2.113   0.540
  631    H    LYS1969           HN       LYS1969   6.993  -7.273  -0.067
  632    HA   LYS1969           HA       LYS1969   4.678  -6.286  -1.583
  633    HB2  LYS1969           HB2      LYS1969   5.019  -9.059  -0.427
  634    HB3  LYS1969           HB1      LYS1969   3.588  -8.458  -1.224
  635    HG2  LYS1969           HG2      LYS1969   6.267  -9.048  -2.461
  636    HG3  LYS1969           HG1      LYS1969   4.758  -9.920  -2.699
  637    HD2  LYS1969           HD2      LYS1969   3.860  -7.709  -3.644
  638    HD3  LYS1969           HD1      LYS1969   5.548  -7.202  -3.702
  639    HE2  LYS1969           HE2      LYS1969   4.190  -9.416  -5.223
  640    HE3  LYS1969           HE1      LYS1969   5.108  -8.057  -5.853
  641    HZ1  LYS1969           HZ1      LYS1969   6.532  -9.894  -6.093
  642    HZ2  LYS1969           HZ2      LYS1969   5.998 -10.567  -4.687
  643    HZ3  LYS1969           HZ3      LYS1969   7.093  -9.271  -4.604
  644    H    LEU1970           HN       LEU1970   2.873  -5.823  -0.487
  645    HA   LEU1970           HA       LEU1970   2.643  -6.514   2.312
  646    HB2  LEU1970           HB2      LEU1970   3.720  -4.151   1.925
  647    HB3  LEU1970           HB1      LEU1970   2.130  -3.686   1.370
  648    HG   LEU1970           HG       LEU1970   2.790  -4.681   4.152
  649   HD11  LEU1970          HD11      LEU1970   2.423  -2.377   4.855
  650   HD12  LEU1970          HD12      LEU1970   2.233  -1.897   3.170
  651   HD13  LEU1970          HD13      LEU1970   3.781  -2.526   3.738
  652   HD21  LEU1970          HD21      LEU1970   0.239  -3.479   3.075
  653   HD22  LEU1970          HD22      LEU1970   0.550  -3.904   4.757
  654   HD23  LEU1970          HD23      LEU1970   0.473  -5.167   3.527
  655    H    VAL1971           HN       VAL1971   0.690  -7.402   2.439
  656    HA   VAL1971           HA       VAL1971  -1.358  -6.638   0.458
  657    HB   VAL1971           HB       VAL1971  -2.471  -8.812   1.086
  658   HG11  VAL1971          HG11      VAL1971  -1.132  -8.608  -0.930
  659   HG12  VAL1971          HG12      VAL1971  -0.941 -10.214  -0.223
  660   HG13  VAL1971          HG13      VAL1971   0.327  -9.002  -0.020
  661   HG21  VAL1971          HG21      VAL1971  -1.389  -9.194   3.261
  662   HG22  VAL1971          HG22      VAL1971   0.168  -9.388   2.454
  663   HG23  VAL1971          HG23      VAL1971  -1.124 -10.555   2.172
  664    H    TYR1972           HN       TYR1972  -2.741  -5.320   1.109
  665    HA   TYR1972           HA       TYR1972  -3.216  -4.872   3.929
  666    HB2  TYR1972           HB2      TYR1972  -4.418  -3.427   1.494
  667    HB3  TYR1972           HB1      TYR1972  -4.645  -3.003   3.188
  668    HD1  TYR1972           HD1      TYR1972  -2.278  -3.203   0.410
  669    HD2  TYR1972           HD2      TYR1972  -2.989  -1.857   4.366
  670    HE1  TYR1972           HE1      TYR1972  -0.269  -1.811   0.287
  671    HE2  TYR1972           HE2      TYR1972  -0.988  -0.463   4.251
  672    HH   TYR1972           HH       TYR1972   0.985  -0.319   3.097
  673    H    GLU1973           HN       GLU1973  -4.372  -6.328   4.833
  674    HA   GLU1973           HA       GLU1973  -6.575  -7.466   3.295
  675    HB2  GLU1973           HB2      GLU1973  -6.146  -9.530   4.630
  676    HB3  GLU1973           HB1      GLU1973  -4.919  -9.066   3.468
  677    HG2  GLU1973           HG2      GLU1973  -3.566  -8.146   5.273
  678    HG3  GLU1973           HG1      GLU1973  -4.801  -8.638   6.436
  679    H    ASP1974           HN       ASP1974  -7.781  -8.979   5.109
  680    HA   ASP1974           HA       ASP1974  -9.492  -9.013   6.566
  681    HB2  ASP1974           HB2      ASP1974  -7.562  -8.424   8.180
  682    HB3  ASP1974           HB1      ASP1974  -8.124  -6.763   8.084
  683    H    GLY1975           HN       GLY1975  -9.548  -7.376   4.251
  684    HA2  GLY1975           HA2      GLY1975 -10.708  -4.853   4.683
  685    HA3  GLY1975           HA1      GLY1975 -10.878  -5.816   3.221
  686    H    ASP1976           HN       ASP1976 -12.938  -4.252   4.102
  687    HA   ASP1976           HA       ASP1976 -14.775  -5.569   5.824
  688    HB2  ASP1976           HB2      ASP1976 -14.747  -3.114   5.402
  689    HB3  ASP1976           HB1      ASP1976 -15.238  -3.414   3.742
  690    HA   PRO1977           HA       PRO1977 -15.943  -8.789   2.978
  691    HB2  PRO1977           HB2      PRO1977 -18.372  -8.830   4.703
  692    HB3  PRO1977           HB1      PRO1977 -17.299 -10.156   4.234
  693    HG2  PRO1977           HG2      PRO1977 -17.161  -9.145   6.671
  694    HG3  PRO1977           HG1      PRO1977 -15.681  -9.577   5.793
  695    HD2  PRO1977           HD2      PRO1977 -16.885  -6.880   6.263
  696    HD3  PRO1977           HD1      PRO1977 -15.179  -7.377   6.295
  697    H    CYS1978           HN       CYS1978 -16.615  -8.318   1.081
  698    HA   CYS1978           HA       CYS1978 -18.805  -6.459   0.527
  699    HB2  CYS1978           HB2      CYS1978 -17.094  -8.096  -1.359
  700    HB3  CYS1978           HB1      CYS1978 -18.132  -6.746  -1.788
  701    HA   PRO1979           HA       PRO1979 -21.855  -9.694  -0.124
  702    HB2  PRO1979           HB2      PRO1979 -22.715  -9.153  -2.731
  703    HB3  PRO1979           HB1      PRO1979 -23.368  -8.422  -1.265
  704    HG2  PRO1979           HG2      PRO1979 -21.345  -7.354  -3.179
  705    HG3  PRO1979           HG1      PRO1979 -22.636  -6.501  -2.316
  706    HD2  PRO1979           HD2      PRO1979 -20.085  -6.320  -1.532
  707    HD3  PRO1979           HD1      PRO1979 -21.405  -6.386  -0.342
  708    H    THR1980           HN       THR1980 -19.333  -9.239  -2.659
  709    HA   THR1980           HA       THR1980 -19.668 -11.823  -3.718
  710    HB   THR1980           HB       THR1980 -17.621 -10.664  -4.884
  711    HG1  THR1980           HG1      THR1980 -17.734  -8.459  -4.796
  712   HG21  THR1980          HG21      THR1980 -19.210  -9.679  -6.502
  713   HG22  THR1980          HG22      THR1980 -20.503  -9.836  -5.312
  714   HG23  THR1980          HG23      THR1980 -19.749 -11.279  -5.988
  715    H    ASP1981           HN       ASP1981 -18.120 -10.538  -0.979
  716    HA   ASP1981           HA       ASP1981 -16.068 -12.575  -0.886
  717    HB2  ASP1981           HB2      ASP1981 -15.072 -10.732  -2.155
  718    HB3  ASP1981           HB1      ASP1981 -15.361  -9.617  -0.818
  719    H    LEU1982           HN       LEU1982 -17.782 -12.986   0.604
  720    HA   LEU1982           HA       LEU1982 -17.923 -11.421   3.089
  721    HB2  LEU1982           HB2      LEU1982 -19.443 -13.823   2.131
  722    HB3  LEU1982           HB1      LEU1982 -19.744 -12.953   3.613
  723    HG   LEU1982           HG       LEU1982 -19.965 -11.611   0.946
  724   HD11  LEU1982          HD11      LEU1982 -21.290 -13.640   0.997
  725   HD12  LEU1982          HD12      LEU1982 -22.314 -12.194   0.984
  726   HD13  LEU1982          HD13      LEU1982 -22.071 -13.116   2.486
  727   HD21  LEU1982          HD21      LEU1982 -21.458 -10.160   2.214
  728   HD22  LEU1982          HD22      LEU1982 -19.854 -10.221   2.952
  729   HD23  LEU1982          HD23      LEU1982 -21.186 -11.139   3.658
  730    H    LYS1983           HN       LYS1983 -17.447 -14.633   1.872
  731    HA   LYS1983           HA       LYS1983 -16.610 -15.655   4.517
  732    HB2  LYS1983           HB2      LYS1983 -17.690 -16.986   2.048
  733    HB3  LYS1983           HB1      LYS1983 -17.108 -17.907   3.449
  734    HG2  LYS1983           HG2      LYS1983 -19.382 -15.946   3.345
  735    HG3  LYS1983           HG1      LYS1983 -19.532 -17.704   3.393
  736    HD2  LYS1983           HD2      LYS1983 -18.457 -17.726   5.604
  737    HD3  LYS1983           HD1      LYS1983 -18.314 -15.968   5.552
  738    HE2  LYS1983           HE2      LYS1983 -20.891 -17.531   5.502
  739    HE3  LYS1983           HE1      LYS1983 -20.228 -16.683   6.896
  740    HZ1  LYS1983           HZ1      LYS1983 -21.916 -15.365   5.824
  741    HZ2  LYS1983           HZ2      LYS1983 -21.154 -15.460   4.350
  742    HZ3  LYS1983           HZ3      LYS1983 -20.420 -14.598   5.641
  743    H    MET1984           HN       MET1984 -15.071 -14.133   2.623
  744    HA   MET1984           HA       MET1984 -12.691 -15.538   2.634
  745    HB2  MET1984           HB2      MET1984 -12.349 -15.041   0.159
  746    HB3  MET1984           HB1      MET1984 -13.501 -16.332   0.453
  747    HG2  MET1984           HG2      MET1984 -15.334 -14.621   0.137
  748    HG3  MET1984           HG1      MET1984 -14.078 -13.489  -0.350
  749    HE1  MET1984           HE1      MET1984 -12.659 -15.186  -3.593
  750    HE2  MET1984           HE2      MET1984 -12.071 -15.391  -1.941
  751    HE3  MET1984           HE3      MET1984 -12.562 -13.797  -2.512
  752    H    LYS1985           HN       LYS1985 -11.189 -13.864   2.693
  753    HA   LYS1985           HA       LYS1985 -12.422 -11.223   2.890
  754    HB2  LYS1985           HB2      LYS1985 -10.545 -12.474   4.894
  755    HB3  LYS1985           HB1      LYS1985 -10.960 -10.763   4.883
  756    HG2  LYS1985           HG2      LYS1985 -13.269 -11.246   5.320
  757    HG3  LYS1985           HG1      LYS1985 -12.997 -12.974   5.100
  758    HD2  LYS1985           HD2      LYS1985 -13.185 -12.420   7.458
  759    HD3  LYS1985           HD1      LYS1985 -11.562 -12.993   7.080
  760    HE2  LYS1985           HE2      LYS1985 -10.809 -10.636   6.988
  761    HE3  LYS1985           HE1      LYS1985 -12.429 -10.132   7.473
  762    HZ1  LYS1985           HZ1      LYS1985 -10.874 -10.264   9.341
  763    HZ2  LYS1985           HZ2      LYS1985 -10.665 -11.916   9.042
  764    HZ3  LYS1985           HZ3      LYS1985 -12.174 -11.339   9.538
  765    H    HIS1986           HN       HIS1986 -11.744 -10.434   1.174
  766    HA   HIS1986           HA       HIS1986  -9.490 -10.550  -0.251
  767    HB2  HIS1986           HB2      HIS1986  -9.953  -8.286  -1.095
  768    HB3  HIS1986           HB1      HIS1986 -11.345  -9.348  -1.064
  769    HD1  HIS1986           HD1      HIS1986 -10.556  -5.990  -0.495
  770    HD2  HIS1986           HD2      HIS1986 -12.922  -8.724   1.528
  771    HE1  HIS1986           HE1      HIS1986 -12.196  -4.624   0.836
  772    HE2  HIS1986           HE2      HIS1986 -13.786  -6.318   1.778
  773    H    LYS1987           HN       LYS1987  -7.508  -9.819  -0.416
  774    HA   LYS1987           HA       LYS1987  -6.511  -7.886   1.494
  775    HB2  LYS1987           HB2      LYS1987  -4.311  -9.052   1.282
  776    HB3  LYS1987           HB1      LYS1987  -5.529 -10.078   2.017
  777    HG2  LYS1987           HG2      LYS1987  -5.787 -11.324  -0.025
  778    HG3  LYS1987           HG1      LYS1987  -4.739 -10.208  -0.891
  779    HD2  LYS1987           HD2      LYS1987  -3.389 -12.087  -0.466
  780    HD3  LYS1987           HD1      LYS1987  -2.907 -10.909   0.740
  781    HE2  LYS1987           HE2      LYS1987  -4.814 -13.205   1.243
  782    HE3  LYS1987           HE1      LYS1987  -3.090 -13.262   1.573
  783    HZ1  LYS1987           HZ1      LYS1987  -5.129 -11.555   2.909
  784    HZ2  LYS1987           HZ2      LYS1987  -3.472 -11.406   3.224
  785    HZ3  LYS1987           HZ3      LYS1987  -4.269 -12.812   3.579
  786    H    SER1988           HN       SER1988  -5.596  -6.180   0.494
  787    HA   SER1988           HA       SER1988  -5.562  -6.205  -2.410
  788    HB2  SER1988           HB2      SER1988  -5.199  -3.943  -0.423
  789    HB3  SER1988           HB1      SER1988  -5.293  -3.760  -2.188
  790    HG   SER1988           HG       SER1988  -7.301  -4.365  -0.332
  791    H    TYR1989           HN       TYR1989  -3.794  -6.467  -3.499
  792    HA   TYR1989           HA       TYR1989  -1.300  -6.971  -2.130
  793    HB2  TYR1989           HB2      TYR1989  -2.173  -7.180  -4.971
  794    HB3  TYR1989           HB1      TYR1989  -0.531  -7.557  -4.459
  795    HD1  TYR1989           HD2      TYR1989  -4.086  -8.567  -4.174
  796    HD2  TYR1989           HD1      TYR1989  -0.037  -9.667  -3.520
  797    HE1  TYR1989           HE2      TYR1989  -4.790 -10.872  -3.716
  798    HE2  TYR1989           HE1      TYR1989  -0.728 -11.969  -3.062
  799    HH   TYR1989           HH       TYR1989  -2.664 -13.157  -2.333
  800    H    PHE1990           HN       PHE1990   0.100  -5.360  -1.775
  801    HA   PHE1990           HA       PHE1990   0.309  -3.350  -3.873
  802    HB2  PHE1990           HB2      PHE1990  -0.324  -2.803  -1.333
  803    HB3  PHE1990           HB1      PHE1990   1.425  -2.891  -1.149
  804    HD1  PHE1990           HD2      PHE1990   2.488  -1.696  -3.516
  805    HD2  PHE1990           HD1      PHE1990  -0.980  -0.624  -1.319
  806    HE1  PHE1990           HE2      PHE1990   2.645   0.585  -4.381
  807    HE2  PHE1990           HE1      PHE1990  -0.824   1.664  -2.192
  808    HZ   PHE1990           HZ       PHE1990   0.993   2.271  -3.724
  809    H    SER1991           HN       SER1991   2.038  -3.675  -5.051
  810    HA   SER1991           HA       SER1991   4.290  -5.098  -3.910
  811    HB2  SER1991           HB2      SER1991   4.883  -5.132  -6.478
  812    HB3  SER1991           HB1      SER1991   3.707  -6.264  -5.808
  813    HG   SER1991           HG       SER1991   2.172  -5.316  -6.827
  814    H    PHE1992           HN       PHE1992   6.011  -4.020  -3.371
  815    HA   PHE1992           HA       PHE1992   6.407  -1.336  -4.434
  816    HB2  PHE1992           HB2      PHE1992   7.516  -2.645  -1.936
  817    HB3  PHE1992           HB1      PHE1992   7.843  -0.998  -2.455
  818    HD1  PHE1992           HD2      PHE1992   6.030   0.692  -2.405
  819    HD2  PHE1992           HD1      PHE1992   5.525  -3.221  -0.833
  820    HE1  PHE1992           HE2      PHE1992   4.052   1.453  -1.161
  821    HE2  PHE1992           HE1      PHE1992   3.559  -2.491   0.407
  822    HZ   PHE1992           HZ       PHE1992   2.829  -0.071   0.253
  823    H    VAL1993           HN       VAL1993   7.751  -1.315  -6.016
  824    HA   VAL1993           HA       VAL1993  10.054  -3.127  -6.007
  825    HB   VAL1993           HB       VAL1993   8.575  -3.879  -7.759
  826   HG11  VAL1993          HG11      VAL1993   7.756  -2.444  -9.551
  827   HG12  VAL1993          HG12      VAL1993   8.428  -1.036  -8.717
  828   HG13  VAL1993          HG13      VAL1993   7.142  -1.989  -7.964
  829   HG21  VAL1993          HG21      VAL1993  10.919  -3.849  -8.426
  830   HG22  VAL1993          HG22      VAL1993  10.725  -2.194  -9.018
  831   HG23  VAL1993          HG23      VAL1993   9.872  -3.515  -9.814
  832    H    CYS1994           HN       CYS1994  12.033  -2.210  -6.745
  833    HA   CYS1994           HA       CYS1994  12.172   0.588  -6.171
  834    HB2  CYS1994           HB2      CYS1994  14.698   0.033  -6.436
  835    HB3  CYS1994           HB1      CYS1994  13.804  -0.513  -5.024
  836    H    LYS1995           HN       LYS1995  11.996   2.067  -7.622
  837    HA   LYS1995           HA       LYS1995  13.435   1.746 -10.122
  838    HB2  LYS1995           HB2      LYS1995  10.530   2.332  -9.924
  839    HB3  LYS1995           HB1      LYS1995  11.471   3.016 -11.234
  840    HG2  LYS1995           HG2      LYS1995  12.182   0.836 -11.886
  841    HG3  LYS1995           HG1      LYS1995  11.201   0.087 -10.605
  842    HD2  LYS1995           HD2      LYS1995   9.220   1.118 -11.609
  843    HD3  LYS1995           HD1      LYS1995  10.233   1.809 -12.873
  844    HE2  LYS1995           HE2      LYS1995  10.890  -0.451 -13.596
  845    HE3  LYS1995           HE1      LYS1995   9.868  -1.151 -12.341
  846    HZ1  LYS1995           HZ1      LYS1995   8.929   0.487 -14.635
  847    HZ2  LYS1995           HZ2      LYS1995   7.949  -0.111 -13.419
  848    HZ3  LYS1995           HZ3      LYS1995   8.713  -1.177 -14.464
  849    H    SER1996           HN       SER1996  14.555   3.346 -10.690
  850    HA   SER1996           HA       SER1996  14.647   5.793  -9.251
  851    HB2  SER1996           HB2      SER1996  15.895   5.101 -11.919
  852    HB3  SER1996           HB1      SER1996  16.442   6.323 -10.766
  853    HG   SER1996           HG       SER1996  17.043   4.736  -9.349
  854    H    ASP1997           HN       ASP1997  12.666   4.599 -11.720
  855    HA   ASP1997           HA       ASP1997  12.063   6.817 -13.312
  856    HB2  ASP1997           HB2      ASP1997  10.232   4.615 -12.338
  857    HB3  ASP1997           HB1      ASP1997   9.852   5.739 -13.634
  858    H    ALA1998           HN       ALA1998  11.233   6.020 -10.080
  859    HA   ALA1998           HA       ALA1998   9.606   8.465  -9.911
  860    HB1  ALA1998           HB1      ALA1998   8.334   6.447  -9.320
  861    HB2  ALA1998           HB2      ALA1998   8.539   7.521  -7.933
  862    HB3  ALA1998           HB3      ALA1998   9.534   6.071  -8.083
  863    H    GLY1999           HN       GLY1999  11.898   6.406  -8.131
  864    HA2  GLY1999           HA2      GLY1999  13.542   6.964  -6.625
  865    HA3  GLY1999           HA1      GLY1999  13.593   8.530  -7.427
  866    H    ASP2000           HN       ASP2000  13.416  10.097  -5.989
  867    HA   ASP2000           HA       ASP2000  12.096   9.676  -3.467
  868    HB2  ASP2000           HB2      ASP2000  12.879  11.781  -2.751
  869    HB3  ASP2000           HB1      ASP2000  14.145  11.184  -3.804
  870    H    ASP2001           HN       ASP2001  11.093  10.793  -6.506
  871    HA   ASP2001           HA       ASP2001   8.985  12.570  -5.870
  872    HB2  ASP2001           HB2      ASP2001   9.771  12.188  -8.193
  873    HB3  ASP2001           HB1      ASP2001   9.170  10.536  -8.095
  874    H    SER2002           HN       SER2002   8.865   9.142  -6.589
  875    HA   SER2002           HA       SER2002   7.636   7.421  -5.882
  876    HB2  SER2002           HB2      SER2002   7.732   9.080  -3.401
  877    HB3  SER2002           HB1      SER2002   6.939   7.508  -3.398
  878    HG   SER2002           HG       SER2002   9.641   8.023  -4.189
  879    H    GLN2003           HN       GLN2003   5.849   6.969  -6.927
  880    HA   GLN2003           HA       GLN2003   3.396   8.012  -5.883
  881    HB2  GLN2003           HB2      GLN2003   2.531   8.312  -8.266
  882    HB3  GLN2003           HB1      GLN2003   3.678   9.513  -7.703
  883    HG2  GLN2003           HG2      GLN2003   4.382   9.090  -9.857
  884    HG3  GLN2003           HG1      GLN2003   5.446   8.081  -8.891
  885   HE21  GLN2003          HE21      GLN2003   2.092   7.354  -9.718
  886   HE22  GLN2003          HE22      GLN2003   2.477   6.025 -10.741
  887    HA   PRO2004           HA       PRO2004   2.382   3.745  -6.234
  888    HB2  PRO2004           HB2      PRO2004  -0.291   4.182  -5.453
  889    HB3  PRO2004           HB1      PRO2004   1.079   3.850  -4.391
  890    HG2  PRO2004           HG2      PRO2004  -0.376   6.258  -4.531
  891    HG3  PRO2004           HG1      PRO2004   1.167   6.001  -3.707
  892    HD2  PRO2004           HD2      PRO2004   0.605   7.204  -6.361
  893    HD3  PRO2004           HD1      PRO2004   1.897   7.574  -5.197
  894    H    VAL2005           HN       VAL2005   1.964   2.671  -8.074
  895    HA   VAL2005           HA       VAL2005   0.182   3.780 -10.064
  896    HB   VAL2005           HB       VAL2005   1.764   1.195 -10.109
  897   HG11  VAL2005          HG11      VAL2005   0.522   2.756 -12.363
  898   HG12  VAL2005          HG12      VAL2005  -0.033   1.209 -11.725
  899   HG13  VAL2005          HG13      VAL2005   1.525   1.314 -12.543
  900   HG21  VAL2005          HG21      VAL2005   3.294   3.054  -9.831
  901   HG22  VAL2005          HG22      VAL2005   2.552   3.896 -11.192
  902   HG23  VAL2005          HG23      VAL2005   3.433   2.392 -11.459
  903    H    PHE2006           HN       PHE2006  -1.882   3.237 -10.057
  904    HA   PHE2006           HA       PHE2006  -2.698   0.865  -8.604
  905    HB2  PHE2006           HB2      PHE2006  -5.039   1.672  -8.942
  906    HB3  PHE2006           HB1      PHE2006  -4.030   2.817  -8.085
  907    HD1  PHE2006           HD2      PHE2006  -3.229   4.867  -9.294
  908    HD2  PHE2006           HD1      PHE2006  -6.106   2.222 -10.987
  909    HE1  PHE2006           HE2      PHE2006  -3.879   6.607 -10.904
  910    HE2  PHE2006           HE1      PHE2006  -6.756   3.957 -12.602
  911    HZ   PHE2006           HZ       PHE2006  -5.724   6.166 -12.512
  912    H    LEU2007           HN       LEU2007  -3.165  -0.981  -9.536
  913    HA   LEU2007           HA       LEU2007  -3.006  -1.068 -12.415
  914    HB2  LEU2007           HB2      LEU2007  -3.014  -3.242 -10.314
  915    HB3  LEU2007           HB1      LEU2007  -3.144  -3.603 -12.018
  916    HG   LEU2007           HG       LEU2007  -0.893  -2.628 -12.392
  917   HD11  LEU2007          HD11      LEU2007  -0.780  -1.022 -10.580
  918   HD12  LEU2007          HD12      LEU2007   0.580  -2.143 -10.474
  919   HD13  LEU2007          HD13      LEU2007  -0.800  -2.324  -9.399
  920   HD21  LEU2007          HD21      LEU2007   0.386  -4.403 -11.297
  921   HD22  LEU2007          HD22      LEU2007  -1.111  -5.005 -12.011
  922   HD23  LEU2007          HD23      LEU2007  -1.002  -4.758 -10.268
  923    H    SER2008           HN       SER2008  -5.164  -2.806 -10.146
  924    HA   SER2008           HA       SER2008  -7.489  -1.703 -11.400
  925    HB2  SER2008           HB2      SER2008  -6.889  -4.663 -11.738
  926    HB3  SER2008           HB1      SER2008  -8.406  -3.870 -12.154
  927    HG   SER2008           HG       SER2008  -6.337  -2.607 -13.316
  928    H    PHE2009           HN       PHE2009  -9.260  -1.911 -10.067
  929    HA   PHE2009           HA       PHE2009  -8.920  -3.537  -7.660
  930    HB2  PHE2009           HB2      PHE2009  -9.420  -1.125  -7.251
  931    HB3  PHE2009           HB1      PHE2009 -10.867  -1.268  -8.242
  932    HD1  PHE2009           HD1      PHE2009  -9.322  -2.205  -5.039
  933    HD2  PHE2009           HD2      PHE2009 -12.895  -2.224  -7.339
  934    HE1  PHE2009           HE1      PHE2009 -10.607  -2.811  -3.035
  935    HE2  PHE2009           HE2      PHE2009 -14.183  -2.832  -5.330
  936    HZ   PHE2009           HZ       PHE2009 -13.039  -3.127  -3.181
  937    H    ASP2010           HN       ASP2010  -9.911  -5.422  -7.779
  938    HA   ASP2010           HA       ASP2010 -12.010  -5.813  -9.758
  939    HB2  ASP2010           HB2      ASP2010 -10.265  -7.492  -9.718
  940    HB3  ASP2010           HB1      ASP2010 -10.506  -7.746  -7.990
  941    H    GLU2011           HN       GLU2011 -14.074  -5.657  -9.151
  942    HA   GLU2011           HA       GLU2011 -14.671  -5.470  -6.323
  943    HB2  GLU2011           HB2      GLU2011 -16.539  -5.141  -8.671
  944    HB3  GLU2011           HB1      GLU2011 -16.862  -4.690  -7.000
  945    HG2  GLU2011           HG2      GLU2011 -14.920  -3.108  -7.167
  946    HG3  GLU2011           HG1      GLU2011 -14.886  -3.478  -8.887
  947    H    GLN2012           HN       GLN2012 -14.407  -7.987  -8.367
  948    HA   GLN2012           HA       GLN2012 -16.782  -9.397  -7.600
  949    HB2  GLN2012           HB2      GLN2012 -15.746  -9.783  -9.814
  950    HB3  GLN2012           HB1      GLN2012 -14.314 -10.425  -9.025
  951    HG2  GLN2012           HG2      GLN2012 -15.562 -12.292  -8.169
  952    HG3  GLN2012           HG1      GLN2012 -17.063 -11.588  -8.776
  953   HE21  GLN2012          HE21      GLN2012 -17.505 -11.683 -10.931
  954   HE22  GLN2012          HE22      GLN2012 -16.660 -12.711 -12.033
  955    H    THR2013           HN       THR2013 -13.405  -9.379  -6.664
  956    HA   THR2013           HA       THR2013 -14.295 -10.755  -4.219
  957    HB   THR2013           HB       THR2013 -12.835 -12.261  -5.492
  958    HG1  THR2013           HG1      THR2013 -12.455 -11.716  -2.972
  959   HG21  THR2013          HG21      THR2013 -10.746 -10.088  -5.310
  960   HG22  THR2013          HG22      THR2013 -11.573 -10.622  -6.774
  961   HG23  THR2013          HG23      THR2013 -10.477 -11.717  -5.930
  962    H    CYS2014           HN       CYS2014 -13.717  -7.855  -5.248
  963    HA   CYS2014           HA       CYS2014 -13.011  -5.866  -4.453
  964    HB2  CYS2014           HB2      CYS2014 -13.483  -7.305  -1.849
  965    HB3  CYS2014           HB1      CYS2014 -13.104  -5.588  -1.940
  966    H    THR2015           HN       THR2015 -10.975  -7.647  -5.172
  967    HA   THR2015           HA       THR2015  -8.817  -7.018  -3.304
  968    HB   THR2015           HB       THR2015  -9.011  -9.038  -5.556
  969    HG1  THR2015           HG1      THR2015 -10.140  -9.483  -3.517
  970   HG21  THR2015          HG21      THR2015  -6.824  -9.879  -4.788
  971   HG22  THR2015          HG22      THR2015  -6.737  -8.573  -3.605
  972   HG23  THR2015          HG23      THR2015  -6.698  -8.203  -5.328
  973    H    SER2016           HN       SER2016  -7.223  -5.620  -3.962
  974    HA   SER2016           HA       SER2016  -7.412  -4.701  -6.722
  975    HB2  SER2016           HB2      SER2016  -8.230  -3.079  -4.967
  976    HB3  SER2016           HB1      SER2016  -6.578  -3.031  -4.351
  977    HG   SER2016           HG       SER2016  -7.470  -1.489  -6.132
  978    H    TYR2017           HN       TYR2017  -5.395  -3.755  -7.458
  979    HA   TYR2017           HA       TYR2017  -3.000  -5.025  -6.305
  980    HB2  TYR2017           HB2      TYR2017  -3.582  -4.705  -9.260
  981    HB3  TYR2017           HB1      TYR2017  -2.153  -5.433  -8.545
  982    HD1  TYR2017           HD2      TYR2017  -2.394  -7.632  -7.337
  983    HD2  TYR2017           HD1      TYR2017  -5.523  -5.942  -9.668
  984    HE1  TYR2017           HE2      TYR2017  -3.479  -9.834  -7.472
  985    HE2  TYR2017           HE1      TYR2017  -6.611  -8.129  -9.813
  986    HH   TYR2017           HH       TYR2017  -5.687 -10.796  -7.891
  987    H    PHE2018           HN       PHE2018  -1.534  -3.525  -5.848
  988    HA   PHE2018           HA       PHE2018  -1.447  -1.086  -7.472
  989    HB2  PHE2018           HB2      PHE2018  -1.034  -1.236  -4.478
  990    HB3  PHE2018           HB1      PHE2018  -0.911   0.202  -5.476
  991    HD1  PHE2018           HD2      PHE2018  -3.101   0.782  -6.822
  992    HD2  PHE2018           HD1      PHE2018  -2.953  -1.628  -3.322
  993    HE1  PHE2018           HE2      PHE2018  -5.471   1.253  -6.404
  994    HE2  PHE2018           HE1      PHE2018  -5.327  -1.157  -2.890
  995    HZ   PHE2018           HZ       PHE2018  -6.587   0.295  -4.431
  996    H    SER2019           HN       SER2019   0.607  -0.350  -7.857
  997    HA   SER2019           HA       SER2019   2.820  -1.893  -6.730
  998    HB2  SER2019           HB2      SER2019   2.399  -1.171  -9.634
  999    HB3  SER2019           HB1      SER2019   3.905  -1.817  -9.007
 1000    HG   SER2019           HG       SER2019   2.472  -3.574  -8.186
 1001    H    TRP2020           HN       TRP2020   4.213  -0.575  -5.805
 1002    HA   TRP2020           HA       TRP2020   4.295   2.219  -6.716
 1003    HB2  TRP2020           HB2      TRP2020   3.511   1.794  -4.327
 1004    HB3  TRP2020           HB1      TRP2020   5.127   1.196  -3.994
 1005    HD1  TRP2020           HD1      TRP2020   6.783   3.499  -5.478
 1006    HE1  TRP2020           HE1      TRP2020   6.875   5.826  -4.445
 1007    HE3  TRP2020           HE3      TRP2020   2.612   3.243  -2.562
 1008    HZ2  TRP2020           HZ2      TRP2020   5.374   7.386  -2.636
 1009    HZ3  TRP2020           HZ3      TRP2020   2.017   5.204  -1.206
 1010    HH2  TRP2020           HH2      TRP2020   3.367   7.227  -1.241
 1011    H    HIS2021           HN       HIS2021   5.971   2.455  -7.903
 1012    HA   HIS2021           HA       HIS2021   8.311   0.878  -7.323
 1013    HB2  HIS2021           HB2      HIS2021   9.241   1.722  -9.507
 1014    HB3  HIS2021           HB1      HIS2021   7.803   0.732  -9.633
 1015    HD1  HIS2021           HD1      HIS2021   8.869   4.348  -9.857
 1016    HD2  HIS2021           HD2      HIS2021   5.735   1.900 -11.011
 1017    HE1  HIS2021           HE1      HIS2021   7.500   5.707 -11.469
 1018    HE2  HIS2021           HE2      HIS2021   5.593   4.248 -12.106
 1019    H    THR2022           HN       THR2022   9.241   1.688  -5.631
 1020    HA   THR2022           HA       THR2022  10.225   4.442  -5.767
 1021    HB   THR2022           HB       THR2022   8.328   4.376  -4.172
 1022    HG1  THR2022           HG1      THR2022   9.615   5.837  -3.321
 1023   HG21  THR2022          HG21      THR2022   8.554   3.085  -2.062
 1024   HG22  THR2022          HG22      THR2022   9.989   2.302  -2.721
 1025   HG23  THR2022          HG23      THR2022   8.417   2.044  -3.480
 1026    H    SER2023           HN       SER2023  12.212   4.785  -4.719
 1027    HA   SER2023           HA       SER2023  14.112   2.772  -4.950
 1028    HB2  SER2023           HB2      SER2023  14.269   5.317  -3.376
 1029    HB3  SER2023           HB1      SER2023  15.605   4.448  -4.149
 1030    HG   SER2023           HG       SER2023  15.113   5.965  -5.585
 1031    H    LEU2024           HN       LEU2024  12.083   3.699  -2.250
 1032    HA   LEU2024           HA       LEU2024  13.744   2.678  -0.147
 1033    HB2  LEU2024           HB2      LEU2024  10.788   3.317  -0.193
 1034    HB3  LEU2024           HB1      LEU2024  11.626   2.766   1.236
 1035    HG   LEU2024           HG       LEU2024  11.315   5.106   1.419
 1036   HD11  LEU2024          HD11      LEU2024  14.165   4.551   0.706
 1037   HD12  LEU2024          HD12      LEU2024  13.393   4.322   2.276
 1038   HD13  LEU2024          HD13      LEU2024  13.580   5.946   1.613
 1039   HD21  LEU2024          HD21      LEU2024  12.660   5.399  -1.264
 1040   HD22  LEU2024          HD22      LEU2024  12.156   6.726  -0.213
 1041   HD23  LEU2024          HD23      LEU2024  10.949   5.652  -0.926
 1042    H    ALA2025           HN       ALA2025  11.786   1.202  -2.421
 1043    HA   ALA2025           HA       ALA2025  10.697  -0.928  -0.902
 1044    HB1  ALA2025           HB1      ALA2025   9.711  -0.108  -2.952
 1045    HB2  ALA2025           HB2      ALA2025  10.056  -1.838  -3.044
 1046    HB3  ALA2025           HB3      ALA2025  11.111  -0.676  -3.854
 1047    H    CYS2026           HN       CYS2026  13.319  -0.903  -3.321
 1048    HA   CYS2026           HA       CYS2026  14.624  -2.991  -1.878
 1049    HB2  CYS2026           HB2      CYS2026  14.823  -4.434  -3.962
 1050    HB3  CYS2026           HB1      CYS2026  13.274  -4.445  -3.147
 1051    H    GLU2027           HN       GLU2027  16.565  -3.715  -3.480
 1052    HA   GLU2027           HA       GLU2027  17.809  -1.174  -4.282
 1053    HB2  GLU2027           HB2      GLU2027  18.676  -2.164  -2.188
 1054    HB3  GLU2027           HB1      GLU2027  19.063  -3.630  -3.063
 1055    HG2  GLU2027           HG2      GLU2027  20.664  -2.375  -4.420
 1056    HG3  GLU2027           HG1      GLU2027  20.287  -0.921  -3.492
 1057    H    GLU2028           HN       GLU2028  16.935  -4.429  -5.142
 1058    HA   GLU2028           HA       GLU2028  18.125  -4.188  -7.747
 1059    HB2  GLU2028           HB2      GLU2028  19.884  -5.241  -6.393
 1060    HB3  GLU2028           HB1      GLU2028  18.740  -6.447  -5.830
 1061    HG2  GLU2028           HG2      GLU2028  18.440  -7.104  -8.249
 1062    HG3  GLU2028           HG1      GLU2028  19.841  -6.086  -8.594
 1063    H    GLU2029           HN       GLU2029  16.779  -5.151  -9.174
 1064    HA   GLU2029           HA       GLU2029  15.421  -7.557  -8.718
 1065    HB2  GLU2029           HB2      GLU2029  13.964  -5.331  -7.833
 1066    HB3  GLU2029           HB1      GLU2029  13.326  -5.651  -9.441
 1067    HG2  GLU2029           HG2      GLU2029  13.507  -7.648  -7.193
 1068    HG3  GLU2029           HG1      GLU2029  12.053  -6.803  -7.702
 1069    H    VAL2030           HN       VAL2030  14.813  -8.413 -10.664
 1070    HA   VAL2030           HA       VAL2030  16.019  -6.996 -12.891
 1071    HB   VAL2030           HB       VAL2030  16.789  -9.261 -12.497
 1072   HG11  VAL2030          HG11      VAL2030  13.979 -10.191 -13.000
 1073   HG12  VAL2030          HG12      VAL2030  14.868 -10.265 -11.479
 1074   HG13  VAL2030          HG13      VAL2030  15.393 -11.237 -12.854
 1075   HG21  VAL2030          HG21      VAL2030  15.218  -9.062 -15.063
 1076   HG22  VAL2030          HG22      VAL2030  16.515 -10.217 -14.755
 1077   HG23  VAL2030          HG23      VAL2030  16.863  -8.489 -14.787
 1078    HA   PRO2031           HA       PRO2031  11.913  -5.967 -14.307
 1079    HB2  PRO2031           HB2      PRO2031  12.638  -4.078 -16.083
 1080    HB3  PRO2031           HB1      PRO2031  12.668  -3.797 -14.338
 1081    HG2  PRO2031           HG2      PRO2031  14.920  -4.344 -16.211
 1082    HG3  PRO2031           HG1      PRO2031  14.879  -3.306 -14.777
 1083    HD2  PRO2031           HD2      PRO2031  15.942  -5.885 -14.889
 1084    HD3  PRO2031           HD1      PRO2031  15.499  -5.013 -13.411
 1085    H    ARG2032           HN       ARG2032  14.533  -7.123 -16.255
 1086    HA   ARG2032           HA       ARG2032  12.665  -7.765 -18.411
 1087    HB2  ARG2032           HB2      ARG2032  15.668  -7.472 -18.487
 1088    HB3  ARG2032           HB1      ARG2032  14.709  -8.096 -19.815
 1089    HG2  ARG2032           HG2      ARG2032  13.527  -5.939 -19.937
 1090    HG3  ARG2032           HG1      ARG2032  14.575  -5.326 -18.650
 1091    HD2  ARG2032           HD2      ARG2032  16.525  -5.702 -20.004
 1092    HD3  ARG2032           HD1      ARG2032  15.553  -6.446 -21.264
 1093    HE   ARG2032           HE       ARG2032  14.959  -3.695 -20.536
 1094   HH11  ARG2032          HH11      ARG2032  16.363  -5.994 -22.832
 1095   HH12  ARG2032          HH12      ARG2032  16.603  -4.880 -24.082
 1096   HH21  ARG2032          HH21      ARG2032  15.261  -2.094 -22.301
 1097   HH22  ARG2032          HH22      ARG2032  15.888  -2.623 -23.789
  Start of MODEL   16
    1    H1   MET1885           HT1      MET1885   5.902  12.735   7.903
    2    H2   MET1885           HT2      MET1885   5.361  14.322   7.681
    3    H3   MET1885           HT3      MET1885   7.001  13.948   7.540
    4    HA   MET1885           HA       MET1885   4.870  12.973   5.752
    5    HB2  MET1885           HB2      MET1885   5.370  15.329   5.350
    6    HB3  MET1885           HB1      MET1885   7.092  14.987   5.334
    7    HG2  MET1885           HG2      MET1885   6.293  15.289   3.086
    8    HG3  MET1885           HG1      MET1885   6.798  13.617   3.330
    9    HE1  MET1885           HE1      MET1885   5.135  14.387   0.828
   10    HE2  MET1885           HE2      MET1885   3.908  13.120   0.811
   11    HE3  MET1885           HE3      MET1885   5.574  12.726   1.225
   12    H    LYS1886           HN       LYS1886   8.412  13.297   6.186
   13    HA   LYS1886           HA       LYS1886   8.680  10.728   4.822
   14    HB2  LYS1886           HB2      LYS1886  10.660  13.013   5.020
   15    HB3  LYS1886           HB1      LYS1886  10.952  11.477   4.219
   16    HG2  LYS1886           HG2      LYS1886   9.186  11.973   2.606
   17    HG3  LYS1886           HG1      LYS1886   8.878  13.510   3.417
   18    HD2  LYS1886           HD2      LYS1886  11.169  14.218   2.910
   19    HD3  LYS1886           HD1      LYS1886  11.452  12.684   2.087
   20    HE2  LYS1886           HE2      LYS1886   9.376  14.731   1.296
   21    HE3  LYS1886           HE1      LYS1886  10.952  14.543   0.536
   22    HZ1  LYS1886           HZ1      LYS1886   9.184  13.466  -0.714
   23    HZ2  LYS1886           HZ2      LYS1886   8.853  12.399   0.574
   24    HZ3  LYS1886           HZ3      LYS1886  10.322  12.349  -0.214
   25    H    SER1887           HN       SER1887   9.172   9.180   6.121
   26    HA   SER1887           HA       SER1887   9.972   7.950   7.705
   27    HB2  SER1887           HB2      SER1887  12.155   9.034   7.615
   28    HB3  SER1887           HB1      SER1887  11.596  10.341   8.658
   29    HG   SER1887           HG       SER1887  12.580   9.024  10.024
   30    H    ASN1888           HN       ASN1888   8.060   7.548   8.416
   31    HA   ASN1888           HA       ASN1888   7.219   8.913  10.886
   32    HB2  ASN1888           HB2      ASN1888   5.689   9.289   8.885
   33    HB3  ASN1888           HB1      ASN1888   5.480   7.538   8.894
   34   HD21  ASN1888          HD21      ASN1888   3.218   7.946   9.119
   35   HD22  ASN1888          HD22      ASN1888   2.575   8.307  10.678
   36    H    VAL1889           HN       VAL1889   7.670   7.695  12.456
   37    HA   VAL1889           HA       VAL1889   7.718   4.830  12.109
   38    HB   VAL1889           HB       VAL1889   9.695   5.738  13.169
   39   HG11  VAL1889          HG11      VAL1889   7.923   6.767  15.367
   40   HG12  VAL1889          HG12      VAL1889   8.828   7.725  14.193
   41   HG13  VAL1889          HG13      VAL1889   9.688   6.760  15.392
   42   HG21  VAL1889          HG21      VAL1889   8.064   4.138  15.140
   43   HG22  VAL1889          HG22      VAL1889   9.817   4.331  15.187
   44   HG23  VAL1889          HG23      VAL1889   9.057   3.496  13.832
   45    H    GLN1890           HN       GLN1890   5.890   3.995  12.146
   46    HA   GLN1890           HA       GLN1890   3.772   4.701  13.974
   47    HB2  GLN1890           HB2      GLN1890   4.045   2.496  11.944
   48    HB3  GLN1890           HB1      GLN1890   2.567   2.839  12.845
   49    HG2  GLN1890           HG2      GLN1890   4.002   4.706  11.015
   50    HG3  GLN1890           HG1      GLN1890   2.561   3.804  10.570
   51   HE21  GLN1890          HE21      GLN1890   0.593   4.308  11.715
   52   HE22  GLN1890          HE22      GLN1890   0.364   5.878  12.366
   53    H    ASN1891           HN       ASN1891   6.254   2.386  13.748
   54    HA   ASN1891           HA       ASN1891   6.436   1.527  16.314
   55    HB2  ASN1891           HB2      ASN1891   4.227   0.402  16.092
   56    HB3  ASN1891           HB1      ASN1891   4.778  -0.431  14.652
   57   HD21  ASN1891          HD21      ASN1891   6.707  -0.010  17.648
   58   HD22  ASN1891          HD22      ASN1891   6.735  -1.677  18.015
   59    H    ASP1892           HN       ASP1892   6.169  -0.392  13.381
   60    HA   ASP1892           HA       ASP1892   9.006  -0.170  12.951
   61    HB2  ASP1892           HB2      ASP1892   7.684  -2.836  13.441
   62    HB3  ASP1892           HB1      ASP1892   9.157  -2.684  12.508
   63    H    CYS1893           HN       CYS1893   6.690  -2.581  11.629
   64    HA   CYS1893           HA       CYS1893   6.463  -3.241   9.515
   65    HB2  CYS1893           HB2      CYS1893   4.900  -1.389   9.405
   66    HB3  CYS1893           HB1      CYS1893   6.209  -0.252   9.111
   67    H    ARG1894           HN       ARG1894   8.619  -4.055   9.519
   68    HA   ARG1894           HA       ARG1894  10.242  -2.945   7.426
   69    HB2  ARG1894           HB2      ARG1894  12.272  -2.848   8.909
   70    HB3  ARG1894           HB1      ARG1894  11.087  -1.575   9.167
   71    HG2  ARG1894           HG2      ARG1894  10.207  -2.863  11.103
   72    HG3  ARG1894           HG1      ARG1894  11.520  -4.019  10.874
   73    HD2  ARG1894           HD2      ARG1894  11.961  -2.301  12.624
   74    HD3  ARG1894           HD1      ARG1894  13.159  -2.328  11.329
   75    HE   ARG1894           HE       ARG1894  11.794  -0.418  10.358
   76   HH11  ARG1894          HH11      ARG1894  11.617  -0.909  13.852
   77   HH12  ARG1894          HH12      ARG1894  11.710   0.726  14.239
   78   HH21  ARG1894          HH21      ARG1894  11.866   1.719  10.797
   79   HH22  ARG1894          HH22      ARG1894  11.895   2.379  12.388
   80    H    VAL1895           HN       VAL1895  11.846  -4.367   6.722
   81    HA   VAL1895           HA       VAL1895  12.317  -6.825   8.080
   82    HB   VAL1895           HB       VAL1895  10.231  -7.332   6.797
   83   HG11  VAL1895          HG11      VAL1895  10.449  -5.807   4.948
   84   HG12  VAL1895          HG12      VAL1895  10.226  -7.457   4.367
   85   HG13  VAL1895          HG13      VAL1895  11.828  -6.724   4.328
   86   HG21  VAL1895          HG21      VAL1895  12.677  -8.757   5.766
   87   HG22  VAL1895          HG22      VAL1895  11.024  -9.365   5.664
   88   HG23  VAL1895          HG23      VAL1895  11.785  -9.137   7.240
   89    H    THR1896           HN       THR1896  14.338  -7.651   7.438
   90    HA   THR1896           HA       THR1896  15.827  -5.736   5.794
   91    HB   THR1896           HB       THR1896  16.892  -7.892   7.629
   92    HG1  THR1896           HG1      THR1896  15.548  -6.157   8.620
   93   HG21  THR1896          HG21      THR1896  18.942  -6.525   7.560
   94   HG22  THR1896          HG22      THR1896  18.158  -5.410   6.437
   95   HG23  THR1896          HG23      THR1896  18.486  -7.072   5.946
   96    H    ASN1897           HN       ASN1897  16.441  -6.349   3.741
   97    HA   ASN1897           HA       ASN1897  16.475  -9.233   3.219
   98    HB2  ASN1897           HB2      ASN1897  14.979  -7.943   1.708
   99    HB3  ASN1897           HB1      ASN1897  16.368  -7.002   1.167
  100   HD21  ASN1897          HD21      ASN1897  16.330  -7.703  -0.997
  101   HD22  ASN1897          HD22      ASN1897  16.628  -9.328  -1.445
  102    HA   PRO1898           HA       PRO1898  20.873  -8.388   3.418
  103    HB2  PRO1898           HB2      PRO1898  21.579 -11.045   3.465
  104    HB3  PRO1898           HB1      PRO1898  21.174 -10.091   4.893
  105    HG2  PRO1898           HG2      PRO1898  19.539 -12.053   3.393
  106    HG3  PRO1898           HG1      PRO1898  19.563 -11.695   5.127
  107    HD2  PRO1898           HD2      PRO1898  17.622 -10.836   3.408
  108    HD3  PRO1898           HD1      PRO1898  18.047 -10.007   4.917
  109    H    ALA1899           HN       ALA1899  19.095 -10.313   1.123
  110    HA   ALA1899           HA       ALA1899  21.167 -10.826  -0.711
  111    HB1  ALA1899           HB1      ALA1899  19.398 -11.149  -2.365
  112    HB2  ALA1899           HB2      ALA1899  18.243 -10.372  -1.282
  113    HB3  ALA1899           HB3      ALA1899  18.967 -11.921  -0.837
  114    H    THR1900           HN       THR1900  18.951  -8.129  -0.351
  115    HA   THR1900           HA       THR1900  20.154  -6.595  -2.463
  116    HB   THR1900           HB       THR1900  18.273  -5.739  -0.238
  117    HG1  THR1900           HG1      THR1900  17.844  -6.777  -2.850
  118   HG21  THR1900          HG21      THR1900  19.401  -3.875  -1.324
  119   HG22  THR1900          HG22      THR1900  17.687  -3.914  -1.744
  120   HG23  THR1900          HG23      THR1900  18.893  -4.484  -2.899
  121    H    GLY1901           HN       GLY1901  20.135  -6.641   1.089
  122    HA2  GLY1901           HA2      GLY1901  21.983  -6.095   2.436
  123    HA3  GLY1901           HA1      GLY1901  22.655  -5.159   1.101
  124    H    HIS1902           HN       HIS1902  19.525  -4.487   1.133
  125    HA   HIS1902           HA       HIS1902  19.909  -2.077   2.773
  126    HB2  HIS1902           HB2      HIS1902  19.443  -1.862   0.235
  127    HB3  HIS1902           HB1      HIS1902  17.839  -2.475   0.595
  128    HD1  HIS1902           HD1      HIS1902  16.077  -0.691   1.516
  129    HD2  HIS1902           HD2      HIS1902  19.988   0.746   1.233
  130    HE1  HIS1902           HE1      HIS1902  15.919   1.740   1.782
  131    HE2  HIS1902           HE2      HIS1902  18.186   2.566   1.145
  132    H    LEU1903           HN       LEU1903  18.777  -2.115   4.573
  133    HA   LEU1903           HA       LEU1903  16.821  -4.055   5.197
  134    HB2  LEU1903           HB2      LEU1903  18.255  -2.642   6.807
  135    HB3  LEU1903           HB1      LEU1903  17.177  -1.312   6.464
  136    HG   LEU1903           HG       LEU1903  16.303  -3.900   7.785
  137   HD11  LEU1903          HD11      LEU1903  17.013  -1.249   9.025
  138   HD12  LEU1903          HD12      LEU1903  17.926  -2.753   9.166
  139   HD13  LEU1903          HD13      LEU1903  16.314  -2.630   9.871
  140   HD21  LEU1903          HD21      LEU1903  14.338  -2.617   8.482
  141   HD22  LEU1903          HD22      LEU1903  14.466  -2.653   6.722
  142   HD23  LEU1903          HD23      LEU1903  14.939  -1.205   7.611
  143    H    PHE1904           HN       PHE1904  14.623  -4.008   4.751
  144    HA   PHE1904           HA       PHE1904  13.796  -1.830   3.044
  145    HB2  PHE1904           HB2      PHE1904  12.586  -4.548   3.573
  146    HB3  PHE1904           HB1      PHE1904  11.816  -3.320   2.585
  147    HD1  PHE1904           HD2      PHE1904  14.913  -2.673   1.666
  148    HD2  PHE1904           HD1      PHE1904  12.245  -5.974   1.469
  149    HE1  PHE1904           HE2      PHE1904  16.166  -3.550  -0.228
  150    HE2  PHE1904           HE1      PHE1904  13.495  -6.870  -0.449
  151    HZ   PHE1904           HZ       PHE1904  15.232  -5.651  -1.448
  152    H    ASP1905           HN       ASP1905  13.143  -0.256   4.177
  153    HA   ASP1905           HA       ASP1905  10.874  -0.656   5.943
  154    HB2  ASP1905           HB2      ASP1905  12.999  -0.287   7.330
  155    HB3  ASP1905           HB1      ASP1905  13.111   1.298   6.569
  156    H    LEU1906           HN       LEU1906   9.378   0.726   5.430
  157    HA   LEU1906           HA       LEU1906   9.897   2.516   3.185
  158    HB2  LEU1906           HB2      LEU1906   7.340   1.440   4.347
  159    HB3  LEU1906           HB1      LEU1906   7.440   2.478   2.935
  160    HG   LEU1906           HG       LEU1906   8.759  -0.236   3.089
  161   HD11  LEU1906          HD11      LEU1906   6.317  -0.447   3.270
  162   HD12  LEU1906          HD12      LEU1906   6.947  -1.063   1.744
  163   HD13  LEU1906          HD13      LEU1906   6.148   0.506   1.789
  164   HD21  LEU1906          HD21      LEU1906   9.736   1.311   1.483
  165   HD22  LEU1906          HD22      LEU1906   8.146   1.601   0.779
  166   HD23  LEU1906          HD23      LEU1906   8.885   0.002   0.665
  167    H    THR1907           HN       THR1907  10.403   3.159   6.184
  168    HA   THR1907           HA       THR1907   8.618   4.901   7.240
  169    HB   THR1907           HB       THR1907  10.894   6.153   8.000
  170    HG1  THR1907           HG1      THR1907  11.624   3.467   7.576
  171   HG21  THR1907          HG21      THR1907   9.245   5.138   9.505
  172   HG22  THR1907          HG22      THR1907  10.878   4.636   9.955
  173   HG23  THR1907          HG23      THR1907   9.829   3.535   9.055
  174    H    SER1908           HN       SER1908  11.007   5.793   4.764
  175    HA   SER1908           HA       SER1908  10.517   8.568   5.026
  176    HB2  SER1908           HB2      SER1908  12.582   7.523   4.053
  177    HB3  SER1908           HB1      SER1908  11.640   7.093   2.629
  178    HG   SER1908           HG       SER1908  12.497   8.980   2.061
  179    H    LEU1909           HN       LEU1909   8.654   6.116   3.684
  180    HA   LEU1909           HA       LEU1909   7.216   7.973   1.935
  181    HB2  LEU1909           HB2      LEU1909   8.197   5.678   1.166
  182    HB3  LEU1909           HB1      LEU1909   6.832   5.007   2.039
  183    HG   LEU1909           HG       LEU1909   5.268   6.123   0.549
  184   HD11  LEU1909          HD11      LEU1909   7.747   7.162  -0.833
  185   HD12  LEU1909          HD12      LEU1909   6.617   8.136   0.109
  186   HD13  LEU1909          HD13      LEU1909   6.087   7.371  -1.390
  187   HD21  LEU1909          HD21      LEU1909   7.473   4.711  -0.942
  188   HD22  LEU1909          HD22      LEU1909   5.817   4.928  -1.504
  189   HD23  LEU1909          HD23      LEU1909   6.145   3.920  -0.098
  190    H    LYS1910           HN       LYS1910   7.075   6.210   4.895
  191    HA   LYS1910           HA       LYS1910   4.222   6.049   5.204
  192    HB2  LYS1910           HB2      LYS1910   6.285   6.073   7.487
  193    HB3  LYS1910           HB1      LYS1910   4.616   5.551   7.560
  194    HG2  LYS1910           HG2      LYS1910   5.015   3.591   6.384
  195    HG3  LYS1910           HG1      LYS1910   6.561   4.166   5.760
  196    HD2  LYS1910           HD2      LYS1910   7.459   4.120   8.097
  197    HD3  LYS1910           HD1      LYS1910   5.932   3.431   8.628
  198    HE2  LYS1910           HE2      LYS1910   6.261   1.416   7.431
  199    HE3  LYS1910           HE1      LYS1910   7.516   2.121   6.423
  200    HZ1  LYS1910           HZ1      LYS1910   7.896   1.559   9.358
  201    HZ2  LYS1910           HZ2      LYS1910   9.105   1.936   8.218
  202    HZ3  LYS1910           HZ3      LYS1910   8.303   0.514   8.139
  203    H    ARG1911           HN       ARG1911   2.866   7.571   5.876
  204    HA   ARG1911           HA       ARG1911   3.885   9.986   7.073
  205    HB2  ARG1911           HB2      ARG1911   2.570  11.332   5.352
  206    HB3  ARG1911           HB1      ARG1911   4.077  10.605   4.811
  207    HG2  ARG1911           HG2      ARG1911   2.754   8.735   3.843
  208    HG3  ARG1911           HG1      ARG1911   1.289   9.620   4.268
  209    HD2  ARG1911           HD2      ARG1911   3.471  10.756   2.551
  210    HD3  ARG1911           HD1      ARG1911   2.105   9.878   1.880
  211    HE   ARG1911           HE       ARG1911   1.412  12.085   3.605
  212   HH11  ARG1911          HH11      ARG1911   2.225  11.145   0.308
  213   HH12  ARG1911          HH12      ARG1911   1.360  12.380  -0.472
  214   HH21  ARG1911          HH21      ARG1911   0.203  13.867   2.564
  215   HH22  ARG1911          HH22      ARG1911   0.106  13.939   0.866
  216    H    GLU1912           HN       GLU1912   1.853  11.496   7.471
  217    HA   GLU1912           HA       GLU1912   0.336   9.941   9.281
  218    HB2  GLU1912           HB2      GLU1912  -0.760  12.029   9.949
  219    HB3  GLU1912           HB1      GLU1912   0.984  12.198   9.896
  220    HG2  GLU1912           HG2      GLU1912   0.840  13.403   7.806
  221    HG3  GLU1912           HG1      GLU1912  -0.902  13.137   7.749
  222    H    SER1913           HN       SER1913  -0.503  11.482   6.197
  223    HA   SER1913           HA       SER1913  -3.219  10.592   6.546
  224    HB2  SER1913           HB2      SER1913  -3.535  11.718   4.293
  225    HB3  SER1913           HB1      SER1913  -3.015  12.778   5.601
  226    HG   SER1913           HG       SER1913  -1.911  12.903   3.472
  227    H    GLY1914           HN       GLY1914  -1.045  10.350   3.777
  228    HA2  GLY1914           HA2      GLY1914  -0.406   7.845   3.472
  229    HA3  GLY1914           HA1      GLY1914  -2.153   7.724   3.208
  230    H    TYR1915           HN       TYR1915  -2.033   7.185   1.109
  231    HA   TYR1915           HA       TYR1915  -1.118   9.277  -0.664
  232    HB2  TYR1915           HB2      TYR1915  -0.416   6.386  -0.779
  233    HB3  TYR1915           HB1      TYR1915  -0.700   7.228  -2.305
  234    HD1  TYR1915           HD1      TYR1915   1.332   7.381   0.821
  235    HD2  TYR1915           HD2      TYR1915   0.899   8.611  -3.218
  236    HE1  TYR1915           HE1      TYR1915   3.557   8.424   0.903
  237    HE2  TYR1915           HE2      TYR1915   3.113   9.642  -3.151
  238    HH   TYR1915           HH       TYR1915   4.542  10.603  -1.465
  239    H    THR1916           HN       THR1916  -2.321   9.736  -2.305
  240    HA   THR1916           HA       THR1916  -4.964   8.436  -2.452
  241    HB   THR1916           HB       THR1916  -5.174  10.369  -0.961
  242    HG1  THR1916           HG1      THR1916  -6.906  10.144  -2.225
  243   HG21  THR1916          HG21      THR1916  -3.196  11.576  -1.643
  244   HG22  THR1916          HG22      THR1916  -4.607  12.644  -1.727
  245   HG23  THR1916          HG23      THR1916  -3.922  11.937  -3.204
  246    H    ILE1917           HN       ILE1917  -5.554   7.803  -4.005
  247    HA   ILE1917           HA       ILE1917  -4.849   9.027  -6.512
  248    HB   ILE1917           HB       ILE1917  -4.650   6.696  -7.371
  249   HG12  ILE1917          HG12      ILE1917  -4.202   6.026  -4.469
  250   HG13  ILE1917          HG11      ILE1917  -5.487   5.426  -5.509
  251   HG21  ILE1917          HG21      ILE1917  -2.444   7.728  -5.599
  252   HG22  ILE1917          HG22      ILE1917  -2.709   8.118  -7.301
  253   HG23  ILE1917          HG23      ILE1917  -2.226   6.488  -6.833
  254   HD11  ILE1917          HD11      ILE1917  -2.553   4.834  -5.780
  255   HD12  ILE1917          HD12      ILE1917  -3.822   4.252  -6.860
  256   HD13  ILE1917          HD13      ILE1917  -3.793   3.736  -5.168
  257    H    THR1918           HN       THR1918  -6.300   7.393  -8.172
  258    HA   THR1918           HA       THR1918  -8.918   7.266  -6.877
  259    HB   THR1918           HB       THR1918  -8.374   8.304  -9.679
  260    HG1  THR1918           HG1      THR1918  -7.643   9.828  -8.311
  261   HG21  THR1918          HG21      THR1918 -10.623   7.316  -9.362
  262   HG22  THR1918          HG22      THR1918 -10.719   9.066  -9.570
  263   HG23  THR1918          HG23      THR1918 -10.875   8.362  -7.962
  264    H    ASP1919           HN       ASP1919 -10.315   5.655  -7.709
  265    HA   ASP1919           HA       ASP1919  -8.968   3.379  -8.847
  266    HB2  ASP1919           HB2      ASP1919 -10.506   3.061  -6.924
  267    HB3  ASP1919           HB1      ASP1919 -11.779   3.876  -7.792
  268    H    SER1920           HN       SER1920 -10.660   2.227 -10.476
  269    HA   SER1920           HA       SER1920 -10.650   3.755 -12.877
  270    HB2  SER1920           HB2      SER1920 -11.902   1.073 -12.262
  271    HB3  SER1920           HB1      SER1920 -11.543   1.714 -13.867
  272    HG   SER1920           HG       SER1920  -9.912   0.427 -12.138
  273    H    HIS1921           HN       HIS1921 -12.587   4.239 -10.429
  274    HA   HIS1921           HA       HIS1921 -14.995   4.930 -12.010
  275    HB2  HIS1921           HB2      HIS1921 -14.892   3.759  -9.205
  276    HB3  HIS1921           HB1      HIS1921 -16.331   4.441  -9.922
  277    HD1  HIS1921           HD1      HIS1921 -17.716   2.936 -11.423
  278    HD2  HIS1921           HD2      HIS1921 -14.146   1.201 -10.181
  279    HE1  HIS1921           HE1      HIS1921 -17.904   0.522 -12.003
  280    HE2  HIS1921           HE2      HIS1921 -16.030  -0.479 -10.737
  281    H    ASN1922           HN       ASN1922 -16.322   6.300 -10.079
  282    HA   ASN1922           HA       ASN1922 -14.993   8.772  -9.776
  283    HB2  ASN1922           HB2      ASN1922 -17.466   8.351  -9.775
  284    HB3  ASN1922           HB1      ASN1922 -17.268   7.609  -8.224
  285   HD21  ASN1922          HD21      ASN1922 -16.806  10.676  -9.836
  286   HD22  ASN1922          HD22      ASN1922 -17.007  11.664  -8.424
  287    H    ARG1923           HN       ARG1923 -15.759   6.176  -7.698
  288    HA   ARG1923           HA       ARG1923 -14.658   6.887  -5.284
  289    HB2  ARG1923           HB2      ARG1923 -14.035   4.434  -4.930
  290    HB3  ARG1923           HB1      ARG1923 -15.717   4.829  -5.242
  291    HG2  ARG1923           HG2      ARG1923 -15.480   4.146  -7.518
  292    HG3  ARG1923           HG1      ARG1923 -13.770   3.781  -7.259
  293    HD2  ARG1923           HD2      ARG1923 -15.294   1.781  -7.182
  294    HD3  ARG1923           HD1      ARG1923 -14.305   2.009  -5.742
  295    HE   ARG1923           HE       ARG1923 -16.531   3.234  -4.985
  296   HH11  ARG1923          HH11      ARG1923 -16.162   0.095  -6.548
  297   HH12  ARG1923          HH12      ARG1923 -17.587  -0.563  -5.891
  298   HH21  ARG1923          HH21      ARG1923 -18.383   2.418  -4.096
  299   HH22  ARG1923          HH22      ARG1923 -18.979   0.850  -4.473
  300    H    LYS1924           HN       LYS1924 -12.856   7.263  -4.434
  301    HA   LYS1924           HA       LYS1924 -10.472   7.127  -6.107
  302    HB2  LYS1924           HB2      LYS1924 -10.951   8.512  -3.474
  303    HB3  LYS1924           HB1      LYS1924  -9.521   8.656  -4.484
  304    HG2  LYS1924           HG2      LYS1924 -10.904   9.693  -6.238
  305    HG3  LYS1924           HG1      LYS1924 -12.297   9.598  -5.162
  306    HD2  LYS1924           HD2      LYS1924 -11.503  11.800  -4.921
  307    HD3  LYS1924           HD1      LYS1924 -10.913  10.943  -3.502
  308    HE2  LYS1924           HE2      LYS1924  -9.307  11.583  -5.989
  309    HE3  LYS1924           HE1      LYS1924  -9.209  12.435  -4.455
  310    HZ1  LYS1924           HZ1      LYS1924  -8.381  10.297  -3.454
  311    HZ2  LYS1924           HZ2      LYS1924  -7.396  10.929  -4.669
  312    HZ3  LYS1924           HZ3      LYS1924  -8.363   9.625  -5.001
  313    H    ILE1925           HN       ILE1925  -8.575   6.155  -5.256
  314    HA   ILE1925           HA       ILE1925  -9.175   4.291  -3.127
  315    HB   ILE1925           HB       ILE1925  -6.803   4.219  -5.035
  316   HG12  ILE1925          HG12      ILE1925  -9.307   2.523  -4.899
  317   HG13  ILE1925          HG11      ILE1925  -8.938   3.695  -6.149
  318   HG21  ILE1925          HG21      ILE1925  -6.363   3.292  -2.795
  319   HG22  ILE1925          HG22      ILE1925  -6.397   2.021  -4.018
  320   HG23  ILE1925          HG23      ILE1925  -7.780   2.253  -2.948
  321   HD11  ILE1925          HD11      ILE1925  -8.514   1.398  -6.938
  322   HD12  ILE1925          HD12      ILE1925  -7.391   1.145  -5.612
  323   HD13  ILE1925          HD13      ILE1925  -7.008   2.318  -6.867
  324    H    GLU1926           HN       GLU1926  -8.729   4.967  -1.376
  325    HA   GLU1926           HA       GLU1926  -6.575   6.927  -0.902
  326    HB2  GLU1926           HB2      GLU1926  -8.925   6.128   0.821
  327    HB3  GLU1926           HB1      GLU1926  -7.821   7.459   1.120
  328    HG2  GLU1926           HG2      GLU1926  -9.608   7.310  -1.296
  329    HG3  GLU1926           HG1      GLU1926 -10.087   8.067   0.216
  330    H    LEU1927           HN       LEU1927  -4.762   5.981   0.002
  331    HA   LEU1927           HA       LEU1927  -5.138   3.854   1.899
  332    HB2  LEU1927           HB2      LEU1927  -3.607   2.263   0.780
  333    HB3  LEU1927           HB1      LEU1927  -5.078   2.515  -0.104
  334    HG   LEU1927           HG       LEU1927  -3.272   2.211  -1.639
  335   HD11  LEU1927          HD11      LEU1927  -4.895   3.724  -2.437
  336   HD12  LEU1927          HD12      LEU1927  -3.297   4.196  -3.014
  337   HD13  LEU1927          HD13      LEU1927  -4.056   5.083  -1.692
  338   HD21  LEU1927          HD21      LEU1927  -1.371   2.802  -0.296
  339   HD22  LEU1927          HD22      LEU1927  -1.840   4.504  -0.321
  340   HD23  LEU1927          HD23      LEU1927  -1.335   3.702  -1.810
  341    H    ASN1928           HN       ASN1928  -2.822   3.081   2.624
  342    HA   ASN1928           HA       ASN1928  -0.954   5.332   2.477
  343    HB2  ASN1928           HB2      ASN1928  -2.311   5.319   4.690
  344    HB3  ASN1928           HB1      ASN1928  -1.454   3.838   5.080
  345   HD21  ASN1928          HD21      ASN1928  -1.455   6.406   6.458
  346   HD22  ASN1928          HD22      ASN1928   0.171   6.955   6.530
  347    H    VAL1929           HN       VAL1929   1.259   4.639   2.743
  348    HA   VAL1929           HA       VAL1929   1.757   2.290   1.315
  349    HB   VAL1929           HB       VAL1929   3.299   4.124   1.114
  350   HG11  VAL1929          HG11      VAL1929   4.037   3.733   4.002
  351   HG12  VAL1929          HG12      VAL1929   3.064   5.054   3.354
  352   HG13  VAL1929          HG13      VAL1929   4.749   4.883   2.872
  353   HG21  VAL1929          HG21      VAL1929   4.306   2.006   0.703
  354   HG22  VAL1929          HG22      VAL1929   4.534   1.747   2.428
  355   HG23  VAL1929          HG23      VAL1929   5.476   2.987   1.610
  356    H    CYS1930           HN       CYS1930   2.269   2.956   4.746
  357    HA   CYS1930           HA       CYS1930   1.541   0.459   5.583
  358    HB2  CYS1930           HB2      CYS1930   3.726  -0.301   4.634
  359    HB3  CYS1930           HB1      CYS1930   4.547   0.825   5.715
  360    H    ALA1931           HN       ALA1931   0.436   2.130   6.508
  361    HA   ALA1931           HA       ALA1931   1.156   2.651   9.134
  362    HB1  ALA1931           HB1      ALA1931   1.224   4.998   7.210
  363    HB2  ALA1931           HB2      ALA1931   2.589   4.398   8.156
  364    HB3  ALA1931           HB3      ALA1931   1.207   5.128   8.971
  365    H    GLU1932           HN       GLU1932  -0.609   3.577  10.108
  366    HA   GLU1932           HA       GLU1932  -3.109   2.947   9.142
  367    HB2  GLU1932           HB2      GLU1932  -2.290   4.945  11.272
  368    HB3  GLU1932           HB1      GLU1932  -3.947   4.445  10.996
  369    HG2  GLU1932           HG2      GLU1932  -3.292   3.144  12.811
  370    HG3  GLU1932           HG1      GLU1932  -3.131   2.059  11.456
  371    H    ALA1933           HN       ALA1933  -4.471   3.921   7.721
  372    HA   ALA1933           HA       ALA1933  -3.479   6.277   6.387
  373    HB1  ALA1933           HB1      ALA1933  -4.272   4.377   5.056
  374    HB2  ALA1933           HB2      ALA1933  -5.198   5.840   4.724
  375    HB3  ALA1933           HB3      ALA1933  -5.885   4.576   5.740
  376    H    LYS1934           HN       LYS1934  -4.161   8.202   6.672
  377    HA   LYS1934           HA       LYS1934  -6.616   8.638   8.234
  378    HB2  LYS1934           HB2      LYS1934  -4.466   9.480   9.188
  379    HB3  LYS1934           HB1      LYS1934  -4.298  10.530   7.794
  380    HG2  LYS1934           HG2      LYS1934  -6.288  11.739   8.430
  381    HG3  LYS1934           HG1      LYS1934  -6.543  10.640   9.788
  382    HD2  LYS1934           HD2      LYS1934  -4.337  11.325  10.689
  383    HD3  LYS1934           HD1      LYS1934  -4.218  12.511   9.386
  384    HE2  LYS1934           HE2      LYS1934  -5.027  13.514  11.468
  385    HE3  LYS1934           HE1      LYS1934  -6.224  13.615  10.178
  386    HZ1  LYS1934           HZ1      LYS1934  -7.451  11.841  11.128
  387    HZ2  LYS1934           HZ2      LYS1934  -7.140  12.911  12.380
  388    HZ3  LYS1934           HZ3      LYS1934  -6.248  11.468  12.228
  389    H    SER1935           HN       SER1935  -5.278   8.833   5.141
  390    HA   SER1935           HA       SER1935  -6.805  11.037   4.174
  391    HB2  SER1935           HB2      SER1935  -6.055  10.001   1.941
  392    HB3  SER1935           HB1      SER1935  -4.777  10.559   3.025
  393    HG   SER1935           HG       SER1935  -5.713   7.913   2.679
  394    H    SER1936           HN       SER1936  -8.940  10.770   4.481
  395    HA   SER1936           HA       SER1936 -11.017  10.165   4.202
  396    HB2  SER1936           HB2      SER1936  -9.995   8.160   2.187
  397    HB3  SER1936           HB1      SER1936 -11.692   8.594   2.425
  398    HG   SER1936           HG       SER1936  -9.709   9.932   1.103
  399    H    CYS1937           HN       CYS1937  -8.820   7.553   4.830
  400    HA   CYS1937           HA       CYS1937 -10.803   5.982   6.129
  401    HB2  CYS1937           HB2      CYS1937  -7.781   5.777   6.377
  402    HB3  CYS1937           HB1      CYS1937  -8.946   4.512   6.731
  403    H    ALA1938           HN       ALA1938 -10.239   5.443   8.700
  404    HA   ALA1938           HA       ALA1938  -9.615   8.026   9.915
  405    HB1  ALA1938           HB1      ALA1938 -10.732   7.271  11.901
  406    HB2  ALA1938           HB2      ALA1938 -10.975   5.684  11.205
  407    HB3  ALA1938           HB3      ALA1938 -11.822   7.088  10.515
  408    H    ASN1939           HN       ASN1939  -9.388   4.796  11.358
  409    HA   ASN1939           HA       ASN1939  -6.708   5.488  12.059
  410    HB2  ASN1939           HB2      ASN1939  -8.230   5.728  13.938
  411    HB3  ASN1939           HB1      ASN1939  -8.738   4.053  13.754
  412   HD21  ASN1939          HD21      ASN1939  -6.297   6.200  14.793
  413   HD22  ASN1939          HD22      ASN1939  -5.340   5.038  15.638
  414    H    GLY1940           HN       GLY1940  -8.954   2.749  11.962
  415    HA2  GLY1940           HA2      GLY1940  -6.803   0.835  11.918
  416    HA3  GLY1940           HA1      GLY1940  -8.520   0.484  11.930
  417    H    ALA1941           HN       ALA1941  -8.871   2.260   9.572
  418    HA   ALA1941           HA       ALA1941  -8.464   0.187   7.626
  419    HB1  ALA1941           HB1      ALA1941  -9.676   1.695   6.121
  420    HB2  ALA1941           HB2      ALA1941  -9.630   2.954   7.358
  421    HB3  ALA1941           HB3      ALA1941 -10.530   1.468   7.645
  422    H    ALA1942           HN       ALA1942  -7.004   0.190   5.957
  423    HA   ALA1942           HA       ALA1942  -5.178   2.485   5.901
  424    HB1  ALA1942           HB1      ALA1942  -4.428  -0.393   5.481
  425    HB2  ALA1942           HB2      ALA1942  -4.123   0.549   6.938
  426    HB3  ALA1942           HB3      ALA1942  -3.337   0.991   5.420
  427    H    VAL1943           HN       VAL1943  -7.151   0.311   4.114
  428    HA   VAL1943           HA       VAL1943  -6.477   1.817   1.690
  429    HB   VAL1943           HB       VAL1943  -7.236  -1.128   1.776
  430   HG11  VAL1943          HG11      VAL1943  -8.067  -0.017  -0.214
  431   HG12  VAL1943          HG12      VAL1943  -6.755  -1.120  -0.635
  432   HG13  VAL1943          HG13      VAL1943  -6.457   0.619  -0.554
  433   HG21  VAL1943          HG21      VAL1943  -4.947  -0.841   2.551
  434   HG22  VAL1943          HG22      VAL1943  -4.569   0.116   1.118
  435   HG23  VAL1943          HG23      VAL1943  -4.972  -1.594   0.957
  436    H    CYS1944           HN       CYS1944  -8.218   2.963   1.233
  437    HA   CYS1944           HA       CYS1944 -10.852   1.797   1.767
  438    HB2  CYS1944           HB2      CYS1944 -10.051   4.681   2.079
  439    HB3  CYS1944           HB1      CYS1944 -11.648   4.005   2.352
  440    H    ILE1945           HN       ILE1945 -11.883   1.557  -0.012
  441    HA   ILE1945           HA       ILE1945 -11.290   3.184  -2.335
  442    HB   ILE1945           HB       ILE1945 -13.478   1.093  -2.010
  443   HG12  ILE1945          HG12      ILE1945 -11.376   0.008  -1.392
  444   HG13  ILE1945          HG11      ILE1945 -11.913  -0.570  -2.960
  445   HG21  ILE1945          HG21      ILE1945 -13.632   2.532  -3.969
  446   HG22  ILE1945          HG22      ILE1945 -13.235   0.878  -4.437
  447   HG23  ILE1945          HG23      ILE1945 -11.979   2.115  -4.415
  448   HD11  ILE1945          HD11      ILE1945  -9.743   1.466  -2.470
  449   HD12  ILE1945          HD12      ILE1945 -10.275   0.889  -4.050
  450   HD13  ILE1945          HD13      ILE1945  -9.507  -0.225  -2.916
  451    H    THR1946           HN       THR1946 -12.185   5.167  -2.178
  452    HA   THR1946           HA       THR1946 -14.582   5.386  -0.516
  453    HB   THR1946           HB       THR1946 -12.511   7.555  -0.885
  454    HG1  THR1946           HG1      THR1946 -11.466   5.657  -0.129
  455   HG21  THR1946          HG21      THR1946 -14.642   8.182   0.245
  456   HG22  THR1946          HG22      THR1946 -13.271   8.179   1.385
  457   HG23  THR1946          HG23      THR1946 -14.393   6.850   1.383
  458    H    ASP1947           HN       ASP1947 -16.216   5.521  -2.023
  459    HA   ASP1947           HA       ASP1947 -15.911   7.552  -4.072
  460    HB2  ASP1947           HB2      ASP1947 -18.080   6.745  -5.064
  461    HB3  ASP1947           HB1      ASP1947 -16.773   5.583  -5.131
  462    H    GLY1948           HN       GLY1948 -16.312   9.337  -3.594
  463    HA2  GLY1948           HA2      GLY1948 -17.353  11.229  -2.721
  464    HA3  GLY1948           HA1      GLY1948 -18.774  10.226  -2.413
  465    HA   PRO1949           HA       PRO1949 -17.192  10.476   1.783
  466    HB2  PRO1949           HB2      PRO1949 -19.533  10.297   3.044
  467    HB3  PRO1949           HB1      PRO1949 -19.073  11.782   2.202
  468    HG2  PRO1949           HG2      PRO1949 -21.008   9.673   1.402
  469    HG3  PRO1949           HG1      PRO1949 -21.046  11.416   1.084
  470    HD2  PRO1949           HD2      PRO1949 -20.173   9.388  -0.686
  471    HD3  PRO1949           HD1      PRO1949 -19.973  11.140  -0.898
  472    H    LYS1950           HN       LYS1950 -18.681   7.992   0.022
  473    HA   LYS1950           HA       LYS1950 -19.077   6.127   2.150
  474    HB2  LYS1950           HB2      LYS1950 -20.475   5.967   0.171
  475    HB3  LYS1950           HB1      LYS1950 -19.063   5.775  -0.853
  476    HG2  LYS1950           HG2      LYS1950 -18.571   3.631   0.221
  477    HG3  LYS1950           HG1      LYS1950 -19.994   3.825   1.246
  478    HD2  LYS1950           HD2      LYS1950 -21.440   3.775  -0.673
  479    HD3  LYS1950           HD1      LYS1950 -20.050   3.767  -1.760
  480    HE2  LYS1950           HE2      LYS1950 -19.370   1.598  -0.885
  481    HE3  LYS1950           HE1      LYS1950 -20.742   1.605   0.221
  482    HZ1  LYS1950           HZ1      LYS1950 -22.241   1.503  -1.612
  483    HZ2  LYS1950           HZ2      LYS1950 -21.068   0.300  -1.863
  484    HZ3  LYS1950           HZ3      LYS1950 -21.000   1.764  -2.718
  485    H    THR1951           HN       THR1951 -17.496   5.213   3.140
  486    HA   THR1951           HA       THR1951 -14.920   4.985   1.794
  487    HB   THR1951           HB       THR1951 -15.561   4.763   4.737
  488    HG1  THR1951           HG1      THR1951 -15.996   6.806   3.280
  489   HG21  THR1951          HG21      THR1951 -13.343   3.941   4.014
  490   HG22  THR1951          HG22      THR1951 -13.201   5.404   4.990
  491   HG23  THR1951          HG23      THR1951 -13.031   5.495   3.238
  492    H    LEU1952           HN       LEU1952 -14.864   2.985   0.825
  493    HA   LEU1952           HA       LEU1952 -15.908   0.670   2.255
  494    HB2  LEU1952           HB2      LEU1952 -16.531   0.899  -0.091
  495    HB3  LEU1952           HB1      LEU1952 -14.850   1.029  -0.555
  496    HG   LEU1952           HG       LEU1952 -14.509  -1.328   0.152
  497   HD11  LEU1952          HD11      LEU1952 -17.495  -1.323   0.521
  498   HD12  LEU1952          HD12      LEU1952 -16.288  -1.498   1.793
  499   HD13  LEU1952          HD13      LEU1952 -16.454  -2.745   0.556
  500   HD21  LEU1952          HD21      LEU1952 -16.693  -0.882  -1.880
  501   HD22  LEU1952          HD22      LEU1952 -15.694  -2.330  -1.746
  502   HD23  LEU1952          HD23      LEU1952 -14.958  -0.789  -2.179
  503    H    ASN1953           HN       ASN1953 -14.455   0.079   3.778
  504    HA   ASN1953           HA       ASN1953 -11.637   0.261   3.334
  505    HB2  ASN1953           HB2      ASN1953 -12.545   0.476   5.619
  506    HB3  ASN1953           HB1      ASN1953 -13.177  -1.165   5.530
  507   HD21  ASN1953          HD21      ASN1953 -11.930  -1.795   7.365
  508   HD22  ASN1953          HD22      ASN1953 -10.229  -2.036   7.211
  509    H    ALA1954           HN       ALA1954 -10.584  -1.035   2.106
  510    HA   ALA1954           HA       ALA1954 -11.672  -3.684   1.499
  511    HB1  ALA1954           HB1      ALA1954 -10.124  -3.675  -0.398
  512    HB2  ALA1954           HB2      ALA1954  -9.458  -2.136   0.144
  513    HB3  ALA1954           HB3      ALA1954 -11.133  -2.229  -0.402
  514    H    GLY1955           HN       GLY1955  -9.261  -2.136   3.325
  515    HA2  GLY1955           HA2      GLY1955  -8.266  -4.620   4.272
  516    HA3  GLY1955           HA1      GLY1955  -7.103  -3.774   3.261
  517    H    LYS1956           HN       LYS1956  -8.048  -4.242   6.337
  518    HA   LYS1956           HA       LYS1956  -7.594  -1.584   7.311
  519    HB2  LYS1956           HB2      LYS1956  -7.693  -2.574   9.537
  520    HB3  LYS1956           HB1      LYS1956  -9.019  -3.192   8.562
  521    HG2  LYS1956           HG2      LYS1956  -7.850  -5.248   8.192
  522    HG3  LYS1956           HG1      LYS1956  -6.430  -4.624   9.029
  523    HD2  LYS1956           HD2      LYS1956  -7.824  -4.423  11.075
  524    HD3  LYS1956           HD1      LYS1956  -9.130  -5.232  10.198
  525    HE2  LYS1956           HE2      LYS1956  -7.835  -6.807  11.564
  526    HE3  LYS1956           HE1      LYS1956  -7.727  -7.174   9.843
  527    HZ1  LYS1956           HZ1      LYS1956  -5.686  -5.648  11.366
  528    HZ2  LYS1956           HZ2      LYS1956  -5.537  -6.203   9.762
  529    HZ3  LYS1956           HZ3      LYS1956  -5.564  -7.300  11.035
  530    H    LEU1957           HN       LEU1957  -5.834  -1.275   8.933
  531    HA   LEU1957           HA       LEU1957  -3.396  -1.477   7.614
  532    HB2  LEU1957           HB2      LEU1957  -3.943   0.380   9.054
  533    HB3  LEU1957           HB1      LEU1957  -4.084  -0.665  10.438
  534    HG   LEU1957           HG       LEU1957  -2.053   0.847  10.327
  535   HD11  LEU1957          HD11      LEU1957  -0.490  -0.817  11.185
  536   HD12  LEU1957          HD12      LEU1957  -1.577  -2.101  10.646
  537   HD13  LEU1957          HD13      LEU1957  -2.098  -0.966  11.893
  538   HD21  LEU1957          HD21      LEU1957  -1.487   0.572   7.984
  539   HD22  LEU1957          HD22      LEU1957  -1.157  -1.143   8.246
  540   HD23  LEU1957          HD23      LEU1957  -0.142   0.080   9.012
  541    H    SER1958           HN       SER1958  -2.272  -3.221   7.294
  542    HA   SER1958           HA       SER1958  -1.656  -4.908   9.560
  543    HB2  SER1958           HB2      SER1958  -0.916  -6.459   7.552
  544    HB3  SER1958           HB1      SER1958  -2.619  -6.375   8.008
  545    HG   SER1958           HG       SER1958  -1.690  -5.950   5.643
  546    H    LYS1959           HN       LYS1959   0.174  -4.247  10.366
  547    HA   LYS1959           HA       LYS1959   2.009  -2.533   8.830
  548    HB2  LYS1959           HB2      LYS1959   1.093  -2.102  11.187
  549    HB3  LYS1959           HB1      LYS1959   2.215  -3.321  11.759
  550    HG2  LYS1959           HG2      LYS1959   4.071  -1.933  11.165
  551    HG3  LYS1959           HG1      LYS1959   3.021  -0.810  10.298
  552    HD2  LYS1959           HD2      LYS1959   2.983  -1.316  13.299
  553    HD3  LYS1959           HD1      LYS1959   3.667   0.102  12.504
  554    HE2  LYS1959           HE2      LYS1959   1.359   0.619  11.596
  555    HE3  LYS1959           HE1      LYS1959   0.754  -0.729  12.549
  556    HZ1  LYS1959           HZ1      LYS1959   0.348   1.328  13.638
  557    HZ2  LYS1959           HZ2      LYS1959   1.951   1.752  13.676
  558    HZ3  LYS1959           HZ3      LYS1959   1.415   0.430  14.579
  559    H    THR1960           HN       THR1960   1.927  -5.101   7.983
  560    HA   THR1960           HA       THR1960   4.343  -6.456   8.956
  561    HB   THR1960           HB       THR1960   3.310  -8.448   7.823
  562    HG1  THR1960           HG1      THR1960   1.906  -6.860   6.593
  563   HG21  THR1960          HG21      THR1960   1.628  -7.120   9.964
  564   HG22  THR1960          HG22      THR1960   3.065  -8.111  10.247
  565   HG23  THR1960          HG23      THR1960   1.610  -8.837   9.561
  566    H    LEU1961           HN       LEU1961   6.046  -6.301   7.583
  567    HA   LEU1961           HA       LEU1961   5.503  -5.702   4.772
  568    HB2  LEU1961           HB2      LEU1961   6.547  -3.851   6.133
  569    HB3  LEU1961           HB1      LEU1961   7.910  -4.906   6.414
  570    HG   LEU1961           HG       LEU1961   8.395  -4.944   4.023
  571   HD11  LEU1961          HD11      LEU1961   6.132  -4.618   3.174
  572   HD12  LEU1961          HD12      LEU1961   7.225  -3.400   2.514
  573   HD13  LEU1961          HD13      LEU1961   6.115  -2.974   3.816
  574   HD21  LEU1961          HD21      LEU1961   9.469  -3.276   5.439
  575   HD22  LEU1961          HD22      LEU1961   8.116  -2.173   5.181
  576   HD23  LEU1961          HD23      LEU1961   9.158  -2.622   3.832
  577    H    THR1962           HN       THR1962   6.539  -7.030   3.287
  578    HA   THR1962           HA       THR1962   8.500  -8.890   4.269
  579    HB   THR1962           HB       THR1962   6.592 -10.097   4.892
  580    HG1  THR1962           HG1      THR1962   6.418 -11.759   3.068
  581   HG21  THR1962          HG21      THR1962   5.319  -9.412   2.239
  582   HG22  THR1962          HG22      THR1962   4.904  -8.789   3.845
  583   HG23  THR1962          HG23      THR1962   4.617 -10.489   3.463
  584    H    TYR1963           HN       TYR1963   9.576 -10.010   2.504
  585    HA   TYR1963           HA       TYR1963   9.040  -8.732  -0.056
  586    HB2  TYR1963           HB2      TYR1963  11.469  -8.985  -0.605
  587    HB3  TYR1963           HB1      TYR1963  11.164  -7.866   0.711
  588    HD1  TYR1963           HD1      TYR1963  12.562 -11.119  -0.219
  589    HD2  TYR1963           HD2      TYR1963  11.959  -8.372   2.966
  590    HE1  TYR1963           HE1      TYR1963  14.170 -12.361   1.148
  591    HE2  TYR1963           HE2      TYR1963  13.579  -9.608   4.344
  592    HH   TYR1963           HH       TYR1963  14.492 -11.868   4.474
  593    H    GLU1964           HN       GLU1964   8.900  -9.981  -1.792
  594    HA   GLU1964           HA       GLU1964   9.264 -12.846  -1.361
  595    HB2  GLU1964           HB2      GLU1964   6.833 -12.207  -1.251
  596    HB3  GLU1964           HB1      GLU1964   6.970 -11.575  -2.883
  597    HG2  GLU1964           HG2      GLU1964   7.537 -13.815  -3.698
  598    HG3  GLU1964           HG1      GLU1964   7.392 -14.439  -2.059
  599    H    ASP1965           HN       ASP1965  11.046 -13.047  -2.439
  600    HA   ASP1965           HA       ASP1965  12.648 -12.972  -4.022
  601    HB2  ASP1965           HB2      ASP1965  11.297 -14.722  -4.950
  602    HB3  ASP1965           HB1      ASP1965  10.246 -13.557  -5.741
  603    H    GLN1966           HN       GLN1966  13.360 -10.932  -3.814
  604    HA   GLN1966           HA       GLN1966  14.207  -8.990  -4.572
  605    HB2  GLN1966           HB2      GLN1966  13.004  -9.789  -7.210
  606    HB3  GLN1966           HB1      GLN1966  14.237  -8.558  -6.968
  607    HG2  GLN1966           HG2      GLN1966  15.825 -10.184  -6.264
  608    HG3  GLN1966           HG1      GLN1966  14.594 -11.444  -6.213
  609   HE21  GLN1966          HE21      GLN1966  15.619 -12.736  -7.627
  610   HE22  GLN1966          HE22      GLN1966  15.784 -12.391  -9.313
  611    H    VAL1967           HN       VAL1967  10.827  -9.395  -4.717
  612    HA   VAL1967           HA       VAL1967  10.469  -6.506  -5.121
  613    HB   VAL1967           HB       VAL1967   8.335  -8.660  -5.381
  614   HG11  VAL1967          HG11      VAL1967   7.006  -6.938  -6.481
  615   HG12  VAL1967          HG12      VAL1967   8.282  -5.760  -6.168
  616   HG13  VAL1967          HG13      VAL1967   7.417  -6.501  -4.821
  617   HG21  VAL1967          HG21      VAL1967   9.855  -7.261  -7.583
  618   HG22  VAL1967          HG22      VAL1967   8.486  -8.351  -7.812
  619   HG23  VAL1967          HG23      VAL1967   9.997  -8.962  -7.140
  620    H    LEU1968           HN       LEU1968   9.547  -5.336  -3.504
  621    HA   LEU1968           HA       LEU1968   9.226  -6.668  -0.953
  622    HB2  LEU1968           HB2      LEU1968  10.446  -4.508  -1.152
  623    HB3  LEU1968           HB1      LEU1968   8.981  -3.756  -1.748
  624    HG   LEU1968           HG       LEU1968   7.907  -4.132   0.428
  625   HD11  LEU1968          HD11      LEU1968   9.266  -4.865   2.331
  626   HD12  LEU1968          HD12      LEU1968  10.614  -5.166   1.239
  627   HD13  LEU1968          HD13      LEU1968   9.143  -6.132   1.107
  628   HD21  LEU1968          HD21      LEU1968  10.572  -2.727   0.575
  629   HD22  LEU1968          HD22      LEU1968   9.221  -2.494   1.685
  630   HD23  LEU1968          HD23      LEU1968   9.057  -2.035  -0.007
  631    H    LYS1969           HN       LYS1969   7.209  -6.903   0.054
  632    HA   LYS1969           HA       LYS1969   4.902  -5.952  -1.440
  633    HB2  LYS1969           HB2      LYS1969   5.463  -8.839  -0.808
  634    HB3  LYS1969           HB1      LYS1969   3.851  -8.244  -1.164
  635    HG2  LYS1969           HG2      LYS1969   4.530  -7.559  -3.376
  636    HG3  LYS1969           HG1      LYS1969   6.206  -7.979  -3.021
  637    HD2  LYS1969           HD2      LYS1969   5.604 -10.313  -2.808
  638    HD3  LYS1969           HD1      LYS1969   3.901  -9.919  -3.061
  639    HE2  LYS1969           HE2      LYS1969   6.082  -9.356  -5.062
  640    HE3  LYS1969           HE1      LYS1969   5.086 -10.808  -5.077
  641    HZ1  LYS1969           HZ1      LYS1969   4.033  -8.013  -5.382
  642    HZ2  LYS1969           HZ2      LYS1969   3.135  -9.424  -5.335
  643    HZ3  LYS1969           HZ3      LYS1969   4.202  -9.167  -6.602
  644    H    LEU1970           HN       LEU1970   2.988  -5.923  -0.338
  645    HA   LEU1970           HA       LEU1970   2.883  -6.651   2.449
  646    HB2  LEU1970           HB2      LEU1970   3.797  -4.235   2.074
  647    HB3  LEU1970           HB1      LEU1970   2.168  -3.853   1.568
  648    HG   LEU1970           HG       LEU1970   2.998  -4.818   4.310
  649   HD11  LEU1970          HD11      LEU1970   2.516  -2.543   5.008
  650   HD12  LEU1970          HD12      LEU1970   2.205  -2.102   3.328
  651   HD13  LEU1970          HD13      LEU1970   3.818  -2.615   3.822
  652   HD21  LEU1970          HD21      LEU1970   0.747  -4.194   5.023
  653   HD22  LEU1970          HD22      LEU1970   0.681  -5.449   3.783
  654   HD23  LEU1970          HD23      LEU1970   0.328  -3.775   3.361
  655    H    VAL1971           HN       VAL1971   0.760  -7.230   2.879
  656    HA   VAL1971           HA       VAL1971  -1.171  -6.607   0.795
  657    HB   VAL1971           HB       VAL1971  -2.308  -8.780   1.228
  658   HG11  VAL1971          HG11      VAL1971   0.552  -9.023   0.322
  659   HG12  VAL1971          HG12      VAL1971  -0.838  -8.584  -0.673
  660   HG13  VAL1971          HG13      VAL1971  -0.724 -10.204   0.014
  661   HG21  VAL1971          HG21      VAL1971  -1.098 -10.593   2.394
  662   HG22  VAL1971          HG22      VAL1971  -1.488  -9.257   3.475
  663   HG23  VAL1971          HG23      VAL1971   0.156  -9.438   2.861
  664    H    TYR1972           HN       TYR1972  -2.885  -5.619   1.433
  665    HA   TYR1972           HA       TYR1972  -3.489  -5.531   4.311
  666    HB2  TYR1972           HB2      TYR1972  -4.260  -3.666   2.071
  667    HB3  TYR1972           HB1      TYR1972  -4.955  -3.586   3.678
  668    HD1  TYR1972           HD2      TYR1972  -3.500  -2.944   5.596
  669    HD2  TYR1972           HD1      TYR1972  -2.150  -2.772   1.586
  670    HE1  TYR1972           HE2      TYR1972  -1.624  -1.528   6.293
  671    HE2  TYR1972           HE1      TYR1972  -0.271  -1.364   2.269
  672    HH   TYR1972           HH       TYR1972   0.459  -0.884   5.582
  673    H    GLU1973           HN       GLU1973  -5.309  -6.467   5.000
  674    HA   GLU1973           HA       GLU1973  -7.491  -6.757   3.159
  675    HB2  GLU1973           HB2      GLU1973  -7.814  -9.143   3.607
  676    HB3  GLU1973           HB1      GLU1973  -6.279  -8.847   2.813
  677    HG2  GLU1973           HG2      GLU1973  -5.117  -9.142   4.918
  678    HG3  GLU1973           HG1      GLU1973  -6.651  -9.368   5.755
  679    H    ASP1974           HN       ASP1974  -9.357  -7.745   4.312
  680    HA   ASP1974           HA       ASP1974 -10.863  -7.941   5.933
  681    HB2  ASP1974           HB2      ASP1974  -9.053  -8.727   7.488
  682    HB3  ASP1974           HB1      ASP1974  -8.833  -7.052   7.991
  683    H    GLY1975           HN       GLY1975 -12.301  -6.537   5.454
  684    HA2  GLY1975           HA2      GLY1975 -12.194  -3.967   6.765
  685    HA3  GLY1975           HA1      GLY1975 -12.251  -3.944   5.006
  686    H    ASP1976           HN       ASP1976 -14.139  -3.960   4.095
  687    HA   ASP1976           HA       ASP1976 -16.488  -4.582   5.736
  688    HB2  ASP1976           HB2      ASP1976 -16.416  -2.341   4.691
  689    HB3  ASP1976           HB1      ASP1976 -16.271  -3.093   3.105
  690    HA   PRO1977           HA       PRO1977 -16.688  -8.340   3.336
  691    HB2  PRO1977           HB2      PRO1977 -19.152  -9.138   4.303
  692    HB3  PRO1977           HB1      PRO1977 -17.611  -9.476   5.099
  693    HG2  PRO1977           HG2      PRO1977 -19.645  -7.386   5.702
  694    HG3  PRO1977           HG1      PRO1977 -18.603  -8.300   6.806
  695    HD2  PRO1977           HD2      PRO1977 -18.132  -5.714   6.092
  696    HD3  PRO1977           HD1      PRO1977 -16.848  -6.852   6.543
  697    H    CYS1978           HN       CYS1978 -16.998  -7.834   1.299
  698    HA   CYS1978           HA       CYS1978 -19.198  -6.394   0.222
  699    HB2  CYS1978           HB2      CYS1978 -17.164  -8.191  -1.136
  700    HB3  CYS1978           HB1      CYS1978 -18.201  -7.018  -1.944
  701    HA   PRO1979           HA       PRO1979 -22.292  -9.594  -0.402
  702    HB2  PRO1979           HB2      PRO1979 -22.194  -9.015  -3.329
  703    HB3  PRO1979           HB1      PRO1979 -23.588  -9.064  -2.238
  704    HG2  PRO1979           HG2      PRO1979 -22.665  -6.724  -3.026
  705    HG3  PRO1979           HG1      PRO1979 -23.107  -6.989  -1.321
  706    HD2  PRO1979           HD2      PRO1979 -20.380  -6.938  -2.575
  707    HD3  PRO1979           HD1      PRO1979 -20.935  -6.193  -1.059
  708    H    THR1980           HN       THR1980 -19.503  -9.650  -2.699
  709    HA   THR1980           HA       THR1980 -19.831 -12.327  -3.417
  710    HB   THR1980           HB       THR1980 -17.563 -11.524  -4.348
  711    HG1  THR1980           HG1      THR1980 -17.118  -9.690  -3.397
  712   HG21  THR1980          HG21      THR1980 -20.177 -10.262  -5.216
  713   HG22  THR1980          HG22      THR1980 -19.613 -11.864  -5.699
  714   HG23  THR1980          HG23      THR1980 -18.740 -10.424  -6.226
  715    H    ASP1981           HN       ASP1981 -18.511 -10.532  -0.810
  716    HA   ASP1981           HA       ASP1981 -16.455 -12.537  -0.269
  717    HB2  ASP1981           HB2      ASP1981 -16.151  -9.540  -0.027
  718    HB3  ASP1981           HB1      ASP1981 -14.958 -10.727   0.495
  719    H    LEU1982           HN       LEU1982 -18.320 -13.213   0.947
  720    HA   LEU1982           HA       LEU1982 -18.858 -11.793   3.459
  721    HB2  LEU1982           HB2      LEU1982 -19.977 -14.355   2.345
  722    HB3  LEU1982           HB1      LEU1982 -20.576 -13.458   3.722
  723    HG   LEU1982           HG       LEU1982 -20.550 -12.310   0.952
  724   HD11  LEU1982          HD11      LEU1982 -22.858 -13.034   0.775
  725   HD12  LEU1982          HD12      LEU1982 -22.732 -13.835   2.352
  726   HD13  LEU1982          HD13      LEU1982 -21.767 -14.416   0.992
  727   HD21  LEU1982          HD21      LEU1982 -22.114 -11.706   3.452
  728   HD22  LEU1982          HD22      LEU1982 -22.280 -10.869   1.902
  729   HD23  LEU1982          HD23      LEU1982 -20.770 -10.758   2.815
  730    H    LYS1983           HN       LYS1983 -17.846 -14.855   2.125
  731    HA   LYS1983           HA       LYS1983 -16.918 -15.858   4.730
  732    HB2  LYS1983           HB2      LYS1983 -17.754 -17.146   2.157
  733    HB3  LYS1983           HB1      LYS1983 -17.046 -18.069   3.493
  734    HG2  LYS1983           HG2      LYS1983 -18.989 -17.348   4.861
  735    HG3  LYS1983           HG1      LYS1983 -19.645 -16.538   3.431
  736    HD2  LYS1983           HD2      LYS1983 -19.715 -18.652   2.236
  737    HD3  LYS1983           HD1      LYS1983 -18.985 -19.476   3.611
  738    HE2  LYS1983           HE2      LYS1983 -21.341 -19.902   3.621
  739    HE3  LYS1983           HE1      LYS1983 -20.954 -18.842   4.971
  740    HZ1  LYS1983           HZ1      LYS1983 -21.790 -16.947   3.628
  741    HZ2  LYS1983           HZ2      LYS1983 -22.925 -18.143   3.904
  742    HZ3  LYS1983           HZ3      LYS1983 -22.206 -18.053   2.391
  743    H    MET1984           HN       MET1984 -15.517 -14.032   2.661
  744    HA   MET1984           HA       MET1984 -13.004 -15.262   2.579
  745    HB2  MET1984           HB2      MET1984 -12.842 -15.157   0.077
  746    HB3  MET1984           HB1      MET1984 -13.958 -16.396   0.633
  747    HG2  MET1984           HG2      MET1984 -15.835 -14.782   0.193
  748    HG3  MET1984           HG1      MET1984 -14.651 -13.704  -0.538
  749    HE1  MET1984           HE1      MET1984 -12.727 -15.613  -2.107
  750    HE2  MET1984           HE2      MET1984 -13.456 -14.188  -2.867
  751    HE3  MET1984           HE3      MET1984 -13.517 -15.746  -3.679
  752    H    LYS1985           HN       LYS1985 -11.614 -13.655   2.486
  753    HA   LYS1985           HA       LYS1985 -12.531 -11.001   1.633
  754    HB2  LYS1985           HB2      LYS1985 -11.461  -9.881   3.485
  755    HB3  LYS1985           HB1      LYS1985 -12.474 -11.135   4.160
  756    HG2  LYS1985           HG2      LYS1985 -10.333 -12.530   4.331
  757    HG3  LYS1985           HG1      LYS1985  -9.471 -11.026   4.000
  758    HD2  LYS1985           HD2      LYS1985 -10.842 -10.019   5.912
  759    HD3  LYS1985           HD1      LYS1985 -11.272 -11.672   6.327
  760    HE2  LYS1985           HE2      LYS1985  -8.548 -10.378   6.373
  761    HE3  LYS1985           HE1      LYS1985  -9.450 -11.047   7.722
  762    HZ1  LYS1985           HZ1      LYS1985  -8.047 -12.425   5.553
  763    HZ2  LYS1985           HZ2      LYS1985  -9.178 -13.262   6.492
  764    HZ3  LYS1985           HZ3      LYS1985  -7.781 -12.597   7.213
  765    H    HIS1986           HN       HIS1986 -10.814  -9.680   0.691
  766    HA   HIS1986           HA       HIS1986  -8.688 -11.487  -0.208
  767    HB2  HIS1986           HB2      HIS1986 -10.115  -9.382  -1.765
  768    HB3  HIS1986           HB1      HIS1986  -8.553 -10.021  -2.261
  769    HD1  HIS1986           HD1      HIS1986  -8.720 -11.867  -3.837
  770    HD2  HIS1986           HD2      HIS1986 -12.021 -11.633  -1.364
  771    HE1  HIS1986           HE1      HIS1986 -10.311 -13.590  -4.681
  772    HE2  HIS1986           HE2      HIS1986 -12.412 -12.874  -3.501
  773    H    LYS1987           HN       LYS1987  -6.799 -10.502  -1.066
  774    HA   LYS1987           HA       LYS1987  -5.819  -8.601   0.874
  775    HB2  LYS1987           HB2      LYS1987  -4.425 -10.346  -1.152
  776    HB3  LYS1987           HB1      LYS1987  -3.608  -9.160  -0.161
  777    HG2  LYS1987           HG2      LYS1987  -3.211 -11.267   0.798
  778    HG3  LYS1987           HG1      LYS1987  -4.362 -10.451   1.841
  779    HD2  LYS1987           HD2      LYS1987  -6.172 -11.805   0.963
  780    HD3  LYS1987           HD1      LYS1987  -5.082 -12.541  -0.226
  781    HE2  LYS1987           HE2      LYS1987  -3.723 -13.455   1.552
  782    HE3  LYS1987           HE1      LYS1987  -4.731 -12.673   2.755
  783    HZ1  LYS1987           HZ1      LYS1987  -6.566 -14.131   2.088
  784    HZ2  LYS1987           HZ2      LYS1987  -5.204 -14.939   2.615
  785    HZ3  LYS1987           HZ3      LYS1987  -5.533 -14.919   0.969
  786    H    SER1988           HN       SER1988  -5.288  -6.629   0.316
  787    HA   SER1988           HA       SER1988  -5.384  -5.848  -2.467
  788    HB2  SER1988           HB2      SER1988  -4.948  -4.254   0.080
  789    HB3  SER1988           HB1      SER1988  -5.187  -3.576  -1.552
  790    HG   SER1988           HG       SER1988  -7.007  -4.993   0.078
  791    H    TYR1989           HN       TYR1989  -3.597  -6.093  -3.558
  792    HA   TYR1989           HA       TYR1989  -1.154  -6.863  -2.205
  793    HB2  TYR1989           HB2      TYR1989  -1.833  -6.835  -5.144
  794    HB3  TYR1989           HB1      TYR1989  -0.404  -7.547  -4.416
  795    HD1  TYR1989           HD1      TYR1989  -4.008  -7.909  -4.946
  796    HD2  TYR1989           HD2      TYR1989  -0.532  -9.649  -3.236
  797    HE1  TYR1989           HE1      TYR1989  -5.207 -10.036  -4.679
  798    HE2  TYR1989           HE2      TYR1989  -1.716 -11.773  -2.965
  799    HH   TYR1989           HH       TYR1989  -4.830 -12.319  -4.385
  800    H    PHE1990           HN       PHE1990   0.215  -5.312  -1.685
  801    HA   PHE1990           HA       PHE1990   0.660  -3.140  -3.569
  802    HB2  PHE1990           HB2      PHE1990   1.234  -3.423  -0.617
  803    HB3  PHE1990           HB1      PHE1990   1.930  -2.142  -1.599
  804    HD1  PHE1990           HD1      PHE1990  -1.309  -3.638  -0.627
  805    HD2  PHE1990           HD2      PHE1990   0.771  -0.138  -1.828
  806    HE1  PHE1990           HE1      PHE1990  -3.327  -2.307  -0.225
  807    HE2  PHE1990           HE2      PHE1990  -1.247   1.202  -1.428
  808    HZ   PHE1990           HZ       PHE1990  -3.258   0.191  -0.659
  809    H    SER1991           HN       SER1991   2.157  -3.787  -4.952
  810    HA   SER1991           HA       SER1991   4.471  -5.239  -3.943
  811    HB2  SER1991           HB2      SER1991   3.642  -4.606  -6.790
  812    HB3  SER1991           HB1      SER1991   4.989  -5.639  -6.306
  813    HG   SER1991           HG       SER1991   2.288  -6.121  -6.338
  814    H    PHE1992           HN       PHE1992   6.113  -4.062  -3.329
  815    HA   PHE1992           HA       PHE1992   6.387  -1.329  -4.285
  816    HB2  PHE1992           HB2      PHE1992   7.759  -2.750  -1.991
  817    HB3  PHE1992           HB1      PHE1992   7.902  -1.040  -2.379
  818    HD1  PHE1992           HD2      PHE1992   5.904   0.434  -2.145
  819    HD2  PHE1992           HD1      PHE1992   5.968  -3.567  -0.721
  820    HE1  PHE1992           HE2      PHE1992   3.984   0.922  -0.701
  821    HE2  PHE1992           HE1      PHE1992   4.046  -3.085   0.725
  822    HZ   PHE1992           HZ       PHE1992   3.031  -0.852   0.717
  823    H    VAL1993           HN       VAL1993   7.759  -0.939  -5.787
  824    HA   VAL1993           HA       VAL1993  10.139  -2.556  -6.123
  825    HB   VAL1993           HB       VAL1993   8.765  -3.712  -7.643
  826   HG11  VAL1993          HG11      VAL1993   7.527  -1.085  -8.419
  827   HG12  VAL1993          HG12      VAL1993   6.796  -2.370  -7.446
  828   HG13  VAL1993          HG13      VAL1993   7.147  -2.649  -9.152
  829   HG21  VAL1993          HG21      VAL1993   9.875  -1.455  -9.296
  830   HG22  VAL1993          HG22      VAL1993   9.367  -3.029  -9.913
  831   HG23  VAL1993          HG23      VAL1993  10.753  -2.912  -8.821
  832    H    CYS1994           HN       CYS1994  11.894  -1.390  -6.811
  833    HA   CYS1994           HA       CYS1994  11.943   1.358  -6.562
  834    HB2  CYS1994           HB2      CYS1994  13.876  -0.460  -7.983
  835    HB3  CYS1994           HB1      CYS1994  14.218   1.201  -7.523
  836    H    LYS1995           HN       LYS1995  12.293   3.018  -8.078
  837    HA   LYS1995           HA       LYS1995  11.819   2.412 -10.881
  838    HB2  LYS1995           HB2      LYS1995   9.674   3.262  -9.962
  839    HB3  LYS1995           HB1      LYS1995  10.514   4.659  -9.303
  840    HG2  LYS1995           HG2      LYS1995  11.062   5.419 -11.550
  841    HG3  LYS1995           HG1      LYS1995  10.287   3.994 -12.235
  842    HD2  LYS1995           HD2      LYS1995   8.143   4.739 -11.271
  843    HD3  LYS1995           HD1      LYS1995   8.946   6.185 -10.652
  844    HE2  LYS1995           HE2      LYS1995   9.558   6.815 -12.952
  845    HE3  LYS1995           HE1      LYS1995   8.721   5.387 -13.553
  846    HZ1  LYS1995           HZ1      LYS1995   6.637   6.290 -12.739
  847    HZ2  LYS1995           HZ2      LYS1995   7.401   7.456 -13.704
  848    HZ3  LYS1995           HZ3      LYS1995   7.444   7.590 -12.037
  849    H    SER1996           HN       SER1996  13.202   3.573 -12.144
  850    HA   SER1996           HA       SER1996  15.128   5.171 -10.695
  851    HB2  SER1996           HB2      SER1996  15.155   4.295 -13.590
  852    HB3  SER1996           HB1      SER1996  16.469   5.134 -12.759
  853    HG   SER1996           HG       SER1996  15.894   3.107 -11.215
  854    H    ASP1997           HN       ASP1997  13.365   6.466 -10.293
  855    HA   ASP1997           HA       ASP1997  13.596   9.011 -11.345
  856    HB2  ASP1997           HB2      ASP1997  12.237   8.204 -13.266
  857    HB3  ASP1997           HB1      ASP1997  11.011   7.608 -12.157
  858    H    ALA1998           HN       ALA1998  10.497   7.648 -10.486
  859    HA   ALA1998           HA       ALA1998   9.219   7.571  -8.698
  860    HB1  ALA1998           HB1      ALA1998  11.737   7.698  -7.059
  861    HB2  ALA1998           HB2      ALA1998  11.058   6.247  -7.798
  862    HB3  ALA1998           HB3      ALA1998  10.153   7.094  -6.535
  863    H    GLY1999           HN       GLY1999  10.930  10.246  -9.435
  864    HA2  GLY1999           HA2      GLY1999  10.764  12.459  -8.990
  865    HA3  GLY1999           HA1      GLY1999   9.134  12.061  -8.451
  866    H    ASP2000           HN       ASP2000   8.712  12.514  -6.529
  867    HA   ASP2000           HA       ASP2000  10.709  12.284  -4.366
  868    HB2  ASP2000           HB2      ASP2000  10.414  14.693  -4.788
  869    HB3  ASP2000           HB1      ASP2000   8.665  14.507  -4.684
  870    H    ASP2001           HN       ASP2001   7.387  12.635  -5.347
  871    HA   ASP2001           HA       ASP2001   6.412  11.240  -3.012
  872    HB2  ASP2001           HB2      ASP2001   5.455  13.478  -3.871
  873    HB3  ASP2001           HB1      ASP2001   4.861  12.530  -5.238
  874    H    SER2002           HN       SER2002   7.308   9.423  -3.726
  875    HA   SER2002           HA       SER2002   7.222   8.098  -6.125
  876    HB2  SER2002           HB2      SER2002   6.946   6.843  -3.405
  877    HB3  SER2002           HB1      SER2002   7.562   6.065  -4.869
  878    HG   SER2002           HG       SER2002   8.850   8.315  -4.581
  879    H    GLN2003           HN       GLN2003   5.656   7.522  -7.369
  880    HA   GLN2003           HA       GLN2003   2.960   7.700  -6.531
  881    HB2  GLN2003           HB2      GLN2003   2.416   7.197  -8.872
  882    HB3  GLN2003           HB1      GLN2003   3.528   8.542  -8.678
  883    HG2  GLN2003           HG2      GLN2003   5.384   7.167  -9.362
  884    HG3  GLN2003           HG1      GLN2003   4.357   5.737  -9.395
  885   HE21  GLN2003          HE21      GLN2003   2.101   7.055 -10.599
  886   HE22  GLN2003          HE22      GLN2003   2.538   7.414 -12.231
  887    HA   PRO2004           HA       PRO2004   2.222   3.342  -6.022
  888    HB2  PRO2004           HB2      PRO2004  -0.351   3.654  -5.145
  889    HB3  PRO2004           HB1      PRO2004   1.047   3.814  -4.078
  890    HG2  PRO2004           HG2      PRO2004  -0.708   5.893  -5.214
  891    HG3  PRO2004           HG1      PRO2004   0.248   5.924  -3.723
  892    HD2  PRO2004           HD2      PRO2004   0.885   7.154  -6.181
  893    HD3  PRO2004           HD1      PRO2004   1.964   6.952  -4.789
  894    H    VAL2005           HN       VAL2005   2.012   2.508  -8.046
  895    HA   VAL2005           HA       VAL2005   0.100   3.624  -9.878
  896    HB   VAL2005           HB       VAL2005   1.986   1.261 -10.182
  897   HG11  VAL2005          HG11      VAL2005   0.408   2.756 -12.266
  898   HG12  VAL2005          HG12      VAL2005   0.109   1.109 -11.706
  899   HG13  VAL2005          HG13      VAL2005   1.593   1.489 -12.583
  900   HG21  VAL2005          HG21      VAL2005   3.376   2.783 -11.522
  901   HG22  VAL2005          HG22      VAL2005   3.217   3.330  -9.854
  902   HG23  VAL2005          HG23      VAL2005   2.282   4.110 -11.131
  903    H    PHE2006           HN       PHE2006  -1.901   2.983  -9.808
  904    HA   PHE2006           HA       PHE2006  -2.536   0.486  -8.483
  905    HB2  PHE2006           HB2      PHE2006  -4.850   1.211  -8.499
  906    HB3  PHE2006           HB1      PHE2006  -3.857   2.533  -7.913
  907    HD1  PHE2006           HD2      PHE2006  -3.328   4.432  -9.556
  908    HD2  PHE2006           HD1      PHE2006  -6.304   1.477 -10.302
  909    HE1  PHE2006           HE2      PHE2006  -4.359   5.893 -11.246
  910    HE2  PHE2006           HE1      PHE2006  -7.335   2.931 -11.991
  911    HZ   PHE2006           HZ       PHE2006  -6.364   5.141 -12.467
  912    H    LEU2007           HN       LEU2007  -3.200  -1.270  -9.535
  913    HA   LEU2007           HA       LEU2007  -3.192  -1.195 -12.410
  914    HB2  LEU2007           HB2      LEU2007  -3.809  -3.425 -10.442
  915    HB3  LEU2007           HB1      LEU2007  -3.952  -3.631 -12.171
  916    HG   LEU2007           HG       LEU2007  -1.494  -3.173 -12.376
  917   HD11  LEU2007          HD11      LEU2007  -1.485  -3.366  -9.369
  918   HD12  LEU2007          HD12      LEU2007  -1.112  -1.931 -10.319
  919   HD13  LEU2007          HD13      LEU2007  -0.065  -3.348 -10.412
  920   HD21  LEU2007          HD21      LEU2007  -0.787  -5.359 -11.557
  921   HD22  LEU2007          HD22      LEU2007  -2.353  -5.441 -12.375
  922   HD23  LEU2007          HD23      LEU2007  -2.270  -5.479 -10.612
  923    H    SER2008           HN       SER2008  -5.476  -1.867  -9.808
  924    HA   SER2008           HA       SER2008  -7.417  -0.090 -10.365
  925    HB2  SER2008           HB2      SER2008  -7.765  -1.350 -12.555
  926    HB3  SER2008           HB1      SER2008  -8.151  -2.782 -11.608
  927    HG   SER2008           HG       SER2008  -9.930  -1.614 -10.716
  928    H    PHE2009           HN       PHE2009  -9.347  -0.571  -8.993
  929    HA   PHE2009           HA       PHE2009  -8.828  -2.682  -7.096
  930    HB2  PHE2009           HB2      PHE2009  -9.486  -0.586  -6.086
  931    HB3  PHE2009           HB1      PHE2009 -10.819  -0.392  -7.218
  932    HD1  PHE2009           HD1      PHE2009  -9.596  -2.729  -4.585
  933    HD2  PHE2009           HD2      PHE2009 -12.939  -0.973  -6.537
  934    HE1  PHE2009           HE1      PHE2009 -11.089  -3.817  -2.984
  935    HE2  PHE2009           HE2      PHE2009 -14.451  -2.058  -4.941
  936    HZ   PHE2009           HZ       PHE2009 -13.533  -3.490  -3.155
  937    H    ASP2010           HN       ASP2010  -9.868  -4.553  -7.326
  938    HA   ASP2010           HA       ASP2010 -11.960  -4.611  -9.317
  939    HB2  ASP2010           HB2      ASP2010 -10.183  -6.793  -8.260
  940    HB3  ASP2010           HB1      ASP2010 -11.693  -7.164  -9.088
  941    H    GLU2011           HN       GLU2011 -13.814  -4.477  -8.725
  942    HA   GLU2011           HA       GLU2011 -14.585  -4.821  -5.969
  943    HB2  GLU2011           HB2      GLU2011 -16.726  -3.905  -6.755
  944    HB3  GLU2011           HB1      GLU2011 -15.362  -2.892  -7.204
  945    HG2  GLU2011           HG2      GLU2011 -15.418  -3.967  -9.455
  946    HG3  GLU2011           HG1      GLU2011 -16.915  -4.760  -8.971
  947    H    GLN2012           HN       GLN2012 -14.439  -6.604  -8.768
  948    HA   GLN2012           HA       GLN2012 -16.429  -8.391  -8.984
  949    HB2  GLN2012           HB2      GLN2012 -14.394  -8.283 -10.344
  950    HB3  GLN2012           HB1      GLN2012 -13.458  -8.913  -9.006
  951    HG2  GLN2012           HG2      GLN2012 -14.645 -11.014  -9.152
  952    HG3  GLN2012           HG1      GLN2012 -15.637 -10.371 -10.464
  953   HE21  GLN2012          HE21      GLN2012 -14.964 -11.843 -11.908
  954   HE22  GLN2012          HE22      GLN2012 -13.373 -11.910 -12.586
  955    H    THR2013           HN       THR2013 -13.559  -8.991  -6.920
  956    HA   THR2013           HA       THR2013 -15.298  -9.924  -4.860
  957    HB   THR2013           HB       THR2013 -14.838 -12.010  -5.983
  958    HG1  THR2013           HG1      THR2013 -14.179 -11.677  -3.493
  959   HG21  THR2013          HG21      THR2013 -12.570 -12.879  -6.415
  960   HG22  THR2013          HG22      THR2013 -11.896 -11.337  -5.883
  961   HG23  THR2013          HG23      THR2013 -12.908 -11.406  -7.326
  962    H    CYS2014           HN       CYS2014 -14.411  -7.634  -4.896
  963    HA   CYS2014           HA       CYS2014 -13.027  -6.033  -4.141
  964    HB2  CYS2014           HB2      CYS2014 -13.887  -7.546  -1.688
  965    HB3  CYS2014           HB1      CYS2014 -13.201  -5.921  -1.639
  966    H    THR2015           HN       THR2015 -11.149  -6.685  -5.243
  967    HA   THR2015           HA       THR2015  -8.880  -7.251  -3.402
  968    HB   THR2015           HB       THR2015  -9.068  -8.081  -6.306
  969    HG1  THR2015           HG1      THR2015 -10.480  -9.091  -4.357
  970   HG21  THR2015          HG21      THR2015  -7.305  -8.980  -4.026
  971   HG22  THR2015          HG22      THR2015  -6.819  -7.919  -5.348
  972   HG23  THR2015          HG23      THR2015  -7.248  -9.598  -5.676
  973    H    SER2016           HN       SER2016  -7.284  -5.745  -3.552
  974    HA   SER2016           HA       SER2016  -7.542  -3.743  -5.684
  975    HB2  SER2016           HB2      SER2016  -6.031  -3.463  -3.091
  976    HB3  SER2016           HB1      SER2016  -6.590  -2.190  -4.173
  977    HG   SER2016           HG       SER2016  -7.866  -3.464  -2.149
  978    H    TYR2017           HN       TYR2017  -5.804  -3.534  -7.098
  979    HA   TYR2017           HA       TYR2017  -3.358  -5.020  -6.402
  980    HB2  TYR2017           HB2      TYR2017  -4.649  -4.556  -9.083
  981    HB3  TYR2017           HB1      TYR2017  -2.974  -5.055  -8.927
  982    HD1  TYR2017           HD1      TYR2017  -6.466  -6.033  -8.416
  983    HD2  TYR2017           HD2      TYR2017  -2.420  -7.346  -8.346
  984    HE1  TYR2017           HE1      TYR2017  -7.233  -8.360  -8.284
  985    HE2  TYR2017           HE2      TYR2017  -3.181  -9.684  -8.217
  986    HH   TYR2017           HH       TYR2017  -6.523 -10.534  -8.671
  987    H    PHE2018           HN       PHE2018  -1.586  -3.814  -6.025
  988    HA   PHE2018           HA       PHE2018  -1.346  -1.242  -7.401
  989    HB2  PHE2018           HB2      PHE2018  -0.735  -1.763  -4.491
  990    HB3  PHE2018           HB1      PHE2018  -0.400  -0.273  -5.360
  991    HD1  PHE2018           HD2      PHE2018  -2.296   1.084  -6.210
  992    HD2  PHE2018           HD1      PHE2018  -2.830  -2.227  -3.614
  993    HE1  PHE2018           HE2      PHE2018  -4.543   1.886  -5.643
  994    HE2  PHE2018           HE1      PHE2018  -5.069  -1.428  -3.045
  995    HZ   PHE2018           HZ       PHE2018  -5.927   0.628  -4.057
  996    H    SER2019           HN       SER2019   0.638  -0.618  -7.908
  997    HA   SER2019           HA       SER2019   2.932  -2.281  -7.239
  998    HB2  SER2019           HB2      SER2019   2.157  -2.786  -9.541
  999    HB3  SER2019           HB1      SER2019   2.193  -1.076  -9.938
 1000    HG   SER2019           HG       SER2019   4.004  -1.924 -10.693
 1001    H    TRP2020           HN       TRP2020   4.081  -0.912  -5.980
 1002    HA   TRP2020           HA       TRP2020   3.690   1.967  -6.381
 1003    HB2  TRP2020           HB2      TRP2020   3.306   0.715  -4.144
 1004    HB3  TRP2020           HB1      TRP2020   5.072   0.740  -4.009
 1005    HD1  TRP2020           HD1      TRP2020   5.581   3.763  -4.928
 1006    HE1  TRP2020           HE1      TRP2020   4.674   5.708  -3.450
 1007    HE3  TRP2020           HE3      TRP2020   2.056   1.220  -2.277
 1008    HZ2  TRP2020           HZ2      TRP2020   2.796   6.060  -1.441
 1009    HZ3  TRP2020           HZ3      TRP2020   0.756   2.426  -0.591
 1010    HH2  TRP2020           HH2      TRP2020   1.123   4.797  -0.180
 1011    H    HIS2021           HN       HIS2021   5.184   2.858  -7.549
 1012    HA   HIS2021           HA       HIS2021   7.788   1.609  -7.769
 1013    HB2  HIS2021           HB2      HIS2021   6.502   3.837  -9.371
 1014    HB3  HIS2021           HB1      HIS2021   8.155   3.284  -9.623
 1015    HD1  HIS2021           HD1      HIS2021   6.213   3.035 -11.982
 1016    HD2  HIS2021           HD2      HIS2021   6.746   0.048  -9.139
 1017    HE1  HIS2021           HE1      HIS2021   5.515   0.901 -13.083
 1018    HE2  HIS2021           HE2      HIS2021   6.121  -0.893 -11.430
 1019    H    THR2022           HN       THR2022   8.951   2.069  -6.108
 1020    HA   THR2022           HA       THR2022   9.489   4.856  -5.482
 1021    HB   THR2022           HB       THR2022   7.703   4.347  -3.946
 1022    HG1  THR2022           HG1      THR2022   9.113   5.558  -2.892
 1023   HG21  THR2022          HG21      THR2022   9.332   1.958  -3.048
 1024   HG22  THR2022          HG22      THR2022   7.821   1.896  -3.956
 1025   HG23  THR2022          HG23      THR2022   7.829   2.514  -2.305
 1026    H    SER2023           HN       SER2023  11.498   5.204  -4.442
 1027    HA   SER2023           HA       SER2023  13.401   3.077  -4.858
 1028    HB2  SER2023           HB2      SER2023  13.798   5.413  -5.694
 1029    HB3  SER2023           HB1      SER2023  13.803   5.977  -4.029
 1030    HG   SER2023           HG       SER2023  15.602   4.102  -5.182
 1031    H    LEU2024           HN       LEU2024  11.348   3.971  -2.410
 1032    HA   LEU2024           HA       LEU2024  13.211   3.379  -0.265
 1033    HB2  LEU2024           HB2      LEU2024  10.229   3.927  -0.184
 1034    HB3  LEU2024           HB1      LEU2024  11.154   3.489   1.230
 1035    HG   LEU2024           HG       LEU2024  10.933   5.783   1.426
 1036   HD11  LEU2024          HD11      LEU2024  13.570   5.377   0.081
 1037   HD12  LEU2024          HD12      LEU2024  13.193   5.159   1.789
 1038   HD13  LEU2024          HD13      LEU2024  13.119   6.767   1.067
 1039   HD21  LEU2024          HD21      LEU2024  11.277   7.412  -0.376
 1040   HD22  LEU2024          HD22      LEU2024   9.985   6.279  -0.756
 1041   HD23  LEU2024          HD23      LEU2024  11.569   6.092  -1.512
 1042    H    ALA2025           HN       ALA2025  11.627   1.664  -2.484
 1043    HA   ALA2025           HA       ALA2025  10.661  -0.548  -0.916
 1044    HB1  ALA2025           HB1      ALA2025  10.258  -1.606  -3.085
 1045    HB2  ALA2025           HB2      ALA2025  11.128  -0.289  -3.882
 1046    HB3  ALA2025           HB3      ALA2025   9.621   0.036  -3.033
 1047    H    CYS2026           HN       CYS2026  13.133  -0.405  -3.449
 1048    HA   CYS2026           HA       CYS2026  14.648  -2.335  -1.954
 1049    HB2  CYS2026           HB2      CYS2026  15.428  -3.210  -4.258
 1050    HB3  CYS2026           HB1      CYS2026  13.819  -3.649  -3.718
 1051    H    GLU2027           HN       GLU2027  17.024  -2.312  -3.482
 1052    HA   GLU2027           HA       GLU2027  17.942   0.293  -2.644
 1053    HB2  GLU2027           HB2      GLU2027  19.204  -1.728  -2.012
 1054    HB3  GLU2027           HB1      GLU2027  19.411  -2.132  -3.697
 1055    HG2  GLU2027           HG2      GLU2027  21.434  -1.164  -2.835
 1056    HG3  GLU2027           HG1      GLU2027  20.719  -0.088  -4.033
 1057    H    GLU2028           HN       GLU2028  18.189  -1.802  -5.474
 1058    HA   GLU2028           HA       GLU2028  18.246   0.558  -7.201
 1059    HB2  GLU2028           HB2      GLU2028  20.504  -0.332  -6.914
 1060    HB3  GLU2028           HB1      GLU2028  19.940  -1.952  -7.275
 1061    HG2  GLU2028           HG2      GLU2028  21.129  -1.023  -9.140
 1062    HG3  GLU2028           HG1      GLU2028  19.420  -1.272  -9.523
 1063    H    GLU2029           HN       GLU2029  17.242   0.120  -9.286
 1064    HA   GLU2029           HA       GLU2029  15.303  -2.037  -9.216
 1065    HB2  GLU2029           HB2      GLU2029  14.606   0.160 -10.151
 1066    HB3  GLU2029           HB1      GLU2029  15.884   0.054 -11.354
 1067    HG2  GLU2029           HG2      GLU2029  14.795  -2.004 -12.246
 1068    HG3  GLU2029           HG1      GLU2029  13.466  -1.731 -11.125
 1069    H    VAL2030           HN       VAL2030  16.203  -3.970  -9.642
 1070    HA   VAL2030           HA       VAL2030  18.268  -4.049 -11.732
 1071    HB   VAL2030           HB       VAL2030  17.622  -6.219  -9.714
 1072   HG11  VAL2030          HG11      VAL2030  18.686  -7.027 -11.738
 1073   HG12  VAL2030          HG12      VAL2030  19.797  -7.133 -10.373
 1074   HG13  VAL2030          HG13      VAL2030  19.974  -5.836 -11.559
 1075   HG21  VAL2030          HG21      VAL2030  19.656  -5.529  -8.515
 1076   HG22  VAL2030          HG22      VAL2030  18.449  -4.242  -8.536
 1077   HG23  VAL2030          HG23      VAL2030  19.837  -4.166  -9.618
 1078    HA   PRO2031           HA       PRO2031  15.074  -6.003 -14.130
 1079    HB2  PRO2031           HB2      PRO2031  15.742  -4.732 -16.414
 1080    HB3  PRO2031           HB1      PRO2031  14.805  -3.937 -15.146
 1081    HG2  PRO2031           HG2      PRO2031  17.601  -3.477 -15.962
 1082    HG3  PRO2031           HG1      PRO2031  16.507  -2.431 -15.041
 1083    HD2  PRO2031           HD2      PRO2031  18.597  -4.153 -13.988
 1084    HD3  PRO2031           HD1      PRO2031  17.523  -3.036 -13.153
 1085    H    ARG2032           HN       ARG2032  18.018  -6.747 -13.583
 1086    HA   ARG2032           HA       ARG2032  18.511  -8.308 -16.014
 1087    HB2  ARG2032           HB2      ARG2032  20.524  -7.096 -14.099
 1088    HB3  ARG2032           HB1      ARG2032  20.918  -8.119 -15.472
 1089    HG2  ARG2032           HG2      ARG2032  20.080  -6.452 -17.006
 1090    HG3  ARG2032           HG1      ARG2032  19.537  -5.453 -15.658
 1091    HD2  ARG2032           HD2      ARG2032  21.622  -4.612 -16.573
 1092    HD3  ARG2032           HD1      ARG2032  21.847  -5.185 -14.924
 1093    HE   ARG2032           HE       ARG2032  22.603  -7.329 -16.246
 1094   HH11  ARG2032          HH11      ARG2032  23.376  -3.930 -16.978
 1095   HH12  ARG2032          HH12      ARG2032  24.888  -4.285 -17.641
 1096   HH21  ARG2032          HH21      ARG2032  24.660  -7.805 -17.147
 1097   HH22  ARG2032          HH22      ARG2032  25.648  -6.561 -17.777
  Start of MODEL   17
    1    H1   MET1885           HT1      MET1885  15.626   5.022   3.343
    2    H2   MET1885           HT2      MET1885  17.126   5.332   3.991
    3    H3   MET1885           HT3      MET1885  16.802   5.783   2.384
    4    HA   MET1885           HA       MET1885  16.782   7.641   3.991
    5    HB2  MET1885           HB2      MET1885  14.144   6.922   2.699
    6    HB3  MET1885           HB1      MET1885  14.434   8.471   3.466
    7    HG2  MET1885           HG2      MET1885  16.201   8.956   1.891
    8    HG3  MET1885           HG1      MET1885  16.003   7.368   1.156
    9    HE1  MET1885           HE1      MET1885  13.134   9.753   2.435
   10    HE2  MET1885           HE2      MET1885  12.773  10.673   0.974
   11    HE3  MET1885           HE3      MET1885  14.326  10.876   1.785
   12    H    LYS1886           HN       LYS1886  15.018   8.732   5.509
   13    HA   LYS1886           HA       LYS1886  13.809   6.832   7.314
   14    HB2  LYS1886           HB2      LYS1886  16.205   6.795   7.960
   15    HB3  LYS1886           HB1      LYS1886  16.141   8.529   8.226
   16    HG2  LYS1886           HG2      LYS1886  14.525   8.186  10.027
   17    HG3  LYS1886           HG1      LYS1886  14.597   6.445   9.750
   18    HD2  LYS1886           HD2      LYS1886  17.026   6.507  10.224
   19    HD3  LYS1886           HD1      LYS1886  16.878   8.227  10.600
   20    HE2  LYS1886           HE2      LYS1886  15.418   5.999  12.011
   21    HE3  LYS1886           HE1      LYS1886  16.875   6.787  12.604
   22    HZ1  LYS1886           HZ1      LYS1886  14.318   8.236  12.087
   23    HZ2  LYS1886           HZ2      LYS1886  15.684   8.832  12.882
   24    HZ3  LYS1886           HZ3      LYS1886  14.783   7.582  13.559
   25    H    SER1887           HN       SER1887  11.889   7.947   7.148
   26    HA   SER1887           HA       SER1887  12.006  10.710   8.148
   27    HB2  SER1887           HB2      SER1887   9.849   9.679   6.327
   28    HB3  SER1887           HB1      SER1887  10.200  11.348   6.760
   29    HG   SER1887           HG       SER1887  11.928  11.385   5.484
   30    H    ASN1888           HN       ASN1888   9.076   8.682   7.664
   31    HA   ASN1888           HA       ASN1888   8.364   9.259  10.426
   32    HB2  ASN1888           HB2      ASN1888   6.697   9.745   8.652
   33    HB3  ASN1888           HB1      ASN1888   6.775   8.039   8.203
   34   HD21  ASN1888          HD21      ASN1888   4.559   7.948   8.526
   35   HD22  ASN1888          HD22      ASN1888   3.849   7.804  10.098
   36    H    VAL1889           HN       VAL1889   8.781   7.947  11.850
   37    HA   VAL1889           HA       VAL1889   9.375   5.227  11.067
   38    HB   VAL1889           HB       VAL1889  10.680   5.079  13.249
   39   HG11  VAL1889          HG11      VAL1889  11.737   5.289  11.058
   40   HG12  VAL1889          HG12      VAL1889  12.630   6.203  12.275
   41   HG13  VAL1889          HG13      VAL1889  11.575   7.044  11.140
   42   HG21  VAL1889          HG21      VAL1889   9.716   7.041  14.359
   43   HG22  VAL1889          HG22      VAL1889  10.382   8.086  13.104
   44   HG23  VAL1889          HG23      VAL1889  11.464   7.208  14.188
   45    H    GLN1890           HN       GLN1890   7.516   4.307  11.122
   46    HA   GLN1890           HA       GLN1890   5.955   4.102  13.542
   47    HB2  GLN1890           HB2      GLN1890   5.924   2.350  11.053
   48    HB3  GLN1890           HB1      GLN1890   4.755   2.264  12.360
   49    HG2  GLN1890           HG2      GLN1890   5.180   4.610  10.517
   50    HG3  GLN1890           HG1      GLN1890   3.864   3.443  10.432
   51   HE21  GLN1890          HE21      GLN1890   2.218   3.530  11.974
   52   HE22  GLN1890          HE22      GLN1890   1.999   4.912  12.979
   53    H    ASN1891           HN       ASN1891   5.794   2.062  14.742
   54    HA   ASN1891           HA       ASN1891   8.341   1.133  15.518
   55    HB2  ASN1891           HB2      ASN1891   6.495   1.288  17.099
   56    HB3  ASN1891           HB1      ASN1891   5.585   0.080  16.204
   57   HD21  ASN1891          HD21      ASN1891   8.246   0.643  18.383
   58   HD22  ASN1891          HD22      ASN1891   8.470  -1.001  18.849
   59    H    ASP1892           HN       ASP1892   6.286   0.013  13.051
   60    HA   ASP1892           HA       ASP1892   8.076  -2.276  12.677
   61    HB2  ASP1892           HB2      ASP1892   5.763  -2.925  13.633
   62    HB3  ASP1892           HB1      ASP1892   5.112  -2.464  12.067
   63    H    CYS1893           HN       CYS1893   6.990  -3.153  10.228
   64    HA   CYS1893           HA       CYS1893   7.259  -2.879   8.076
   65    HB2  CYS1893           HB2      CYS1893   5.331  -1.413   8.107
   66    HB3  CYS1893           HB1      CYS1893   6.309  -0.056   8.649
   67    H    ARG1894           HN       ARG1894   9.373  -3.382   8.501
   68    HA   ARG1894           HA       ARG1894  11.258  -1.968   7.043
   69    HB2  ARG1894           HB2      ARG1894  12.909  -1.479   8.918
   70    HB3  ARG1894           HB1      ARG1894  11.529  -0.399   8.858
   71    HG2  ARG1894           HG2      ARG1894  10.482  -1.697  10.685
   72    HG3  ARG1894           HG1      ARG1894  11.936  -2.696  10.765
   73    HD2  ARG1894           HD2      ARG1894  13.268  -0.822  11.399
   74    HD3  ARG1894           HD1      ARG1894  11.940   0.296  11.092
   75    HE   ARG1894           HE       ARG1894  11.503  -1.766  13.084
   76   HH11  ARG1894          HH11      ARG1894  12.376   1.648  12.465
   77   HH12  ARG1894          HH12      ARG1894  11.866   2.177  13.990
   78   HH21  ARG1894          HH21      ARG1894  10.956  -1.002  15.238
   79   HH22  ARG1894          HH22      ARG1894  11.081   0.647  15.637
   80    H    VAL1895           HN       VAL1895  12.329  -3.639   6.185
   81    HA   VAL1895           HA       VAL1895  13.152  -5.813   7.938
   82    HB   VAL1895           HB       VAL1895  10.959  -6.512   7.041
   83   HG11  VAL1895          HG11      VAL1895  10.642  -7.011   4.661
   84   HG12  VAL1895          HG12      VAL1895  12.200  -6.262   4.312
   85   HG13  VAL1895          HG13      VAL1895  10.884  -5.291   4.970
   86   HG21  VAL1895          HG21      VAL1895  13.257  -8.087   5.891
   87   HG22  VAL1895          HG22      VAL1895  11.617  -8.693   6.113
   88   HG23  VAL1895          HG23      VAL1895  12.588  -8.240   7.514
   89    H    THR1896           HN       THR1896  15.073  -6.733   7.340
   90    HA   THR1896           HA       THR1896  16.473  -5.348   5.208
   91    HB   THR1896           HB       THR1896  17.548  -7.375   7.198
   92    HG1  THR1896           HG1      THR1896  16.600  -5.329   8.101
   93   HG21  THR1896          HG21      THR1896  18.934  -5.267   5.518
   94   HG22  THR1896          HG22      THR1896  18.972  -7.004   5.211
   95   HG23  THR1896          HG23      THR1896  19.718  -6.347   6.671
   96    H    ASN1897           HN       ASN1897  17.080  -6.293   3.290
   97    HA   ASN1897           HA       ASN1897  16.248  -9.086   2.848
   98    HB2  ASN1897           HB2      ASN1897  15.339  -7.322   1.305
   99    HB3  ASN1897           HB1      ASN1897  16.984  -6.955   0.815
  100   HD21  ASN1897          HD21      ASN1897  14.936  -7.733  -0.934
  101   HD22  ASN1897          HD22      ASN1897  15.403  -9.206  -1.683
  102    HA   PRO1898           HA       PRO1898  20.718  -9.745   3.235
  103    HB2  PRO1898           HB2      PRO1898  20.591 -12.466   2.996
  104    HB3  PRO1898           HB1      PRO1898  20.289 -11.595   4.505
  105    HG2  PRO1898           HG2      PRO1898  18.328 -12.661   2.510
  106    HG3  PRO1898           HG1      PRO1898  18.275 -12.750   4.281
  107    HD2  PRO1898           HD2      PRO1898  16.825 -10.955   2.922
  108    HD3  PRO1898           HD1      PRO1898  17.557 -10.563   4.490
  109    H    ALA1899           HN       ALA1899  18.664 -10.650   0.561
  110    HA   ALA1899           HA       ALA1899  20.868 -11.597  -1.050
  111    HB1  ALA1899           HB1      ALA1899  18.011 -11.036  -1.850
  112    HB2  ALA1899           HB2      ALA1899  18.637 -12.592  -1.306
  113    HB3  ALA1899           HB3      ALA1899  19.217 -11.887  -2.816
  114    H    THR1900           HN       THR1900  19.183  -8.640  -0.518
  115    HA   THR1900           HA       THR1900  20.448  -7.399  -2.852
  116    HB   THR1900           HB       THR1900  18.527  -6.118  -0.895
  117    HG1  THR1900           HG1      THR1900  18.080  -7.597  -3.292
  118   HG21  THR1900          HG21      THR1900  18.057  -4.629  -2.785
  119   HG22  THR1900          HG22      THR1900  19.234  -5.501  -3.770
  120   HG23  THR1900          HG23      THR1900  19.769  -4.588  -2.359
  121    H    GLY1901           HN       GLY1901  20.436  -7.329   0.691
  122    HA2  GLY1901           HA2      GLY1901  22.094  -6.528   2.092
  123    HA3  GLY1901           HA1      GLY1901  22.886  -5.777   0.706
  124    H    HIS1902           HN       HIS1902  19.618  -5.230   0.767
  125    HA   HIS1902           HA       HIS1902  20.017  -2.489   1.784
  126    HB2  HIS1902           HB2      HIS1902  19.434  -2.878  -0.715
  127    HB3  HIS1902           HB1      HIS1902  17.853  -3.374  -0.140
  128    HD1  HIS1902           HD1      HIS1902  19.670  -0.522  -1.282
  129    HD2  HIS1902           HD2      HIS1902  16.531  -1.123   1.356
  130    HE1  HIS1902           HE1      HIS1902  18.560   1.721  -1.015
  131    HE2  HIS1902           HE2      HIS1902  17.024   1.354   0.912
  132    H    LEU1903           HN       LEU1903  18.619  -1.783   3.307
  133    HA   LEU1903           HA       LEU1903  16.800  -3.758   4.446
  134    HB2  LEU1903           HB2      LEU1903  18.474  -2.434   5.867
  135    HB3  LEU1903           HB1      LEU1903  17.536  -1.007   5.513
  136    HG   LEU1903           HG       LEU1903  16.454  -3.399   7.033
  137   HD11  LEU1903          HD11      LEU1903  17.560  -0.804   8.077
  138   HD12  LEU1903          HD12      LEU1903  18.288  -2.400   8.257
  139   HD13  LEU1903          HD13      LEU1903  16.751  -2.038   9.042
  140   HD21  LEU1903          HD21      LEU1903  14.716  -2.000   6.017
  141   HD22  LEU1903          HD22      LEU1903  15.418  -0.573   6.776
  142   HD23  LEU1903          HD23      LEU1903  14.709  -1.845   7.774
  143    H    PHE1904           HN       PHE1904  14.668  -3.607   4.056
  144    HA   PHE1904           HA       PHE1904  13.794  -1.438   2.330
  145    HB2  PHE1904           HB2      PHE1904  12.460  -4.052   3.066
  146    HB3  PHE1904           HB1      PHE1904  11.820  -2.864   1.949
  147    HD1  PHE1904           HD2      PHE1904  14.994  -2.560   0.988
  148    HD2  PHE1904           HD1      PHE1904  12.027  -5.606   1.172
  149    HE1  PHE1904           HE2      PHE1904  16.083  -3.728  -0.879
  150    HE2  PHE1904           HE1      PHE1904  13.096  -6.775  -0.688
  151    HZ   PHE1904           HZ       PHE1904  15.140  -5.839  -1.726
  152    H    ASP1905           HN       ASP1905  13.124   0.223   3.496
  153    HA   ASP1905           HA       ASP1905  10.968  -0.305   5.325
  154    HB2  ASP1905           HB2      ASP1905  11.749   1.107   7.066
  155    HB3  ASP1905           HB1      ASP1905  13.104   0.062   6.681
  156    H    LEU1906           HN       LEU1906   9.424   1.025   5.119
  157    HA   LEU1906           HA       LEU1906   9.591   2.963   2.943
  158    HB2  LEU1906           HB2      LEU1906   7.262   1.661   4.337
  159    HB3  LEU1906           HB1      LEU1906   7.143   2.745   2.967
  160    HG   LEU1906           HG       LEU1906   8.608   0.106   2.859
  161   HD11  LEU1906          HD11      LEU1906   6.644  -0.773   1.711
  162   HD12  LEU1906          HD12      LEU1906   5.789   0.745   1.996
  163   HD13  LEU1906          HD13      LEU1906   6.245  -0.277   3.356
  164   HD21  LEU1906          HD21      LEU1906   7.590   1.962   0.711
  165   HD22  LEU1906          HD22      LEU1906   8.393   0.413   0.444
  166   HD23  LEU1906          HD23      LEU1906   9.277   1.748   1.185
  167    H    THR1907           HN       THR1907  10.632   3.665   5.642
  168    HA   THR1907           HA       THR1907   8.704   4.895   7.257
  169    HB   THR1907           HB       THR1907  10.594   6.232   8.226
  170    HG1  THR1907           HG1      THR1907  12.366   4.704   6.652
  171   HG21  THR1907          HG21      THR1907  10.021   4.028   9.124
  172   HG22  THR1907          HG22      THR1907  11.767   4.284   9.180
  173   HG23  THR1907          HG23      THR1907  11.067   3.256   7.931
  174    H    SER1908           HN       SER1908  10.575   6.245   4.614
  175    HA   SER1908           HA       SER1908   9.725   8.895   4.971
  176    HB2  SER1908           HB2      SER1908  10.759   7.488   2.526
  177    HB3  SER1908           HB1      SER1908  10.710   9.238   2.783
  178    HG   SER1908           HG       SER1908  12.027   8.994   4.539
  179    H    LEU1909           HN       LEU1909   8.136   6.170   3.655
  180    HA   LEU1909           HA       LEU1909   6.446   7.821   1.972
  181    HB2  LEU1909           HB2      LEU1909   7.701   5.691   1.252
  182    HB3  LEU1909           HB1      LEU1909   6.462   4.832   2.135
  183    HG   LEU1909           HG       LEU1909   4.749   5.763   0.654
  184   HD11  LEU1909          HD11      LEU1909   5.852   7.886   0.118
  185   HD12  LEU1909          HD12      LEU1909   5.428   7.005  -1.351
  186   HD13  LEU1909          HD13      LEU1909   7.095   7.017  -0.780
  187   HD21  LEU1909          HD21      LEU1909   7.075   4.497  -0.774
  188   HD22  LEU1909          HD22      LEU1909   5.411   4.538  -1.353
  189   HD23  LEU1909          HD23      LEU1909   5.815   3.635   0.109
  190    H    LYS1910           HN       LYS1910   6.446   5.987   4.924
  191    HA   LYS1910           HA       LYS1910   3.626   5.666   5.343
  192    HB2  LYS1910           HB2      LYS1910   5.649   6.233   7.539
  193    HB3  LYS1910           HB1      LYS1910   4.130   5.348   7.657
  194    HG2  LYS1910           HG2      LYS1910   5.033   3.489   6.525
  195    HG3  LYS1910           HG1      LYS1910   6.487   4.383   6.076
  196    HD2  LYS1910           HD2      LYS1910   7.038   4.595   8.490
  197    HD3  LYS1910           HD1      LYS1910   5.650   3.571   8.861
  198    HE2  LYS1910           HE2      LYS1910   6.594   1.777   7.510
  199    HE3  LYS1910           HE1      LYS1910   7.978   2.788   7.116
  200    HZ1  LYS1910           HZ1      LYS1910   7.274   1.774   9.831
  201    HZ2  LYS1910           HZ2      LYS1910   8.615   2.753   9.467
  202    HZ3  LYS1910           HZ3      LYS1910   8.477   1.205   8.820
  203    H    ARG1911           HN       ARG1911   2.175   7.335   5.778
  204    HA   ARG1911           HA       ARG1911   3.417   9.687   6.847
  205    HB2  ARG1911           HB2      ARG1911   1.887  11.121   5.362
  206    HB3  ARG1911           HB1      ARG1911   3.341  10.419   4.683
  207    HG2  ARG1911           HG2      ARG1911   1.918   8.598   3.744
  208    HG3  ARG1911           HG1      ARG1911   0.507   9.505   4.300
  209    HD2  ARG1911           HD2      ARG1911   2.622  10.585   2.442
  210    HD3  ARG1911           HD1      ARG1911   1.074   9.920   1.919
  211    HE   ARG1911           HE       ARG1911   0.638  11.942   3.821
  212   HH11  ARG1911          HH11      ARG1911   2.045  11.814   0.563
  213   HH12  ARG1911          HH12      ARG1911   1.210  13.173   0.009
  214   HH21  ARG1911          HH21      ARG1911  -0.512  13.851   3.028
  215   HH22  ARG1911          HH22      ARG1911  -0.339  14.322   1.409
  216    H    GLU1912           HN       GLU1912   1.641  11.424   7.267
  217    HA   GLU1912           HA       GLU1912   0.491  10.484   9.680
  218    HB2  GLU1912           HB2      GLU1912   0.100  13.160   8.321
  219    HB3  GLU1912           HB1      GLU1912  -0.164  12.793  10.009
  220    HG2  GLU1912           HG2      GLU1912   1.857  14.069   9.802
  221    HG3  GLU1912           HG1      GLU1912   2.289  12.427  10.260
  222    H    SER1913           HN       SER1913  -0.809  11.804   6.697
  223    HA   SER1913           HA       SER1913  -3.529  11.290   7.584
  224    HB2  SER1913           HB2      SER1913  -2.908  13.490   6.637
  225    HB3  SER1913           HB1      SER1913  -2.459  12.710   5.129
  226    HG   SER1913           HG       SER1913  -4.758  11.938   5.186
  227    H    GLY1914           HN       GLY1914  -1.514  10.652   4.728
  228    HA2  GLY1914           HA2      GLY1914  -1.581   8.159   4.123
  229    HA3  GLY1914           HA1      GLY1914  -3.312   8.500   3.914
  230    H    TYR1915           HN       TYR1915  -1.995   7.670   1.648
  231    HA   TYR1915           HA       TYR1915  -1.657  10.205   0.235
  232    HB2  TYR1915           HB2      TYR1915   0.465   8.841   0.373
  233    HB3  TYR1915           HB1      TYR1915  -0.364   7.554  -0.491
  234    HD1  TYR1915           HD1      TYR1915   1.111  10.904  -0.787
  235    HD2  TYR1915           HD2      TYR1915  -0.822   7.748  -2.870
  236    HE1  TYR1915           HE1      TYR1915   1.784  11.903  -2.920
  237    HE2  TYR1915           HE2      TYR1915  -0.149   8.749  -5.020
  238    HH   TYR1915           HH       TYR1915   2.191  11.180  -5.203
  239    H    THR1916           HN       THR1916  -2.678  10.352  -1.764
  240    HA   THR1916           HA       THR1916  -4.529   8.144  -2.449
  241    HB   THR1916           HB       THR1916  -5.692   9.954  -1.062
  242    HG1  THR1916           HG1      THR1916  -6.737   8.629  -2.654
  243   HG21  THR1916          HG21      THR1916  -5.040  11.553  -3.517
  244   HG22  THR1916          HG22      THR1916  -4.400  11.838  -1.908
  245   HG23  THR1916          HG23      THR1916  -6.132  12.092  -2.229
  246    H    ILE1917           HN       ILE1917  -5.049   7.798  -4.134
  247    HA   ILE1917           HA       ILE1917  -4.088   9.291  -6.426
  248    HB   ILE1917           HB       ILE1917  -4.075   7.057  -7.522
  249   HG12  ILE1917          HG12      ILE1917  -3.740   6.013  -4.707
  250   HG13  ILE1917          HG11      ILE1917  -5.104   5.719  -5.775
  251   HG21  ILE1917          HG21      ILE1917  -1.842   7.706  -5.594
  252   HG22  ILE1917          HG22      ILE1917  -2.004   8.280  -7.253
  253   HG23  ILE1917          HG23      ILE1917  -1.668   6.587  -6.942
  254   HD11  ILE1917          HD11      ILE1917  -2.280   4.767  -6.216
  255   HD12  ILE1917          HD12      ILE1917  -3.650   4.468  -7.285
  256   HD13  ILE1917          HD13      ILE1917  -3.635   3.786  -5.659
  257    H    THR1918           HN       THR1918  -5.582   8.609  -8.335
  258    HA   THR1918           HA       THR1918  -8.268   8.470  -7.213
  259    HB   THR1918           HB       THR1918  -7.461   8.995 -10.087
  260    HG1  THR1918           HG1      THR1918  -6.605  10.708  -9.299
  261   HG21  THR1918          HG21      THR1918  -9.905   9.789  -8.470
  262   HG22  THR1918          HG22      THR1918  -9.856   8.501  -9.675
  263   HG23  THR1918          HG23      THR1918  -9.623  10.176 -10.167
  264    H    ASP1919           HN       ASP1919  -9.772   6.877  -7.950
  265    HA   ASP1919           HA       ASP1919  -8.478   4.467  -8.913
  266    HB2  ASP1919           HB2      ASP1919 -10.053   4.332  -6.909
  267    HB3  ASP1919           HB1      ASP1919 -11.352   4.904  -7.940
  268    H    SER1920           HN       SER1920 -11.072   3.624 -10.175
  269    HA   SER1920           HA       SER1920 -10.352   4.193 -12.821
  270    HB2  SER1920           HB2      SER1920 -12.989   3.104 -11.876
  271    HB3  SER1920           HB1      SER1920 -12.093   2.716 -13.348
  272    HG   SER1920           HG       SER1920 -11.527   2.013 -10.677
  273    H    HIS1921           HN       HIS1921 -13.168   5.221 -10.834
  274    HA   HIS1921           HA       HIS1921 -13.480   7.619 -12.404
  275    HB2  HIS1921           HB2      HIS1921 -14.613   5.867 -13.773
  276    HB3  HIS1921           HB1      HIS1921 -15.647   5.497 -12.402
  277    HD1  HIS1921           HD1      HIS1921 -17.888   6.498 -12.662
  278    HD2  HIS1921           HD2      HIS1921 -14.953   8.828 -14.474
  279    HE1  HIS1921           HE1      HIS1921 -19.111   8.411 -13.769
  280    HE2  HIS1921           HE2      HIS1921 -17.335   9.632 -15.065
  281    H    ASN1922           HN       ASN1922 -14.068   9.142 -11.001
  282    HA   ASN1922           HA       ASN1922 -15.258  10.327  -9.508
  283    HB2  ASN1922           HB2      ASN1922 -16.643   7.737  -8.966
  284    HB3  ASN1922           HB1      ASN1922 -17.078   9.228  -8.124
  285   HD21  ASN1922          HD21      ASN1922 -18.610   7.459  -9.779
  286   HD22  ASN1922          HD22      ASN1922 -19.258   8.343 -11.100
  287    H    ARG1923           HN       ARG1923 -14.635   7.179  -8.249
  288    HA   ARG1923           HA       ARG1923 -14.102   8.142  -5.607
  289    HB2  ARG1923           HB2      ARG1923 -13.689   5.783  -5.074
  290    HB3  ARG1923           HB1      ARG1923 -15.236   6.063  -5.857
  291    HG2  ARG1923           HG2      ARG1923 -14.225   5.289  -7.983
  292    HG3  ARG1923           HG1      ARG1923 -12.759   4.889  -7.087
  293    HD2  ARG1923           HD2      ARG1923 -14.118   3.419  -5.625
  294    HD3  ARG1923           HD1      ARG1923 -15.511   3.744  -6.657
  295    HE   ARG1923           HE       ARG1923 -13.201   2.764  -8.070
  296   HH11  ARG1923          HH11      ARG1923 -16.111   1.736  -6.301
  297   HH12  ARG1923          HH12      ARG1923 -16.120   0.189  -7.037
  298   HH21  ARG1923          HH21      ARG1923 -13.269   0.727  -9.028
  299   HH22  ARG1923          HH22      ARG1923 -14.532  -0.382  -8.659
  300    H    LYS1924           HN       LYS1924 -12.208   7.939  -4.453
  301    HA   LYS1924           HA       LYS1924  -9.776   7.788  -6.089
  302    HB2  LYS1924           HB2      LYS1924 -10.111   9.238  -3.455
  303    HB3  LYS1924           HB1      LYS1924  -8.679   9.205  -4.463
  304    HG2  LYS1924           HG2      LYS1924 -10.008  10.428  -6.210
  305    HG3  LYS1924           HG1      LYS1924 -11.284  10.604  -5.002
  306    HD2  LYS1924           HD2      LYS1924  -8.446  11.631  -4.808
  307    HD3  LYS1924           HD1      LYS1924  -9.907  12.598  -5.007
  308    HE2  LYS1924           HE2      LYS1924  -9.306  10.861  -2.606
  309    HE3  LYS1924           HE1      LYS1924  -8.993  12.592  -2.688
  310    HZ1  LYS1924           HZ1      LYS1924 -11.673  11.312  -2.924
  311    HZ2  LYS1924           HZ2      LYS1924 -11.338  12.980  -2.968
  312    HZ3  LYS1924           HZ3      LYS1924 -11.051  12.085  -1.563
  313    H    ILE1925           HN       ILE1925  -7.952   6.894  -4.904
  314    HA   ILE1925           HA       ILE1925  -8.869   4.900  -2.992
  315    HB   ILE1925           HB       ILE1925  -6.388   4.844  -4.737
  316   HG12  ILE1925          HG12      ILE1925  -8.964   3.269  -4.882
  317   HG13  ILE1925          HG11      ILE1925  -8.444   4.503  -6.016
  318   HG21  ILE1925          HG21      ILE1925  -7.523   2.787  -2.831
  319   HG22  ILE1925          HG22      ILE1925  -6.060   3.739  -2.581
  320   HG23  ILE1925          HG23      ILE1925  -6.128   2.550  -3.885
  321   HD11  ILE1925          HD11      ILE1925  -6.527   3.067  -6.673
  322   HD12  ILE1925          HD12      ILE1925  -8.074   2.263  -6.950
  323   HD13  ILE1925          HD13      ILE1925  -7.100   1.832  -5.554
  324    H    GLU1926           HN       GLU1926  -8.381   5.303  -1.100
  325    HA   GLU1926           HA       GLU1926  -6.204   7.142  -0.361
  326    HB2  GLU1926           HB2      GLU1926  -8.473   7.396   0.678
  327    HB3  GLU1926           HB1      GLU1926  -8.297   5.786   1.359
  328    HG2  GLU1926           HG2      GLU1926  -7.808   7.288   3.094
  329    HG3  GLU1926           HG1      GLU1926  -6.258   6.644   2.559
  330    H    LEU1927           HN       LEU1927  -4.297   6.219   0.125
  331    HA   LEU1927           HA       LEU1927  -4.282   3.707   1.499
  332    HB2  LEU1927           HB2      LEU1927  -2.310   3.028  -0.149
  333    HB3  LEU1927           HB1      LEU1927  -3.955   2.575  -0.492
  334    HG   LEU1927           HG       LEU1927  -4.071   4.605  -2.024
  335   HD11  LEU1927          HD11      LEU1927  -1.090   4.610  -1.664
  336   HD12  LEU1927          HD12      LEU1927  -2.207   5.878  -1.165
  337   HD13  LEU1927          HD13      LEU1927  -1.993   5.516  -2.879
  338   HD21  LEU1927          HD21      LEU1927  -3.811   2.344  -2.857
  339   HD22  LEU1927          HD22      LEU1927  -2.056   2.481  -2.709
  340   HD23  LEU1927          HD23      LEU1927  -2.929   3.504  -3.845
  341    H    ASN1928           HN       ASN1928  -3.099   3.893   3.193
  342    HA   ASN1928           HA       ASN1928  -0.866   5.769   3.028
  343    HB2  ASN1928           HB2      ASN1928  -2.592   6.272   4.784
  344    HB3  ASN1928           HB1      ASN1928  -2.162   4.772   5.590
  345   HD21  ASN1928          HD21      ASN1928  -1.591   6.079   7.439
  346   HD22  ASN1928          HD22      ASN1928  -0.101   6.939   7.461
  347    H    VAL1929           HN       VAL1929   1.093   5.129   3.247
  348    HA   VAL1929           HA       VAL1929   1.644   2.423   2.713
  349    HB   VAL1929           HB       VAL1929   3.574   4.650   3.347
  350   HG11  VAL1929          HG11      VAL1929   5.193   3.303   2.121
  351   HG12  VAL1929          HG12      VAL1929   3.992   2.021   1.942
  352   HG13  VAL1929          HG13      VAL1929   4.601   2.445   3.545
  353   HG21  VAL1929          HG21      VAL1929   2.475   3.640   0.742
  354   HG22  VAL1929          HG22      VAL1929   3.726   4.870   0.929
  355   HG23  VAL1929          HG23      VAL1929   2.090   5.179   1.510
  356    H    CYS1930           HN       CYS1930   1.317   1.025   4.164
  357    HA   CYS1930           HA       CYS1930   1.347  -0.251   5.987
  358    HB2  CYS1930           HB2      CYS1930   3.582  -0.716   7.045
  359    HB3  CYS1930           HB1      CYS1930   3.519  -0.888   5.305
  360    H    ALA1931           HN       ALA1931   0.619   2.464   6.398
  361    HA   ALA1931           HA       ALA1931   0.612   2.360   9.274
  362    HB1  ALA1931           HB1      ALA1931   0.836   4.809   9.355
  363    HB2  ALA1931           HB2      ALA1931   1.113   4.841   7.612
  364    HB3  ALA1931           HB3      ALA1931   2.276   4.048   8.679
  365    H    GLU1932           HN       GLU1932  -1.198   3.281  10.046
  366    HA   GLU1932           HA       GLU1932  -3.531   2.792   8.472
  367    HB2  GLU1932           HB2      GLU1932  -4.726   3.615  10.593
  368    HB3  GLU1932           HB1      GLU1932  -3.687   2.208  10.732
  369    HG2  GLU1932           HG2      GLU1932  -1.878   3.661  11.569
  370    HG3  GLU1932           HG1      GLU1932  -3.004   5.016  11.527
  371    H    ALA1933           HN       ALA1933  -5.059   4.220   7.627
  372    HA   ALA1933           HA       ALA1933  -3.970   6.871   7.063
  373    HB1  ALA1933           HB1      ALA1933  -5.562   6.922   5.210
  374    HB2  ALA1933           HB2      ALA1933  -6.241   5.385   5.741
  375    HB3  ALA1933           HB3      ALA1933  -4.579   5.460   5.153
  376    H    LYS1934           HN       LYS1934  -5.227   8.758   7.279
  377    HA   LYS1934           HA       LYS1934  -7.553   8.458   9.075
  378    HB2  LYS1934           HB2      LYS1934  -5.269  10.385   9.412
  379    HB3  LYS1934           HB1      LYS1934  -6.825  10.637  10.178
  380    HG2  LYS1934           HG2      LYS1934  -5.413   9.678  11.802
  381    HG3  LYS1934           HG1      LYS1934  -6.504   8.395  11.289
  382    HD2  LYS1934           HD2      LYS1934  -4.724   7.560   9.787
  383    HD3  LYS1934           HD1      LYS1934  -3.647   8.802  10.431
  384    HE2  LYS1934           HE2      LYS1934  -3.274   6.659  11.520
  385    HE3  LYS1934           HE1      LYS1934  -3.888   7.853  12.661
  386    HZ1  LYS1934           HZ1      LYS1934  -4.915   5.603  12.809
  387    HZ2  LYS1934           HZ2      LYS1934  -5.657   5.857  11.323
  388    HZ3  LYS1934           HZ3      LYS1934  -6.015   6.859  12.634
  389    H    SER1935           HN       SER1935  -6.604   9.798   6.122
  390    HA   SER1935           HA       SER1935  -8.281  12.081   6.381
  391    HB2  SER1935           HB2      SER1935  -7.712  11.941   3.735
  392    HB3  SER1935           HB1      SER1935  -6.672  12.689   4.950
  393    HG   SER1935           HG       SER1935  -6.325  10.395   3.506
  394    H    SER1936           HN       SER1936  -8.511   9.521   3.855
  395    HA   SER1936           HA       SER1936 -11.368   9.954   3.868
  396    HB2  SER1936           HB2      SER1936  -9.756   7.962   2.268
  397    HB3  SER1936           HB1      SER1936 -11.400   8.518   1.929
  398    HG   SER1936           HG       SER1936  -8.965   9.906   1.779
  399    H    CYS1937           HN       CYS1937  -9.136   7.927   5.371
  400    HA   CYS1937           HA       CYS1937 -11.131   5.898   6.021
  401    HB2  CYS1937           HB2      CYS1937  -8.179   5.996   6.707
  402    HB3  CYS1937           HB1      CYS1937  -9.257   4.628   6.931
  403    H    ALA1938           HN       ALA1938 -11.231   5.346   8.401
  404    HA   ALA1938           HA       ALA1938 -11.222   7.803   9.925
  405    HB1  ALA1938           HB1      ALA1938 -12.465   6.611  11.597
  406    HB2  ALA1938           HB2      ALA1938 -12.139   5.085  10.803
  407    HB3  ALA1938           HB3      ALA1938 -13.182   6.281  10.012
  408    H    ASN1939           HN       ASN1939 -10.368   4.536  10.997
  409    HA   ASN1939           HA       ASN1939  -8.198   5.783  12.315
  410    HB2  ASN1939           HB2      ASN1939  -9.725   5.641  14.034
  411    HB3  ASN1939           HB1      ASN1939 -10.296   4.062  13.535
  412   HD21  ASN1939          HD21      ASN1939  -9.327   2.311  14.270
  413   HD22  ASN1939          HD22      ASN1939  -8.135   2.291  15.518
  414    H    GLY1940           HN       GLY1940  -9.337   2.395  11.941
  415    HA2  GLY1940           HA2      GLY1940  -6.519   1.626  11.876
  416    HA3  GLY1940           HA1      GLY1940  -7.876   0.573  12.214
  417    H    ALA1941           HN       ALA1941  -8.536   2.464   9.584
  418    HA   ALA1941           HA       ALA1941  -8.052   0.227   7.800
  419    HB1  ALA1941           HB1      ALA1941 -10.203   1.361   7.676
  420    HB2  ALA1941           HB2      ALA1941  -9.319   1.567   6.163
  421    HB3  ALA1941           HB3      ALA1941  -9.397   2.886   7.330
  422    H    ALA1942           HN       ALA1942  -6.724   0.369   5.940
  423    HA   ALA1942           HA       ALA1942  -4.811   2.580   6.110
  424    HB1  ALA1942           HB1      ALA1942  -4.214  -0.248   5.266
  425    HB2  ALA1942           HB2      ALA1942  -3.806   0.472   6.824
  426    HB3  ALA1942           HB3      ALA1942  -3.054   1.078   5.345
  427    H    VAL1943           HN       VAL1943  -6.576   0.391   4.001
  428    HA   VAL1943           HA       VAL1943  -6.100   2.270   1.813
  429    HB   VAL1943           HB       VAL1943  -6.511  -0.729   1.543
  430   HG11  VAL1943          HG11      VAL1943  -5.912   1.349  -0.561
  431   HG12  VAL1943          HG12      VAL1943  -7.465   0.557  -0.293
  432   HG13  VAL1943          HG13      VAL1943  -6.080  -0.391  -0.825
  433   HG21  VAL1943          HG21      VAL1943  -4.195  -0.789   0.702
  434   HG22  VAL1943          HG22      VAL1943  -4.292  -0.287   2.386
  435   HG23  VAL1943          HG23      VAL1943  -4.012   0.916   1.130
  436    H    CYS1944           HN       CYS1944  -7.857   3.237   1.402
  437    HA   CYS1944           HA       CYS1944 -10.427   1.830   1.708
  438    HB2  CYS1944           HB2      CYS1944  -9.915   4.756   2.227
  439    HB3  CYS1944           HB1      CYS1944 -11.449   3.912   2.397
  440    H    ILE1945           HN       ILE1945 -11.442   1.662  -0.143
  441    HA   ILE1945           HA       ILE1945 -10.805   3.414  -2.363
  442    HB   ILE1945           HB       ILE1945 -13.018   1.329  -2.151
  443   HG12  ILE1945          HG12      ILE1945 -10.868   0.223  -1.773
  444   HG13  ILE1945          HG11      ILE1945 -11.519  -0.222  -3.343
  445   HG21  ILE1945          HG21      ILE1945 -13.339   2.928  -3.946
  446   HG22  ILE1945          HG22      ILE1945 -12.939   1.344  -4.611
  447   HG23  ILE1945          HG23      ILE1945 -11.714   2.611  -4.547
  448   HD11  ILE1945          HD11      ILE1945  -9.325   1.776  -2.831
  449   HD12  ILE1945          HD12      ILE1945  -9.982   1.358  -4.414
  450   HD13  ILE1945          HD13      ILE1945  -9.126   0.143  -3.466
  451    H    THR1946           HN       THR1946 -11.663   5.403  -2.186
  452    HA   THR1946           HA       THR1946 -14.053   5.629  -0.517
  453    HB   THR1946           HB       THR1946 -12.253   7.931  -1.167
  454    HG1  THR1946           HG1      THR1946 -11.364   5.717  -0.157
  455   HG21  THR1946          HG21      THR1946 -12.974   8.644   1.065
  456   HG22  THR1946          HG22      THR1946 -13.840   7.128   1.283
  457   HG23  THR1946          HG23      THR1946 -14.381   8.282   0.061
  458    H    ASP1947           HN       ASP1947 -15.683   5.553  -1.884
  459    HA   ASP1947           HA       ASP1947 -15.646   7.130  -4.352
  460    HB2  ASP1947           HB2      ASP1947 -16.478   4.762  -4.394
  461    HB3  ASP1947           HB1      ASP1947 -17.738   5.223  -3.259
  462    H    GLY1948           HN       GLY1948 -15.849   9.196  -3.626
  463    HA2  GLY1948           HA2      GLY1948 -16.788  11.020  -2.653
  464    HA3  GLY1948           HA1      GLY1948 -18.302  10.121  -2.633
  465    HA   PRO1949           HA       PRO1949 -17.469  10.058   1.773
  466    HB2  PRO1949           HB2      PRO1949 -19.975   9.531   2.565
  467    HB3  PRO1949           HB1      PRO1949 -19.516  11.132   1.978
  468    HG2  PRO1949           HG2      PRO1949 -21.030   8.971   0.594
  469    HG3  PRO1949           HG1      PRO1949 -21.237  10.726   0.501
  470    HD2  PRO1949           HD2      PRO1949 -19.894   9.146  -1.362
  471    HD3  PRO1949           HD1      PRO1949 -19.746  10.905  -1.205
  472    H    LYS1950           HN       LYS1950 -18.511   7.589  -0.346
  473    HA   LYS1950           HA       LYS1950 -18.981   5.540   1.601
  474    HB2  LYS1950           HB2      LYS1950 -18.480   5.267  -1.359
  475    HB3  LYS1950           HB1      LYS1950 -19.179   4.050  -0.291
  476    HG2  LYS1950           HG2      LYS1950 -21.042   5.424   0.134
  477    HG3  LYS1950           HG1      LYS1950 -20.382   6.730  -0.852
  478    HD2  LYS1950           HD2      LYS1950 -21.942   5.645  -2.272
  479    HD3  LYS1950           HD1      LYS1950 -20.367   5.036  -2.777
  480    HE2  LYS1950           HE2      LYS1950 -21.955   3.217  -2.667
  481    HE3  LYS1950           HE1      LYS1950 -20.745   3.020  -1.398
  482    HZ1  LYS1950           HZ1      LYS1950 -22.275   3.721   0.239
  483    HZ2  LYS1950           HZ2      LYS1950 -23.173   2.666  -0.750
  484    HZ3  LYS1950           HZ3      LYS1950 -23.334   4.344  -0.914
  485    H    THR1951           HN       THR1951 -17.501   4.759   2.655
  486    HA   THR1951           HA       THR1951 -14.762   4.727   1.597
  487    HB   THR1951           HB       THR1951 -15.686   4.404   4.459
  488    HG1  THR1951           HG1      THR1951 -16.035   6.472   3.114
  489   HG21  THR1951          HG21      THR1951 -13.351   5.005   4.980
  490   HG22  THR1951          HG22      THR1951 -12.994   5.103   3.255
  491   HG23  THR1951          HG23      THR1951 -13.416   3.553   3.977
  492    H    LEU1952           HN       LEU1952 -14.513   2.799   0.561
  493    HA   LEU1952           HA       LEU1952 -15.542   0.387   1.818
  494    HB2  LEU1952           HB2      LEU1952 -15.996   0.726  -0.566
  495    HB3  LEU1952           HB1      LEU1952 -14.279   0.855  -0.883
  496    HG   LEU1952           HG       LEU1952 -13.979  -1.501  -0.256
  497   HD11  LEU1952          HD11      LEU1952 -15.925  -2.937   0.079
  498   HD12  LEU1952          HD12      LEU1952 -16.979  -1.523   0.048
  499   HD13  LEU1952          HD13      LEU1952 -15.799  -1.718   1.347
  500   HD21  LEU1952          HD21      LEU1952 -16.132  -1.028  -2.312
  501   HD22  LEU1952          HD22      LEU1952 -15.122  -2.470  -2.194
  502   HD23  LEU1952          HD23      LEU1952 -14.394  -0.914  -2.581
  503    H    ASN1953           HN       ASN1953 -14.257  -0.500   3.240
  504    HA   ASN1953           HA       ASN1953 -11.460  -0.030   3.399
  505    HB2  ASN1953           HB2      ASN1953 -12.895  -0.615   5.357
  506    HB3  ASN1953           HB1      ASN1953 -13.073  -2.236   4.699
  507   HD21  ASN1953          HD21      ASN1953 -11.219  -3.609   4.668
  508   HD22  ASN1953          HD22      ASN1953  -9.896  -3.328   5.723
  509    H    ALA1954           HN       ALA1954 -10.293  -0.702   1.704
  510    HA   ALA1954           HA       ALA1954 -10.742  -3.293   0.482
  511    HB1  ALA1954           HB1      ALA1954 -10.114  -1.382  -0.924
  512    HB2  ALA1954           HB2      ALA1954  -8.895  -2.650  -1.007
  513    HB3  ALA1954           HB3      ALA1954  -8.606  -1.215  -0.025
  514    H    GLY1955           HN       GLY1955  -8.769  -1.771   2.828
  515    HA2  GLY1955           HA2      GLY1955  -7.888  -4.248   3.841
  516    HA3  GLY1955           HA1      GLY1955  -6.586  -3.378   3.034
  517    H    LYS1956           HN       LYS1956  -7.476  -3.990   5.933
  518    HA   LYS1956           HA       LYS1956  -7.481  -1.257   6.934
  519    HB2  LYS1956           HB2      LYS1956  -7.828  -2.243   9.134
  520    HB3  LYS1956           HB1      LYS1956  -8.962  -2.958   8.003
  521    HG2  LYS1956           HG2      LYS1956  -7.360  -4.893   7.805
  522    HG3  LYS1956           HG1      LYS1956  -6.476  -4.183   9.156
  523    HD2  LYS1956           HD2      LYS1956  -9.370  -5.040   9.185
  524    HD3  LYS1956           HD1      LYS1956  -8.030  -5.923   9.904
  525    HE2  LYS1956           HE2      LYS1956  -7.638  -4.059  11.447
  526    HE3  LYS1956           HE1      LYS1956  -8.961  -3.162  10.704
  527    HZ1  LYS1956           HZ1      LYS1956  -9.208  -5.776  12.077
  528    HZ2  LYS1956           HZ2      LYS1956 -10.479  -4.934  11.389
  529    HZ3  LYS1956           HZ3      LYS1956  -9.679  -4.292  12.740
  530    H    LEU1957           HN       LEU1957  -5.865  -1.087   8.971
  531    HA   LEU1957           HA       LEU1957  -3.335  -1.081   7.818
  532    HB2  LEU1957           HB2      LEU1957  -3.820   0.548   9.463
  533    HB3  LEU1957           HB1      LEU1957  -4.248  -0.626  10.664
  534    HG   LEU1957           HG       LEU1957  -2.083   0.681  11.012
  535   HD11  LEU1957          HD11      LEU1957  -1.812  -2.311  10.989
  536   HD12  LEU1957          HD12      LEU1957  -2.467  -1.325  12.295
  537   HD13  LEU1957          HD13      LEU1957  -0.765  -1.183  11.852
  538   HD21  LEU1957          HD21      LEU1957  -0.078  -0.142   9.867
  539   HD22  LEU1957          HD22      LEU1957  -1.197   0.673   8.770
  540   HD23  LEU1957          HD23      LEU1957  -1.093  -1.089   8.777
  541    H    SER1958           HN       SER1958  -2.463  -2.742   7.144
  542    HA   SER1958           HA       SER1958  -1.851  -4.923   8.972
  543    HB2  SER1958           HB2      SER1958  -2.166  -5.101   5.963
  544    HB3  SER1958           HB1      SER1958  -2.038  -6.430   7.115
  545    HG   SER1958           HG       SER1958  -4.133  -4.550   7.207
  546    H    LYS1959           HN       LYS1959   0.249  -4.533   9.443
  547    HA   LYS1959           HA       LYS1959   1.929  -3.649   7.232
  548    HB2  LYS1959           HB2      LYS1959   3.429  -2.535   8.992
  549    HB3  LYS1959           HB1      LYS1959   1.903  -1.744   8.642
  550    HG2  LYS1959           HG2      LYS1959   0.942  -2.678  10.668
  551    HG3  LYS1959           HG1      LYS1959   2.468  -3.494  11.022
  552    HD2  LYS1959           HD2      LYS1959   3.603  -1.395  11.291
  553    HD3  LYS1959           HD1      LYS1959   2.217  -0.515  10.660
  554    HE2  LYS1959           HE2      LYS1959   2.356  -0.325  13.086
  555    HE3  LYS1959           HE1      LYS1959   0.891  -1.139  12.556
  556    HZ1  LYS1959           HZ1      LYS1959   3.291  -2.437  13.825
  557    HZ2  LYS1959           HZ2      LYS1959   2.007  -3.285  13.098
  558    HZ3  LYS1959           HZ3      LYS1959   1.709  -2.340  14.395
  559    H    THR1960           HN       THR1960   2.355  -5.671   6.624
  560    HA   THR1960           HA       THR1960   4.415  -7.026   8.201
  561    HB   THR1960           HB       THR1960   2.321  -8.449   6.527
  562    HG1  THR1960           HG1      THR1960   2.405  -8.313   9.371
  563   HG21  THR1960          HG21      THR1960   4.284  -9.451   8.603
  564   HG22  THR1960          HG22      THR1960   4.434  -9.660   6.859
  565   HG23  THR1960          HG23      THR1960   3.114 -10.443   7.731
  566    H    LEU1961           HN       LEU1961   6.057  -6.251   6.905
  567    HA   LEU1961           HA       LEU1961   5.856  -6.260   4.021
  568    HB2  LEU1961           HB2      LEU1961   8.185  -5.718   5.855
  569    HB3  LEU1961           HB1      LEU1961   8.262  -5.568   4.120
  570    HG   LEU1961           HG       LEU1961   6.667  -3.873   6.025
  571   HD11  LEU1961          HD11      LEU1961   8.975  -3.274   4.178
  572   HD12  LEU1961          HD12      LEU1961   9.055  -3.390   5.935
  573   HD13  LEU1961          HD13      LEU1961   8.129  -2.094   5.176
  574   HD21  LEU1961          HD21      LEU1961   6.782  -3.765   3.010
  575   HD22  LEU1961          HD22      LEU1961   5.983  -2.589   4.054
  576   HD23  LEU1961          HD23      LEU1961   5.387  -4.248   3.974
  577    H    THR1962           HN       THR1962   6.207  -8.027   2.842
  578    HA   THR1962           HA       THR1962   8.048 -10.027   3.959
  579    HB   THR1962           HB       THR1962   6.777 -11.810   2.980
  580    HG1  THR1962           HG1      THR1962   6.268 -10.006   1.108
  581   HG21  THR1962          HG21      THR1962   4.540 -11.549   3.754
  582   HG22  THR1962          HG22      THR1962   4.676  -9.815   3.531
  583   HG23  THR1962          HG23      THR1962   5.578 -10.588   4.856
  584    H    TYR1963           HN       TYR1963   9.890 -10.127   2.844
  585    HA   TYR1963           HA       TYR1963   9.838  -9.058   0.145
  586    HB2  TYR1963           HB2      TYR1963  12.321  -9.141   0.157
  587    HB3  TYR1963           HB1      TYR1963  11.706  -8.237   1.526
  588    HD1  TYR1963           HD2      TYR1963  11.816  -9.264   3.796
  589    HD2  TYR1963           HD1      TYR1963  13.653 -11.086   0.437
  590    HE1  TYR1963           HE2      TYR1963  13.187 -10.626   5.297
  591    HE2  TYR1963           HE1      TYR1963  15.027 -12.466   1.930
  592    HH   TYR1963           HH       TYR1963  15.880 -12.332   4.243
  593    H    GLU1964           HN       GLU1964   9.341 -10.298  -1.452
  594    HA   GLU1964           HA       GLU1964  10.555 -12.882  -1.742
  595    HB2  GLU1964           HB2      GLU1964   8.418 -13.278  -0.417
  596    HB3  GLU1964           HB1      GLU1964   7.534 -12.616  -1.786
  597    HG2  GLU1964           HG2      GLU1964   7.538 -15.070  -1.763
  598    HG3  GLU1964           HG1      GLU1964   8.313 -14.409  -3.204
  599    H    ASP1965           HN       ASP1965  10.531 -13.488  -3.930
  600    HA   ASP1965           HA       ASP1965  10.753 -13.070  -6.164
  601    HB2  ASP1965           HB2      ASP1965   8.334 -11.259  -5.750
  602    HB3  ASP1965           HB1      ASP1965   9.018 -11.629  -7.321
  603    H    GLN1966           HN       GLN1966  12.118 -11.505  -4.125
  604    HA   GLN1966           HA       GLN1966  13.133  -9.664  -3.554
  605    HB2  GLN1966           HB2      GLN1966  13.544  -9.503  -6.518
  606    HB3  GLN1966           HB1      GLN1966  14.538  -8.719  -5.286
  607    HG2  GLN1966           HG2      GLN1966  14.101 -11.663  -5.590
  608    HG3  GLN1966           HG1      GLN1966  15.543 -10.822  -6.083
  609   HE21  GLN1966          HE21      GLN1966  15.397 -13.001  -4.303
  610   HE22  GLN1966          HE22      GLN1966  15.923 -12.465  -2.737
  611    H    VAL1967           HN       VAL1967  10.233  -9.252  -4.316
  612    HA   VAL1967           HA       VAL1967  10.385  -6.347  -4.623
  613    HB   VAL1967           HB       VAL1967   9.090  -7.647  -6.391
  614   HG11  VAL1967          HG11      VAL1967   8.131  -9.371  -5.063
  615   HG12  VAL1967          HG12      VAL1967   6.856  -8.468  -5.886
  616   HG13  VAL1967          HG13      VAL1967   7.164  -8.199  -4.169
  617   HG21  VAL1967          HG21      VAL1967   8.647  -5.289  -6.092
  618   HG22  VAL1967          HG22      VAL1967   7.511  -5.639  -4.791
  619   HG23  VAL1967          HG23      VAL1967   7.140  -6.136  -6.440
  620    H    LEU1968           HN       LEU1968   8.835  -5.149  -3.182
  621    HA   LEU1968           HA       LEU1968   8.805  -6.528  -0.642
  622    HB2  LEU1968           HB2      LEU1968   9.768  -4.241  -0.847
  623    HB3  LEU1968           HB1      LEU1968   8.176  -3.646  -1.276
  624    HG   LEU1968           HG       LEU1968   7.341  -4.285   0.940
  625   HD11  LEU1968          HD11      LEU1968  10.208  -5.056   1.485
  626   HD12  LEU1968          HD12      LEU1968   8.842  -6.167   1.359
  627   HD13  LEU1968          HD13      LEU1968   8.910  -4.999   2.678
  628   HD21  LEU1968          HD21      LEU1968   9.839  -2.600   1.000
  629   HD22  LEU1968          HD22      LEU1968   8.564  -2.594   2.218
  630   HD23  LEU1968          HD23      LEU1968   8.220  -2.038   0.577
  631    H    LYS1969           HN       LYS1969   7.097  -7.677  -0.247
  632    HA   LYS1969           HA       LYS1969   4.535  -6.928  -1.435
  633    HB2  LYS1969           HB2      LYS1969   5.303  -9.430   0.068
  634    HB3  LYS1969           HB1      LYS1969   3.764  -9.125  -0.667
  635    HG2  LYS1969           HG2      LYS1969   4.745  -9.042  -2.897
  636    HG3  LYS1969           HG1      LYS1969   6.351  -9.285  -2.209
  637    HD2  LYS1969           HD2      LYS1969   5.700 -11.470  -1.391
  638    HD3  LYS1969           HD1      LYS1969   4.050 -11.219  -1.961
  639    HE2  LYS1969           HE2      LYS1969   6.497 -11.291  -3.727
  640    HE3  LYS1969           HE1      LYS1969   5.410 -12.651  -3.464
  641    HZ1  LYS1969           HZ1      LYS1969   4.659 -10.049  -4.755
  642    HZ2  LYS1969           HZ2      LYS1969   3.603 -11.281  -4.384
  643    HZ3  LYS1969           HZ3      LYS1969   4.819 -11.546  -5.506
  644    H    LEU1970           HN       LEU1970   2.946  -6.112  -0.315
  645    HA   LEU1970           HA       LEU1970   2.800  -6.578   2.522
  646    HB2  LEU1970           HB2      LEU1970   4.005  -4.483   2.336
  647    HB3  LEU1970           HB1      LEU1970   2.818  -3.864   1.208
  648    HG   LEU1970           HG       LEU1970   1.178  -3.630   2.955
  649   HD11  LEU1970          HD11      LEU1970   1.656  -4.264   5.256
  650   HD12  LEU1970          HD12      LEU1970   3.210  -4.936   4.755
  651   HD13  LEU1970          HD13      LEU1970   1.706  -5.671   4.194
  652   HD21  LEU1970          HD21      LEU1970   2.329  -2.088   4.442
  653   HD22  LEU1970          HD22      LEU1970   2.816  -1.857   2.767
  654   HD23  LEU1970          HD23      LEU1970   3.881  -2.709   3.888
  655    H    VAL1971           HN       VAL1971   0.852  -7.328   2.855
  656    HA   VAL1971           HA       VAL1971  -1.255  -6.582   0.972
  657    HB   VAL1971           HB       VAL1971  -2.484  -8.588   1.805
  658   HG11  VAL1971          HG11      VAL1971  -1.164  -8.733  -0.222
  659   HG12  VAL1971          HG12      VAL1971  -1.087 -10.253   0.670
  660   HG13  VAL1971          HG13      VAL1971   0.273  -9.131   0.720
  661   HG21  VAL1971          HG21      VAL1971   0.093  -9.203   3.267
  662   HG22  VAL1971          HG22      VAL1971  -1.278 -10.298   3.100
  663   HG23  VAL1971          HG23      VAL1971  -1.452  -8.807   4.019
  664    H    TYR1972           HN       TYR1972  -2.963  -5.520   1.664
  665    HA   TYR1972           HA       TYR1972  -3.230  -4.975   4.538
  666    HB2  TYR1972           HB2      TYR1972  -4.365  -3.410   2.154
  667    HB3  TYR1972           HB1      TYR1972  -4.631  -3.039   3.856
  668    HD1  TYR1972           HD2      TYR1972  -2.765  -2.238   5.232
  669    HD2  TYR1972           HD1      TYR1972  -2.371  -2.847   1.048
  670    HE1  TYR1972           HE2      TYR1972  -0.740  -0.855   5.225
  671    HE2  TYR1972           HE1      TYR1972  -0.345  -1.475   1.033
  672    HH   TYR1972           HH       TYR1972   1.286  -0.741   3.771
  673    H    GLU1973           HN       GLU1973  -4.653  -6.279   5.455
  674    HA   GLU1973           HA       GLU1973  -6.585  -7.399   3.637
  675    HB2  GLU1973           HB2      GLU1973  -6.539  -9.413   5.319
  676    HB3  GLU1973           HB1      GLU1973  -5.373  -9.222   4.026
  677    HG2  GLU1973           HG2      GLU1973  -3.844  -8.189   5.697
  678    HG3  GLU1973           HG1      GLU1973  -5.006  -8.658   6.943
  679    H    ASP1974           HN       ASP1974  -8.190  -8.817   5.037
  680    HA   ASP1974           HA       ASP1974 -10.206  -8.827   5.843
  681    HB2  ASP1974           HB2      ASP1974  -9.180  -8.194   8.051
  682    HB3  ASP1974           HB1      ASP1974  -9.439  -6.501   7.654
  683    H    GLY1975           HN       GLY1975 -10.318  -8.117   3.583
  684    HA2  GLY1975           HA2      GLY1975 -11.182  -5.519   2.953
  685    HA3  GLY1975           HA1      GLY1975 -11.509  -6.977   2.010
  686    H    ASP1976           HN       ASP1976 -13.139  -4.610   2.996
  687    HA   ASP1976           HA       ASP1976 -14.932  -5.322   4.996
  688    HB2  ASP1976           HB2      ASP1976 -14.771  -3.048   4.073
  689    HB3  ASP1976           HB1      ASP1976 -15.491  -3.607   2.567
  690    HA   PRO1977           HA       PRO1977 -17.166  -8.794   3.464
  691    HB2  PRO1977           HB2      PRO1977 -19.370  -7.571   5.048
  692    HB3  PRO1977           HB1      PRO1977 -18.752  -9.226   5.069
  693    HG2  PRO1977           HG2      PRO1977 -18.137  -7.523   7.019
  694    HG3  PRO1977           HG1      PRO1977 -16.943  -8.678   6.404
  695    HD2  PRO1977           HD2      PRO1977 -17.168  -5.751   5.936
  696    HD3  PRO1977           HD1      PRO1977 -15.722  -6.769   6.063
  697    H    CYS1978           HN       CYS1978 -17.563  -8.543   1.414
  698    HA   CYS1978           HA       CYS1978 -19.819  -6.907   0.537
  699    HB2  CYS1978           HB2      CYS1978 -18.590  -7.008  -1.681
  700    HB3  CYS1978           HB1      CYS1978 -17.752  -6.101  -0.426
  701    HA   PRO1979           HA       PRO1979 -21.906 -10.690  -0.415
  702    HB2  PRO1979           HB2      PRO1979 -22.857 -10.249  -2.973
  703    HB3  PRO1979           HB1      PRO1979 -23.607  -9.633  -1.498
  704    HG2  PRO1979           HG2      PRO1979 -21.761  -8.249  -3.402
  705    HG3  PRO1979           HG1      PRO1979 -23.219  -7.631  -2.601
  706    HD2  PRO1979           HD2      PRO1979 -20.782  -6.987  -1.718
  707    HD3  PRO1979           HD1      PRO1979 -22.121  -7.287  -0.587
  708    H    THR1980           HN       THR1980 -19.368  -9.629  -2.581
  709    HA   THR1980           HA       THR1980 -19.233 -11.947  -4.118
  710    HB   THR1980           HB       THR1980 -17.173 -10.450  -4.673
  711    HG1  THR1980           HG1      THR1980 -17.164  -8.856  -3.267
  712   HG21  THR1980          HG21      THR1980 -19.116 -10.855  -6.152
  713   HG22  THR1980          HG22      THR1980 -18.618  -9.164  -6.197
  714   HG23  THR1980          HG23      THR1980 -20.033  -9.640  -5.257
  715    H    ASP1981           HN       ASP1981 -18.002 -10.837  -1.032
  716    HA   ASP1981           HA       ASP1981 -16.106 -13.001  -0.875
  717    HB2  ASP1981           HB2      ASP1981 -14.864 -11.250  -1.964
  718    HB3  ASP1981           HB1      ASP1981 -15.213 -10.098  -0.675
  719    H    LEU1982           HN       LEU1982 -17.992 -13.357   0.450
  720    HA   LEU1982           HA       LEU1982 -18.105 -12.048   3.084
  721    HB2  LEU1982           HB2      LEU1982 -19.770 -14.220   1.835
  722    HB3  LEU1982           HB1      LEU1982 -20.069 -13.463   3.382
  723    HG   LEU1982           HG       LEU1982 -20.068 -11.855   0.857
  724   HD11  LEU1982          HD11      LEU1982 -22.457 -12.297   0.693
  725   HD12  LEU1982          HD12      LEU1982 -22.348 -13.374   2.095
  726   HD13  LEU1982          HD13      LEU1982 -21.528 -13.803   0.598
  727   HD21  LEU1982          HD21      LEU1982 -20.019 -10.690   3.011
  728   HD22  LEU1982          HD22      LEU1982 -21.437 -11.600   3.531
  729   HD23  LEU1982          HD23      LEU1982 -21.569 -10.452   2.195
  730    H    LYS1983           HN       LYS1983 -17.915 -15.171   1.557
  731    HA   LYS1983           HA       LYS1983 -17.265 -16.569   4.064
  732    HB2  LYS1983           HB2      LYS1983 -18.161 -17.472   1.348
  733    HB3  LYS1983           HB1      LYS1983 -17.743 -18.609   2.645
  734    HG2  LYS1983           HG2      LYS1983 -19.578 -17.558   3.969
  735    HG3  LYS1983           HG1      LYS1983 -19.980 -16.594   2.548
  736    HD2  LYS1983           HD2      LYS1983 -21.419 -18.567   2.694
  737    HD3  LYS1983           HD1      LYS1983 -20.382 -18.646   1.270
  738    HE2  LYS1983           HE2      LYS1983 -18.879 -20.172   2.388
  739    HE3  LYS1983           HE1      LYS1983 -19.789 -20.013   3.889
  740    HZ1  LYS1983           HZ1      LYS1983 -20.271 -22.048   2.692
  741    HZ2  LYS1983           HZ2      LYS1983 -20.907 -21.153   1.375
  742    HZ3  LYS1983           HZ3      LYS1983 -21.639 -21.088   2.888
  743    H    MET1984           HN       MET1984 -15.524 -14.939   2.192
  744    HA   MET1984           HA       MET1984 -13.234 -16.523   2.190
  745    HB2  MET1984           HB2      MET1984 -12.865 -15.967  -0.257
  746    HB3  MET1984           HB1      MET1984 -14.143 -17.143  -0.008
  747    HG2  MET1984           HG2      MET1984 -15.748 -15.146  -0.157
  748    HG3  MET1984           HG1      MET1984 -14.371 -14.258  -0.798
  749    HE1  MET1984           HE1      MET1984 -13.607 -16.286  -4.097
  750    HE2  MET1984           HE2      MET1984 -12.878 -16.526  -2.507
  751    HE3  MET1984           HE3      MET1984 -13.164 -14.893  -3.111
  752    H    LYS1985           HN       LYS1985 -11.617 -14.992   2.302
  753    HA   LYS1985           HA       LYS1985 -12.569 -12.219   2.332
  754    HB2  LYS1985           HB2      LYS1985 -12.320 -13.221   4.666
  755    HB3  LYS1985           HB1      LYS1985 -10.585 -13.188   4.368
  756    HG2  LYS1985           HG2      LYS1985 -10.699 -11.141   5.285
  757    HG3  LYS1985           HG1      LYS1985 -11.254 -10.656   3.685
  758    HD2  LYS1985           HD2      LYS1985 -12.972 -11.326   6.084
  759    HD3  LYS1985           HD1      LYS1985 -12.719  -9.733   5.388
  760    HE2  LYS1985           HE2      LYS1985 -14.074 -12.030   3.955
  761    HE3  LYS1985           HE1      LYS1985 -14.931 -10.791   4.863
  762    HZ1  LYS1985           HZ1      LYS1985 -14.992 -10.246   2.580
  763    HZ2  LYS1985           HZ2      LYS1985 -13.421 -10.484   2.313
  764    HZ3  LYS1985           HZ3      LYS1985 -13.914  -9.137   3.262
  765    H    HIS1986           HN       HIS1986 -11.565 -11.183   0.885
  766    HA   HIS1986           HA       HIS1986  -8.797 -11.871   0.379
  767    HB2  HIS1986           HB2      HIS1986 -10.846 -10.501  -1.287
  768    HB3  HIS1986           HB1      HIS1986  -9.127 -10.315  -1.648
  769    HD1  HIS1986           HD1      HIS1986 -11.802 -12.934  -1.427
  770    HD2  HIS1986           HD2      HIS1986  -7.913 -12.468  -2.765
  771    HE1  HIS1986           HE1      HIS1986 -11.233 -15.059  -2.657
  772    HE2  HIS1986           HE2      HIS1986  -8.768 -14.837  -3.119
  773    H    LYS1987           HN       LYS1987  -7.695  -9.680  -0.666
  774    HA   LYS1987           HA       LYS1987  -7.827  -7.665   1.343
  775    HB2  LYS1987           HB2      LYS1987  -5.475  -7.893   1.989
  776    HB3  LYS1987           HB1      LYS1987  -6.412  -9.288   2.460
  777    HG2  LYS1987           HG2      LYS1987  -4.609  -9.230   0.030
  778    HG3  LYS1987           HG1      LYS1987  -4.072  -9.735   1.628
  779    HD2  LYS1987           HD2      LYS1987  -6.271 -11.036   0.001
  780    HD3  LYS1987           HD1      LYS1987  -4.628 -11.647   0.175
  781    HE2  LYS1987           HE2      LYS1987  -6.587 -11.275   2.451
  782    HE3  LYS1987           HE1      LYS1987  -6.299 -12.799   1.626
  783    HZ1  LYS1987           HZ1      LYS1987  -5.062 -12.795   3.612
  784    HZ2  LYS1987           HZ2      LYS1987  -4.389 -11.311   3.404
  785    HZ3  LYS1987           HZ3      LYS1987  -3.902 -12.599   2.417
  786    H    SER1988           HN       SER1988  -5.958  -6.140   0.883
  787    HA   SER1988           HA       SER1988  -5.919  -5.622  -1.965
  788    HB2  SER1988           HB2      SER1988  -6.700  -3.852  -0.438
  789    HB3  SER1988           HB1      SER1988  -5.170  -3.955   0.443
  790    HG   SER1988           HG       SER1988  -4.156  -2.972  -1.190
  791    H    TYR1989           HN       TYR1989  -4.168  -6.229  -3.024
  792    HA   TYR1989           HA       TYR1989  -1.829  -7.146  -1.551
  793    HB2  TYR1989           HB2      TYR1989  -3.199  -8.465  -3.331
  794    HB3  TYR1989           HB1      TYR1989  -2.419  -7.371  -4.460
  795    HD1  TYR1989           HD1      TYR1989  -0.143  -7.584  -5.015
  796    HD2  TYR1989           HD2      TYR1989  -1.888 -10.202  -2.175
  797    HE1  TYR1989           HE1      TYR1989   1.863  -9.021  -5.130
  798    HE2  TYR1989           HE2      TYR1989   0.101 -11.660  -2.275
  799    HH   TYR1989           HH       TYR1989   2.991 -10.623  -3.631
  800    H    PHE1990           HN       PHE1990  -0.301  -5.571  -1.334
  801    HA   PHE1990           HA       PHE1990  -0.140  -3.545  -3.423
  802    HB2  PHE1990           HB2      PHE1990  -0.630  -3.175  -0.816
  803    HB3  PHE1990           HB1      PHE1990   1.124  -3.210  -0.759
  804    HD1  PHE1990           HD2      PHE1990   1.973  -1.799  -3.098
  805    HD2  PHE1990           HD1      PHE1990  -1.371  -1.083  -0.588
  806    HE1  PHE1990           HE2      PHE1990   1.969   0.556  -3.768
  807    HE2  PHE1990           HE1      PHE1990  -1.386   1.262  -1.249
  808    HZ   PHE1990           HZ       PHE1990   0.288   2.092  -2.845
  809    H    SER1991           HN       SER1991   1.514  -3.983  -4.741
  810    HA   SER1991           HA       SER1991   3.867  -5.320  -3.711
  811    HB2  SER1991           HB2      SER1991   3.098  -4.547  -6.535
  812    HB3  SER1991           HB1      SER1991   4.477  -5.541  -6.065
  813    HG   SER1991           HG       SER1991   2.190  -6.432  -6.707
  814    H    PHE1992           HN       PHE1992   5.264  -3.937  -2.802
  815    HA   PHE1992           HA       PHE1992   5.560  -1.293  -3.922
  816    HB2  PHE1992           HB2      PHE1992   6.778  -2.617  -1.485
  817    HB3  PHE1992           HB1      PHE1992   7.242  -1.015  -2.039
  818    HD1  PHE1992           HD1      PHE1992   4.606  -3.023  -0.506
  819    HD2  PHE1992           HD2      PHE1992   5.748   0.870  -1.779
  820    HE1  PHE1992           HE1      PHE1992   2.745  -2.062   0.779
  821    HE2  PHE1992           HE2      PHE1992   3.893   1.835  -0.493
  822    HZ   PHE1992           HZ       PHE1992   2.391   0.416   0.762
  823    H    VAL1993           HN       VAL1993   6.748  -1.076  -5.578
  824    HA   VAL1993           HA       VAL1993   9.032  -2.840  -5.925
  825    HB   VAL1993           HB       VAL1993   7.336  -3.590  -7.448
  826   HG11  VAL1993          HG11      VAL1993   7.058  -0.745  -8.362
  827   HG12  VAL1993          HG12      VAL1993   5.871  -1.701  -7.472
  828   HG13  VAL1993          HG13      VAL1993   6.285  -2.132  -9.132
  829   HG21  VAL1993          HG21      VAL1993   9.334  -1.915  -8.975
  830   HG22  VAL1993          HG22      VAL1993   8.384  -3.238  -9.650
  831   HG23  VAL1993          HG23      VAL1993   9.580  -3.561  -8.391
  832    H    CYS1994           HN       CYS1994  10.875  -1.931  -6.474
  833    HA   CYS1994           HA       CYS1994  11.100   0.831  -5.988
  834    HB2  CYS1994           HB2      CYS1994  13.563   0.243  -6.484
  835    HB3  CYS1994           HB1      CYS1994  12.780  -0.315  -5.013
  836    H    LYS1995           HN       LYS1995  11.602   2.435  -7.225
  837    HA   LYS1995           HA       LYS1995  12.512   1.946  -9.917
  838    HB2  LYS1995           HB2      LYS1995  10.059   2.421 -10.055
  839    HB3  LYS1995           HB1      LYS1995  10.338   3.937  -9.206
  840    HG2  LYS1995           HG2      LYS1995  11.740   4.711 -11.049
  841    HG3  LYS1995           HG1      LYS1995  11.474   3.190 -11.894
  842    HD2  LYS1995           HD2      LYS1995   9.084   3.662 -12.010
  843    HD3  LYS1995           HD1      LYS1995   9.332   5.162 -11.115
  844    HE2  LYS1995           HE2      LYS1995   9.147   5.639 -13.477
  845    HE3  LYS1995           HE1      LYS1995  10.782   5.980 -12.918
  846    HZ1  LYS1995           HZ1      LYS1995   9.908   3.570 -14.421
  847    HZ2  LYS1995           HZ2      LYS1995  11.507   3.847 -13.927
  848    HZ3  LYS1995           HZ3      LYS1995  10.781   4.866 -15.041
  849    H    SER1996           HN       SER1996  14.420   2.841  -9.869
  850    HA   SER1996           HA       SER1996  15.236   4.618  -7.840
  851    HB2  SER1996           HB2      SER1996  16.594   3.873 -10.444
  852    HB3  SER1996           HB1      SER1996  17.369   4.731  -9.106
  853    HG   SER1996           HG       SER1996  16.532   2.034  -9.261
  854    H    ASP1997           HN       ASP1997  13.988   5.109 -11.041
  855    HA   ASP1997           HA       ASP1997  14.644   7.871 -11.283
  856    HB2  ASP1997           HB2      ASP1997  14.119   6.572 -13.252
  857    HB3  ASP1997           HB1      ASP1997  12.517   6.203 -12.632
  858    H    ALA1998           HN       ALA1998  12.381   6.295  -9.340
  859    HA   ALA1998           HA       ALA1998  10.772   8.736  -9.007
  860    HB1  ALA1998           HB1      ALA1998   9.470   6.789  -9.759
  861    HB2  ALA1998           HB2      ALA1998   9.029   7.247  -8.113
  862    HB3  ALA1998           HB3      ALA1998  10.076   5.856  -8.388
  863    H    GLY1999           HN       GLY1999  13.311   8.453  -7.910
  864    HA2  GLY1999           HA2      GLY1999  13.439   7.258  -5.368
  865    HA3  GLY1999           HA1      GLY1999  14.550   8.456  -5.998
  866    H    ASP2000           HN       ASP2000  12.304  10.405  -6.316
  867    HA   ASP2000           HA       ASP2000  11.983  11.083  -3.446
  868    HB2  ASP2000           HB2      ASP2000  13.433  12.660  -4.714
  869    HB3  ASP2000           HB1      ASP2000  12.083  12.989  -5.795
  870    H    ASP2001           HN       ASP2001  10.554  11.013  -6.598
  871    HA   ASP2001           HA       ASP2001   8.021  12.103  -5.974
  872    HB2  ASP2001           HB2      ASP2001   8.770  10.157  -8.174
  873    HB3  ASP2001           HB1      ASP2001   7.212  10.955  -8.044
  874    H    SER2002           HN       SER2002   8.828   8.733  -6.648
  875    HA   SER2002           HA       SER2002   7.889   6.793  -6.128
  876    HB2  SER2002           HB2      SER2002   7.456   8.196  -3.477
  877    HB3  SER2002           HB1      SER2002   7.289   6.454  -3.722
  878    HG   SER2002           HG       SER2002   9.660   7.531  -4.656
  879    H    GLN2003           HN       GLN2003   6.256   6.496  -7.469
  880    HA   GLN2003           HA       GLN2003   3.654   7.713  -6.843
  881    HB2  GLN2003           HB2      GLN2003   3.112   7.356  -9.223
  882    HB3  GLN2003           HB1      GLN2003   4.437   8.484  -8.956
  883    HG2  GLN2003           HG2      GLN2003   6.069   6.756  -9.519
  884    HG3  GLN2003           HG1      GLN2003   4.776   5.585  -9.733
  885   HE21  GLN2003          HE21      GLN2003   3.060   7.548 -11.099
  886   HE22  GLN2003          HE22      GLN2003   3.716   7.707 -12.678
  887    HA   PRO2004           HA       PRO2004   2.083   3.563  -6.365
  888    HB2  PRO2004           HB2      PRO2004  -0.535   4.638  -5.937
  889    HB3  PRO2004           HB1      PRO2004   0.604   4.059  -4.719
  890    HG2  PRO2004           HG2      PRO2004  -0.175   6.704  -4.996
  891    HG3  PRO2004           HG1      PRO2004   1.309   6.150  -4.217
  892    HD2  PRO2004           HD2      PRO2004   0.931   7.212  -6.988
  893    HD3  PRO2004           HD1      PRO2004   2.255   7.497  -5.835
  894    H    VAL2005           HN       VAL2005   2.005   2.629  -8.359
  895    HA   VAL2005           HA       VAL2005   0.087   3.564 -10.324
  896    HB   VAL2005           HB       VAL2005   2.080   1.271 -10.435
  897   HG11  VAL2005          HG11      VAL2005   0.246   0.945 -11.982
  898   HG12  VAL2005          HG12      VAL2005   1.725   1.325 -12.865
  899   HG13  VAL2005          HG13      VAL2005   0.485   2.562 -12.643
  900   HG21  VAL2005          HG21      VAL2005   2.314   4.058 -11.571
  901   HG22  VAL2005          HG22      VAL2005   3.460   2.745 -11.853
  902   HG23  VAL2005          HG23      VAL2005   3.243   3.397 -10.227
  903    H    PHE2006           HN       PHE2006  -1.916   2.879  -9.874
  904    HA   PHE2006           HA       PHE2006  -2.220   0.343  -8.514
  905    HB2  PHE2006           HB2      PHE2006  -4.537   0.866  -8.182
  906    HB3  PHE2006           HB1      PHE2006  -3.642   2.321  -7.820
  907    HD1  PHE2006           HD2      PHE2006  -3.583   4.127  -9.672
  908    HD2  PHE2006           HD1      PHE2006  -6.293   0.847  -9.660
  909    HE1  PHE2006           HE2      PHE2006  -5.059   5.336 -11.212
  910    HE2  PHE2006           HE1      PHE2006  -7.774   2.052 -11.199
  911    HZ   PHE2006           HZ       PHE2006  -7.157   4.300 -11.978
  912    H    LEU2007           HN       LEU2007  -2.978  -1.481  -9.410
  913    HA   LEU2007           HA       LEU2007  -2.957  -1.506 -12.283
  914    HB2  LEU2007           HB2      LEU2007  -3.300  -3.742 -10.260
  915    HB3  LEU2007           HB1      LEU2007  -3.357  -3.992 -11.989
  916    HG   LEU2007           HG       LEU2007  -0.970  -3.183 -12.103
  917   HD11  LEU2007          HD11      LEU2007  -1.075  -3.448  -9.109
  918   HD12  LEU2007          HD12      LEU2007  -0.891  -1.947 -10.008
  919   HD13  LEU2007          HD13      LEU2007   0.373  -3.168 -10.074
  920   HD21  LEU2007          HD21      LEU2007  -0.014  -5.255 -11.260
  921   HD22  LEU2007          HD22      LEU2007  -1.508  -5.539 -12.172
  922   HD23  LEU2007          HD23      LEU2007  -1.519  -5.606 -10.406
  923    H    SER2008           HN       SER2008  -5.189  -2.907  -9.897
  924    HA   SER2008           HA       SER2008  -7.403  -1.522 -10.907
  925    HB2  SER2008           HB2      SER2008  -8.512  -3.764 -11.692
  926    HB3  SER2008           HB1      SER2008  -7.440  -2.895 -12.794
  927    HG   SER2008           HG       SER2008  -7.113  -5.402 -11.678
  928    H    PHE2009           HN       PHE2009  -9.125  -1.689  -9.528
  929    HA   PHE2009           HA       PHE2009  -8.756  -3.401  -7.222
  930    HB2  PHE2009           HB2      PHE2009  -9.347  -1.012  -6.846
  931    HB3  PHE2009           HB1      PHE2009 -10.821  -1.237  -7.780
  932    HD1  PHE2009           HD1      PHE2009  -9.071  -2.609  -4.788
  933    HD2  PHE2009           HD2      PHE2009 -12.753  -1.733  -6.680
  934    HE1  PHE2009           HE1      PHE2009 -10.276  -3.245  -2.738
  935    HE2  PHE2009           HE2      PHE2009 -13.965  -2.362  -4.661
  936    HZ   PHE2009           HZ       PHE2009 -12.663  -3.223  -2.662
  937    H    ASP2010           HN       ASP2010  -9.679  -5.283  -7.209
  938    HA   ASP2010           HA       ASP2010 -11.611  -6.027  -9.259
  939    HB2  ASP2010           HB2      ASP2010  -9.636  -7.482  -8.775
  940    HB3  ASP2010           HB1      ASP2010 -10.223  -7.702  -7.134
  941    H    GLU2011           HN       GLU2011 -13.631  -5.660  -8.755
  942    HA   GLU2011           HA       GLU2011 -14.436  -5.525  -5.950
  943    HB2  GLU2011           HB2      GLU2011 -15.970  -4.765  -8.441
  944    HB3  GLU2011           HB1      GLU2011 -16.504  -4.506  -6.786
  945    HG2  GLU2011           HG2      GLU2011 -14.632  -3.032  -6.387
  946    HG3  GLU2011           HG1      GLU2011 -14.042  -3.333  -8.017
  947    H    GLN2012           HN       GLN2012 -14.294  -7.723  -8.372
  948    HA   GLN2012           HA       GLN2012 -16.798  -9.056  -7.962
  949    HB2  GLN2012           HB2      GLN2012 -15.566  -9.119 -10.108
  950    HB3  GLN2012           HB1      GLN2012 -14.294 -10.041  -9.323
  951    HG2  GLN2012           HG2      GLN2012 -15.929 -11.815  -8.836
  952    HG3  GLN2012           HG1      GLN2012 -17.144 -10.896  -9.722
  953   HE21  GLN2012          HE21      GLN2012 -17.443 -12.439 -11.256
  954   HE22  GLN2012          HE22      GLN2012 -16.235 -12.865 -12.428
  955    H    THR2013           HN       THR2013 -13.483  -9.498  -6.853
  956    HA   THR2013           HA       THR2013 -14.621 -11.301  -4.842
  957    HB   THR2013           HB       THR2013 -13.207 -12.573  -6.444
  958    HG1  THR2013           HG1      THR2013 -12.615 -12.326  -3.753
  959   HG21  THR2013          HG21      THR2013 -10.766 -12.268  -6.459
  960   HG22  THR2013          HG22      THR2013 -10.932 -10.872  -5.393
  961   HG23  THR2013          HG23      THR2013 -11.591 -10.816  -7.028
  962    H    CYS2014           HN       CYS2014 -13.803  -8.325  -5.100
  963    HA   CYS2014           HA       CYS2014 -13.032  -6.683  -3.840
  964    HB2  CYS2014           HB2      CYS2014 -13.772  -8.588  -1.609
  965    HB3  CYS2014           HB1      CYS2014 -13.419  -6.875  -1.373
  966    H    THR2015           HN       THR2015 -11.016  -7.124  -4.845
  967    HA   THR2015           HA       THR2015  -8.841  -7.461  -2.875
  968    HB   THR2015           HB       THR2015  -8.887  -8.610  -5.691
  969    HG1  THR2015           HG1      THR2015 -10.080  -9.574  -3.650
  970   HG21  THR2015          HG21      THR2015  -6.648  -8.002  -4.893
  971   HG22  THR2015          HG22      THR2015  -6.817  -9.754  -4.999
  972   HG23  THR2015          HG23      THR2015  -6.905  -8.952  -3.429
  973    H    SER2016           HN       SER2016  -7.088  -6.083  -3.413
  974    HA   SER2016           HA       SER2016  -7.572  -4.435  -5.768
  975    HB2  SER2016           HB2      SER2016  -8.009  -3.266  -3.549
  976    HB3  SER2016           HB1      SER2016  -6.281  -3.436  -3.231
  977    HG   SER2016           HG       SER2016  -6.751  -1.456  -4.189
  978    H    TYR2017           HN       TYR2017  -5.688  -3.836  -6.881
  979    HA   TYR2017           HA       TYR2017  -3.276  -5.302  -6.068
  980    HB2  TYR2017           HB2      TYR2017  -4.296  -4.939  -8.903
  981    HB3  TYR2017           HB1      TYR2017  -2.826  -5.778  -8.432
  982    HD1  TYR2017           HD2      TYR2017  -2.967  -7.966  -7.288
  983    HD2  TYR2017           HD1      TYR2017  -6.448  -6.015  -8.764
  984    HE1  TYR2017           HE2      TYR2017  -4.207 -10.074  -7.117
  985    HE2  TYR2017           HE1      TYR2017  -7.703  -8.130  -8.597
  986    HH   TYR2017           HH       TYR2017  -7.264 -10.543  -8.534
  987    H    PHE2018           HN       PHE2018  -1.770  -3.853  -5.603
  988    HA   PHE2018           HA       PHE2018  -1.645  -1.386  -7.221
  989    HB2  PHE2018           HB2      PHE2018  -0.995  -1.683  -4.297
  990    HB3  PHE2018           HB1      PHE2018  -0.732  -0.241  -5.257
  991    HD1  PHE2018           HD2      PHE2018  -2.971   0.492  -6.545
  992    HD2  PHE2018           HD1      PHE2018  -2.755  -1.682  -2.919
  993    HE1  PHE2018           HE2      PHE2018  -5.196   1.294  -5.948
  994    HE2  PHE2018           HE1      PHE2018  -4.980  -0.887  -2.299
  995    HZ   PHE2018           HZ       PHE2018  -6.212   0.615  -3.809
  996    H    SER2019           HN       SER2019   0.394  -0.631  -7.739
  997    HA   SER2019           HA       SER2019   2.666  -2.097  -6.704
  998    HB2  SER2019           HB2      SER2019   3.664  -2.153  -9.032
  999    HB3  SER2019           HB1      SER2019   2.171  -3.053  -8.915
 1000    HG   SER2019           HG       SER2019   1.542  -0.566  -9.580
 1001    H    TRP2020           HN       TRP2020   3.688  -0.567  -5.562
 1002    HA   TRP2020           HA       TRP2020   3.453   2.232  -6.462
 1003    HB2  TRP2020           HB2      TRP2020   2.824   1.563  -4.082
 1004    HB3  TRP2020           HB1      TRP2020   4.534   1.258  -3.795
 1005    HD1  TRP2020           HD1      TRP2020   5.812   3.880  -5.006
 1006    HE1  TRP2020           HE1      TRP2020   5.318   6.192  -3.940
 1007    HE3  TRP2020           HE3      TRP2020   1.537   2.796  -2.449
 1008    HZ2  TRP2020           HZ2      TRP2020   3.469   7.370  -2.278
 1009    HZ3  TRP2020           HZ3      TRP2020   0.479   4.576  -1.135
 1010    HH2  TRP2020           HH2      TRP2020   1.428   6.814  -1.048
 1011    H    HIS2021           HN       HIS2021   5.087   3.019  -7.534
 1012    HA   HIS2021           HA       HIS2021   7.649   1.695  -7.468
 1013    HB2  HIS2021           HB2      HIS2021   6.407   3.681  -9.295
 1014    HB3  HIS2021           HB1      HIS2021   8.158   3.732  -9.127
 1015    HD1  HIS2021           HD1      HIS2021   6.360   2.731 -11.683
 1016    HD2  HIS2021           HD2      HIS2021   8.638   0.478  -9.039
 1017    HE1  HIS2021           HE1      HIS2021   6.914   0.618 -12.887
 1018    HE2  HIS2021           HE2      HIS2021   8.662  -0.440 -11.401
 1019    H    THR2022           HN       THR2022   8.607   2.075  -5.683
 1020    HA   THR2022           HA       THR2022   9.461   4.802  -5.180
 1021    HB   THR2022           HB       THR2022   7.568   4.501  -3.663
 1022    HG1  THR2022           HG1      THR2022   9.231   5.682  -2.811
 1023   HG21  THR2022          HG21      THR2022   9.054   2.091  -2.593
 1024   HG22  THR2022          HG22      THR2022   7.553   2.053  -3.517
 1025   HG23  THR2022          HG23      THR2022   7.577   2.770  -1.906
 1026    H    SER2023           HN       SER2023  11.525   4.928  -4.176
 1027    HA   SER2023           HA       SER2023  13.193   2.710  -4.731
 1028    HB2  SER2023           HB2      SER2023  14.797   4.478  -3.730
 1029    HB3  SER2023           HB1      SER2023  14.074   4.732  -5.330
 1030    HG   SER2023           HG       SER2023  13.824   6.251  -3.154
 1031    H    LEU2024           HN       LEU2024  11.372   3.604  -2.026
 1032    HA   LEU2024           HA       LEU2024  13.287   2.598  -0.089
 1033    HB2  LEU2024           HB2      LEU2024  10.445   3.572   0.308
 1034    HB3  LEU2024           HB1      LEU2024  11.510   3.069   1.596
 1035    HG   LEU2024           HG       LEU2024  11.558   5.378   1.702
 1036   HD11  LEU2024          HD11      LEU2024  13.947   4.620   0.079
 1037   HD12  LEU2024          HD12      LEU2024  13.754   4.502   1.831
 1038   HD13  LEU2024          HD13      LEU2024  13.781   6.082   1.052
 1039   HD21  LEU2024          HD21      LEU2024  10.420   5.909  -0.391
 1040   HD22  LEU2024          HD22      LEU2024  11.877   5.514  -1.300
 1041   HD23  LEU2024          HD23      LEU2024  11.870   6.896  -0.203
 1042    H    ALA2025           HN       ALA2025  11.272   1.280  -2.198
 1043    HA   ALA2025           HA       ALA2025  10.013  -0.783  -0.612
 1044    HB1  ALA2025           HB1      ALA2025   8.923   0.155  -2.553
 1045    HB2  ALA2025           HB2      ALA2025   9.203  -1.576  -2.774
 1046    HB3  ALA2025           HB3      ALA2025  10.248  -0.395  -3.572
 1047    H    CYS2026           HN       CYS2026  12.395  -0.743  -3.210
 1048    HA   CYS2026           HA       CYS2026  13.873  -2.831  -1.990
 1049    HB2  CYS2026           HB2      CYS2026  13.908  -4.191  -4.177
 1050    HB3  CYS2026           HB1      CYS2026  12.459  -4.315  -3.201
 1051    H    GLU2027           HN       GLU2027  15.749  -3.298  -3.910
 1052    HA   GLU2027           HA       GLU2027  16.586  -0.530  -4.370
 1053    HB2  GLU2027           HB2      GLU2027  17.970  -1.860  -2.801
 1054    HB3  GLU2027           HB1      GLU2027  18.354  -2.954  -4.118
 1055    HG2  GLU2027           HG2      GLU2027  19.394  -1.111  -5.341
 1056    HG3  GLU2027           HG1      GLU2027  19.018  -0.020  -4.008
 1057    H    GLU2028           HN       GLU2028  16.472  -3.744  -5.865
 1058    HA   GLU2028           HA       GLU2028  17.226  -2.483  -8.383
 1059    HB2  GLU2028           HB2      GLU2028  18.903  -4.049  -7.537
 1060    HB3  GLU2028           HB1      GLU2028  17.686  -5.310  -7.439
 1061    HG2  GLU2028           HG2      GLU2028  17.456  -5.328  -9.834
 1062    HG3  GLU2028           HG1      GLU2028  18.572  -3.968  -9.979
 1063    H    GLU2029           HN       GLU2029  15.769  -2.471  -9.883
 1064    HA   GLU2029           HA       GLU2029  13.451  -4.280  -9.761
 1065    HB2  GLU2029           HB2      GLU2029  12.734  -1.963  -9.572
 1066    HB3  GLU2029           HB1      GLU2029  13.741  -1.501 -10.937
 1067    HG2  GLU2029           HG2      GLU2029  12.344  -2.988 -12.384
 1068    HG3  GLU2029           HG1      GLU2029  11.283  -3.246 -11.008
 1069    H    VAL2030           HN       VAL2030  13.394  -5.720 -11.398
 1070    HA   VAL2030           HA       VAL2030  14.902  -5.062 -13.770
 1071    HB   VAL2030           HB       VAL2030  15.466  -7.192 -12.724
 1072   HG11  VAL2030          HG11      VAL2030  13.944  -9.116 -12.672
 1073   HG12  VAL2030          HG12      VAL2030  12.624  -8.049 -13.153
 1074   HG13  VAL2030          HG13      VAL2030  13.444  -7.798 -11.614
 1075   HG21  VAL2030          HG21      VAL2030  14.073  -7.557 -15.375
 1076   HG22  VAL2030          HG22      VAL2030  15.236  -8.689 -14.686
 1077   HG23  VAL2030          HG23      VAL2030  15.744  -7.055 -15.119
 1078    HA   PRO2031           HA       PRO2031  10.745  -4.256 -15.294
 1079    HB2  PRO2031           HB2      PRO2031  11.407  -2.237 -16.954
 1080    HB3  PRO2031           HB1      PRO2031  11.243  -2.005 -15.211
 1081    HG2  PRO2031           HG2      PRO2031  13.690  -2.173 -16.876
 1082    HG3  PRO2031           HG1      PRO2031  13.408  -1.280 -15.375
 1083    HD2  PRO2031           HD2      PRO2031  14.732  -3.754 -15.655
 1084    HD3  PRO2031           HD1      PRO2031  14.218  -2.999 -14.135
 1085    H    ARG2032           HN       ARG2032  13.629  -5.159 -16.881
 1086    HA   ARG2032           HA       ARG2032  12.123  -6.371 -18.992
 1087    HB2  ARG2032           HB2      ARG2032  13.695  -5.514 -20.745
 1088    HB3  ARG2032           HB1      ARG2032  12.656  -4.280 -20.057
 1089    HG2  ARG2032           HG2      ARG2032  14.503  -3.441 -18.714
 1090    HG3  ARG2032           HG1      ARG2032  15.542  -4.738 -19.312
 1091    HD2  ARG2032           HD2      ARG2032  14.294  -2.527 -20.927
 1092    HD3  ARG2032           HD1      ARG2032  16.001  -2.709 -20.520
 1093    HE   ARG2032           HE       ARG2032  15.620  -4.964 -21.778
 1094   HH11  ARG2032          HH11      ARG2032  14.662  -1.686 -22.663
 1095   HH12  ARG2032          HH12      ARG2032  14.462  -2.013 -24.322
 1096   HH21  ARG2032          HH21      ARG2032  15.332  -5.464 -24.057
 1097   HH22  ARG2032          HH22      ARG2032  14.827  -4.222 -25.138
  Start of MODEL   18
    1    H1   MET1885           HT1      MET1885   4.834  12.572   7.292
    2    H2   MET1885           HT2      MET1885   6.445  13.087   7.380
    3    H3   MET1885           HT3      MET1885   6.056  11.527   7.822
    4    HA   MET1885           HA       MET1885   5.420  11.022   5.559
    5    HB2  MET1885           HB2      MET1885   4.747  13.281   4.864
    6    HB3  MET1885           HB1      MET1885   6.410  13.834   5.005
    7    HG2  MET1885           HG2      MET1885   7.055  12.272   3.207
    8    HG3  MET1885           HG1      MET1885   5.368  11.796   3.041
    9    HE1  MET1885           HE1      MET1885   6.034  13.899  -0.213
   10    HE2  MET1885           HE2      MET1885   5.484  12.352   0.433
   11    HE3  MET1885           HE3      MET1885   7.173  12.832   0.610
   12    H    LYS1886           HN       LYS1886   8.251  13.170   6.168
   13    HA   LYS1886           HA       LYS1886   9.854  11.224   4.795
   14    HB2  LYS1886           HB2      LYS1886  10.255  13.643   4.462
   15    HB3  LYS1886           HB1      LYS1886  10.707  13.792   6.153
   16    HG2  LYS1886           HG2      LYS1886  12.639  12.408   5.822
   17    HG3  LYS1886           HG1      LYS1886  12.138  12.029   4.173
   18    HD2  LYS1886           HD2      LYS1886  13.890  13.690   4.124
   19    HD3  LYS1886           HD1      LYS1886  12.378  14.417   3.587
   20    HE2  LYS1886           HE2      LYS1886  13.549  15.947   5.044
   21    HE3  LYS1886           HE1      LYS1886  12.083  15.380   5.843
   22    HZ1  LYS1886           HZ1      LYS1886  14.741  14.171   6.301
   23    HZ2  LYS1886           HZ2      LYS1886  13.355  14.008   7.291
   24    HZ3  LYS1886           HZ3      LYS1886  14.181  15.472   7.190
   25    H    SER1887           HN       SER1887  10.468   9.504   5.737
   26    HA   SER1887           HA       SER1887  10.805   7.996   7.131
   27    HB2  SER1887           HB2      SER1887  12.800   8.314   8.614
   28    HB3  SER1887           HB1      SER1887  12.977   8.520   6.871
   29    HG   SER1887           HG       SER1887  12.773  10.547   8.843
   30    H    ASN1888           HN       ASN1888   8.895   7.753   7.956
   31    HA   ASN1888           HA       ASN1888   8.438   8.623  10.717
   32    HB2  ASN1888           HB2      ASN1888   6.597   8.683   8.949
   33    HB3  ASN1888           HB1      ASN1888   6.747   6.930   8.919
   34   HD21  ASN1888          HD21      ASN1888   4.440   8.410   9.506
   35   HD22  ASN1888          HD22      ASN1888   3.913   8.103  11.114
   36    H    VAL1889           HN       VAL1889   9.374   7.349  12.118
   37    HA   VAL1889           HA       VAL1889   9.546   4.507  11.526
   38    HB   VAL1889           HB       VAL1889  11.690   5.428  12.239
   39   HG11  VAL1889          HG11      VAL1889  12.078   6.339  14.473
   40   HG12  VAL1889          HG12      VAL1889  10.341   6.286  14.781
   41   HG13  VAL1889          HG13      VAL1889  10.980   7.335  13.518
   42   HG21  VAL1889          HG21      VAL1889  12.219   3.945  14.125
   43   HG22  VAL1889          HG22      VAL1889  11.251   3.144  12.886
   44   HG23  VAL1889          HG23      VAL1889  10.495   3.686  14.386
   45    H    GLN1890           HN       GLN1890   7.911   3.532  11.898
   46    HA   GLN1890           HA       GLN1890   6.020   4.253  13.922
   47    HB2  GLN1890           HB2      GLN1890   6.059   2.213  11.716
   48    HB3  GLN1890           HB1      GLN1890   4.774   2.234  12.924
   49    HG2  GLN1890           HG2      GLN1890   5.505   4.719  11.470
   50    HG3  GLN1890           HG1      GLN1890   4.431   3.595  10.672
   51   HE21  GLN1890          HE21      GLN1890   3.997   6.257  11.657
   52   HE22  GLN1890          HE22      GLN1890   2.684   6.181  12.771
   53    H    ASN1891           HN       ASN1891   7.168   0.996  13.159
   54    HA   ASN1891           HA       ASN1891   8.403   0.343  15.531
   55    HB2  ASN1891           HB2      ASN1891   6.674  -1.028  16.719
   56    HB3  ASN1891           HB1      ASN1891   6.270   0.680  16.735
   57   HD21  ASN1891          HD21      ASN1891   4.647  -1.839  16.965
   58   HD22  ASN1891          HD22      ASN1891   3.392  -1.648  15.794
   59    H    ASP1892           HN       ASP1892   6.125  -0.727  13.130
   60    HA   ASP1892           HA       ASP1892   7.924  -2.946  12.489
   61    HB2  ASP1892           HB2      ASP1892   5.832  -3.616  13.906
   62    HB3  ASP1892           HB1      ASP1892   4.909  -3.285  12.445
   63    H    CYS1893           HN       CYS1893   5.897  -3.797  10.432
   64    HA   CYS1893           HA       CYS1893   5.868  -3.646   8.202
   65    HB2  CYS1893           HB2      CYS1893   4.264  -1.802   8.696
   66    HB3  CYS1893           HB1      CYS1893   5.604  -0.665   8.707
   67    H    ARG1894           HN       ARG1894   8.028  -4.359   8.517
   68    HA   ARG1894           HA       ARG1894  10.007  -2.803   7.139
   69    HB2  ARG1894           HB2      ARG1894  10.155  -1.779   9.328
   70    HB3  ARG1894           HB1      ARG1894  10.172  -3.346  10.107
   71    HG2  ARG1894           HG2      ARG1894  12.374  -3.788   9.254
   72    HG3  ARG1894           HG1      ARG1894  12.338  -2.294   8.312
   73    HD2  ARG1894           HD2      ARG1894  12.128  -2.435  11.316
   74    HD3  ARG1894           HD1      ARG1894  13.617  -2.093  10.439
   75    HE   ARG1894           HE       ARG1894  11.419  -0.379   9.726
   76   HH11  ARG1894          HH11      ARG1894  14.004  -0.733  12.158
   77   HH12  ARG1894          HH12      ARG1894  14.188   0.947  12.367
   78   HH21  ARG1894          HH21      ARG1894  11.679   1.828  10.005
   79   HH22  ARG1894          HH22      ARG1894  12.874   2.483  11.051
   80    H    VAL1895           HN       VAL1895  11.397  -4.273   6.172
   81    HA   VAL1895           HA       VAL1895  11.669  -6.890   7.388
   82    HB   VAL1895           HB       VAL1895   9.740  -7.107   5.819
   83   HG11  VAL1895          HG11      VAL1895  10.314  -5.461   4.175
   84   HG12  VAL1895          HG12      VAL1895  10.049  -7.031   3.421
   85   HG13  VAL1895          HG13      VAL1895  11.693  -6.440   3.651
   86   HG21  VAL1895          HG21      VAL1895  12.183  -8.648   4.950
   87   HG22  VAL1895          HG22      VAL1895  10.516  -9.087   4.580
   88   HG23  VAL1895          HG23      VAL1895  11.076  -9.082   6.253
   89    H    THR1896           HN       THR1896  13.581  -7.873   6.938
   90    HA   THR1896           HA       THR1896  15.532  -6.181   5.572
   91    HB   THR1896           HB       THR1896  15.987  -8.606   7.343
   92    HG1  THR1896           HG1      THR1896  15.065  -6.647   8.413
   93   HG21  THR1896          HG21      THR1896  17.825  -8.152   5.784
   94   HG22  THR1896          HG22      THR1896  18.302  -7.794   7.445
   95   HG23  THR1896          HG23      THR1896  17.889  -6.481   6.342
   96    H    ASN1897           HN       ASN1897  16.261  -6.776   3.605
   97    HA   ASN1897           HA       ASN1897  15.603  -9.477   2.659
   98    HB2  ASN1897           HB2      ASN1897  14.730  -7.655   1.231
   99    HB3  ASN1897           HB1      ASN1897  16.357  -7.009   1.054
  100   HD21  ASN1897          HD21      ASN1897  16.408  -7.234  -1.178
  101   HD22  ASN1897          HD22      ASN1897  16.469  -8.718  -2.000
  102    HA   PRO1898           HA       PRO1898  19.969 -10.100   3.534
  103    HB2  PRO1898           HB2      PRO1898  19.949 -12.757   2.838
  104    HB3  PRO1898           HB1      PRO1898  19.476 -12.144   4.424
  105    HG2  PRO1898           HG2      PRO1898  17.764 -12.925   2.106
  106    HG3  PRO1898           HG1      PRO1898  17.521 -13.236   3.835
  107    HD2  PRO1898           HD2      PRO1898  16.192 -11.297   2.544
  108    HD3  PRO1898           HD1      PRO1898  16.712 -11.112   4.232
  109    H    ALA1899           HN       ALA1899  18.296 -10.505   0.567
  110    HA   ALA1899           HA       ALA1899  20.578 -11.179  -0.995
  111    HB1  ALA1899           HB1      ALA1899  18.305 -11.666  -1.774
  112    HB2  ALA1899           HB2      ALA1899  19.171 -10.649  -2.926
  113    HB3  ALA1899           HB3      ALA1899  17.963  -9.939  -1.855
  114    H    THR1900           HN       THR1900  18.759  -8.116  -0.559
  115    HA   THR1900           HA       THR1900  20.765  -6.561  -1.872
  116    HB   THR1900           HB       THR1900  18.809  -5.380   0.093
  117    HG1  THR1900           HG1      THR1900  18.205  -6.659  -2.379
  118   HG21  THR1900          HG21      THR1900  18.707  -3.605  -1.586
  119   HG22  THR1900          HG22      THR1900  19.789  -4.530  -2.629
  120   HG23  THR1900          HG23      THR1900  20.369  -3.915  -1.082
  121    H    GLY1901           HN       GLY1901  20.179  -7.691   1.364
  122    HA2  GLY1901           HA2      GLY1901  21.537  -7.665   3.237
  123    HA3  GLY1901           HA1      GLY1901  22.700  -6.682   2.346
  124    H    HIS1902           HN       HIS1902  19.659  -5.496   2.073
  125    HA   HIS1902           HA       HIS1902  20.272  -3.311   3.923
  126    HB2  HIS1902           HB2      HIS1902  18.998  -3.331   1.206
  127    HB3  HIS1902           HB1      HIS1902  18.716  -2.014   2.329
  128    HD1  HIS1902           HD1      HIS1902  21.746  -3.714   0.606
  129    HD2  HIS1902           HD2      HIS1902  20.535  -0.028   2.132
  130    HE1  HIS1902           HE1      HIS1902  23.463  -2.092  -0.119
  131    HE2  HIS1902           HE2      HIS1902  22.385   0.101   0.362
  132    H    LEU1903           HN       LEU1903  18.431  -2.170   4.713
  133    HA   LEU1903           HA       LEU1903  16.332  -3.997   5.589
  134    HB2  LEU1903           HB2      LEU1903  17.668  -2.839   7.272
  135    HB3  LEU1903           HB1      LEU1903  17.261  -1.295   6.560
  136    HG   LEU1903           HG       LEU1903  14.895  -1.665   7.189
  137   HD11  LEU1903          HD11      LEU1903  14.358  -3.444   8.775
  138   HD12  LEU1903          HD12      LEU1903  15.994  -4.087   8.602
  139   HD13  LEU1903          HD13      LEU1903  14.897  -4.087   7.223
  140   HD21  LEU1903          HD21      LEU1903  16.884  -1.837   9.451
  141   HD22  LEU1903          HD22      LEU1903  15.226  -1.246   9.576
  142   HD23  LEU1903          HD23      LEU1903  16.406  -0.368   8.606
  143    H    PHE1904           HN       PHE1904  14.349  -3.808   4.660
  144    HA   PHE1904           HA       PHE1904  13.786  -1.431   3.079
  145    HB2  PHE1904           HB2      PHE1904  12.316  -4.046   3.326
  146    HB3  PHE1904           HB1      PHE1904  11.779  -2.708   2.336
  147    HD1  PHE1904           HD2      PHE1904  15.001  -2.390   1.780
  148    HD2  PHE1904           HD1      PHE1904  12.005  -5.333   1.108
  149    HE1  PHE1904           HE2      PHE1904  16.336  -3.284  -0.031
  150    HE2  PHE1904           HE1      PHE1904  13.344  -6.266  -0.742
  151    HZ   PHE1904           HZ       PHE1904  15.251  -5.321  -1.463
  152    H    ASP1905           HN       ASP1905  12.890   0.142   4.199
  153    HA   ASP1905           HA       ASP1905  10.449  -0.447   5.637
  154    HB2  ASP1905           HB2      ASP1905  12.306  -0.153   7.373
  155    HB3  ASP1905           HB1      ASP1905  12.504   1.487   6.763
  156    H    LEU1906           HN       LEU1906   8.982   0.984   5.114
  157    HA   LEU1906           HA       LEU1906   9.610   2.822   2.972
  158    HB2  LEU1906           HB2      LEU1906   6.978   2.180   4.301
  159    HB3  LEU1906           HB1      LEU1906   7.189   3.059   2.799
  160    HG   LEU1906           HG       LEU1906   7.877   0.158   3.245
  161   HD11  LEU1906          HD11      LEU1906   6.017  -0.282   1.761
  162   HD12  LEU1906          HD12      LEU1906   5.656   1.442   1.697
  163   HD13  LEU1906          HD13      LEU1906   5.486   0.558   3.221
  164   HD21  LEU1906          HD21      LEU1906   7.950   1.814   0.720
  165   HD22  LEU1906          HD22      LEU1906   8.243   0.079   0.832
  166   HD23  LEU1906          HD23      LEU1906   9.352   1.212   1.603
  167    H    THR1907           HN       THR1907  10.885   3.726   5.069
  168    HA   THR1907           HA       THR1907   9.805   5.193   7.090
  169    HB   THR1907           HB       THR1907  11.930   6.594   6.847
  170    HG1  THR1907           HG1      THR1907  13.258   4.917   5.279
  171   HG21  THR1907          HG21      THR1907  12.158   3.578   6.980
  172   HG22  THR1907          HG22      THR1907  11.785   4.645   8.335
  173   HG23  THR1907          HG23      THR1907  13.369   4.722   7.561
  174    H    SER1908           HN       SER1908  10.931   6.578   4.056
  175    HA   SER1908           HA       SER1908   9.796   9.144   4.516
  176    HB2  SER1908           HB2      SER1908  10.898   7.977   1.964
  177    HB3  SER1908           HB1      SER1908  10.626   9.689   2.300
  178    HG   SER1908           HG       SER1908  12.777   9.073   2.640
  179    H    LEU1909           HN       LEU1909   8.300   6.381   3.669
  180    HA   LEU1909           HA       LEU1909   6.401   7.646   1.865
  181    HB2  LEU1909           HB2      LEU1909   7.551   5.087   2.106
  182    HB3  LEU1909           HB1      LEU1909   5.843   4.899   2.393
  183    HG   LEU1909           HG       LEU1909   5.388   5.940   0.193
  184   HD11  LEU1909          HD11      LEU1909   7.355   7.391   0.072
  185   HD12  LEU1909          HD12      LEU1909   7.234   6.356  -1.353
  186   HD13  LEU1909          HD13      LEU1909   8.393   5.973  -0.081
  187   HD21  LEU1909          HD21      LEU1909   6.221   4.118  -1.174
  188   HD22  LEU1909          HD22      LEU1909   5.647   3.516   0.385
  189   HD23  LEU1909          HD23      LEU1909   7.378   3.692   0.083
  190    H    LYS1910           HN       LYS1910   6.682   6.048   4.990
  191    HA   LYS1910           HA       LYS1910   3.952   6.009   5.693
  192    HB2  LYS1910           HB2      LYS1910   6.405   6.094   7.474
  193    HB3  LYS1910           HB1      LYS1910   4.782   5.670   7.996
  194    HG2  LYS1910           HG2      LYS1910   4.801   3.688   6.648
  195    HG3  LYS1910           HG1      LYS1910   6.337   4.154   5.920
  196    HD2  LYS1910           HD2      LYS1910   7.398   3.987   8.148
  197    HD3  LYS1910           HD1      LYS1910   5.839   3.455   8.794
  198    HE2  LYS1910           HE2      LYS1910   5.858   1.474   7.459
  199    HE3  LYS1910           HE1      LYS1910   7.242   2.042   6.531
  200    HZ1  LYS1910           HZ1      LYS1910   8.637   1.789   8.438
  201    HZ2  LYS1910           HZ2      LYS1910   7.891   0.349   8.148
  202    HZ3  LYS1910           HZ3      LYS1910   7.368   1.292   9.437
  203    H    ARG1911           HN       ARG1911   2.656   7.610   6.329
  204    HA   ARG1911           HA       ARG1911   3.773  10.023   7.429
  205    HB2  ARG1911           HB2      ARG1911   2.549  11.423   5.766
  206    HB3  ARG1911           HB1      ARG1911   3.918  10.535   5.118
  207    HG2  ARG1911           HG2      ARG1911   2.292   8.823   4.303
  208    HG3  ARG1911           HG1      ARG1911   0.999   9.937   4.765
  209    HD2  ARG1911           HD2      ARG1911   3.236  10.503   2.830
  210    HD3  ARG1911           HD1      ARG1911   1.557  10.171   2.411
  211    HE   ARG1911           HE       ARG1911   1.502  12.301   4.140
  212   HH11  ARG1911          HH11      ARG1911   2.957  11.649   0.965
  213   HH12  ARG1911          HH12      ARG1911   2.789  13.265   0.422
  214   HH21  ARG1911          HH21      ARG1911   1.327  14.539   3.357
  215   HH22  ARG1911          HH22      ARG1911   1.867  14.886   1.764
  216    H    GLU1912           HN       GLU1912   1.874  11.610   7.861
  217    HA   GLU1912           HA       GLU1912   0.364  10.214   9.797
  218    HB2  GLU1912           HB2      GLU1912   0.123  13.080   8.913
  219    HB3  GLU1912           HB1      GLU1912  -0.584  12.389  10.366
  220    HG2  GLU1912           HG2      GLU1912   2.345  12.681   9.743
  221    HG3  GLU1912           HG1      GLU1912   1.415  13.573  10.945
  222    H    SER1913           HN       SER1913  -0.730  11.919   6.850
  223    HA   SER1913           HA       SER1913  -3.420  11.019   7.401
  224    HB2  SER1913           HB2      SER1913  -2.362  12.513   4.994
  225    HB3  SER1913           HB1      SER1913  -4.045  12.375   5.510
  226    HG   SER1913           HG       SER1913  -3.724  13.737   7.088
  227    H    GLY1914           HN       GLY1914  -1.208  10.792   4.621
  228    HA2  GLY1914           HA2      GLY1914  -0.792   8.282   4.179
  229    HA3  GLY1914           HA1      GLY1914  -2.524   8.337   3.815
  230    H    TYR1915           HN       TYR1915  -2.040   7.769   1.682
  231    HA   TYR1915           HA       TYR1915  -1.159  10.045   0.112
  232    HB2  TYR1915           HB2      TYR1915  -0.114   8.492  -1.534
  233    HB3  TYR1915           HB1      TYR1915   0.712   8.499   0.014
  234    HD1  TYR1915           HD1      TYR1915   0.271   6.580   1.599
  235    HD2  TYR1915           HD2      TYR1915  -0.920   6.496  -2.478
  236    HE1  TYR1915           HE1      TYR1915   0.132   4.146   1.698
  237    HE2  TYR1915           HE2      TYR1915  -1.064   4.043  -2.382
  238    HH   TYR1915           HH       TYR1915  -0.973   2.311   0.554
  239    H    THR1916           HN       THR1916  -2.084  10.111  -1.984
  240    HA   THR1916           HA       THR1916  -4.656   8.768  -1.979
  241    HB   THR1916           HB       THR1916  -5.000  10.944  -1.016
  242    HG1  THR1916           HG1      THR1916  -6.617  10.390  -2.374
  243   HG21  THR1916          HG21      THR1916  -2.985  12.080  -1.795
  244   HG22  THR1916          HG22      THR1916  -4.420  13.027  -2.199
  245   HG23  THR1916          HG23      THR1916  -3.606  12.079  -3.444
  246    H    ILE1917           HN       ILE1917  -5.322   8.076  -3.790
  247    HA   ILE1917           HA       ILE1917  -4.073   8.985  -6.283
  248    HB   ILE1917           HB       ILE1917  -5.163   6.229  -6.302
  249   HG12  ILE1917          HG12      ILE1917  -2.523   6.717  -4.869
  250   HG13  ILE1917          HG11      ILE1917  -4.009   6.179  -4.092
  251   HG21  ILE1917          HG21      ILE1917  -3.949   7.211  -8.272
  252   HG22  ILE1917          HG22      ILE1917  -3.132   5.781  -7.670
  253   HG23  ILE1917          HG23      ILE1917  -2.513   7.368  -7.266
  254   HD11  ILE1917          HD11      ILE1917  -2.445   4.652  -6.168
  255   HD12  ILE1917          HD12      ILE1917  -3.930   4.108  -5.390
  256   HD13  ILE1917          HD13      ILE1917  -2.466   4.331  -4.434
  257    H    THR1918           HN       THR1918  -5.805   7.738  -7.992
  258    HA   THR1918           HA       THR1918  -8.436   8.649  -7.129
  259    HB   THR1918           HB       THR1918  -7.239   8.919  -9.909
  260    HG1  THR1918           HG1      THR1918  -6.166  10.366  -8.573
  261   HG21  THR1918          HG21      THR1918  -9.741  10.111  -8.669
  262   HG22  THR1918          HG22      THR1918  -9.714   8.789  -9.833
  263   HG23  THR1918          HG23      THR1918  -9.172  10.399 -10.313
  264    H    ASP1919           HN       ASP1919 -10.110   7.300  -7.867
  265    HA   ASP1919           HA       ASP1919  -9.214   4.685  -8.742
  266    HB2  ASP1919           HB2      ASP1919 -10.705   4.946  -6.702
  267    HB3  ASP1919           HB1      ASP1919 -11.942   5.619  -7.747
  268    H    SER1920           HN       SER1920 -11.933   4.220  -9.896
  269    HA   SER1920           HA       SER1920 -11.415   4.336 -12.537
  270    HB2  SER1920           HB2      SER1920 -14.122   4.531 -11.249
  271    HB3  SER1920           HB1      SER1920 -13.738   3.831 -12.827
  272    HG   SER1920           HG       SER1920 -13.129   2.887 -10.242
  273    H    HIS1921           HN       HIS1921 -13.426   6.775 -10.789
  274    HA   HIS1921           HA       HIS1921 -12.440   8.796 -12.552
  275    HB2  HIS1921           HB2      HIS1921 -14.213   7.932 -14.001
  276    HB3  HIS1921           HB1      HIS1921 -15.392   8.108 -12.705
  277    HD1  HIS1921           HD1      HIS1921 -16.694  10.202 -12.756
  278    HD2  HIS1921           HD2      HIS1921 -13.104  10.591 -14.800
  279    HE1  HIS1921           HE1      HIS1921 -16.701  12.530 -13.704
  280    HE2  HIS1921           HE2      HIS1921 -14.721  12.554 -15.229
  281    H    ASN1922           HN       ASN1922 -15.367   8.436 -10.557
  282    HA   ASN1922           HA       ASN1922 -14.913  11.062  -9.370
  283    HB2  ASN1922           HB2      ASN1922 -17.173  10.128  -9.984
  284    HB3  ASN1922           HB1      ASN1922 -16.967   8.985  -8.696
  285   HD21  ASN1922          HD21      ASN1922 -17.544  12.334  -9.384
  286   HD22  ASN1922          HD22      ASN1922 -17.960  12.794  -7.765
  287    H    ARG1923           HN       ARG1923 -15.168   7.786  -8.500
  288    HA   ARG1923           HA       ARG1923 -14.729   7.962  -5.726
  289    HB2  ARG1923           HB2      ARG1923 -15.584   5.973  -7.203
  290    HB3  ARG1923           HB1      ARG1923 -13.848   5.672  -7.370
  291    HG2  ARG1923           HG2      ARG1923 -13.573   5.128  -5.161
  292    HG3  ARG1923           HG1      ARG1923 -15.128   5.825  -4.690
  293    HD2  ARG1923           HD2      ARG1923 -15.277   3.403  -4.699
  294    HD3  ARG1923           HD1      ARG1923 -16.275   4.075  -5.990
  295    HE   ARG1923           HE       ARG1923 -13.883   3.535  -7.188
  296   HH11  ARG1923          HH11      ARG1923 -16.383   1.562  -5.657
  297   HH12  ARG1923          HH12      ARG1923 -15.741   0.088  -6.269
  298   HH21  ARG1923          HH21      ARG1923 -13.077   1.685  -7.963
  299   HH22  ARG1923          HH22      ARG1923 -13.741   0.138  -7.634
  300    H    LYS1924           HN       LYS1924 -12.874   7.427  -4.574
  301    HA   LYS1924           HA       LYS1924 -10.330   8.054  -5.951
  302    HB2  LYS1924           HB2      LYS1924 -11.103   9.028  -3.199
  303    HB3  LYS1924           HB1      LYS1924  -9.607   9.373  -4.045
  304    HG2  LYS1924           HG2      LYS1924 -10.892  10.628  -5.741
  305    HG3  LYS1924           HG1      LYS1924 -12.361  10.326  -4.811
  306    HD2  LYS1924           HD2      LYS1924 -11.755  12.433  -4.066
  307    HD3  LYS1924           HD1      LYS1924 -11.028  11.392  -2.848
  308    HE2  LYS1924           HE2      LYS1924  -9.627  12.711  -5.184
  309    HE3  LYS1924           HE1      LYS1924  -9.490  13.159  -3.494
  310    HZ1  LYS1924           HZ1      LYS1924  -8.475  10.652  -4.748
  311    HZ2  LYS1924           HZ2      LYS1924  -8.413  10.948  -3.098
  312    HZ3  LYS1924           HZ3      LYS1924  -7.581  11.949  -4.175
  313    H    ILE1925           HN       ILE1925  -8.419   7.318  -4.770
  314    HA   ILE1925           HA       ILE1925  -9.005   4.990  -3.101
  315    HB   ILE1925           HB       ILE1925  -6.606   5.340  -4.959
  316   HG12  ILE1925          HG12      ILE1925  -9.057   3.606  -5.326
  317   HG13  ILE1925          HG11      ILE1925  -8.696   5.061  -6.237
  318   HG21  ILE1925          HG21      ILE1925  -6.200   2.972  -4.488
  319   HG22  ILE1925          HG22      ILE1925  -7.608   2.939  -3.425
  320   HG23  ILE1925          HG23      ILE1925  -6.207   3.921  -2.998
  321   HD11  ILE1925          HD11      ILE1925  -8.135   3.050  -7.549
  322   HD12  ILE1925          HD12      ILE1925  -7.048   2.516  -6.271
  323   HD13  ILE1925          HD13      ILE1925  -6.683   3.977  -7.175
  324    H    GLU1926           HN       GLU1926  -8.621   5.761  -1.088
  325    HA   GLU1926           HA       GLU1926  -6.281   7.490  -0.648
  326    HB2  GLU1926           HB2      GLU1926  -8.610   6.942   1.199
  327    HB3  GLU1926           HB1      GLU1926  -7.375   8.166   1.397
  328    HG2  GLU1926           HG2      GLU1926  -9.439   8.149  -0.794
  329    HG3  GLU1926           HG1      GLU1926  -9.583   9.039   0.716
  330    H    LEU1927           HN       LEU1927  -4.584   6.503   0.426
  331    HA   LEU1927           HA       LEU1927  -5.212   4.203   2.127
  332    HB2  LEU1927           HB2      LEU1927  -2.788   3.976   0.364
  333    HB3  LEU1927           HB1      LEU1927  -3.677   2.716   1.178
  334    HG   LEU1927           HG       LEU1927  -5.504   3.133  -0.594
  335   HD11  LEU1927          HD11      LEU1927  -3.148   4.457  -1.923
  336   HD12  LEU1927          HD12      LEU1927  -4.654   5.242  -1.446
  337   HD13  LEU1927          HD13      LEU1927  -4.656   4.017  -2.718
  338   HD21  LEU1927          HD21      LEU1927  -4.359   1.662  -2.178
  339   HD22  LEU1927          HD22      LEU1927  -4.102   1.139  -0.511
  340   HD23  LEU1927          HD23      LEU1927  -2.824   1.997  -1.377
  341    H    ASN1928           HN       ASN1928  -3.209   3.596   3.381
  342    HA   ASN1928           HA       ASN1928  -1.155   5.649   3.476
  343    HB2  ASN1928           HB2      ASN1928  -2.827   6.320   5.216
  344    HB3  ASN1928           HB1      ASN1928  -2.625   4.754   5.978
  345   HD21  ASN1928          HD21      ASN1928  -2.152   7.532   6.914
  346   HD22  ASN1928          HD22      ASN1928  -0.527   7.545   7.483
  347    H    VAL1929           HN       VAL1929   0.808   4.794   3.747
  348    HA   VAL1929           HA       VAL1929   0.956   1.963   3.858
  349    HB   VAL1929           HB       VAL1929   3.482   2.542   3.584
  350   HG11  VAL1929          HG11      VAL1929   3.178   2.659   1.152
  351   HG12  VAL1929          HG12      VAL1929   1.466   3.022   1.389
  352   HG13  VAL1929          HG13      VAL1929   2.115   1.452   1.877
  353   HG21  VAL1929          HG21      VAL1929   2.196   5.098   2.627
  354   HG22  VAL1929          HG22      VAL1929   3.849   4.611   2.323
  355   HG23  VAL1929          HG23      VAL1929   3.321   4.926   3.980
  356    H    CYS1930           HN       CYS1930   0.529   1.418   5.811
  357    HA   CYS1930           HA       CYS1930   0.986   0.593   7.876
  358    HB2  CYS1930           HB2      CYS1930   3.786   1.384   7.179
  359    HB3  CYS1930           HB1      CYS1930   3.312   0.306   8.490
  360    H    ALA1931           HN       ALA1931   0.869   3.802   7.529
  361    HA   ALA1931           HA       ALA1931   1.709   4.161  10.296
  362    HB1  ALA1931           HB1      ALA1931   1.424   6.272   8.159
  363    HB2  ALA1931           HB2      ALA1931   2.941   5.556   8.721
  364    HB3  ALA1931           HB3      ALA1931   1.974   6.545   9.815
  365    H    GLU1932           HN       GLU1932  -0.746   3.268   8.933
  366    HA   GLU1932           HA       GLU1932  -2.931   3.100   9.349
  367    HB2  GLU1932           HB2      GLU1932  -2.353   4.714  11.904
  368    HB3  GLU1932           HB1      GLU1932  -3.831   3.843  11.553
  369    HG2  GLU1932           HG2      GLU1932  -2.808   1.760  11.547
  370    HG3  GLU1932           HG1      GLU1932  -1.188   2.435  11.463
  371    H    ALA1933           HN       ALA1933  -4.568   3.884   8.278
  372    HA   ALA1933           HA       ALA1933  -4.118   6.424   7.043
  373    HB1  ALA1933           HB1      ALA1933  -5.891   5.832   5.518
  374    HB2  ALA1933           HB2      ALA1933  -6.353   4.472   6.536
  375    HB3  ALA1933           HB3      ALA1933  -4.793   4.469   5.722
  376    H    LYS1934           HN       LYS1934  -4.651   8.175   8.054
  377    HA   LYS1934           HA       LYS1934  -7.356   8.364   9.161
  378    HB2  LYS1934           HB2      LYS1934  -4.896  10.060   9.642
  379    HB3  LYS1934           HB1      LYS1934  -6.498  10.664  10.013
  380    HG2  LYS1934           HG2      LYS1934  -5.649   9.862  12.045
  381    HG3  LYS1934           HG1      LYS1934  -6.763   8.616  11.500
  382    HD2  LYS1934           HD2      LYS1934  -4.807   7.560  12.350
  383    HD3  LYS1934           HD1      LYS1934  -4.790   7.386  10.592
  384    HE2  LYS1934           HE2      LYS1934  -3.269   9.282  10.415
  385    HE3  LYS1934           HE1      LYS1934  -3.289   9.469  12.166
  386    HZ1  LYS1934           HZ1      LYS1934  -1.339   8.263  11.464
  387    HZ2  LYS1934           HZ2      LYS1934  -2.282   7.136  10.657
  388    HZ3  LYS1934           HZ3      LYS1934  -2.359   7.240  12.343
  389    H    SER1935           HN       SER1935  -6.382   8.367   6.342
  390    HA   SER1935           HA       SER1935  -6.857  10.965   5.325
  391    HB2  SER1935           HB2      SER1935  -6.907   9.601   3.134
  392    HB3  SER1935           HB1      SER1935  -5.405   9.595   4.063
  393    HG   SER1935           HG       SER1935  -5.801   7.494   3.618
  394    H    SER1936           HN       SER1936  -8.627   8.173   4.085
  395    HA   SER1936           HA       SER1936 -11.096   9.639   4.582
  396    HB2  SER1936           HB2      SER1936 -12.055   7.971   2.968
  397    HB3  SER1936           HB1      SER1936 -10.788   8.993   2.286
  398    HG   SER1936           HG       SER1936 -10.292   6.963   1.691
  399    H    CYS1937           HN       CYS1937  -9.286   6.868   5.446
  400    HA   CYS1937           HA       CYS1937 -11.393   5.381   6.640
  401    HB2  CYS1937           HB2      CYS1937  -8.455   5.187   7.305
  402    HB3  CYS1937           HB1      CYS1937  -9.717   3.958   7.401
  403    H    ALA1938           HN       ALA1938 -10.939   4.823   9.196
  404    HA   ALA1938           HA       ALA1938 -10.992   7.367  10.544
  405    HB1  ALA1938           HB1      ALA1938 -11.154   4.585  11.698
  406    HB2  ALA1938           HB2      ALA1938 -12.539   5.646  11.369
  407    HB3  ALA1938           HB3      ALA1938 -11.334   6.066  12.602
  408    H    ASN1939           HN       ASN1939  -9.346   4.520  11.804
  409    HA   ASN1939           HA       ASN1939  -7.015   6.131  12.021
  410    HB2  ASN1939           HB2      ASN1939  -8.066   6.086  14.148
  411    HB3  ASN1939           HB1      ASN1939  -8.228   4.336  14.087
  412   HD21  ASN1939          HD21      ASN1939  -7.093   3.757  15.696
  413   HD22  ASN1939          HD22      ASN1939  -5.418   4.066  15.941
  414    H    GLY1940           HN       GLY1940  -7.964   2.786  12.749
  415    HA2  GLY1940           HA2      GLY1940  -5.349   1.798  12.083
  416    HA3  GLY1940           HA1      GLY1940  -6.667   0.904  12.801
  417    H    ALA1941           HN       ALA1941  -7.615   2.480   9.994
  418    HA   ALA1941           HA       ALA1941  -7.458  -0.055   8.546
  419    HB1  ALA1941           HB1      ALA1941  -9.640   1.039   8.582
  420    HB2  ALA1941           HB2      ALA1941  -9.003   1.000   6.933
  421    HB3  ALA1941           HB3      ALA1941  -8.913   2.483   7.889
  422    H    ALA1942           HN       ALA1942  -7.088   0.432   5.988
  423    HA   ALA1942           HA       ALA1942  -4.804   2.263   5.862
  424    HB1  ALA1942           HB1      ALA1942  -3.957   0.019   6.272
  425    HB2  ALA1942           HB2      ALA1942  -3.466   0.660   4.705
  426    HB3  ALA1942           HB3      ALA1942  -4.762  -0.535   4.805
  427    H    VAL1943           HN       VAL1943  -6.962   0.211   3.921
  428    HA   VAL1943           HA       VAL1943  -6.570   2.179   1.774
  429    HB   VAL1943           HB       VAL1943  -7.453  -0.696   1.451
  430   HG11  VAL1943          HG11      VAL1943  -6.578   1.350  -0.580
  431   HG12  VAL1943          HG12      VAL1943  -8.222   0.770  -0.315
  432   HG13  VAL1943          HG13      VAL1943  -6.989  -0.331  -0.927
  433   HG21  VAL1943          HG21      VAL1943  -5.149  -0.664   2.243
  434   HG22  VAL1943          HG22      VAL1943  -4.715   0.477   0.970
  435   HG23  VAL1943          HG23      VAL1943  -5.219  -1.160   0.551
  436    H    CYS1944           HN       CYS1944  -8.273   3.434   1.588
  437    HA   CYS1944           HA       CYS1944 -10.895   2.172   1.770
  438    HB2  CYS1944           HB2      CYS1944 -10.172   4.915   2.807
  439    HB3  CYS1944           HB1      CYS1944 -11.802   4.256   2.721
  440    H    ILE1945           HN       ILE1945 -11.916   2.303   0.031
  441    HA   ILE1945           HA       ILE1945 -11.099   4.147  -2.085
  442    HB   ILE1945           HB       ILE1945 -13.137   1.900  -2.267
  443   HG12  ILE1945          HG12      ILE1945 -11.019   0.906  -1.462
  444   HG13  ILE1945          HG11      ILE1945 -11.393   0.396  -3.100
  445   HG21  ILE1945          HG21      ILE1945 -11.419   3.246  -4.343
  446   HG22  ILE1945          HG22      ILE1945 -13.146   3.500  -4.084
  447   HG23  ILE1945          HG23      ILE1945 -12.560   1.935  -4.644
  448   HD11  ILE1945          HD11      ILE1945  -9.388   2.499  -2.309
  449   HD12  ILE1945          HD12      ILE1945  -9.752   1.995  -3.959
  450   HD13  ILE1945          HD13      ILE1945  -9.028   0.854  -2.827
  451    H    THR1946           HN       THR1946 -12.152   6.061  -1.633
  452    HA   THR1946           HA       THR1946 -14.847   5.930  -0.613
  453    HB   THR1946           HB       THR1946 -14.207   8.537  -0.642
  454    HG1  THR1946           HG1      THR1946 -12.098   8.761  -0.124
  455   HG21  THR1946          HG21      THR1946 -13.518   6.508   1.498
  456   HG22  THR1946          HG22      THR1946 -15.085   7.287   1.220
  457   HG23  THR1946          HG23      THR1946 -13.706   8.251   1.733
  458    H    ASP1947           HN       ASP1947 -16.498   6.191  -1.847
  459    HA   ASP1947           HA       ASP1947 -16.225   7.788  -4.310
  460    HB2  ASP1947           HB2      ASP1947 -17.255   5.416  -4.401
  461    HB3  ASP1947           HB1      ASP1947 -18.570   6.055  -3.425
  462    H    GLY1948           HN       GLY1948 -16.268   9.773  -3.346
  463    HA2  GLY1948           HA2      GLY1948 -17.214  11.623  -2.371
  464    HA3  GLY1948           HA1      GLY1948 -18.737  10.732  -2.256
  465    HA   PRO1949           HA       PRO1949 -17.390  10.364   2.046
  466    HB2  PRO1949           HB2      PRO1949 -19.831  10.449   3.157
  467    HB3  PRO1949           HB1      PRO1949 -19.027  11.913   2.584
  468    HG2  PRO1949           HG2      PRO1949 -21.247  10.368   1.353
  469    HG3  PRO1949           HG1      PRO1949 -20.937  12.110   1.328
  470    HD2  PRO1949           HD2      PRO1949 -20.344  10.281  -0.717
  471    HD3  PRO1949           HD1      PRO1949 -19.749  11.945  -0.595
  472    H    LYS1950           HN       LYS1950 -18.847   8.352  -0.094
  473    HA   LYS1950           HA       LYS1950 -19.700   6.263   1.725
  474    HB2  LYS1950           HB2      LYS1950 -20.978   6.626  -0.318
  475    HB3  LYS1950           HB1      LYS1950 -19.533   6.433  -1.291
  476    HG2  LYS1950           HG2      LYS1950 -19.404   4.085  -0.561
  477    HG3  LYS1950           HG1      LYS1950 -20.920   4.308   0.316
  478    HD2  LYS1950           HD2      LYS1950 -22.076   4.840  -1.734
  479    HD3  LYS1950           HD1      LYS1950 -20.565   4.772  -2.639
  480    HE2  LYS1950           HE2      LYS1950 -21.788   2.736  -2.979
  481    HE3  LYS1950           HE1      LYS1950 -20.341   2.401  -2.034
  482    HZ1  LYS1950           HZ1      LYS1950 -21.804   2.459  -0.013
  483    HZ2  LYS1950           HZ2      LYS1950 -22.099   1.217  -1.085
  484    HZ3  LYS1950           HZ3      LYS1950 -23.140   2.554  -1.064
  485    H    THR1951           HN       THR1951 -18.106   5.184   2.686
  486    HA   THR1951           HA       THR1951 -15.536   4.954   1.381
  487    HB   THR1951           HB       THR1951 -16.323   4.260   4.212
  488    HG1  THR1951           HG1      THR1951 -15.412   6.389   4.620
  489   HG21  THR1951          HG21      THR1951 -13.660   4.919   2.937
  490   HG22  THR1951          HG22      THR1951 -14.179   3.311   3.447
  491   HG23  THR1951          HG23      THR1951 -13.926   4.581   4.648
  492    H    LEU1952           HN       LEU1952 -14.933   3.130   0.400
  493    HA   LEU1952           HA       LEU1952 -16.057   0.543   1.208
  494    HB2  LEU1952           HB2      LEU1952 -16.205   1.017  -1.179
  495    HB3  LEU1952           HB1      LEU1952 -14.517   1.471  -1.232
  496    HG   LEU1952           HG       LEU1952 -13.888  -0.878  -0.803
  497   HD11  LEU1952          HD11      LEU1952 -16.843  -1.405  -0.998
  498   HD12  LEU1952          HD12      LEU1952 -15.821  -1.638   0.427
  499   HD13  LEU1952          HD13      LEU1952 -15.580  -2.633  -1.001
  500   HD21  LEU1952          HD21      LEU1952 -14.519  -1.744  -3.004
  501   HD22  LEU1952          HD22      LEU1952 -14.025  -0.054  -3.085
  502   HD23  LEU1952          HD23      LEU1952 -15.737  -0.476  -3.152
  503    H    ASN1953           HN       ASN1953 -14.708  -0.809   2.359
  504    HA   ASN1953           HA       ASN1953 -12.019   0.267   2.854
  505    HB2  ASN1953           HB2      ASN1953 -13.600  -0.162   4.804
  506    HB3  ASN1953           HB1      ASN1953 -13.438  -1.880   4.444
  507   HD21  ASN1953          HD21      ASN1953 -11.922   0.920   5.686
  508   HD22  ASN1953          HD22      ASN1953 -10.501   0.169   6.322
  509    H    ALA1954           HN       ALA1954 -10.359  -0.736   1.971
  510    HA   ALA1954           HA       ALA1954 -10.846  -3.420   0.865
  511    HB1  ALA1954           HB1      ALA1954  -8.959  -1.303  -0.163
  512    HB2  ALA1954           HB2      ALA1954 -10.536  -1.696  -0.847
  513    HB3  ALA1954           HB3      ALA1954  -9.237  -2.890  -0.884
  514    H    GLY1955           HN       GLY1955  -9.642  -2.358   3.516
  515    HA2  GLY1955           HA2      GLY1955  -8.222  -4.453   4.287
  516    HA3  GLY1955           HA1      GLY1955  -7.017  -3.558   3.373
  517    H    LYS1956           HN       LYS1956  -7.388  -4.238   6.265
  518    HA   LYS1956           HA       LYS1956  -7.554  -1.597   7.478
  519    HB2  LYS1956           HB2      LYS1956  -7.243  -2.703   9.593
  520    HB3  LYS1956           HB1      LYS1956  -8.425  -3.624   8.675
  521    HG2  LYS1956           HG2      LYS1956  -6.703  -5.257   8.089
  522    HG3  LYS1956           HG1      LYS1956  -5.510  -4.323   8.995
  523    HD2  LYS1956           HD2      LYS1956  -6.327  -6.217  10.301
  524    HD3  LYS1956           HD1      LYS1956  -6.795  -4.685  11.047
  525    HE2  LYS1956           HE2      LYS1956  -8.620  -6.342  11.035
  526    HE3  LYS1956           HE1      LYS1956  -9.017  -4.878  10.129
  527    HZ1  LYS1956           HZ1      LYS1956  -9.654  -6.901   8.932
  528    HZ2  LYS1956           HZ2      LYS1956  -8.058  -7.421   8.929
  529    HZ3  LYS1956           HZ3      LYS1956  -8.498  -6.043   8.081
  530    H    LEU1957           HN       LEU1957  -5.601  -1.271   9.158
  531    HA   LEU1957           HA       LEU1957  -3.336  -1.162   7.411
  532    HB2  LEU1957           HB2      LEU1957  -4.144   0.728   8.913
  533    HB3  LEU1957           HB1      LEU1957  -3.544  -0.197  10.262
  534    HG   LEU1957           HG       LEU1957  -2.062   1.641   9.618
  535   HD11  LEU1957          HD11      LEU1957  -1.050  -0.244  10.701
  536   HD12  LEU1957          HD12      LEU1957   0.042   0.482   9.524
  537   HD13  LEU1957          HD13      LEU1957  -0.793  -1.027   9.141
  538   HD21  LEU1957          HD21      LEU1957  -2.500   1.738   7.262
  539   HD22  LEU1957          HD22      LEU1957  -1.728   0.162   7.035
  540   HD23  LEU1957          HD23      LEU1957  -0.775   1.545   7.582
  541    H    SER1958           HN       SER1958  -2.833  -3.354   7.241
  542    HA   SER1958           HA       SER1958  -1.792  -4.582   9.589
  543    HB2  SER1958           HB2      SER1958  -1.037  -6.238   7.612
  544    HB3  SER1958           HB1      SER1958  -2.672  -6.257   8.276
  545    HG   SER1958           HG       SER1958  -1.767  -5.423   5.796
  546    H    LYS1959           HN       LYS1959  -0.079  -3.848  10.344
  547    HA   LYS1959           HA       LYS1959   1.752  -2.293   8.724
  548    HB2  LYS1959           HB2      LYS1959   0.807  -1.615  11.011
  549    HB3  LYS1959           HB1      LYS1959   1.907  -2.790  11.697
  550    HG2  LYS1959           HG2      LYS1959   3.802  -1.559  10.869
  551    HG3  LYS1959           HG1      LYS1959   2.740  -0.428  10.030
  552    HD2  LYS1959           HD2      LYS1959   2.890  -0.828  13.031
  553    HD3  LYS1959           HD1      LYS1959   3.584   0.518  12.138
  554    HE2  LYS1959           HE2      LYS1959   1.277   1.150  11.405
  555    HE3  LYS1959           HE1      LYS1959   0.645  -0.148  12.400
  556    HZ1  LYS1959           HZ1      LYS1959   1.572   0.942  14.378
  557    HZ2  LYS1959           HZ2      LYS1959   0.500   1.968  13.597
  558    HZ3  LYS1959           HZ3      LYS1959   2.148   2.230  13.451
  559    H    THR1960           HN       THR1960   2.441  -4.140   7.569
  560    HA   THR1960           HA       THR1960   4.728  -5.406   8.812
  561    HB   THR1960           HB       THR1960   2.875  -6.970   9.248
  562    HG1  THR1960           HG1      THR1960   3.787  -8.727   7.681
  563   HG21  THR1960          HG21      THR1960   1.686  -8.081   7.383
  564   HG22  THR1960          HG22      THR1960   2.491  -7.002   6.243
  565   HG23  THR1960          HG23      THR1960   1.364  -6.347   7.431
  566    H    LEU1961           HN       LEU1961   6.230  -6.191   7.199
  567    HA   LEU1961           HA       LEU1961   5.586  -5.628   4.414
  568    HB2  LEU1961           HB2      LEU1961   8.030  -4.656   5.882
  569    HB3  LEU1961           HB1      LEU1961   8.079  -4.976   4.164
  570    HG   LEU1961           HG       LEU1961   6.363  -2.918   5.548
  571   HD11  LEU1961          HD11      LEU1961   8.753  -2.657   3.724
  572   HD12  LEU1961          HD12      LEU1961   8.731  -2.334   5.458
  573   HD13  LEU1961          HD13      LEU1961   7.792  -1.322   4.360
  574   HD21  LEU1961          HD21      LEU1961   5.224  -3.854   3.597
  575   HD22  LEU1961          HD22      LEU1961   6.656  -3.565   2.612
  576   HD23  LEU1961          HD23      LEU1961   5.757  -2.202   3.282
  577    H    THR1962           HN       THR1962   6.531  -7.036   2.986
  578    HA   THR1962           HA       THR1962   8.385  -8.973   3.996
  579    HB   THR1962           HB       THR1962   6.396 -10.027   4.731
  580    HG1  THR1962           HG1      THR1962   6.236 -11.547   2.540
  581   HG21  THR1962          HG21      THR1962   4.767  -8.685   3.611
  582   HG22  THR1962          HG22      THR1962   4.398 -10.388   3.314
  583   HG23  THR1962          HG23      THR1962   5.157  -9.407   2.046
  584    H    TYR1963           HN       TYR1963   9.649  -9.746   2.306
  585    HA   TYR1963           HA       TYR1963   8.934  -8.583  -0.248
  586    HB2  TYR1963           HB2      TYR1963  11.210  -9.145  -1.042
  587    HB3  TYR1963           HB1      TYR1963  11.279  -8.185   0.424
  588    HD1  TYR1963           HD1      TYR1963  11.898 -11.467  -1.070
  589    HD2  TYR1963           HD2      TYR1963  12.165  -9.137   2.476
  590    HE1  TYR1963           HE1      TYR1963  13.377 -13.149  -0.075
  591    HE2  TYR1963           HE2      TYR1963  13.649 -10.815   3.477
  592    HH   TYR1963           HH       TYR1963  14.156 -13.155   3.229
  593    H    GLU1964           HN       GLU1964   8.373  -9.742  -1.949
  594    HA   GLU1964           HA       GLU1964   8.345 -12.630  -1.651
  595    HB2  GLU1964           HB2      GLU1964   6.220 -11.790  -0.732
  596    HB3  GLU1964           HB1      GLU1964   5.904 -10.957  -2.243
  597    HG2  GLU1964           HG2      GLU1964   5.804 -13.112  -3.396
  598    HG3  GLU1964           HG1      GLU1964   6.115 -13.933  -1.865
  599    H    ASP1965           HN       ASP1965   9.214 -13.359  -3.341
  600    HA   ASP1965           HA       ASP1965   9.895 -13.764  -5.432
  601    HB2  ASP1965           HB2      ASP1965   7.372 -13.864  -5.791
  602    HB3  ASP1965           HB1      ASP1965   7.473 -12.216  -6.400
  603    H    GLN1966           HN       GLN1966  11.051 -11.705  -4.131
  604    HA   GLN1966           HA       GLN1966  12.565 -10.206  -4.322
  605    HB2  GLN1966           HB2      GLN1966  13.057 -11.684  -6.352
  606    HB3  GLN1966           HB1      GLN1966  12.436 -10.341  -7.310
  607    HG2  GLN1966           HG2      GLN1966  14.105  -8.901  -6.559
  608    HG3  GLN1966           HG1      GLN1966  14.436 -10.027  -5.221
  609   HE21  GLN1966          HE21      GLN1966  16.557 -10.013  -5.756
  610   HE22  GLN1966          HE22      GLN1966  17.236 -10.922  -7.077
  611    H    VAL1967           HN       VAL1967   9.620  -9.486  -4.689
  612    HA   VAL1967           HA       VAL1967  10.147  -6.629  -5.203
  613    HB   VAL1967           HB       VAL1967   7.493  -8.124  -5.535
  614   HG11  VAL1967          HG11      VAL1967   7.166  -5.823  -4.859
  615   HG12  VAL1967          HG12      VAL1967   6.654  -6.063  -6.530
  616   HG13  VAL1967          HG13      VAL1967   8.191  -5.269  -6.184
  617   HG21  VAL1967          HG21      VAL1967   7.722  -7.721  -7.936
  618   HG22  VAL1967          HG22      VAL1967   9.031  -8.730  -7.321
  619   HG23  VAL1967          HG23      VAL1967   9.319  -7.023  -7.667
  620    H    LEU1968           HN       LEU1968   9.219  -5.208  -3.622
  621    HA   LEU1968           HA       LEU1968   8.944  -6.503  -1.054
  622    HB2  LEU1968           HB2      LEU1968  10.246  -4.449  -1.180
  623    HB3  LEU1968           HB1      LEU1968   8.895  -3.602  -1.900
  624    HG   LEU1968           HG       LEU1968   7.636  -3.817   0.200
  625   HD11  LEU1968          HD11      LEU1968   8.617  -5.876   1.031
  626   HD12  LEU1968          HD12      LEU1968   8.742  -4.584   2.227
  627   HD13  LEU1968          HD13      LEU1968  10.156  -5.054   1.283
  628   HD21  LEU1968          HD21      LEU1968   8.981  -2.251   1.515
  629   HD22  LEU1968          HD22      LEU1968   8.975  -1.845  -0.207
  630   HD23  LEU1968          HD23      LEU1968  10.380  -2.634   0.506
  631    H    LYS1969           HN       LYS1969   7.019  -7.024  -0.234
  632    HA   LYS1969           HA       LYS1969   4.759  -5.773  -1.547
  633    HB2  LYS1969           HB2      LYS1969   5.022  -8.684  -0.822
  634    HB3  LYS1969           HB1      LYS1969   3.508  -7.925  -1.301
  635    HG2  LYS1969           HG2      LYS1969   4.463  -7.317  -3.454
  636    HG3  LYS1969           HG1      LYS1969   6.008  -8.013  -2.978
  637    HD2  LYS1969           HD2      LYS1969   4.918 -10.213  -2.796
  638    HD3  LYS1969           HD1      LYS1969   3.403  -9.486  -3.346
  639    HE2  LYS1969           HE2      LYS1969   4.425  -8.865  -5.446
  640    HE3  LYS1969           HE1      LYS1969   5.987  -9.458  -4.893
  641    HZ1  LYS1969           HZ1      LYS1969   3.565 -11.120  -5.332
  642    HZ2  LYS1969           HZ2      LYS1969   5.069 -11.717  -4.859
  643    HZ3  LYS1969           HZ3      LYS1969   4.885 -10.997  -6.381
  644    H    LEU1970           HN       LEU1970   3.158  -5.142  -0.500
  645    HA   LEU1970           HA       LEU1970   3.060  -5.449   2.397
  646    HB2  LEU1970           HB2      LEU1970   3.799  -3.224   1.797
  647    HB3  LEU1970           HB1      LEU1970   2.554  -3.123   0.578
  648    HG   LEU1970           HG       LEU1970   0.837  -2.866   2.247
  649   HD11  LEU1970          HD11      LEU1970   3.028  -3.191   4.285
  650   HD12  LEU1970          HD12      LEU1970   1.740  -4.351   3.960
  651   HD13  LEU1970          HD13      LEU1970   1.350  -2.761   4.622
  652   HD21  LEU1970          HD21      LEU1970   1.582  -0.774   3.270
  653   HD22  LEU1970          HD22      LEU1970   1.990  -0.877   1.562
  654   HD23  LEU1970          HD23      LEU1970   3.239  -1.135   2.784
  655    H    VAL1971           HN       VAL1971   1.153  -6.285   2.995
  656    HA   VAL1971           HA       VAL1971  -0.973  -6.206   1.007
  657    HB   VAL1971           HB       VAL1971  -1.823  -8.355   1.834
  658   HG11  VAL1971          HG11      VAL1971   1.036  -8.464   0.899
  659   HG12  VAL1971          HG12      VAL1971  -0.405  -8.352  -0.110
  660   HG13  VAL1971          HG13      VAL1971  -0.111  -9.803   0.847
  661   HG21  VAL1971          HG21      VAL1971   0.712  -8.475   3.493
  662   HG22  VAL1971          HG22      VAL1971  -0.429  -9.803   3.271
  663   HG23  VAL1971          HG23      VAL1971  -0.937  -8.341   4.113
  664    H    TYR1972           HN       TYR1972  -2.797  -5.379   1.591
  665    HA   TYR1972           HA       TYR1972  -3.129  -4.956   4.436
  666    HB2  TYR1972           HB2      TYR1972  -4.235  -3.306   2.140
  667    HB3  TYR1972           HB1      TYR1972  -4.854  -3.187   3.792
  668    HD1  TYR1972           HD2      TYR1972  -2.592  -3.256   5.515
  669    HD2  TYR1972           HD1      TYR1972  -2.921  -1.574   1.632
  670    HE1  TYR1972           HE2      TYR1972  -0.761  -1.687   6.026
  671    HE2  TYR1972           HE1      TYR1972  -1.113  -0.023   2.126
  672    HH   TYR1972           HH       TYR1972  -0.174   0.998   4.170
  673    H    GLU1973           HN       GLU1973  -4.132  -6.334   5.356
  674    HA   GLU1973           HA       GLU1973  -5.858  -8.112   3.894
  675    HB2  GLU1973           HB2      GLU1973  -5.859  -9.419   5.992
  676    HB3  GLU1973           HB1      GLU1973  -4.281  -9.229   5.227
  677    HG2  GLU1973           HG2      GLU1973  -3.697  -7.504   6.850
  678    HG3  GLU1973           HG1      GLU1973  -5.291  -7.623   7.576
  679    H    ASP1974           HN       ASP1974  -7.905  -8.491   4.137
  680    HA   ASP1974           HA       ASP1974 -10.025  -8.379   4.691
  681    HB2  ASP1974           HB2      ASP1974  -9.394  -9.626   6.586
  682    HB3  ASP1974           HB1      ASP1974  -8.788  -8.203   7.416
  683    H    GLY1975           HN       GLY1975 -10.762  -6.741   3.668
  684    HA2  GLY1975           HA2      GLY1975 -11.021  -4.159   5.037
  685    HA3  GLY1975           HA1      GLY1975 -11.397  -4.470   3.340
  686    H    ASP1976           HN       ASP1976 -13.538  -4.077   3.115
  687    HA   ASP1976           HA       ASP1976 -15.236  -5.370   5.094
  688    HB2  ASP1976           HB2      ASP1976 -17.124  -3.953   4.430
  689    HB3  ASP1976           HB1      ASP1976 -15.735  -2.920   4.668
  690    HA   PRO1977           HA       PRO1977 -15.981  -8.929   2.788
  691    HB2  PRO1977           HB2      PRO1977 -18.874  -8.371   3.295
  692    HB3  PRO1977           HB1      PRO1977 -17.963  -9.873   3.510
  693    HG2  PRO1977           HG2      PRO1977 -18.543  -8.372   5.608
  694    HG3  PRO1977           HG1      PRO1977 -16.945  -9.133   5.463
  695    HD2  PRO1977           HD2      PRO1977 -17.734  -6.286   5.073
  696    HD3  PRO1977           HD1      PRO1977 -16.225  -6.964   5.716
  697    H    CYS1978           HN       CYS1978 -15.630  -8.852   0.740
  698    HA   CYS1978           HA       CYS1978 -16.798  -7.077  -1.137
  699    HB2  CYS1978           HB2      CYS1978 -15.339  -9.659  -1.676
  700    HB3  CYS1978           HB1      CYS1978 -15.370  -8.199  -2.666
  701    HA   PRO1979           HA       PRO1979 -20.623  -9.107  -1.997
  702    HB2  PRO1979           HB2      PRO1979 -20.424  -9.280  -4.801
  703    HB3  PRO1979           HB1      PRO1979 -21.230  -8.057  -3.810
  704    HG2  PRO1979           HG2      PRO1979 -18.540  -7.988  -5.100
  705    HG3  PRO1979           HG1      PRO1979 -19.644  -6.647  -4.750
  706    HD2  PRO1979           HD2      PRO1979 -17.409  -7.093  -3.303
  707    HD3  PRO1979           HD1      PRO1979 -18.894  -6.444  -2.571
  708    H    THR1980           HN       THR1980 -17.912 -10.487  -3.863
  709    HA   THR1980           HA       THR1980 -19.298 -13.054  -3.742
  710    HB   THR1980           HB       THR1980 -16.806 -12.342  -5.315
  711    HG1  THR1980           HG1      THR1980 -19.579 -12.121  -5.901
  712   HG21  THR1980          HG21      THR1980 -17.475 -14.228  -6.713
  713   HG22  THR1980          HG22      THR1980 -18.877 -14.518  -5.681
  714   HG23  THR1980          HG23      THR1980 -17.243 -14.754  -5.045
  715    H    ASP1981           HN       ASP1981 -16.937 -11.316  -2.105
  716    HA   ASP1981           HA       ASP1981 -15.558 -13.719  -1.095
  717    HB2  ASP1981           HB2      ASP1981 -14.313 -11.890  -2.608
  718    HB3  ASP1981           HB1      ASP1981 -14.316 -11.002  -1.091
  719    H    LEU1982           HN       LEU1982 -17.499 -13.528   0.253
  720    HA   LEU1982           HA       LEU1982 -17.681 -11.319   2.174
  721    HB2  LEU1982           HB2      LEU1982 -19.473 -13.658   1.586
  722    HB3  LEU1982           HB1      LEU1982 -19.803 -12.419   2.774
  723    HG   LEU1982           HG       LEU1982 -19.416 -11.708  -0.113
  724   HD11  LEU1982          HD11      LEU1982 -21.806 -11.917  -0.390
  725   HD12  LEU1982          HD12      LEU1982 -21.952 -12.559   1.268
  726   HD13  LEU1982          HD13      LEU1982 -21.083 -13.478   0.039
  727   HD21  LEU1982          HD21      LEU1982 -20.962 -10.498   2.169
  728   HD22  LEU1982          HD22      LEU1982 -20.842  -9.841   0.534
  729   HD23  LEU1982          HD23      LEU1982 -19.408  -9.930   1.561
  730    H    LYS1983           HN       LYS1983 -17.701 -14.839   2.109
  731    HA   LYS1983           HA       LYS1983 -17.166 -14.904   4.994
  732    HB2  LYS1983           HB2      LYS1983 -17.990 -17.186   4.959
  733    HB3  LYS1983           HB1      LYS1983 -19.109 -16.101   4.130
  734    HG2  LYS1983           HG2      LYS1983 -18.370 -16.822   2.016
  735    HG3  LYS1983           HG1      LYS1983 -17.115 -17.821   2.753
  736    HD2  LYS1983           HD2      LYS1983 -18.909 -19.306   2.151
  737    HD3  LYS1983           HD1      LYS1983 -18.944 -19.127   3.897
  738    HE2  LYS1983           HE2      LYS1983 -20.750 -17.664   1.953
  739    HE3  LYS1983           HE1      LYS1983 -21.195 -19.114   2.833
  740    HZ1  LYS1983           HZ1      LYS1983 -20.722 -16.382   3.936
  741    HZ2  LYS1983           HZ2      LYS1983 -20.777 -17.712   4.927
  742    HZ3  LYS1983           HZ3      LYS1983 -22.125 -17.304   3.996
  743    H    MET1984           HN       MET1984 -15.467 -14.637   2.472
  744    HA   MET1984           HA       MET1984 -13.235 -16.159   3.368
  745    HB2  MET1984           HB2      MET1984 -12.709 -16.625   0.938
  746    HB3  MET1984           HB1      MET1984 -14.130 -17.494   1.487
  747    HG2  MET1984           HG2      MET1984 -15.549 -15.738   0.408
  748    HG3  MET1984           HG1      MET1984 -14.077 -15.002  -0.211
  749    HE1  MET1984           HE1      MET1984 -12.485 -16.155  -1.990
  750    HE2  MET1984           HE2      MET1984 -12.719 -17.791  -2.614
  751    HE3  MET1984           HE3      MET1984 -12.321 -17.536  -0.910
  752    H    LYS1985           HN       LYS1985 -11.737 -14.679   3.557
  753    HA   LYS1985           HA       LYS1985 -12.177 -12.103   2.203
  754    HB2  LYS1985           HB2      LYS1985 -11.427 -12.418   5.123
  755    HB3  LYS1985           HB1      LYS1985 -11.642 -10.892   4.267
  756    HG2  LYS1985           HG2      LYS1985 -13.990 -11.392   3.900
  757    HG3  LYS1985           HG1      LYS1985 -13.802 -12.959   4.663
  758    HD2  LYS1985           HD2      LYS1985 -13.479 -10.279   6.027
  759    HD3  LYS1985           HD1      LYS1985 -14.909 -11.294   6.107
  760    HE2  LYS1985           HE2      LYS1985 -13.747 -11.673   8.129
  761    HE3  LYS1985           HE1      LYS1985 -13.406 -13.082   7.135
  762    HZ1  LYS1985           HZ1      LYS1985 -11.185 -12.268   6.712
  763    HZ2  LYS1985           HZ2      LYS1985 -11.443 -12.000   8.367
  764    HZ3  LYS1985           HZ3      LYS1985 -11.645 -10.750   7.273
  765    H    HIS1986           HN       HIS1986 -10.387 -10.960   1.630
  766    HA   HIS1986           HA       HIS1986  -7.864 -12.458   1.841
  767    HB2  HIS1986           HB2      HIS1986  -9.118 -11.220  -0.596
  768    HB3  HIS1986           HB1      HIS1986  -7.416 -11.670  -0.519
  769    HD1  HIS1986           HD1      HIS1986 -10.876 -13.157  -0.668
  770    HD2  HIS1986           HD2      HIS1986  -6.904 -14.387  -0.600
  771    HE1  HIS1986           HE1      HIS1986 -10.908 -15.579  -1.210
  772    HE2  HIS1986           HE2      HIS1986  -8.479 -16.159  -1.527
  773    H    LYS1987           HN       LYS1987  -6.262 -10.789   0.381
  774    HA   LYS1987           HA       LYS1987  -6.346  -8.271   1.768
  775    HB2  LYS1987           HB2      LYS1987  -3.764  -8.555   2.019
  776    HB3  LYS1987           HB1      LYS1987  -4.837  -9.269   3.198
  777    HG2  LYS1987           HG2      LYS1987  -3.109 -10.836   2.759
  778    HG3  LYS1987           HG1      LYS1987  -4.571 -11.455   2.006
  779    HD2  LYS1987           HD2      LYS1987  -3.753 -10.588  -0.166
  780    HD3  LYS1987           HD1      LYS1987  -2.261 -10.084   0.634
  781    HE2  LYS1987           HE2      LYS1987  -3.309 -12.913   0.447
  782    HE3  LYS1987           HE1      LYS1987  -2.002 -12.239  -0.514
  783    HZ1  LYS1987           HZ1      LYS1987  -1.136 -13.545   1.267
  784    HZ2  LYS1987           HZ2      LYS1987  -1.990 -12.702   2.430
  785    HZ3  LYS1987           HZ3      LYS1987  -0.713 -11.961   1.601
  786    H    SER1988           HN       SER1988  -5.115  -6.599   0.782
  787    HA   SER1988           HA       SER1988  -5.109  -6.940  -2.084
  788    HB2  SER1988           HB2      SER1988  -4.823  -4.390  -1.946
  789    HB3  SER1988           HB1      SER1988  -6.361  -5.067  -1.380
  790    HG   SER1988           HG       SER1988  -5.926  -4.394   0.569
  791    H    TYR1989           HN       TYR1989  -3.292  -6.838  -3.330
  792    HA   TYR1989           HA       TYR1989  -0.770  -7.071  -1.930
  793    HB2  TYR1989           HB2      TYR1989  -1.488  -7.533  -4.832
  794    HB3  TYR1989           HB1      TYR1989   0.084  -7.827  -4.112
  795    HD1  TYR1989           HD2      TYR1989   0.368  -9.710  -2.520
  796    HD2  TYR1989           HD1      TYR1989  -3.275  -9.086  -4.618
  797    HE1  TYR1989           HE2      TYR1989  -0.336 -12.006  -1.977
  798    HE2  TYR1989           HE1      TYR1989  -3.990 -11.374  -4.070
  799    HH   TYR1989           HH       TYR1989  -2.510 -13.198  -1.721
  800    H    PHE1990           HN       PHE1990   0.146  -5.128  -1.569
  801    HA   PHE1990           HA       PHE1990   0.160  -3.264  -3.807
  802    HB2  PHE1990           HB2      PHE1990  -0.598  -2.661  -1.323
  803    HB3  PHE1990           HB1      PHE1990   1.140  -2.564  -1.055
  804    HD1  PHE1990           HD2      PHE1990   2.438  -1.148  -2.841
  805    HD2  PHE1990           HD1      PHE1990  -1.705  -0.745  -1.998
  806    HE1  PHE1990           HE2      PHE1990   2.481   1.137  -3.740
  807    HE2  PHE1990           HE1      PHE1990  -1.664   1.532  -2.897
  808    HZ   PHE1990           HZ       PHE1990   0.324   2.460  -3.817
  809    H    SER1991           HN       SER1991   1.861  -3.680  -4.998
  810    HA   SER1991           HA       SER1991   4.227  -4.854  -3.803
  811    HB2  SER1991           HB2      SER1991   3.509  -4.364  -6.694
  812    HB3  SER1991           HB1      SER1991   4.906  -5.275  -6.111
  813    HG   SER1991           HG       SER1991   2.429  -5.989  -5.133
  814    H    PHE1992           HN       PHE1992   5.914  -3.717  -3.348
  815    HA   PHE1992           HA       PHE1992   6.199  -1.047  -4.432
  816    HB2  PHE1992           HB2      PHE1992   7.346  -2.384  -1.980
  817    HB3  PHE1992           HB1      PHE1992   7.885  -0.814  -2.569
  818    HD1  PHE1992           HD1      PHE1992   5.155  -2.665  -1.027
  819    HD2  PHE1992           HD2      PHE1992   6.511   1.114  -2.388
  820    HE1  PHE1992           HE1      PHE1992   3.317  -1.577   0.156
  821    HE2  PHE1992           HE2      PHE1992   4.673   2.209  -1.200
  822    HZ   PHE1992           HZ       PHE1992   3.068   0.858   0.075
  823    H    VAL1993           HN       VAL1993   7.476  -0.865  -5.986
  824    HA   VAL1993           HA       VAL1993   9.708  -2.700  -6.263
  825    HB   VAL1993           HB       VAL1993   8.091  -3.569  -7.791
  826   HG11  VAL1993          HG11      VAL1993   6.523  -1.727  -7.811
  827   HG12  VAL1993          HG12      VAL1993   6.906  -2.222  -9.458
  828   HG13  VAL1993          HG13      VAL1993   7.632  -0.759  -8.785
  829   HG21  VAL1993          HG21      VAL1993   9.074  -3.180  -9.992
  830   HG22  VAL1993          HG22      VAL1993  10.340  -3.337  -8.757
  831   HG23  VAL1993          HG23      VAL1993   9.866  -1.740  -9.365
  832    H    CYS1994           HN       CYS1994  11.563  -1.705  -6.568
  833    HA   CYS1994           HA       CYS1994  11.678   1.095  -6.661
  834    HB2  CYS1994           HB2      CYS1994  14.209   0.476  -7.089
  835    HB3  CYS1994           HB1      CYS1994  13.465   0.234  -5.514
  836    H    LYS1995           HN       LYS1995  11.972   2.453  -8.260
  837    HA   LYS1995           HA       LYS1995  11.558   1.358 -10.946
  838    HB2  LYS1995           HB2      LYS1995   9.854   2.913  -9.943
  839    HB3  LYS1995           HB1      LYS1995  11.081   4.161  -9.900
  840    HG2  LYS1995           HG2      LYS1995  11.200   4.102 -12.361
  841    HG3  LYS1995           HG1      LYS1995   9.956   2.854 -12.367
  842    HD2  LYS1995           HD2      LYS1995   8.361   4.369 -11.381
  843    HD3  LYS1995           HD1      LYS1995   9.602   5.606 -11.186
  844    HE2  LYS1995           HE2      LYS1995   9.831   5.764 -13.619
  845    HE3  LYS1995           HE1      LYS1995   8.611   4.506 -13.821
  846    HZ1  LYS1995           HZ1      LYS1995   8.099   7.066 -12.417
  847    HZ2  LYS1995           HZ2      LYS1995   6.936   5.945 -12.965
  848    HZ3  LYS1995           HZ3      LYS1995   7.837   6.877 -14.056
  849    H    SER1996           HN       SER1996  12.834   2.131 -12.672
  850    HA   SER1996           HA       SER1996  15.539   2.674 -12.046
  851    HB2  SER1996           HB2      SER1996  14.146   3.046 -14.707
  852    HB3  SER1996           HB1      SER1996  15.851   2.680 -14.432
  853    HG   SER1996           HG       SER1996  14.914   0.694 -13.319
  854    H    ASP1997           HN       ASP1997  12.798   4.590 -12.854
  855    HA   ASP1997           HA       ASP1997  14.327   7.063 -12.894
  856    HB2  ASP1997           HB2      ASP1997  12.458   6.708 -14.502
  857    HB3  ASP1997           HB1      ASP1997  11.341   6.666 -13.145
  858    H    ALA1998           HN       ALA1998  11.112   6.654 -11.386
  859    HA   ALA1998           HA       ALA1998  10.257   7.041  -9.407
  860    HB1  ALA1998           HB1      ALA1998  12.999   6.497  -8.284
  861    HB2  ALA1998           HB2      ALA1998  11.802   5.274  -8.691
  862    HB3  ALA1998           HB3      ALA1998  11.467   6.437  -7.397
  863    H    GLY1999           HN       GLY1999  12.018   9.100 -10.924
  864    HA2  GLY1999           HA2      GLY1999  12.456  10.966  -8.790
  865    HA3  GLY1999           HA1      GLY1999  13.007  11.142 -10.456
  866    H    ASP2000           HN       ASP2000  10.293  10.083 -11.165
  867    HA   ASP2000           HA       ASP2000   8.913  12.338 -11.877
  868    HB2  ASP2000           HB2      ASP2000   6.874  10.833 -11.987
  869    HB3  ASP2000           HB1      ASP2000   8.286  10.241 -12.847
  870    H    ASP2001           HN       ASP2001   8.545  10.443  -8.956
  871    HA   ASP2001           HA       ASP2001   7.990  12.386  -7.079
  872    HB2  ASP2001           HB2      ASP2001   5.952  12.872  -8.514
  873    HB3  ASP2001           HB1      ASP2001   5.406  11.232  -8.193
  874    H    SER2002           HN       SER2002   7.284   9.376  -8.521
  875    HA   SER2002           HA       SER2002   7.430   7.325  -8.027
  876    HB2  SER2002           HB2      SER2002   7.976   6.319  -5.835
  877    HB3  SER2002           HB1      SER2002   9.097   7.630  -6.158
  878    HG   SER2002           HG       SER2002   7.419   8.869  -4.903
  879    H    GLN2003           HN       GLN2003   5.577   7.341  -8.896
  880    HA   GLN2003           HA       GLN2003   3.241   7.775  -7.299
  881    HB2  GLN2003           HB2      GLN2003   2.011   7.451  -9.435
  882    HB3  GLN2003           HB1      GLN2003   3.185   8.755  -9.440
  883    HG2  GLN2003           HG2      GLN2003   4.774   7.308 -10.652
  884    HG3  GLN2003           HG1      GLN2003   3.567   6.028 -10.673
  885   HE21  GLN2003          HE21      GLN2003   1.744   6.266 -11.960
  886   HE22  GLN2003          HE22      GLN2003   1.634   7.428 -13.221
  887    HA   PRO2004           HA       PRO2004   2.236   3.485  -6.689
  888    HB2  PRO2004           HB2      PRO2004  -0.232   4.271  -5.491
  889    HB3  PRO2004           HB1      PRO2004   1.259   3.842  -4.654
  890    HG2  PRO2004           HG2      PRO2004   0.106   6.374  -4.674
  891    HG3  PRO2004           HG1      PRO2004   1.794   6.016  -4.266
  892    HD2  PRO2004           HD2      PRO2004   0.626   7.011  -6.827
  893    HD3  PRO2004           HD1      PRO2004   2.165   7.438  -6.048
  894    H    VAL2005           HN       VAL2005   1.634   2.530  -8.547
  895    HA   VAL2005           HA       VAL2005  -0.584   3.633 -10.075
  896    HB   VAL2005           HB       VAL2005   1.386   1.445 -10.809
  897   HG11  VAL2005          HG11      VAL2005   0.626   1.789 -13.113
  898   HG12  VAL2005          HG12      VAL2005  -0.573   2.950 -12.542
  899   HG13  VAL2005          HG13      VAL2005  -0.690   1.258 -12.067
  900   HG21  VAL2005          HG21      VAL2005   2.467   3.142 -12.218
  901   HG22  VAL2005          HG22      VAL2005   2.520   3.572 -10.508
  902   HG23  VAL2005          HG23      VAL2005   1.365   4.362 -11.581
  903    H    PHE2006           HN       PHE2006  -2.484   2.634 -10.249
  904    HA   PHE2006           HA       PHE2006  -2.832   0.105  -8.875
  905    HB2  PHE2006           HB2      PHE2006  -5.278   0.540  -9.077
  906    HB3  PHE2006           HB1      PHE2006  -4.444   1.837  -8.247
  907    HD1  PHE2006           HD2      PHE2006  -4.019   3.998  -9.520
  908    HD2  PHE2006           HD1      PHE2006  -6.579   0.926 -10.985
  909    HE1  PHE2006           HE2      PHE2006  -5.083   5.610 -11.042
  910    HE2  PHE2006           HE1      PHE2006  -7.650   2.536 -12.504
  911    HZ   PHE2006           HZ       PHE2006  -6.901   4.882 -12.533
  912    H    LEU2007           HN       LEU2007  -2.880  -1.728  -9.958
  913    HA   LEU2007           HA       LEU2007  -2.898  -1.556 -12.860
  914    HB2  LEU2007           HB2      LEU2007  -2.103  -3.795 -10.997
  915    HB3  LEU2007           HB1      LEU2007  -2.237  -4.014 -12.722
  916    HG   LEU2007           HG       LEU2007  -0.432  -2.297 -13.020
  917   HD11  LEU2007          HD11      LEU2007  -0.631  -1.096 -10.929
  918   HD12  LEU2007          HD12      LEU2007   1.000  -1.752 -11.113
  919   HD13  LEU2007          HD13      LEU2007  -0.149  -2.536 -10.037
  920   HD21  LEU2007          HD21      LEU2007   0.258  -4.721 -11.374
  921   HD22  LEU2007          HD22      LEU2007   1.388  -3.790 -12.355
  922   HD23  LEU2007          HD23      LEU2007   0.064  -4.660 -13.128
  923    H    SER2008           HN       SER2008  -4.396  -3.579 -10.343
  924    HA   SER2008           HA       SER2008  -6.817  -3.623 -11.909
  925    HB2  SER2008           HB2      SER2008  -5.310  -5.494 -12.749
  926    HB3  SER2008           HB1      SER2008  -5.434  -6.207 -11.144
  927    HG   SER2008           HG       SER2008  -7.185  -6.104 -13.219
  928    H    PHE2009           HN       PHE2009  -8.564  -3.939 -10.611
  929    HA   PHE2009           HA       PHE2009  -8.068  -4.703  -7.818
  930    HB2  PHE2009           HB2      PHE2009  -8.658  -2.237  -8.144
  931    HB3  PHE2009           HB1      PHE2009 -10.193  -2.768  -8.811
  932    HD1  PHE2009           HD2      PHE2009 -11.593  -4.346  -7.250
  933    HD2  PHE2009           HD1      PHE2009  -8.528  -1.736  -5.864
  934    HE1  PHE2009           HE2      PHE2009 -12.563  -4.405  -4.986
  935    HE2  PHE2009           HE1      PHE2009  -9.487  -1.796  -3.603
  936    HZ   PHE2009           HZ       PHE2009 -11.500  -3.046  -3.156
  937    H    ASP2010           HN       ASP2010  -8.986  -6.644  -7.584
  938    HA   ASP2010           HA       ASP2010 -11.324  -7.258  -9.241
  939    HB2  ASP2010           HB2      ASP2010  -9.472  -8.853  -9.429
  940    HB3  ASP2010           HB1      ASP2010  -9.513  -9.113  -7.687
  941    H    GLU2011           HN       GLU2011 -13.184  -6.972  -8.238
  942    HA   GLU2011           HA       GLU2011 -13.196  -6.978  -5.324
  943    HB2  GLU2011           HB2      GLU2011 -15.431  -5.997  -5.498
  944    HB3  GLU2011           HB1      GLU2011 -14.240  -5.073  -6.403
  945    HG2  GLU2011           HG2      GLU2011 -15.015  -6.113  -8.471
  946    HG3  GLU2011           HG1      GLU2011 -16.214  -7.023  -7.553
  947    H    GLN2012           HN       GLN2012 -13.406  -9.323  -7.492
  948    HA   GLN2012           HA       GLN2012 -15.863 -10.543  -6.659
  949    HB2  GLN2012           HB2      GLN2012 -14.852 -10.863  -8.951
  950    HB3  GLN2012           HB1      GLN2012 -13.584 -11.815  -8.193
  951    HG2  GLN2012           HG2      GLN2012 -15.229 -13.408  -7.396
  952    HG3  GLN2012           HG1      GLN2012 -16.521 -12.441  -8.095
  953   HE21  GLN2012          HE21      GLN2012 -13.401 -13.117  -9.612
  954   HE22  GLN2012          HE22      GLN2012 -14.054 -14.052 -10.896
  955    H    THR2013           HN       THR2013 -12.425 -11.390  -6.349
  956    HA   THR2013           HA       THR2013 -13.185 -12.558  -3.779
  957    HB   THR2013           HB       THR2013 -12.572 -14.308  -5.463
  958    HG1  THR2013           HG1      THR2013 -11.952 -14.263  -3.060
  959   HG21  THR2013          HG21      THR2013  -9.836 -13.021  -5.392
  960   HG22  THR2013          HG22      THR2013 -10.929 -13.062  -6.775
  961   HG23  THR2013          HG23      THR2013 -10.222 -14.559  -6.164
  962    H    CYS2014           HN       CYS2014 -12.343  -9.914  -4.617
  963    HA   CYS2014           HA       CYS2014 -10.911  -8.315  -4.294
  964    HB2  CYS2014           HB2      CYS2014 -11.413  -9.332  -1.546
  965    HB3  CYS2014           HB1      CYS2014 -10.386  -7.915  -1.801
  966    H    THR2015           HN       THR2015  -9.498  -9.197  -5.633
  967    HA   THR2015           HA       THR2015  -6.906  -9.503  -4.330
  968    HB   THR2015           HB       THR2015  -7.724 -10.616  -7.035
  969    HG1  THR2015           HG1      THR2015  -8.414 -11.456  -4.659
  970   HG21  THR2015          HG21      THR2015  -5.653 -11.917  -6.816
  971   HG22  THR2015          HG22      THR2015  -5.327 -11.137  -5.267
  972   HG23  THR2015          HG23      THR2015  -5.311 -10.188  -6.752
  973    H    SER2016           HN       SER2016  -6.359  -7.433  -4.347
  974    HA   SER2016           HA       SER2016  -6.629  -5.907  -6.821
  975    HB2  SER2016           HB2      SER2016  -6.076  -4.945  -4.014
  976    HB3  SER2016           HB1      SER2016  -6.520  -3.961  -5.413
  977    HG   SER2016           HG       SER2016  -8.218  -4.738  -3.777
  978    H    TYR2017           HN       TYR2017  -4.849  -5.121  -7.815
  979    HA   TYR2017           HA       TYR2017  -2.238  -5.739  -6.623
  980    HB2  TYR2017           HB2      TYR2017  -3.012  -5.721  -9.548
  981    HB3  TYR2017           HB1      TYR2017  -1.386  -5.954  -8.935
  982    HD1  TYR2017           HD2      TYR2017  -0.844  -8.033  -7.663
  983    HD2  TYR2017           HD1      TYR2017  -4.565  -7.500  -9.648
  984    HE1  TYR2017           HE2      TYR2017  -1.224 -10.464  -7.586
  985    HE2  TYR2017           HE1      TYR2017  -4.959  -9.921  -9.576
  986    HH   TYR2017           HH       TYR2017  -3.637 -11.952  -9.428
  987    H    PHE2018           HN       PHE2018  -1.360  -3.935  -5.990
  988    HA   PHE2018           HA       PHE2018  -1.525  -1.596  -7.762
  989    HB2  PHE2018           HB2      PHE2018  -1.202  -1.564  -4.748
  990    HB3  PHE2018           HB1      PHE2018  -1.361  -0.166  -5.799
  991    HD1  PHE2018           HD2      PHE2018  -3.589  -0.181  -7.258
  992    HD2  PHE2018           HD1      PHE2018  -3.054  -2.244  -3.577
  993    HE1  PHE2018           HE2      PHE2018  -6.024  -0.219  -6.931
  994    HE2  PHE2018           HE1      PHE2018  -5.487  -2.285  -3.239
  995    HZ   PHE2018           HZ       PHE2018  -6.972  -1.250  -4.872
  996    H    SER2019           HN       SER2019   0.473  -0.435  -7.925
  997    HA   SER2019           HA       SER2019   2.775  -1.737  -6.709
  998    HB2  SER2019           HB2      SER2019   2.493  -1.242  -9.672
  999    HB3  SER2019           HB1      SER2019   3.959  -1.814  -8.874
 1000    HG   SER2019           HG       SER2019   1.837  -3.270  -8.139
 1001    H    TRP2020           HN       TRP2020   3.909  -0.277  -5.746
 1002    HA   TRP2020           HA       TRP2020   3.827   2.501  -6.683
 1003    HB2  TRP2020           HB2      TRP2020   3.308   1.867  -4.245
 1004    HB3  TRP2020           HB1      TRP2020   5.005   1.443  -4.108
 1005    HD1  TRP2020           HD1      TRP2020   6.144   4.060  -5.697
 1006    HE1  TRP2020           HE1      TRP2020   6.092   6.331  -4.466
 1007    HE3  TRP2020           HE3      TRP2020   2.583   3.052  -2.186
 1008    HZ2  TRP2020           HZ2      TRP2020   4.758   7.526  -2.358
 1009    HZ3  TRP2020           HZ3      TRP2020   1.987   4.823  -0.599
 1010    HH2  TRP2020           HH2      TRP2020   3.048   7.011  -0.682
 1011    H    HIS2021           HN       HIS2021   5.440   3.091  -7.862
 1012    HA   HIS2021           HA       HIS2021   7.883   1.524  -7.885
 1013    HB2  HIS2021           HB2      HIS2021   6.994   3.814  -9.661
 1014    HB3  HIS2021           HB1      HIS2021   8.470   2.886  -9.865
 1015    HD1  HIS2021           HD1      HIS2021   8.267   0.592 -11.057
 1016    HD2  HIS2021           HD2      HIS2021   4.618   2.480 -10.384
 1017    HE1  HIS2021           HE1      HIS2021   6.594  -0.660 -12.408
 1018    HE2  HIS2021           HE2      HIS2021   4.621   0.873 -12.357
 1019    H    THR2022           HN       THR2022   8.986   2.100  -6.093
 1020    HA   THR2022           HA       THR2022   9.750   4.896  -5.824
 1021    HB   THR2022           HB       THR2022   7.842   4.695  -4.319
 1022    HG1  THR2022           HG1      THR2022   9.682   5.895  -3.620
 1023   HG21  THR2022          HG21      THR2022   7.847   3.132  -2.413
 1024   HG22  THR2022          HG22      THR2022   9.349   2.419  -3.007
 1025   HG23  THR2022          HG23      THR2022   7.867   2.266  -3.952
 1026    H    SER2023           HN       SER2023  11.682   5.226  -4.674
 1027    HA   SER2023           HA       SER2023  13.505   3.042  -4.829
 1028    HB2  SER2023           HB2      SER2023  13.885   5.858  -3.791
 1029    HB3  SER2023           HB1      SER2023  15.169   4.705  -4.185
 1030    HG   SER2023           HG       SER2023  13.880   4.671  -6.313
 1031    H    LEU2024           HN       LEU2024  11.320   4.109  -2.452
 1032    HA   LEU2024           HA       LEU2024  12.904   3.337  -0.166
 1033    HB2  LEU2024           HB2      LEU2024   9.981   4.023  -0.472
 1034    HB3  LEU2024           HB1      LEU2024  10.621   3.410   1.034
 1035    HG   LEU2024           HG       LEU2024  10.389   5.768   1.197
 1036   HD11  LEU2024          HD11      LEU2024  13.283   5.038   0.886
 1037   HD12  LEU2024          HD12      LEU2024  12.285   4.843   2.326
 1038   HD13  LEU2024          HD13      LEU2024  12.666   6.459   1.728
 1039   HD21  LEU2024          HD21      LEU2024  12.134   5.993  -1.254
 1040   HD22  LEU2024          HD22      LEU2024  11.584   7.342  -0.261
 1041   HD23  LEU2024          HD23      LEU2024  10.415   6.374  -1.160
 1042    H    ALA2025           HN       ALA2025  11.206   1.747  -2.502
 1043    HA   ALA2025           HA       ALA2025  10.253  -0.513  -1.055
 1044    HB1  ALA2025           HB1      ALA2025  10.868  -0.165  -3.972
 1045    HB2  ALA2025           HB2      ALA2025   9.324   0.175  -3.188
 1046    HB3  ALA2025           HB3      ALA2025   9.935  -1.479  -3.259
 1047    H    CYS2026           HN       CYS2026  12.947  -0.057  -3.309
 1048    HA   CYS2026           HA       CYS2026  14.538  -1.854  -1.804
 1049    HB2  CYS2026           HB2      CYS2026  15.053  -3.104  -4.089
 1050    HB3  CYS2026           HB1      CYS2026  13.761  -3.630  -3.022
 1051    H    GLU2027           HN       GLU2027  16.748  -2.135  -3.115
 1052    HA   GLU2027           HA       GLU2027  17.627   0.623  -3.587
 1053    HB2  GLU2027           HB2      GLU2027  19.148  -1.900  -2.849
 1054    HB3  GLU2027           HB1      GLU2027  19.821  -0.278  -2.928
 1055    HG2  GLU2027           HG2      GLU2027  17.670  -1.138  -0.999
 1056    HG3  GLU2027           HG1      GLU2027  19.392  -1.124  -0.630
 1057    H    GLU2028           HN       GLU2028  16.246  -0.713  -5.490
 1058    HA   GLU2028           HA       GLU2028  16.112  -1.574  -7.487
 1059    HB2  GLU2028           HB2      GLU2028  18.836  -0.354  -7.718
 1060    HB3  GLU2028           HB1      GLU2028  18.140  -1.319  -9.009
 1061    HG2  GLU2028           HG2      GLU2028  17.723   0.989  -9.512
 1062    HG3  GLU2028           HG1      GLU2028  16.195   0.260  -9.044
 1063    H    GLU2029           HN       GLU2029  15.725  -3.679  -7.171
 1064    HA   GLU2029           HA       GLU2029  18.005  -5.377  -7.589
 1065    HB2  GLU2029           HB2      GLU2029  17.403  -5.413  -5.101
 1066    HB3  GLU2029           HB1      GLU2029  15.815  -6.014  -5.564
 1067    HG2  GLU2029           HG2      GLU2029  16.777  -8.019  -6.485
 1068    HG3  GLU2029           HG1      GLU2029  18.402  -7.403  -6.236
 1069    H    VAL2030           HN       VAL2030  17.532  -5.804  -9.525
 1070    HA   VAL2030           HA       VAL2030  14.787  -6.041 -10.289
 1071    HB   VAL2030           HB       VAL2030  16.105  -4.548 -11.618
 1072   HG11  VAL2030          HG11      VAL2030  17.974  -5.250 -13.012
 1073   HG12  VAL2030          HG12      VAL2030  17.916  -6.841 -12.255
 1074   HG13  VAL2030          HG13      VAL2030  18.296  -5.417 -11.285
 1075   HG21  VAL2030          HG21      VAL2030  14.350  -5.712 -12.826
 1076   HG22  VAL2030          HG22      VAL2030  15.456  -7.032 -13.208
 1077   HG23  VAL2030          HG23      VAL2030  15.727  -5.428 -13.893
 1078    HA   PRO2031           HA       PRO2031  14.696 -10.415  -9.923
 1079    HB2  PRO2031           HB2      PRO2031  12.430 -10.085 -11.809
 1080    HB3  PRO2031           HB1      PRO2031  12.454 -10.818 -10.202
 1081    HG2  PRO2031           HG2      PRO2031  11.354  -8.393 -10.613
 1082    HG3  PRO2031           HG1      PRO2031  12.233  -8.775  -9.123
 1083    HD2  PRO2031           HD2      PRO2031  13.218  -7.163 -11.485
 1084    HD3  PRO2031           HD1      PRO2031  13.458  -6.955  -9.736
 1085    H    ARG2032           HN       ARG2032  14.339  -8.843 -13.041
 1086    HA   ARG2032           HA       ARG2032  15.090  -9.240 -15.128
 1087    HB2  ARG2032           HB2      ARG2032  17.118 -10.933 -13.680
 1088    HB3  ARG2032           HB1      ARG2032  17.242 -10.447 -15.366
 1089    HG2  ARG2032           HG2      ARG2032  17.480  -8.147 -14.734
 1090    HG3  ARG2032           HG1      ARG2032  17.148  -8.534 -13.042
 1091    HD2  ARG2032           HD2      ARG2032  19.037  -9.927 -12.967
 1092    HD3  ARG2032           HD1      ARG2032  19.487  -9.543 -14.650
 1093    HE   ARG2032           HE       ARG2032  19.334  -7.529 -12.499
 1094   HH11  ARG2032          HH11      ARG2032  21.290  -8.983 -15.143
 1095   HH12  ARG2032          HH12      ARG2032  22.608  -7.938 -14.858
 1096   HH21  ARG2032          HH21      ARG2032  21.201  -6.157 -12.169
 1097   HH22  ARG2032          HH22      ARG2032  22.534  -6.255 -13.199
  Start of MODEL   19
    1    H1   MET1885           HT1      MET1885  13.925  11.900   1.553
    2    H2   MET1885           HT2      MET1885  14.652  12.128   3.066
    3    H3   MET1885           HT3      MET1885  12.982  12.147   2.920
    4    HA   MET1885           HA       MET1885  12.893   9.862   2.395
    5    HB2  MET1885           HB2      MET1885  15.905   9.953   2.740
    6    HB3  MET1885           HB1      MET1885  14.959   8.478   2.630
    7    HG2  MET1885           HG2      MET1885  14.267   9.114   0.357
    8    HG3  MET1885           HG1      MET1885  15.257  10.565   0.483
    9    HE1  MET1885           HE1      MET1885  15.258   6.631   0.274
   10    HE2  MET1885           HE2      MET1885  16.064   6.921   1.814
   11    HE3  MET1885           HE3      MET1885  16.974   6.262   0.454
   12    H    LYS1886           HN       LYS1886  12.601   8.411   4.052
   13    HA   LYS1886           HA       LYS1886  12.203   7.702   6.092
   14    HB2  LYS1886           HB2      LYS1886  14.821   9.033   6.790
   15    HB3  LYS1886           HB1      LYS1886  13.907   8.045   7.919
   16    HG2  LYS1886           HG2      LYS1886  14.090   6.156   6.316
   17    HG3  LYS1886           HG1      LYS1886  15.141   7.165   5.322
   18    HD2  LYS1886           HD2      LYS1886  16.747   7.330   7.135
   19    HD3  LYS1886           HD1      LYS1886  15.671   6.420   8.198
   20    HE2  LYS1886           HE2      LYS1886  15.838   4.485   6.705
   21    HE3  LYS1886           HE1      LYS1886  16.916   5.397   5.650
   22    HZ1  LYS1886           HZ1      LYS1886  18.505   5.533   7.461
   23    HZ2  LYS1886           HZ2      LYS1886  18.142   3.937   7.081
   24    HZ3  LYS1886           HZ3      LYS1886  17.485   4.617   8.471
   25    H    SER1887           HN       SER1887  10.352   8.987   6.031
   26    HA   SER1887           HA       SER1887  10.416  11.377   7.637
   27    HB2  SER1887           HB2      SER1887   9.072  11.391   5.593
   28    HB3  SER1887           HB1      SER1887   8.125  10.032   6.181
   29    HG   SER1887           HG       SER1887   8.117  12.725   7.030
   30    H    ASN1888           HN       ASN1888   8.723   8.193   7.802
   31    HA   ASN1888           HA       ASN1888   8.247   8.698  10.660
   32    HB2  ASN1888           HB2      ASN1888   6.213   8.700   9.238
   33    HB3  ASN1888           HB1      ASN1888   6.620   7.098   8.671
   34   HD21  ASN1888          HD21      ASN1888   4.270   8.110   9.926
   35   HD22  ASN1888          HD22      ASN1888   3.985   7.199  11.358
   36    H    VAL1889           HN       VAL1889   8.785   7.102  12.028
   37    HA   VAL1889           HA       VAL1889   9.907   4.668  10.873
   38    HB   VAL1889           HB       VAL1889  11.777   5.952  11.770
   39   HG11  VAL1889          HG11      VAL1889  10.632   7.380  13.351
   40   HG12  VAL1889          HG12      VAL1889  11.980   6.553  14.133
   41   HG13  VAL1889          HG13      VAL1889  10.325   6.002  14.409
   42   HG21  VAL1889          HG21      VAL1889  11.094   3.640  13.587
   43   HG22  VAL1889          HG22      VAL1889  12.697   4.348  13.393
   44   HG23  VAL1889          HG23      VAL1889  11.919   3.543  12.031
   45    H    GLN1890           HN       GLN1890   8.621   3.067  11.228
   46    HA   GLN1890           HA       GLN1890   7.131   2.987  13.741
   47    HB2  GLN1890           HB2      GLN1890   6.707   1.484  11.167
   48    HB3  GLN1890           HB1      GLN1890   5.877   1.054  12.653
   49    HG2  GLN1890           HG2      GLN1890   5.691   3.689  11.209
   50    HG3  GLN1890           HG1      GLN1890   4.477   2.418  11.203
   51   HE21  GLN1890          HE21      GLN1890   5.871   5.032  12.948
   52   HE22  GLN1890          HE22      GLN1890   4.756   5.050  14.247
   53    H    ASN1891           HN       ASN1891   9.635   1.426  11.990
   54    HA   ASN1891           HA       ASN1891  11.274   0.037  12.622
   55    HB2  ASN1891           HB2      ASN1891  11.302   1.087  14.833
   56    HB3  ASN1891           HB1      ASN1891   9.982   0.064  15.369
   57   HD21  ASN1891          HD21      ASN1891  10.422  -2.054  15.985
   58   HD22  ASN1891          HD22      ASN1891  12.029  -2.642  16.209
   59    H    ASP1892           HN       ASP1892   8.007  -0.992  13.061
   60    HA   ASP1892           HA       ASP1892   8.862  -3.753  13.030
   61    HB2  ASP1892           HB2      ASP1892   6.514  -4.351  13.418
   62    HB3  ASP1892           HB1      ASP1892   7.129  -3.240  14.629
   63    H    CYS1893           HN       CYS1893   6.780  -1.673  10.946
   64    HA   CYS1893           HA       CYS1893   6.842  -3.784   9.011
   65    HB2  CYS1893           HB2      CYS1893   5.625  -2.325   7.463
   66    HB3  CYS1893           HB1      CYS1893   4.858  -2.366   9.041
   67    H    ARG1894           HN       ARG1894   9.030  -4.066   8.952
   68    HA   ARG1894           HA       ARG1894  10.189  -2.826   6.663
   69    HB2  ARG1894           HB2      ARG1894  12.380  -2.478   7.817
   70    HB3  ARG1894           HB1      ARG1894  11.127  -1.363   8.329
   71    HG2  ARG1894           HG2      ARG1894  10.805  -2.682  10.369
   72    HG3  ARG1894           HG1      ARG1894  12.077  -3.790   9.840
   73    HD2  ARG1894           HD2      ARG1894  12.826  -2.047  11.468
   74    HD3  ARG1894           HD1      ARG1894  13.727  -2.068   9.956
   75    HE   ARG1894           HE       ARG1894  11.665  -0.264   9.591
   76   HH11  ARG1894          HH11      ARG1894  14.346  -0.399  11.915
   77   HH12  ARG1894          HH12      ARG1894  14.587   1.289  11.881
   78   HH21  ARG1894          HH21      ARG1894  11.973   1.877   9.573
   79   HH22  ARG1894          HH22      ARG1894  13.212   2.679  10.473
   80    H    VAL1895           HN       VAL1895  11.856  -4.160   5.835
   81    HA   VAL1895           HA       VAL1895  12.253  -6.701   7.138
   82    HB   VAL1895           HB       VAL1895  10.116  -6.895   5.799
   83   HG11  VAL1895          HG11      VAL1895  11.902  -6.573   3.416
   84   HG12  VAL1895          HG12      VAL1895  10.608  -5.491   3.933
   85   HG13  VAL1895          HG13      VAL1895  10.226  -7.121   3.375
   86   HG21  VAL1895          HG21      VAL1895  11.400  -8.855   6.390
   87   HG22  VAL1895          HG22      VAL1895  12.373  -8.686   4.930
   88   HG23  VAL1895          HG23      VAL1895  10.645  -9.054   4.813
   89    H    THR1896           HN       THR1896  14.108  -7.744   6.327
   90    HA   THR1896           HA       THR1896  15.795  -5.960   4.728
   91    HB   THR1896           HB       THR1896  16.620  -8.355   6.388
   92    HG1  THR1896           HG1      THR1896  15.523  -6.196   7.188
   93   HG21  THR1896          HG21      THR1896  18.811  -7.226   6.378
   94   HG22  THR1896          HG22      THR1896  18.138  -5.923   5.398
   95   HG23  THR1896          HG23      THR1896  18.273  -7.549   4.729
   96    H    ASN1897           HN       ASN1897  16.473  -6.618   2.745
   97    HA   ASN1897           HA       ASN1897  15.681  -9.306   1.890
   98    HB2  ASN1897           HB2      ASN1897  14.875  -7.555   0.393
   99    HB3  ASN1897           HB1      ASN1897  16.483  -6.860   0.276
  100   HD21  ASN1897          HD21      ASN1897  16.386  -7.038  -2.027
  101   HD22  ASN1897          HD22      ASN1897  16.579  -8.541  -2.821
  102    HA   PRO1898           HA       PRO1898  19.962 -10.258   2.780
  103    HB2  PRO1898           HB2      PRO1898  19.801 -12.851   1.895
  104    HB3  PRO1898           HB1      PRO1898  19.311 -12.317   3.506
  105    HG2  PRO1898           HG2      PRO1898  17.633 -12.799   1.078
  106    HG3  PRO1898           HG1      PRO1898  17.318 -13.246   2.766
  107    HD2  PRO1898           HD2      PRO1898  16.139 -11.136   1.646
  108    HD3  PRO1898           HD1      PRO1898  16.671 -11.103   3.340
  109    H    ALA1899           HN       ALA1899  18.357 -10.443  -0.258
  110    HA   ALA1899           HA       ALA1899  20.631 -11.150  -1.822
  111    HB1  ALA1899           HB1      ALA1899  18.098  -9.746  -2.636
  112    HB2  ALA1899           HB2      ALA1899  18.357 -11.490  -2.623
  113    HB3  ALA1899           HB3      ALA1899  19.280 -10.470  -3.726
  114    H    THR1900           HN       THR1900  19.217  -8.124  -0.712
  115    HA   THR1900           HA       THR1900  21.236  -6.592  -2.126
  116    HB   THR1900           HB       THR1900  19.859  -4.615  -1.131
  117    HG1  THR1900           HG1      THR1900  17.804  -5.252  -0.396
  118   HG21  THR1900          HG21      THR1900  19.567  -5.477  -3.423
  119   HG22  THR1900          HG22      THR1900  18.053  -4.934  -2.699
  120   HG23  THR1900          HG23      THR1900  18.415  -6.658  -2.806
  121    H    GLY1901           HN       GLY1901  20.281  -7.707   1.004
  122    HA2  GLY1901           HA2      GLY1901  21.515  -7.919   2.936
  123    HA3  GLY1901           HA1      GLY1901  22.825  -7.012   2.180
  124    H    HIS1902           HN       HIS1902  19.987  -5.497   1.647
  125    HA   HIS1902           HA       HIS1902  20.560  -3.607   3.784
  126    HB2  HIS1902           HB2      HIS1902  19.679  -3.040   0.941
  127    HB3  HIS1902           HB1      HIS1902  19.668  -1.824   2.215
  128    HD1  HIS1902           HD1      HIS1902  21.459  -0.622   0.417
  129    HD2  HIS1902           HD2      HIS1902  22.824  -3.960   2.501
  130    HE1  HIS1902           HE1      HIS1902  23.917  -0.577   0.240
  131    HE2  HIS1902           HE2      HIS1902  24.683  -2.737   1.203
  132    H    LEU1903           HN       LEU1903  18.722  -2.204   4.314
  133    HA   LEU1903           HA       LEU1903  16.497  -3.972   5.005
  134    HB2  LEU1903           HB2      LEU1903  17.699  -2.954   6.835
  135    HB3  LEU1903           HB1      LEU1903  17.490  -1.365   6.143
  136    HG   LEU1903           HG       LEU1903  15.030  -1.584   6.549
  137   HD11  LEU1903          HD11      LEU1903  14.257  -3.284   8.115
  138   HD12  LEU1903          HD12      LEU1903  15.850  -4.038   8.082
  139   HD13  LEU1903          HD13      LEU1903  14.863  -3.999   6.621
  140   HD21  LEU1903          HD21      LEU1903  16.506  -0.358   8.061
  141   HD22  LEU1903          HD22      LEU1903  16.805  -1.837   8.975
  142   HD23  LEU1903          HD23      LEU1903  15.189  -1.132   8.934
  143    H    PHE1904           HN       PHE1904  14.472  -3.602   4.304
  144    HA   PHE1904           HA       PHE1904  13.957  -1.210   2.703
  145    HB2  PHE1904           HB2      PHE1904  12.402  -3.794   2.976
  146    HB3  PHE1904           HB1      PHE1904  11.926  -2.434   1.986
  147    HD1  PHE1904           HD2      PHE1904  15.080  -2.151   1.147
  148    HD2  PHE1904           HD1      PHE1904  12.092  -5.174   1.026
  149    HE1  PHE1904           HE2      PHE1904  16.191  -3.176  -0.794
  150    HE2  PHE1904           HE1      PHE1904  13.151  -6.195  -0.890
  151    HZ   PHE1904           HZ       PHE1904  15.237  -5.206  -1.828
  152    H    ASP1905           HN       ASP1905  12.823   0.340   3.706
  153    HA   ASP1905           HA       ASP1905  10.575  -0.391   5.367
  154    HB2  ASP1905           HB2      ASP1905  12.435  -0.013   7.036
  155    HB3  ASP1905           HB1      ASP1905  12.629   1.612   6.393
  156    H    LEU1906           HN       LEU1906   8.963   0.738   4.722
  157    HA   LEU1906           HA       LEU1906   9.331   2.923   2.891
  158    HB2  LEU1906           HB2      LEU1906   6.815   1.690   4.014
  159    HB3  LEU1906           HB1      LEU1906   6.883   2.847   2.697
  160    HG   LEU1906           HG       LEU1906   8.160   0.117   2.579
  161   HD11  LEU1906          HD11      LEU1906   5.751  -0.094   2.785
  162   HD12  LEU1906          HD12      LEU1906   6.298  -0.502   1.155
  163   HD13  LEU1906          HD13      LEU1906   5.538   1.058   1.463
  164   HD21  LEU1906          HD21      LEU1906   7.564   2.161   0.441
  165   HD22  LEU1906          HD22      LEU1906   8.255   0.561   0.176
  166   HD23  LEU1906          HD23      LEU1906   9.158   1.771   1.086
  167    H    THR1907           HN       THR1907  10.439   4.037   4.571
  168    HA   THR1907           HA       THR1907   9.388   4.940   6.969
  169    HB   THR1907           HB       THR1907  11.222   6.733   6.606
  170    HG1  THR1907           HG1      THR1907  12.320   4.980   4.756
  171   HG21  THR1907          HG21      THR1907  12.971   5.087   7.147
  172   HG22  THR1907          HG22      THR1907  11.900   3.782   6.635
  173   HG23  THR1907          HG23      THR1907  11.491   4.755   8.049
  174    H    SER1908           HN       SER1908   9.704   6.687   3.918
  175    HA   SER1908           HA       SER1908   8.297   8.951   4.992
  176    HB2  SER1908           HB2      SER1908   9.318   8.434   2.213
  177    HB3  SER1908           HB1      SER1908   8.717   9.977   2.829
  178    HG   SER1908           HG       SER1908  10.705  10.224   3.268
  179    H    LEU1909           HN       LEU1909   7.228   6.100   3.791
  180    HA   LEU1909           HA       LEU1909   5.060   7.229   2.240
  181    HB2  LEU1909           HB2      LEU1909   6.379   5.077   1.713
  182    HB3  LEU1909           HB1      LEU1909   5.376   4.349   2.959
  183    HG   LEU1909           HG       LEU1909   3.374   4.806   1.686
  184   HD11  LEU1909          HD11      LEU1909   4.073   6.936   0.710
  185   HD12  LEU1909          HD12      LEU1909   3.542   5.815  -0.548
  186   HD13  LEU1909          HD13      LEU1909   5.263   6.095  -0.285
  187   HD21  LEU1909          HD21      LEU1909   4.622   2.755   1.188
  188   HD22  LEU1909          HD22      LEU1909   5.551   3.622  -0.033
  189   HD23  LEU1909          HD23      LEU1909   3.816   3.384  -0.249
  190    H    LYS1910           HN       LYS1910   5.674   5.995   5.387
  191    HA   LYS1910           HA       LYS1910   2.865   5.991   6.067
  192    HB2  LYS1910           HB2      LYS1910   3.913   5.547   8.450
  193    HB3  LYS1910           HB1      LYS1910   3.779   4.264   7.264
  194    HG2  LYS1910           HG2      LYS1910   6.122   4.518   6.703
  195    HG3  LYS1910           HG1      LYS1910   6.255   5.879   7.821
  196    HD2  LYS1910           HD2      LYS1910   5.867   4.508   9.698
  197    HD3  LYS1910           HD1      LYS1910   5.315   3.172   8.692
  198    HE2  LYS1910           HE2      LYS1910   8.120   4.251   8.631
  199    HE3  LYS1910           HE1      LYS1910   7.610   2.928   9.680
  200    HZ1  LYS1910           HZ1      LYS1910   7.067   1.609   7.734
  201    HZ2  LYS1910           HZ2      LYS1910   8.644   2.226   7.592
  202    HZ3  LYS1910           HZ3      LYS1910   7.411   2.934   6.724
  203    H    ARG1911           HN       ARG1911   1.880   7.460   7.435
  204    HA   ARG1911           HA       ARG1911   3.312   9.727   8.377
  205    HB2  ARG1911           HB2      ARG1911   2.173  11.328   6.828
  206    HB3  ARG1911           HB1      ARG1911   3.361  10.294   6.043
  207    HG2  ARG1911           HG2      ARG1911   1.422   8.810   5.374
  208    HG3  ARG1911           HG1      ARG1911   0.366  10.114   5.913
  209    HD2  ARG1911           HD2      ARG1911   2.521  10.364   3.826
  210    HD3  ARG1911           HD1      ARG1911   0.808  10.154   3.492
  211    HE   ARG1911           HE       ARG1911   0.889  12.353   5.077
  212   HH11  ARG1911          HH11      ARG1911   2.708  11.522   2.149
  213   HH12  ARG1911          HH12      ARG1911   2.618  13.061   1.450
  214   HH21  ARG1911          HH21      ARG1911   0.713  14.507   4.111
  215   HH22  ARG1911          HH22      ARG1911   1.393  14.797   2.573
  216    H    GLU1912           HN       GLU1912   1.319  11.533   8.633
  217    HA   GLU1912           HA       GLU1912  -0.477  10.079  10.386
  218    HB2  GLU1912           HB2      GLU1912   0.199  13.006  10.237
  219    HB3  GLU1912           HB1      GLU1912  -1.000  12.330  11.334
  220    HG2  GLU1912           HG2      GLU1912   1.917  11.572  11.267
  221    HG3  GLU1912           HG1      GLU1912   1.174  12.686  12.416
  222    H    SER1913           HN       SER1913  -0.707  11.015   7.287
  223    HA   SER1913           HA       SER1913  -3.583  11.357   7.615
  224    HB2  SER1913           HB2      SER1913  -3.488  12.545   5.375
  225    HB3  SER1913           HB1      SER1913  -2.743  13.396   6.728
  226    HG   SER1913           HG       SER1913  -1.156  13.507   5.341
  227    H    GLY1914           HN       GLY1914  -1.931  10.765   4.589
  228    HA2  GLY1914           HA2      GLY1914  -2.226   8.007   4.350
  229    HA3  GLY1914           HA1      GLY1914  -3.719   8.765   3.764
  230    H    TYR1915           HN       TYR1915  -2.879   7.705   1.695
  231    HA   TYR1915           HA       TYR1915  -1.432   9.722   0.198
  232    HB2  TYR1915           HB2      TYR1915   0.129   7.762   1.076
  233    HB3  TYR1915           HB1      TYR1915  -0.652   6.853  -0.214
  234    HD1  TYR1915           HD1      TYR1915   1.547   9.723   0.523
  235    HD2  TYR1915           HD2      TYR1915  -0.199   7.286  -2.487
  236    HE1  TYR1915           HE1      TYR1915   3.118  10.645  -1.133
  237    HE2  TYR1915           HE2      TYR1915   1.356   8.199  -4.150
  238    HH   TYR1915           HH       TYR1915   4.061  10.079  -3.209
  239    H    THR1916           HN       THR1916  -2.162   9.896  -1.856
  240    HA   THR1916           HA       THR1916  -4.356   8.072  -2.664
  241    HB   THR1916           HB       THR1916  -5.332   9.918  -1.309
  242    HG1  THR1916           HG1      THR1916  -6.372   8.990  -3.184
  243   HG21  THR1916          HG21      THR1916  -5.259  12.215  -2.217
  244   HG22  THR1916          HG22      THR1916  -4.109  11.654  -3.438
  245   HG23  THR1916          HG23      THR1916  -3.661  11.624  -1.738
  246    H    ILE1917           HN       ILE1917  -4.962   7.928  -4.389
  247    HA   ILE1917           HA       ILE1917  -3.651   9.156  -6.668
  248    HB   ILE1917           HB       ILE1917  -3.715   6.916  -7.698
  249   HG12  ILE1917          HG12      ILE1917  -3.683   5.890  -4.861
  250   HG13  ILE1917          HG11      ILE1917  -5.017   5.735  -5.992
  251   HG21  ILE1917          HG21      ILE1917  -1.642   7.988  -7.247
  252   HG22  ILE1917          HG22      ILE1917  -1.470   6.271  -6.886
  253   HG23  ILE1917          HG23      ILE1917  -1.674   7.435  -5.574
  254   HD11  ILE1917          HD11      ILE1917  -3.769   3.658  -5.802
  255   HD12  ILE1917          HD12      ILE1917  -2.291   4.481  -6.301
  256   HD13  ILE1917          HD13      ILE1917  -3.636   4.317  -7.429
  257    H    THR1918           HN       THR1918  -4.902   8.186  -8.679
  258    HA   THR1918           HA       THR1918  -7.728   8.455  -8.087
  259    HB   THR1918           HB       THR1918  -6.354   8.118 -10.780
  260    HG1  THR1918           HG1      THR1918  -6.564  10.258  -9.024
  261   HG21  THR1918          HG21      THR1918  -8.799   7.754 -10.776
  262   HG22  THR1918          HG22      THR1918  -8.368   9.229 -11.645
  263   HG23  THR1918          HG23      THR1918  -9.027   9.328 -10.012
  264    H    ASP1919           HN       ASP1919  -9.229   6.807  -8.518
  265    HA   ASP1919           HA       ASP1919  -8.201   4.101  -8.594
  266    HB2  ASP1919           HB2      ASP1919  -9.932   4.561  -6.951
  267    HB3  ASP1919           HB1      ASP1919 -10.951   5.330  -8.154
  268    H    SER1920           HN       SER1920  -9.907   2.664 -10.054
  269    HA   SER1920           HA       SER1920  -9.422   3.343 -12.766
  270    HB2  SER1920           HB2      SER1920 -11.356   1.338 -11.580
  271    HB3  SER1920           HB1      SER1920 -10.709   1.332 -13.227
  272    HG   SER1920           HG       SER1920  -8.707   1.495 -11.495
  273    H    HIS1921           HN       HIS1921 -11.907   4.006 -10.471
  274    HA   HIS1921           HA       HIS1921 -13.794   5.010 -12.458
  275    HB2  HIS1921           HB2      HIS1921 -13.897   4.792  -9.431
  276    HB3  HIS1921           HB1      HIS1921 -15.166   5.528 -10.390
  277    HD1  HIS1921           HD1      HIS1921 -16.868   3.737  -9.514
  278    HD2  HIS1921           HD2      HIS1921 -13.661   2.152 -11.644
  279    HE1  HIS1921           HE1      HIS1921 -17.488   1.378 -10.021
  280    HE2  HIS1921           HE2      HIS1921 -15.685   0.600 -11.601
  281    H    ASN1922           HN       ASN1922 -14.826   7.224 -11.186
  282    HA   ASN1922           HA       ASN1922 -12.844   9.252 -11.566
  283    HB2  ASN1922           HB2      ASN1922 -15.640   9.247 -10.508
  284    HB3  ASN1922           HB1      ASN1922 -14.677  10.707 -10.586
  285   HD21  ASN1922          HD21      ASN1922 -14.147  11.516 -12.653
  286   HD22  ASN1922          HD22      ASN1922 -14.972  11.054 -14.087
  287    H    ARG1923           HN       ARG1923 -14.397   7.746  -8.952
  288    HA   ARG1923           HA       ARG1923 -13.641   9.102  -6.692
  289    HB2  ARG1923           HB2      ARG1923 -13.901   7.021  -5.481
  290    HB3  ARG1923           HB1      ARG1923 -15.125   7.169  -6.739
  291    HG2  ARG1923           HG2      ARG1923 -13.811   5.698  -8.179
  292    HG3  ARG1923           HG1      ARG1923 -12.620   5.523  -6.892
  293    HD2  ARG1923           HD2      ARG1923 -14.330   4.544  -5.457
  294    HD3  ARG1923           HD1      ARG1923 -15.515   4.721  -6.757
  295    HE   ARG1923           HE       ARG1923 -13.189   3.287  -7.580
  296   HH11  ARG1923          HH11      ARG1923 -16.387   2.958  -6.131
  297   HH12  ARG1923          HH12      ARG1923 -16.418   1.258  -6.282
  298   HH21  ARG1923          HH21      ARG1923 -13.234   1.028  -7.828
  299   HH22  ARG1923          HH22      ARG1923 -14.600   0.107  -7.341
  300    H    LYS1924           HN       LYS1924 -12.036   8.412  -5.014
  301    HA   LYS1924           HA       LYS1924  -9.431   8.133  -6.340
  302    HB2  LYS1924           HB2      LYS1924  -8.508   9.513  -4.554
  303    HB3  LYS1924           HB1      LYS1924  -9.779  10.351  -5.426
  304    HG2  LYS1924           HG2      LYS1924 -11.350   9.791  -3.593
  305    HG3  LYS1924           HG1      LYS1924 -10.010   9.059  -2.710
  306    HD2  LYS1924           HD2      LYS1924  -8.848  11.213  -2.723
  307    HD3  LYS1924           HD1      LYS1924 -10.200  11.931  -3.593
  308    HE2  LYS1924           HE2      LYS1924 -10.439  12.489  -1.287
  309    HE3  LYS1924           HE1      LYS1924 -11.671  11.293  -1.685
  310    HZ1  LYS1924           HZ1      LYS1924  -9.098  10.756  -0.333
  311    HZ2  LYS1924           HZ2      LYS1924 -10.320   9.577  -0.583
  312    HZ3  LYS1924           HZ3      LYS1924 -10.568  10.888   0.441
  313    H    ILE1925           HN       ILE1925  -7.876   6.904  -5.433
  314    HA   ILE1925           HA       ILE1925  -8.665   5.010  -3.353
  315    HB   ILE1925           HB       ILE1925  -6.161   5.161  -5.091
  316   HG12  ILE1925          HG12      ILE1925  -8.423   3.201  -5.158
  317   HG13  ILE1925          HG11      ILE1925  -8.257   4.552  -6.280
  318   HG21  ILE1925          HG21      ILE1925  -7.042   3.016  -3.158
  319   HG22  ILE1925          HG22      ILE1925  -5.697   4.133  -2.927
  320   HG23  ILE1925          HG23      ILE1925  -5.634   2.930  -4.216
  321   HD11  ILE1925          HD11      ILE1925  -6.356   2.206  -5.998
  322   HD12  ILE1925          HD12      ILE1925  -6.133   3.556  -7.099
  323   HD13  ILE1925          HD13      ILE1925  -7.491   2.455  -7.324
  324    H    GLU1926           HN       GLU1926  -7.952   5.391  -1.318
  325    HA   GLU1926           HA       GLU1926  -5.764   7.265  -0.953
  326    HB2  GLU1926           HB2      GLU1926  -8.268   8.184  -0.979
  327    HB3  GLU1926           HB1      GLU1926  -8.251   7.562   0.662
  328    HG2  GLU1926           HG2      GLU1926  -6.213   9.497  -0.369
  329    HG3  GLU1926           HG1      GLU1926  -7.741   9.995   0.339
  330    H    LEU1927           HN       LEU1927  -4.435   6.093   0.201
  331    HA   LEU1927           HA       LEU1927  -5.401   4.500   2.392
  332    HB2  LEU1927           HB2      LEU1927  -3.961   2.510   1.400
  333    HB3  LEU1927           HB1      LEU1927  -5.621   2.757   0.966
  334    HG   LEU1927           HG       LEU1927  -4.914   3.860  -1.131
  335   HD11  LEU1927          HD11      LEU1927  -2.707   4.622  -0.530
  336   HD12  LEU1927          HD12      LEU1927  -2.711   3.619  -1.980
  337   HD13  LEU1927          HD13      LEU1927  -2.139   2.944  -0.445
  338   HD21  LEU1927          HD21      LEU1927  -5.564   1.596  -1.152
  339   HD22  LEU1927          HD22      LEU1927  -3.955   1.071  -0.651
  340   HD23  LEU1927          HD23      LEU1927  -4.193   1.798  -2.241
  341    H    ASN1928           HN       ASN1928  -3.836   4.021   3.926
  342    HA   ASN1928           HA       ASN1928  -1.343   5.426   3.355
  343    HB2  ASN1928           HB2      ASN1928  -2.793   6.401   5.267
  344    HB3  ASN1928           HB1      ASN1928  -2.318   4.969   6.182
  345   HD21  ASN1928          HD21      ASN1928  -0.307   6.576   3.864
  346   HD22  ASN1928          HD22      ASN1928   0.919   7.115   4.948
  347    H    VAL1929           HN       VAL1929   0.473   4.434   3.527
  348    HA   VAL1929           HA       VAL1929   0.337   1.574   4.044
  349    HB   VAL1929           HB       VAL1929   2.228   3.251   2.383
  350   HG11  VAL1929          HG11      VAL1929   3.351   1.158   1.789
  351   HG12  VAL1929          HG12      VAL1929   2.369   0.297   2.977
  352   HG13  VAL1929          HG13      VAL1929   3.521   1.524   3.506
  353   HG21  VAL1929          HG21      VAL1929   0.309   1.040   1.680
  354   HG22  VAL1929          HG22      VAL1929   1.382   1.875   0.552
  355   HG23  VAL1929          HG23      VAL1929   0.086   2.760   1.360
  356    H    CYS1930           HN       CYS1930   1.291   0.784   5.707
  357    HA   CYS1930           HA       CYS1930   2.767   0.366   7.379
  358    HB2  CYS1930           HB2      CYS1930   4.295   2.239   5.772
  359    HB3  CYS1930           HB1      CYS1930   4.671   2.372   7.482
  360    H    ALA1931           HN       ALA1931   0.625   2.638   7.315
  361    HA   ALA1931           HA       ALA1931   0.853   3.122  10.102
  362    HB1  ALA1931           HB1      ALA1931   0.819   5.418   8.132
  363    HB2  ALA1931           HB2      ALA1931   2.150   5.014   9.215
  364    HB3  ALA1931           HB3      ALA1931   0.607   5.565   9.876
  365    H    GLU1932           HN       GLU1932  -1.092   3.994  10.846
  366    HA   GLU1932           HA       GLU1932  -3.406   2.794   9.874
  367    HB2  GLU1932           HB2      GLU1932  -3.525   5.364  11.434
  368    HB3  GLU1932           HB1      GLU1932  -4.593   3.982  11.520
  369    HG2  GLU1932           HG2      GLU1932  -3.455   3.967  13.527
  370    HG3  GLU1932           HG1      GLU1932  -2.619   2.748  12.572
  371    H    ALA1933           HN       ALA1933  -5.020   3.497   8.476
  372    HA   ALA1933           HA       ALA1933  -4.476   5.818   6.880
  373    HB1  ALA1933           HB1      ALA1933  -6.545   5.291   5.679
  374    HB2  ALA1933           HB2      ALA1933  -6.943   4.073   6.892
  375    HB3  ALA1933           HB3      ALA1933  -5.539   3.851   5.849
  376    H    LYS1934           HN       LYS1934  -4.519   7.505   8.089
  377    HA   LYS1934           HA       LYS1934  -6.762   8.044   9.873
  378    HB2  LYS1934           HB2      LYS1934  -3.979   9.163   9.633
  379    HB3  LYS1934           HB1      LYS1934  -5.204   9.931  10.643
  380    HG2  LYS1934           HG2      LYS1934  -5.312   8.161  12.113
  381    HG3  LYS1934           HG1      LYS1934  -4.693   7.011  10.937
  382    HD2  LYS1934           HD2      LYS1934  -3.066   9.194  12.239
  383    HD3  LYS1934           HD1      LYS1934  -3.105   7.508  12.772
  384    HE2  LYS1934           HE2      LYS1934  -2.451   6.929  10.370
  385    HE3  LYS1934           HE1      LYS1934  -2.051   8.634  10.198
  386    HZ1  LYS1934           HZ1      LYS1934  -0.921   6.821  12.240
  387    HZ2  LYS1934           HZ2      LYS1934  -0.400   8.425  11.923
  388    HZ3  LYS1934           HZ3      LYS1934  -0.165   7.224  10.782
  389    H    SER1935           HN       SER1935  -6.926   8.179   7.050
  390    HA   SER1935           HA       SER1935  -8.334  10.639   6.899
  391    HB2  SER1935           HB2      SER1935  -6.129   9.906   4.952
  392    HB3  SER1935           HB1      SER1935  -7.347  11.143   4.636
  393    HG   SER1935           HG       SER1935  -6.104  11.344   7.054
  394    H    SER1936           HN       SER1936  -9.813  10.559   5.015
  395    HA   SER1936           HA       SER1936 -11.449   9.653   3.897
  396    HB2  SER1936           HB2      SER1936  -9.513   7.388   3.411
  397    HB3  SER1936           HB1      SER1936 -11.052   7.589   2.570
  398    HG   SER1936           HG       SER1936  -8.702   9.081   2.441
  399    H    CYS1937           HN       CYS1937 -10.199   6.721   5.551
  400    HA   CYS1937           HA       CYS1937 -12.920   6.046   6.129
  401    HB2  CYS1937           HB2      CYS1937 -10.364   4.624   6.919
  402    HB3  CYS1937           HB1      CYS1937 -11.974   4.017   7.273
  403    H    ALA1938           HN       ALA1938 -10.211   5.850   8.506
  404    HA   ALA1938           HA       ALA1938 -11.183   7.942  10.127
  405    HB1  ALA1938           HB1      ALA1938 -11.793   5.157  11.103
  406    HB2  ALA1938           HB2      ALA1938 -12.995   6.425  10.775
  407    HB3  ALA1938           HB3      ALA1938 -11.811   6.591  12.091
  408    H    ASN1939           HN       ASN1939 -10.041   4.889  11.481
  409    HA   ASN1939           HA       ASN1939  -7.586   6.221  11.900
  410    HB2  ASN1939           HB2      ASN1939  -8.851   6.450  13.913
  411    HB3  ASN1939           HB1      ASN1939  -9.154   4.717  13.972
  412   HD21  ASN1939          HD21      ASN1939  -7.614   3.377  14.834
  413   HD22  ASN1939          HD22      ASN1939  -6.148   4.012  15.477
  414    H    GLY1940           HN       GLY1940  -8.842   2.978  12.696
  415    HA2  GLY1940           HA2      GLY1940  -6.236   1.818  12.338
  416    HA3  GLY1940           HA1      GLY1940  -7.685   0.993  12.860
  417    H    ALA1941           HN       ALA1941  -8.110   2.644   9.997
  418    HA   ALA1941           HA       ALA1941  -8.266   0.175   8.494
  419    HB1  ALA1941           HB1      ALA1941  -8.780   3.040   7.689
  420    HB2  ALA1941           HB2      ALA1941  -9.994   1.884   8.235
  421    HB3  ALA1941           HB3      ALA1941  -9.145   1.618   6.712
  422    H    ALA1942           HN       ALA1942  -7.305   0.451   6.111
  423    HA   ALA1942           HA       ALA1942  -4.822   1.942   6.192
  424    HB1  ALA1942           HB1      ALA1942  -3.540   0.075   5.295
  425    HB2  ALA1942           HB2      ALA1942  -4.964  -0.959   5.407
  426    HB3  ALA1942           HB3      ALA1942  -4.222  -0.318   6.871
  427    H    VAL1943           HN       VAL1943  -6.734  -0.281   4.162
  428    HA   VAL1943           HA       VAL1943  -6.129   1.394   1.835
  429    HB   VAL1943           HB       VAL1943  -7.583  -1.267   1.963
  430   HG11  VAL1943          HG11      VAL1943  -8.208   0.061   0.012
  431   HG12  VAL1943          HG12      VAL1943  -7.266  -1.354  -0.449
  432   HG13  VAL1943          HG13      VAL1943  -6.507   0.234  -0.421
  433   HG21  VAL1943          HG21      VAL1943  -5.268  -1.509   2.622
  434   HG22  VAL1943          HG22      VAL1943  -4.750  -0.657   1.165
  435   HG23  VAL1943          HG23      VAL1943  -5.542  -2.227   1.036
  436    H    CYS1944           HN       CYS1944  -7.543   2.999   1.401
  437    HA   CYS1944           HA       CYS1944 -10.350   2.419   1.889
  438    HB2  CYS1944           HB2      CYS1944  -8.887   5.022   2.321
  439    HB3  CYS1944           HB1      CYS1944 -10.632   4.807   2.439
  440    H    ILE1945           HN       ILE1945 -11.541   2.549   0.156
  441    HA   ILE1945           HA       ILE1945 -10.564   4.037  -2.181
  442    HB   ILE1945           HB       ILE1945 -12.817   1.994  -2.003
  443   HG12  ILE1945          HG12      ILE1945 -10.681   0.878  -1.554
  444   HG13  ILE1945          HG11      ILE1945 -11.314   0.381  -3.115
  445   HG21  ILE1945          HG21      ILE1945 -13.099   3.548  -3.838
  446   HG22  ILE1945          HG22      ILE1945 -12.699   1.943  -4.452
  447   HG23  ILE1945          HG23      ILE1945 -11.464   3.203  -4.410
  448   HD11  ILE1945          HD11      ILE1945  -9.733   1.885  -4.224
  449   HD12  ILE1945          HD12      ILE1945  -8.907   0.716  -3.191
  450   HD13  ILE1945          HD13      ILE1945  -9.114   2.383  -2.650
  451    H    THR1946           HN       THR1946 -11.398   6.100  -2.055
  452    HA   THR1946           HA       THR1946 -13.794   6.442  -0.473
  453    HB   THR1946           HB       THR1946 -12.603   8.824  -1.770
  454    HG1  THR1946           HG1      THR1946 -11.175   7.123   0.025
  455   HG21  THR1946          HG21      THR1946 -13.239   8.076   1.100
  456   HG22  THR1946          HG22      THR1946 -14.331   8.907  -0.003
  457   HG23  THR1946          HG23      THR1946 -12.834   9.687   0.513
  458    H    ASP1947           HN       ASP1947 -15.527   5.803  -1.656
  459    HA   ASP1947           HA       ASP1947 -15.763   6.683  -4.425
  460    HB2  ASP1947           HB2      ASP1947 -16.313   4.288  -3.680
  461    HB3  ASP1947           HB1      ASP1947 -17.687   4.971  -2.822
  462    H    GLY1948           HN       GLY1948 -16.208   8.806  -4.281
  463    HA2  GLY1948           HA2      GLY1948 -17.412  10.702  -3.886
  464    HA3  GLY1948           HA1      GLY1948 -18.743   9.677  -3.339
  465    HA   PRO1949           HA       PRO1949 -17.244  11.229   0.619
  466    HB2  PRO1949           HB2      PRO1949 -19.865  11.178   1.679
  467    HB3  PRO1949           HB1      PRO1949 -19.020  12.584   1.033
  468    HG2  PRO1949           HG2      PRO1949 -21.293  11.372  -0.083
  469    HG3  PRO1949           HG1      PRO1949 -20.233  12.544  -0.884
  470    HD2  PRO1949           HD2      PRO1949 -20.289   9.570  -1.104
  471    HD3  PRO1949           HD1      PRO1949 -19.917  10.790  -2.347
  472    H    LYS1950           HN       LYS1950 -18.449   8.293  -0.373
  473    HA   LYS1950           HA       LYS1950 -18.584   7.187   2.342
  474    HB2  LYS1950           HB2      LYS1950 -20.601   6.901   0.881
  475    HB3  LYS1950           HB1      LYS1950 -19.611   5.966  -0.227
  476    HG2  LYS1950           HG2      LYS1950 -19.241   4.285   1.486
  477    HG3  LYS1950           HG1      LYS1950 -20.173   5.242   2.641
  478    HD2  LYS1950           HD2      LYS1950 -22.134   5.060   1.146
  479    HD3  LYS1950           HD1      LYS1950 -21.190   4.021   0.081
  480    HE2  LYS1950           HE2      LYS1950 -21.857   3.439   2.966
  481    HE3  LYS1950           HE1      LYS1950 -22.675   2.746   1.572
  482    HZ1  LYS1950           HZ1      LYS1950 -19.834   2.322   2.367
  483    HZ2  LYS1950           HZ2      LYS1950 -20.523   1.797   0.904
  484    HZ3  LYS1950           HZ3      LYS1950 -21.101   1.188   2.348
  485    H    THR1951           HN       THR1951 -16.777   6.289   2.936
  486    HA   THR1951           HA       THR1951 -14.847   5.555   0.923
  487    HB   THR1951           HB       THR1951 -14.434   5.441   3.897
  488    HG1  THR1951           HG1      THR1951 -15.214   7.464   3.601
  489   HG21  THR1951          HG21      THR1951 -12.680   6.099   1.531
  490   HG22  THR1951          HG22      THR1951 -12.703   4.566   2.401
  491   HG23  THR1951          HG23      THR1951 -12.160   6.032   3.215
  492    H    LEU1952           HN       LEU1952 -14.603   3.554   0.267
  493    HA   LEU1952           HA       LEU1952 -15.736   1.282   1.683
  494    HB2  LEU1952           HB2      LEU1952 -16.079   1.458  -0.726
  495    HB3  LEU1952           HB1      LEU1952 -14.357   1.617  -0.990
  496    HG   LEU1952           HG       LEU1952 -14.064  -0.723  -0.204
  497   HD11  LEU1952          HD11      LEU1952 -16.013  -2.181  -0.054
  498   HD12  LEU1952          HD12      LEU1952 -17.070  -0.779  -0.232
  499   HD13  LEU1952          HD13      LEU1952 -16.034  -0.929   1.186
  500   HD21  LEU1952          HD21      LEU1952 -14.200  -0.215  -2.576
  501   HD22  LEU1952          HD22      LEU1952 -15.959  -0.338  -2.512
  502   HD23  LEU1952          HD23      LEU1952 -14.965  -1.767  -2.229
  503    H    ASN1953           HN       ASN1953 -14.475   0.006   2.938
  504    HA   ASN1953           HA       ASN1953 -11.610   0.547   2.930
  505    HB2  ASN1953           HB2      ASN1953 -12.620   0.736   5.106
  506    HB3  ASN1953           HB1      ASN1953 -13.399  -0.833   4.936
  507   HD21  ASN1953          HD21      ASN1953 -10.406   0.813   5.472
  508   HD22  ASN1953          HD22      ASN1953  -9.548  -0.578   6.055
  509    H    ALA1954           HN       ALA1954 -10.235  -0.842   2.061
  510    HA   ALA1954           HA       ALA1954 -11.282  -3.509   1.413
  511    HB1  ALA1954           HB1      ALA1954 -10.782  -2.131  -0.556
  512    HB2  ALA1954           HB2      ALA1954  -9.763  -3.570  -0.482
  513    HB3  ALA1954           HB3      ALA1954  -9.106  -1.997  -0.026
  514    H    GLY1955           HN       GLY1955  -9.577  -2.263   3.747
  515    HA2  GLY1955           HA2      GLY1955  -8.410  -4.592   4.609
  516    HA3  GLY1955           HA1      GLY1955  -7.156  -3.745   3.711
  517    H    LYS1956           HN       LYS1956  -7.603  -4.376   6.624
  518    HA   LYS1956           HA       LYS1956  -7.746  -1.721   7.837
  519    HB2  LYS1956           HB2      LYS1956  -7.737  -2.882   9.948
  520    HB3  LYS1956           HB1      LYS1956  -8.828  -3.761   8.884
  521    HG2  LYS1956           HG2      LYS1956  -7.032  -5.383   8.424
  522    HG3  LYS1956           HG1      LYS1956  -5.992  -4.520   9.554
  523    HD2  LYS1956           HD2      LYS1956  -7.722  -4.958  11.321
  524    HD3  LYS1956           HD1      LYS1956  -8.548  -5.996  10.153
  525    HE2  LYS1956           HE2      LYS1956  -5.733  -6.332  11.175
  526    HE3  LYS1956           HE1      LYS1956  -7.125  -7.318  11.611
  527    HZ1  LYS1956           HZ1      LYS1956  -5.580  -8.250   9.888
  528    HZ2  LYS1956           HZ2      LYS1956  -6.165  -7.095   8.808
  529    HZ3  LYS1956           HZ3      LYS1956  -7.207  -8.251   9.461
  530    H    LEU1957           HN       LEU1957  -5.948  -1.314   9.562
  531    HA   LEU1957           HA       LEU1957  -3.467  -1.243   8.262
  532    HB2  LEU1957           HB2      LEU1957  -4.035   0.479   9.840
  533    HB3  LEU1957           HB1      LEU1957  -4.300  -0.666  11.117
  534    HG   LEU1957           HG       LEU1957  -2.260   0.825  11.323
  535   HD11  LEU1957          HD11      LEU1957  -0.744  -0.884  12.173
  536   HD12  LEU1957          HD12      LEU1957  -1.718  -2.127  11.388
  537   HD13  LEU1957          HD13      LEU1957  -2.411  -1.155  12.684
  538   HD21  LEU1957          HD21      LEU1957  -1.197  -0.920   9.107
  539   HD22  LEU1957          HD22      LEU1957  -0.230   0.155  10.115
  540   HD23  LEU1957          HD23      LEU1957  -1.464   0.829   9.044
  541    H    SER1958           HN       SER1958  -2.179  -2.792   7.892
  542    HA   SER1958           HA       SER1958  -1.670  -4.874   9.884
  543    HB2  SER1958           HB2      SER1958  -2.980  -5.753   7.922
  544    HB3  SER1958           HB1      SER1958  -1.738  -5.130   6.846
  545    HG   SER1958           HG       SER1958  -1.056  -7.053   7.046
  546    H    LYS1959           HN       LYS1959   0.261  -4.182  10.662
  547    HA   LYS1959           HA       LYS1959   2.011  -2.870   8.764
  548    HB2  LYS1959           HB2      LYS1959   1.248  -1.420  10.518
  549    HB3  LYS1959           HB1      LYS1959   1.759  -2.558  11.751
  550    HG2  LYS1959           HG2      LYS1959   3.969  -1.950  11.506
  551    HG3  LYS1959           HG1      LYS1959   3.712  -1.292   9.887
  552    HD2  LYS1959           HD2      LYS1959   4.009   0.462  11.654
  553    HD3  LYS1959           HD1      LYS1959   2.503   0.585  10.752
  554    HE2  LYS1959           HE2      LYS1959   2.041   0.985  13.064
  555    HE3  LYS1959           HE1      LYS1959   1.354  -0.570  12.616
  556    HZ1  LYS1959           HZ1      LYS1959   2.410  -0.813  14.724
  557    HZ2  LYS1959           HZ2      LYS1959   3.804  -0.057  14.210
  558    HZ3  LYS1959           HZ3      LYS1959   3.449  -1.586  13.629
  559    H    THR1960           HN       THR1960   2.739  -4.762   7.948
  560    HA   THR1960           HA       THR1960   5.124  -5.679   9.246
  561    HB   THR1960           HB       THR1960   3.401  -7.362   9.932
  562    HG1  THR1960           HG1      THR1960   4.489  -9.189   8.567
  563   HG21  THR1960          HG21      THR1960   3.020  -7.807   6.958
  564   HG22  THR1960          HG22      THR1960   1.829  -7.124   8.066
  565   HG23  THR1960          HG23      THR1960   2.327  -8.808   8.236
  566    H    LEU1961           HN       LEU1961   6.607  -6.561   7.507
  567    HA   LEU1961           HA       LEU1961   5.646  -5.772   4.838
  568    HB2  LEU1961           HB2      LEU1961   7.029  -4.021   6.039
  569    HB3  LEU1961           HB1      LEU1961   8.377  -5.129   5.936
  570    HG   LEU1961           HG       LEU1961   8.269  -5.022   3.486
  571   HD11  LEU1961          HD11      LEU1961   6.104  -2.970   3.980
  572   HD12  LEU1961          HD12      LEU1961   5.878  -4.553   3.236
  573   HD13  LEU1961          HD13      LEU1961   6.845  -3.323   2.420
  574   HD21  LEU1961          HD21      LEU1961   9.090  -2.721   3.278
  575   HD22  LEU1961          HD22      LEU1961   9.725  -3.501   4.726
  576   HD23  LEU1961          HD23      LEU1961   8.408  -2.336   4.858
  577    H    THR1962           HN       THR1962   6.609  -6.948   3.061
  578    HA   THR1962           HA       THR1962   8.218  -9.313   3.822
  579    HB   THR1962           HB       THR1962   6.850 -10.718   2.336
  580    HG1  THR1962           HG1      THR1962   5.549  -8.266   1.929
  581   HG21  THR1962          HG21      THR1962   4.721 -10.665   3.347
  582   HG22  THR1962          HG22      THR1962   5.111  -9.170   4.195
  583   HG23  THR1962          HG23      THR1962   5.985 -10.692   4.606
  584    H    TYR1963           HN       TYR1963   9.257 -10.300   1.888
  585    HA   TYR1963           HA       TYR1963   9.368  -8.590  -0.476
  586    HB2  TYR1963           HB2      TYR1963  11.811  -9.111  -0.748
  587    HB3  TYR1963           HB1      TYR1963  11.500  -8.190   0.712
  588    HD1  TYR1963           HD2      TYR1963  11.432  -9.479   2.901
  589    HD2  TYR1963           HD1      TYR1963  13.000 -11.156  -0.658
  590    HE1  TYR1963           HE2      TYR1963  12.617 -11.170   4.241
  591    HE2  TYR1963           HE1      TYR1963  14.197 -12.855   0.662
  592    HH   TYR1963           HH       TYR1963  13.474 -13.422   3.922
  593    H    GLU1964           HN       GLU1964   8.645  -9.698  -2.190
  594    HA   GLU1964           HA       GLU1964   9.122 -12.563  -2.287
  595    HB2  GLU1964           HB2      GLU1964   6.957 -12.353  -1.155
  596    HB3  GLU1964           HB1      GLU1964   6.379 -11.265  -2.395
  597    HG2  GLU1964           HG2      GLU1964   7.155 -14.023  -3.197
  598    HG3  GLU1964           HG1      GLU1964   5.664 -13.804  -2.284
  599    H    ASP1965           HN       ASP1965   9.995 -12.983  -4.122
  600    HA   ASP1965           HA       ASP1965  10.686 -12.945  -6.267
  601    HB2  ASP1965           HB2      ASP1965   8.291 -12.716  -6.993
  602    HB3  ASP1965           HB1      ASP1965   8.406 -10.974  -6.789
  603    H    GLN1966           HN       GLN1966  11.301 -11.157  -4.069
  604    HA   GLN1966           HA       GLN1966  12.612  -9.546  -3.407
  605    HB2  GLN1966           HB2      GLN1966  13.590  -9.353  -6.251
  606    HB3  GLN1966           HB1      GLN1966  14.283  -8.455  -4.908
  607    HG2  GLN1966           HG2      GLN1966  14.562 -10.802  -3.840
  608    HG3  GLN1966           HG1      GLN1966  14.398 -11.370  -5.502
  609   HE21  GLN1966          HE21      GLN1966  16.482 -12.061  -5.652
  610   HE22  GLN1966          HE22      GLN1966  17.844 -10.998  -5.698
  611    H    VAL1967           HN       VAL1967  10.139  -8.935  -5.382
  612    HA   VAL1967           HA       VAL1967  10.373  -6.083  -5.110
  613    HB   VAL1967           HB       VAL1967   9.261  -7.060  -7.128
  614   HG11  VAL1967          HG11      VAL1967   7.106  -7.964  -5.282
  615   HG12  VAL1967          HG12      VAL1967   8.207  -8.967  -6.227
  616   HG13  VAL1967          HG13      VAL1967   7.014  -7.954  -7.043
  617   HG21  VAL1967          HG21      VAL1967   7.421  -5.349  -5.478
  618   HG22  VAL1967          HG22      VAL1967   7.287  -5.609  -7.217
  619   HG23  VAL1967          HG23      VAL1967   8.704  -4.793  -6.554
  620    H    LEU1968           HN       LEU1968   8.907  -4.882  -3.716
  621    HA   LEU1968           HA       LEU1968   8.886  -6.243  -1.182
  622    HB2  LEU1968           HB2      LEU1968   9.763  -3.932  -1.587
  623    HB3  LEU1968           HB1      LEU1968   8.125  -3.421  -1.912
  624    HG   LEU1968           HG       LEU1968   7.527  -4.057   0.421
  625   HD11  LEU1968          HD11      LEU1968   9.361  -4.400   2.003
  626   HD12  LEU1968          HD12      LEU1968  10.499  -4.393   0.655
  627   HD13  LEU1968          HD13      LEU1968   9.297  -5.680   0.786
  628   HD21  LEU1968          HD21      LEU1968   8.051  -1.752  -0.181
  629   HD22  LEU1968          HD22      LEU1968   9.763  -2.059   0.113
  630   HD23  LEU1968          HD23      LEU1968   8.612  -2.126   1.448
  631    H    LYS1969           HN       LYS1969   7.124  -7.027  -0.233
  632    HA   LYS1969           HA       LYS1969   4.542  -6.384  -1.496
  633    HB2  LYS1969           HB2      LYS1969   5.208  -8.977  -0.075
  634    HB3  LYS1969           HB1      LYS1969   3.655  -8.520  -0.624
  635    HG2  LYS1969           HG2      LYS1969   6.011  -9.039  -2.423
  636    HG3  LYS1969           HG1      LYS1969   4.567 -10.035  -2.236
  637    HD2  LYS1969           HD2      LYS1969   3.287  -7.909  -2.961
  638    HD3  LYS1969           HD1      LYS1969   4.854  -7.348  -3.534
  639    HE2  LYS1969           HE2      LYS1969   3.247  -9.710  -4.458
  640    HE3  LYS1969           HE1      LYS1969   3.825  -8.339  -5.399
  641    HZ1  LYS1969           HZ1      LYS1969   5.309 -10.639  -4.357
  642    HZ2  LYS1969           HZ2      LYS1969   6.161  -9.284  -4.865
  643    HZ3  LYS1969           HZ3      LYS1969   5.206 -10.166  -5.949
  644    H    LEU1970           HN       LEU1970   2.841  -5.985  -0.353
  645    HA   LEU1970           HA       LEU1970   2.922  -6.081   2.548
  646    HB2  LEU1970           HB2      LEU1970   3.568  -3.820   1.926
  647    HB3  LEU1970           HB1      LEU1970   2.205  -3.718   0.836
  648    HG   LEU1970           HG       LEU1970   0.668  -3.730   2.734
  649   HD11  LEU1970          HD11      LEU1970   1.516  -3.509   5.006
  650   HD12  LEU1970          HD12      LEU1970   3.165  -3.728   4.422
  651   HD13  LEU1970          HD13      LEU1970   2.003  -5.050   4.302
  652   HD21  LEU1970          HD21      LEU1970   1.259  -1.540   3.579
  653   HD22  LEU1970          HD22      LEU1970   1.504  -1.662   1.836
  654   HD23  LEU1970          HD23      LEU1970   2.885  -1.730   2.930
  655    H    VAL1971           HN       VAL1971   0.876  -6.520   3.368
  656    HA   VAL1971           HA       VAL1971  -1.251  -6.810   1.397
  657    HB   VAL1971           HB       VAL1971  -1.987  -8.920   2.556
  658   HG11  VAL1971          HG11      VAL1971  -0.318 -10.377   1.525
  659   HG12  VAL1971          HG12      VAL1971   0.768  -8.998   1.348
  660   HG13  VAL1971          HG13      VAL1971  -0.760  -9.037   0.468
  661   HG21  VAL1971          HG21      VAL1971  -0.828  -8.630   4.688
  662   HG22  VAL1971          HG22      VAL1971   0.729  -8.777   3.871
  663   HG23  VAL1971          HG23      VAL1971  -0.370 -10.155   3.928
  664    H    TYR1972           HN       TYR1972  -2.928  -5.669   1.967
  665    HA   TYR1972           HA       TYR1972  -3.416  -5.330   4.818
  666    HB2  TYR1972           HB2      TYR1972  -4.243  -3.467   2.552
  667    HB3  TYR1972           HB1      TYR1972  -4.960  -3.397   4.160
  668    HD1  TYR1972           HD2      TYR1972  -2.903  -3.707   5.985
  669    HD2  TYR1972           HD1      TYR1972  -2.722  -1.738   2.242
  670    HE1  TYR1972           HE2      TYR1972  -1.037  -2.371   6.798
  671    HE2  TYR1972           HE1      TYR1972  -0.829  -0.379   3.053
  672    HH   TYR1972           HH       TYR1972   0.814  -1.248   5.874
  673    H    GLU1973           HN       GLU1973  -4.505  -6.864   5.461
  674    HA   GLU1973           HA       GLU1973  -6.659  -7.988   3.882
  675    HB2  GLU1973           HB2      GLU1973  -6.524  -9.816   5.586
  676    HB3  GLU1973           HB1      GLU1973  -5.066  -9.569   4.639
  677    HG2  GLU1973           HG2      GLU1973  -4.135  -8.252   6.543
  678    HG3  GLU1973           HG1      GLU1973  -5.552  -8.713   7.485
  679    H    ASP1974           HN       ASP1974  -8.615  -8.578   4.903
  680    HA   ASP1974           HA       ASP1974 -10.511  -8.304   6.036
  681    HB2  ASP1974           HB2      ASP1974  -8.825  -7.056   8.210
  682    HB3  ASP1974           HB1      ASP1974 -10.553  -7.332   8.352
  683    H    GLY1975           HN       GLY1975 -11.500  -7.108   4.631
  684    HA2  GLY1975           HA2      GLY1975 -11.538  -4.220   5.225
  685    HA3  GLY1975           HA1      GLY1975 -11.642  -4.854   3.582
  686    H    ASP1976           HN       ASP1976 -13.654  -3.617   3.524
  687    HA   ASP1976           HA       ASP1976 -15.854  -4.503   5.103
  688    HB2  ASP1976           HB2      ASP1976 -15.805  -2.877   2.533
  689    HB3  ASP1976           HB1      ASP1976 -17.245  -3.172   3.494
  690    HA   PRO1977           HA       PRO1977 -16.335  -8.235   2.900
  691    HB2  PRO1977           HB2      PRO1977 -18.683  -9.049   3.989
  692    HB3  PRO1977           HB1      PRO1977 -17.138  -9.125   4.842
  693    HG2  PRO1977           HG2      PRO1977 -19.332  -7.110   5.069
  694    HG3  PRO1977           HG1      PRO1977 -18.326  -7.824   6.342
  695    HD2  PRO1977           HD2      PRO1977 -17.895  -5.342   5.310
  696    HD3  PRO1977           HD1      PRO1977 -16.606  -6.360   5.976
  697    H    CYS1978           HN       CYS1978 -16.700  -7.928   0.803
  698    HA   CYS1978           HA       CYS1978 -19.119  -6.907  -0.286
  699    HB2  CYS1978           HB2      CYS1978 -16.868  -8.544  -1.521
  700    HB3  CYS1978           HB1      CYS1978 -18.109  -7.675  -2.428
  701    HA   PRO1979           HA       PRO1979 -21.881 -10.393  -0.219
  702    HB2  PRO1979           HB2      PRO1979 -22.256 -11.006  -2.928
  703    HB3  PRO1979           HB1      PRO1979 -23.191  -9.844  -1.983
  704    HG2  PRO1979           HG2      PRO1979 -20.881  -9.378  -3.817
  705    HG3  PRO1979           HG1      PRO1979 -22.339  -8.397  -3.573
  706    HD2  PRO1979           HD2      PRO1979 -20.011  -7.646  -2.533
  707    HD3  PRO1979           HD1      PRO1979 -21.515  -7.452  -1.605
  708    H    THR1980           HN       THR1980 -19.106 -10.870  -2.446
  709    HA   THR1980           HA       THR1980 -19.227 -13.639  -2.472
  710    HB   THR1980           HB       THR1980 -16.888 -12.852  -3.407
  711    HG1  THR1980           HG1      THR1980 -16.955 -10.738  -4.050
  712   HG21  THR1980          HG21      THR1980 -17.983 -12.463  -5.579
  713   HG22  THR1980          HG22      THR1980 -19.530 -12.245  -4.758
  714   HG23  THR1980          HG23      THR1980 -18.740 -13.820  -4.746
  715    H    ASP1981           HN       ASP1981 -17.646 -11.083  -0.667
  716    HA   ASP1981           HA       ASP1981 -15.539 -12.720   0.486
  717    HB2  ASP1981           HB2      ASP1981 -16.390  -9.920   0.912
  718    HB3  ASP1981           HB1      ASP1981 -14.989 -10.630   1.719
  719    H    LEU1982           HN       LEU1982 -18.609 -12.496   1.160
  720    HA   LEU1982           HA       LEU1982 -18.511 -12.444   4.024
  721    HB2  LEU1982           HB2      LEU1982 -20.533 -13.652   2.141
  722    HB3  LEU1982           HB1      LEU1982 -20.773 -13.337   3.849
  723    HG   LEU1982           HG       LEU1982 -20.191 -11.166   1.865
  724   HD11  LEU1982          HD11      LEU1982 -22.144 -12.378   1.240
  725   HD12  LEU1982          HD12      LEU1982 -22.530 -10.748   1.813
  726   HD13  LEU1982          HD13      LEU1982 -22.846 -12.166   2.852
  727   HD21  LEU1982          HD21      LEU1982 -21.378 -11.189   4.624
  728   HD22  LEU1982          HD22      LEU1982 -21.150  -9.755   3.614
  729   HD23  LEU1982          HD23      LEU1982 -19.750 -10.662   4.204
  730    H    LYS1983           HN       LYS1983 -17.952 -14.640   1.460
  731    HA   LYS1983           HA       LYS1983 -17.726 -16.873   3.310
  732    HB2  LYS1983           HB2      LYS1983 -19.595 -16.940   1.692
  733    HB3  LYS1983           HB1      LYS1983 -18.446 -16.822   0.385
  734    HG2  LYS1983           HG2      LYS1983 -17.522 -18.914   0.879
  735    HG3  LYS1983           HG1      LYS1983 -18.456 -19.064   2.375
  736    HD2  LYS1983           HD2      LYS1983 -19.513 -20.411   0.628
  737    HD3  LYS1983           HD1      LYS1983 -20.544 -19.039   1.022
  738    HE2  LYS1983           HE2      LYS1983 -19.565 -17.839  -0.929
  739    HE3  LYS1983           HE1      LYS1983 -18.716 -19.323  -1.353
  740    HZ1  LYS1983           HZ1      LYS1983 -21.641 -18.873  -1.265
  741    HZ2  LYS1983           HZ2      LYS1983 -20.967 -20.405  -1.427
  742    HZ3  LYS1983           HZ3      LYS1983 -20.698 -19.246  -2.623
  743    H    MET1984           HN       MET1984 -15.752 -14.624   2.017
  744    HA   MET1984           HA       MET1984 -13.628 -16.424   1.563
  745    HB2  MET1984           HB2      MET1984 -14.432 -14.150  -0.289
  746    HB3  MET1984           HB1      MET1984 -12.850 -14.903  -0.304
  747    HG2  MET1984           HG2      MET1984 -13.967 -17.061  -0.852
  748    HG3  MET1984           HG1      MET1984 -15.480 -16.173  -0.994
  749    HE1  MET1984           HE1      MET1984 -14.732 -13.778  -4.004
  750    HE2  MET1984           HE2      MET1984 -14.452 -13.432  -2.297
  751    HE3  MET1984           HE3      MET1984 -15.908 -14.300  -2.795
  752    H    LYS1985           HN       LYS1985 -11.794 -14.850   1.375
  753    HA   LYS1985           HA       LYS1985 -12.014 -12.681   3.379
  754    HB2  LYS1985           HB2      LYS1985  -9.737 -14.705   3.250
  755    HB3  LYS1985           HB1      LYS1985  -9.757 -13.289   4.275
  756    HG2  LYS1985           HG2      LYS1985 -10.234 -15.107   5.694
  757    HG3  LYS1985           HG1      LYS1985 -11.783 -14.318   5.427
  758    HD2  LYS1985           HD2      LYS1985 -12.000 -16.760   5.337
  759    HD3  LYS1985           HD1      LYS1985 -12.374 -16.033   3.774
  760    HE2  LYS1985           HE2      LYS1985 -11.016 -18.032   3.474
  761    HE3  LYS1985           HE1      LYS1985 -10.115 -16.603   2.983
  762    HZ1  LYS1985           HZ1      LYS1985  -8.986 -16.685   5.190
  763    HZ2  LYS1985           HZ2      LYS1985  -8.683 -18.000   4.237
  764    HZ3  LYS1985           HZ3      LYS1985  -9.781 -18.140   5.511
  765    H    HIS1986           HN       HIS1986 -11.016 -10.755   2.636
  766    HA   HIS1986           HA       HIS1986  -9.283 -11.234   0.355
  767    HB2  HIS1986           HB2      HIS1986  -9.909  -9.169  -0.754
  768    HB3  HIS1986           HB1      HIS1986 -11.306 -10.185  -0.508
  769    HD1  HIS1986           HD1      HIS1986 -13.275  -8.692  -0.183
  770    HD2  HIS1986           HD2      HIS1986  -9.872  -7.144   1.651
  771    HE1  HIS1986           HE1      HIS1986 -13.993  -6.570   0.864
  772    HE2  HIS1986           HE2      HIS1986 -11.885  -5.523   1.713
  773    H    LYS1987           HN       LYS1987  -7.447 -10.347   0.095
  774    HA   LYS1987           HA       LYS1987  -6.469  -8.494   2.153
  775    HB2  LYS1987           HB2      LYS1987  -4.879 -10.655   0.739
  776    HB3  LYS1987           HB1      LYS1987  -4.362  -9.666   2.097
  777    HG2  LYS1987           HG2      LYS1987  -6.001 -10.768   3.532
  778    HG3  LYS1987           HG1      LYS1987  -6.529 -11.753   2.169
  779    HD2  LYS1987           HD2      LYS1987  -4.234 -12.683   2.030
  780    HD3  LYS1987           HD1      LYS1987  -3.815 -11.762   3.480
  781    HE2  LYS1987           HE2      LYS1987  -5.597 -12.919   4.713
  782    HE3  LYS1987           HE1      LYS1987  -5.969 -13.864   3.274
  783    HZ1  LYS1987           HZ1      LYS1987  -4.586 -15.142   4.724
  784    HZ2  LYS1987           HZ2      LYS1987  -3.465 -13.900   4.849
  785    HZ3  LYS1987           HZ3      LYS1987  -3.648 -14.727   3.384
  786    H    SER1988           HN       SER1988  -5.595  -6.687   1.220
  787    HA   SER1988           HA       SER1988  -5.474  -6.631  -1.677
  788    HB2  SER1988           HB2      SER1988  -5.228  -4.423   0.380
  789    HB3  SER1988           HB1      SER1988  -5.298  -4.197  -1.380
  790    HG   SER1988           HG       SER1988  -7.321  -4.807   0.421
  791    H    TYR1989           HN       TYR1989  -3.653  -6.585  -2.798
  792    HA   TYR1989           HA       TYR1989  -1.177  -6.954  -1.304
  793    HB2  TYR1989           HB2      TYR1989  -2.057  -7.829  -4.022
  794    HB3  TYR1989           HB1      TYR1989  -0.377  -7.942  -3.503
  795    HD1  TYR1989           HD2      TYR1989  -3.807  -9.236  -2.999
  796    HD2  TYR1989           HD1      TYR1989   0.299  -9.666  -1.980
  797    HE1  TYR1989           HE2      TYR1989  -4.290 -11.434  -1.997
  798    HE2  TYR1989           HE1      TYR1989  -0.170 -11.861  -0.984
  799    HH   TYR1989           HH       TYR1989  -2.999 -13.546  -1.511
  800    H    PHE1990           HN       PHE1990   0.345  -5.584  -1.421
  801    HA   PHE1990           HA       PHE1990   0.343  -3.526  -3.512
  802    HB2  PHE1990           HB2      PHE1990   1.391  -3.463  -0.679
  803    HB3  PHE1990           HB1      PHE1990   1.715  -2.215  -1.873
  804    HD1  PHE1990           HD1      PHE1990  -1.025  -3.959  -0.111
  805    HD2  PHE1990           HD2      PHE1990   0.243  -0.434  -2.116
  806    HE1  PHE1990           HE1      PHE1990  -3.099  -2.833   0.555
  807    HE2  PHE1990           HE2      PHE1990  -1.825   0.696  -1.452
  808    HZ   PHE1990           HZ       PHE1990  -3.495  -0.471  -0.153
  809    H    SER1991           HN       SER1991   1.918  -3.718  -4.914
  810    HA   SER1991           HA       SER1991   4.305  -5.221  -4.176
  811    HB2  SER1991           HB2      SER1991   3.166  -4.565  -6.907
  812    HB3  SER1991           HB1      SER1991   4.599  -5.546  -6.594
  813    HG   SER1991           HG       SER1991   1.889  -6.148  -6.232
  814    H    PHE1992           HN       PHE1992   5.704  -3.787  -3.429
  815    HA   PHE1992           HA       PHE1992   5.877  -1.137  -4.600
  816    HB2  PHE1992           HB2      PHE1992   7.329  -2.346  -2.243
  817    HB3  PHE1992           HB1      PHE1992   7.429  -0.666  -2.752
  818    HD1  PHE1992           HD2      PHE1992   5.497   0.811  -2.489
  819    HD2  PHE1992           HD1      PHE1992   5.498  -3.166  -1.016
  820    HE1  PHE1992           HE2      PHE1992   3.593   1.345  -1.054
  821    HE2  PHE1992           HE1      PHE1992   3.582  -2.636   0.425
  822    HZ   PHE1992           HZ       PHE1992   2.606  -0.380   0.379
  823    H    VAL1993           HN       VAL1993   7.062  -0.944  -6.278
  824    HA   VAL1993           HA       VAL1993   9.433  -2.603  -6.542
  825    HB   VAL1993           HB       VAL1993   7.958  -3.414  -8.195
  826   HG11  VAL1993          HG11      VAL1993   6.286  -1.664  -8.102
  827   HG12  VAL1993          HG12      VAL1993   6.729  -2.007  -9.775
  828   HG13  VAL1993          HG13      VAL1993   7.363  -0.571  -8.968
  829   HG21  VAL1993          HG21      VAL1993   9.688  -1.370  -9.567
  830   HG22  VAL1993          HG22      VAL1993   8.955  -2.771 -10.345
  831   HG23  VAL1993          HG23      VAL1993  10.191  -2.997  -9.098
  832    H    CYS1994           HN       CYS1994  11.233  -1.628  -6.517
  833    HA   CYS1994           HA       CYS1994  11.524   1.129  -6.380
  834    HB2  CYS1994           HB2      CYS1994  13.987   0.544  -6.598
  835    HB3  CYS1994           HB1      CYS1994  13.089  -0.141  -5.247
  836    H    LYS1995           HN       LYS1995  11.383   2.573  -7.965
  837    HA   LYS1995           HA       LYS1995  12.643   1.935 -10.521
  838    HB2  LYS1995           HB2      LYS1995  10.079   1.827 -10.631
  839    HB3  LYS1995           HB1      LYS1995  10.102   3.562 -10.318
  840    HG2  LYS1995           HG2      LYS1995  11.603   3.789 -12.325
  841    HG3  LYS1995           HG1      LYS1995  11.249   2.101 -12.677
  842    HD2  LYS1995           HD2      LYS1995   8.809   2.738 -12.700
  843    HD3  LYS1995           HD1      LYS1995   9.334   4.427 -12.627
  844    HE2  LYS1995           HE2      LYS1995  10.785   3.913 -14.643
  845    HE3  LYS1995           HE1      LYS1995   9.896   2.400 -14.776
  846    HZ1  LYS1995           HZ1      LYS1995   8.801   5.147 -15.001
  847    HZ2  LYS1995           HZ2      LYS1995   7.838   3.749 -15.008
  848    HZ3  LYS1995           HZ3      LYS1995   8.972   4.009 -16.225
  849    H    SER1996           HN       SER1996  14.278   3.319 -10.708
  850    HA   SER1996           HA       SER1996  14.757   5.567  -9.132
  851    HB2  SER1996           HB2      SER1996  15.833   5.038 -11.896
  852    HB3  SER1996           HB1      SER1996  16.632   5.894 -10.569
  853    HG   SER1996           HG       SER1996  16.973   4.057  -9.533
  854    H    ASP1997           HN       ASP1997  13.147   5.189 -12.156
  855    HA   ASP1997           HA       ASP1997  13.017   7.859 -13.040
  856    HB2  ASP1997           HB2      ASP1997  12.644   6.044 -14.557
  857    HB3  ASP1997           HB1      ASP1997  11.298   5.447 -13.597
  858    H    ALA1998           HN       ALA1998  11.242   6.160 -10.608
  859    HA   ALA1998           HA       ALA1998   9.227   8.283 -10.464
  860    HB1  ALA1998           HB1      ALA1998   8.072   6.824  -8.850
  861    HB2  ALA1998           HB2      ALA1998   9.384   5.662  -8.963
  862    HB3  ALA1998           HB3      ALA1998   8.369   5.984 -10.372
  863    H    GLY1999           HN       GLY1999  12.044   7.030  -8.969
  864    HA2  GLY1999           HA2      GLY1999  13.423   7.921  -7.395
  865    HA3  GLY1999           HA1      GLY1999  12.418   9.362  -7.409
  866    H    ASP2000           HN       ASP2000  12.774   9.413  -5.137
  867    HA   ASP2000           HA       ASP2000  11.577   7.344  -3.525
  868    HB2  ASP2000           HB2      ASP2000  12.249   8.549  -1.600
  869    HB3  ASP2000           HB1      ASP2000  13.537   8.826  -2.763
  870    H    ASP2001           HN       ASP2001  10.356   9.748  -5.383
  871    HA   ASP2001           HA       ASP2001   8.347  10.952  -3.881
  872    HB2  ASP2001           HB2      ASP2001   8.381  10.241  -6.812
  873    HB3  ASP2001           HB1      ASP2001   7.070  11.140  -6.061
  874    H    SER2002           HN       SER2002   8.420   7.873  -5.487
  875    HA   SER2002           HA       SER2002   7.249   5.959  -5.155
  876    HB2  SER2002           HB2      SER2002   6.205   7.283  -2.636
  877    HB3  SER2002           HB1      SER2002   6.300   5.555  -2.972
  878    HG   SER2002           HG       SER2002   8.406   7.389  -2.563
  879    H    GLN2003           HN       GLN2003   5.842   6.298  -7.017
  880    HA   GLN2003           HA       GLN2003   3.220   7.254  -6.154
  881    HB2  GLN2003           HB2      GLN2003   2.627   7.949  -8.359
  882    HB3  GLN2003           HB1      GLN2003   4.217   8.601  -8.026
  883    HG2  GLN2003           HG2      GLN2003   5.236   6.936  -9.435
  884    HG3  GLN2003           HG1      GLN2003   3.673   6.145  -9.675
  885   HE21  GLN2003          HE21      GLN2003   2.058   7.249 -10.876
  886   HE22  GLN2003          HE22      GLN2003   2.479   8.466 -12.010
  887    HA   PRO2004           HA       PRO2004   1.846   3.134  -6.751
  888    HB2  PRO2004           HB2      PRO2004  -0.799   3.910  -6.068
  889    HB3  PRO2004           HB1      PRO2004   0.411   3.159  -5.024
  890    HG2  PRO2004           HG2      PRO2004  -0.567   5.732  -4.743
  891    HG3  PRO2004           HG1      PRO2004   0.920   5.111  -4.036
  892    HD2  PRO2004           HD2      PRO2004   0.568   6.800  -6.462
  893    HD3  PRO2004           HD1      PRO2004   1.885   6.785  -5.271
  894    H    VAL2005           HN       VAL2005   1.499   2.364  -8.693
  895    HA   VAL2005           HA       VAL2005  -0.475   3.653 -10.402
  896    HB   VAL2005           HB       VAL2005   1.522   1.441 -11.030
  897   HG11  VAL2005          HG11      VAL2005   0.950   1.865 -13.382
  898   HG12  VAL2005          HG12      VAL2005  -0.257   3.043 -12.869
  899   HG13  VAL2005          HG13      VAL2005  -0.455   1.341 -12.454
  900   HG21  VAL2005          HG21      VAL2005   2.757   3.147 -12.302
  901   HG22  VAL2005          HG22      VAL2005   2.670   3.546 -10.586
  902   HG23  VAL2005          HG23      VAL2005   1.624   4.376 -11.738
  903    H    PHE2006           HN       PHE2006  -2.448   2.812 -10.248
  904    HA   PHE2006           HA       PHE2006  -2.850   0.425  -8.825
  905    HB2  PHE2006           HB2      PHE2006  -5.281   0.686  -9.371
  906    HB3  PHE2006           HB1      PHE2006  -4.573   2.123  -8.685
  907    HD1  PHE2006           HD2      PHE2006  -4.059   4.069 -10.200
  908    HD2  PHE2006           HD1      PHE2006  -6.352   0.717 -11.463
  909    HE1  PHE2006           HE2      PHE2006  -4.986   5.402 -12.046
  910    HE2  PHE2006           HE1      PHE2006  -7.283   2.044 -13.309
  911    HZ   PHE2006           HZ       PHE2006  -6.604   4.389 -13.602
  912    H    LEU2007           HN       LEU2007  -2.417  -1.476  -9.479
  913    HA   LEU2007           HA       LEU2007  -1.746  -1.925 -12.212
  914    HB2  LEU2007           HB2      LEU2007  -0.699  -2.825  -9.994
  915    HB3  LEU2007           HB1      LEU2007  -1.967  -3.992 -10.096
  916    HG   LEU2007           HG       LEU2007  -1.191  -4.795 -12.257
  917   HD11  LEU2007          HD11      LEU2007   1.031  -2.808 -11.865
  918   HD12  LEU2007          HD12      LEU2007  -0.248  -2.704 -13.066
  919   HD13  LEU2007          HD13      LEU2007   0.948  -4.007 -13.161
  920   HD21  LEU2007          HD21      LEU2007   0.876  -5.843 -11.486
  921   HD22  LEU2007          HD22      LEU2007  -0.348  -5.833 -10.214
  922   HD23  LEU2007          HD23      LEU2007   0.979  -4.670 -10.171
  923    H    SER2008           HN       SER2008  -3.835  -3.486  -9.897
  924    HA   SER2008           HA       SER2008  -5.888  -3.816 -11.897
  925    HB2  SER2008           HB2      SER2008  -4.287  -5.746 -12.216
  926    HB3  SER2008           HB1      SER2008  -4.647  -6.252 -10.572
  927    HG   SER2008           HG       SER2008  -6.429  -6.056 -12.763
  928    H    PHE2009           HN       PHE2009  -7.885  -4.205 -10.976
  929    HA   PHE2009           HA       PHE2009  -7.996  -4.447  -8.077
  930    HB2  PHE2009           HB2      PHE2009  -8.402  -2.060  -8.671
  931    HB3  PHE2009           HB1      PHE2009  -9.695  -2.567  -9.752
  932    HD1  PHE2009           HD1      PHE2009  -8.660  -2.415  -6.198
  933    HD2  PHE2009           HD2      PHE2009 -11.866  -2.989  -8.935
  934    HE1  PHE2009           HE1      PHE2009 -10.264  -2.261  -4.344
  935    HE2  PHE2009           HE2      PHE2009 -13.477  -2.836  -7.084
  936    HZ   PHE2009           HZ       PHE2009 -12.660  -2.503  -4.765
  937    H    ASP2010           HN       ASP2010  -9.051  -6.177  -7.635
  938    HA   ASP2010           HA       ASP2010 -10.647  -7.491  -9.673
  939    HB2  ASP2010           HB2      ASP2010  -8.976  -8.838  -8.529
  940    HB3  ASP2010           HB1      ASP2010  -9.638  -8.387  -6.964
  941    H    GLU2011           HN       GLU2011 -12.756  -7.272  -9.697
  942    HA   GLU2011           HA       GLU2011 -14.145  -5.903  -7.569
  943    HB2  GLU2011           HB2      GLU2011 -16.105  -6.069  -9.049
  944    HB3  GLU2011           HB1      GLU2011 -14.710  -5.396  -9.886
  945    HG2  GLU2011           HG2      GLU2011 -14.323  -7.425 -11.052
  946    HG3  GLU2011           HG1      GLU2011 -15.462  -8.301 -10.039
  947    H    GLN2012           HN       GLN2012 -13.650  -9.134  -8.611
  948    HA   GLN2012           HA       GLN2012 -15.949 -10.475  -7.803
  949    HB2  GLN2012           HB2      GLN2012 -14.120 -11.387  -9.216
  950    HB3  GLN2012           HB1      GLN2012 -13.105 -11.485  -7.791
  951    HG2  GLN2012           HG2      GLN2012 -13.982 -13.648  -8.329
  952    HG3  GLN2012           HG1      GLN2012 -14.684 -13.090  -6.811
  953   HE21  GLN2012          HE21      GLN2012 -15.270 -13.652 -10.186
  954   HE22  GLN2012          HE22      GLN2012 -16.992 -13.634 -10.079
  955    H    THR2013           HN       THR2013 -12.875 -10.257  -6.094
  956    HA   THR2013           HA       THR2013 -14.349 -10.709  -3.610
  957    HB   THR2013           HB       THR2013 -13.032 -12.650  -4.092
  958    HG1  THR2013           HG1      THR2013 -12.833 -11.571  -1.880
  959   HG21  THR2013          HG21      THR2013 -10.633 -10.866  -4.432
  960   HG22  THR2013          HG22      THR2013 -11.471 -11.758  -5.701
  961   HG23  THR2013          HG23      THR2013 -10.604 -12.629  -4.436
  962    H    CYS2014           HN       CYS2014 -13.537  -8.262  -5.153
  963    HA   CYS2014           HA       CYS2014 -12.889  -6.114  -4.754
  964    HB2  CYS2014           HB2      CYS2014 -13.586  -6.958  -1.928
  965    HB3  CYS2014           HB1      CYS2014 -13.408  -5.287  -2.458
  966    H    THR2015           HN       THR2015 -10.747  -7.803  -4.983
  967    HA   THR2015           HA       THR2015  -8.847  -7.165  -2.866
  968    HB   THR2015           HB       THR2015  -8.595  -8.954  -5.290
  969    HG1  THR2015           HG1      THR2015  -9.961  -9.335  -3.161
  970   HG21  THR2015          HG21      THR2015  -6.583  -9.836  -4.180
  971   HG22  THR2015          HG22      THR2015  -6.766  -8.641  -2.895
  972   HG23  THR2015          HG23      THR2015  -6.404  -8.118  -4.541
  973    H    SER2016           HN       SER2016  -7.353  -5.602  -3.086
  974    HA   SER2016           HA       SER2016  -7.143  -4.216  -5.627
  975    HB2  SER2016           HB2      SER2016  -6.067  -3.532  -2.891
  976    HB3  SER2016           HB1      SER2016  -6.125  -2.470  -4.298
  977    HG   SER2016           HG       SER2016  -8.548  -3.531  -3.763
  978    H    TYR2017           HN       TYR2017  -5.282  -4.276  -6.849
  979    HA   TYR2017           HA       TYR2017  -2.819  -5.346  -5.667
  980    HB2  TYR2017           HB2      TYR2017  -3.931  -5.746  -8.456
  981    HB3  TYR2017           HB1      TYR2017  -2.247  -6.027  -8.054
  982    HD1  TYR2017           HD2      TYR2017  -1.651  -7.927  -6.548
  983    HD2  TYR2017           HD1      TYR2017  -5.626  -7.289  -7.912
  984    HE1  TYR2017           HE2      TYR2017  -2.248 -10.215  -5.874
  985    HE2  TYR2017           HE1      TYR2017  -6.234  -9.565  -7.240
  986    HH   TYR2017           HH       TYR2017  -4.259 -11.416  -5.231
  987    H    PHE2018           HN       PHE2018  -1.486  -3.667  -5.469
  988    HA   PHE2018           HA       PHE2018  -1.601  -1.641  -7.595
  989    HB2  PHE2018           HB2      PHE2018  -1.049  -1.118  -4.668
  990    HB3  PHE2018           HB1      PHE2018  -1.028   0.090  -5.948
  991    HD1  PHE2018           HD2      PHE2018  -3.384  -0.398  -7.480
  992    HD2  PHE2018           HD1      PHE2018  -2.831  -0.737  -3.289
  993    HE1  PHE2018           HE2      PHE2018  -5.785  -0.007  -7.131
  994    HE2  PHE2018           HE1      PHE2018  -5.220  -0.351  -2.923
  995    HZ   PHE2018           HZ       PHE2018  -6.712   0.022  -4.879
  996    H    SER2019           HN       SER2019   0.258  -0.873  -8.424
  997    HA   SER2019           HA       SER2019   2.680  -2.223  -7.523
  998    HB2  SER2019           HB2      SER2019   1.800  -2.657  -9.889
  999    HB3  SER2019           HB1      SER2019   2.133  -0.961 -10.228
 1000    HG   SER2019           HG       SER2019   3.850  -3.087  -9.702
 1001    H    TRP2020           HN       TRP2020   3.780  -0.857  -6.320
 1002    HA   TRP2020           HA       TRP2020   3.340   2.019  -6.689
 1003    HB2  TRP2020           HB2      TRP2020   2.913   0.738  -4.519
 1004    HB3  TRP2020           HB1      TRP2020   4.679   0.732  -4.306
 1005    HD1  TRP2020           HD1      TRP2020   5.384   3.709  -4.808
 1006    HE1  TRP2020           HE1      TRP2020   4.312   5.603  -3.424
 1007    HE3  TRP2020           HE3      TRP2020   1.321   1.211  -2.999
 1008    HZ2  TRP2020           HZ2      TRP2020   2.085   5.961  -1.736
 1009    HZ3  TRP2020           HZ3      TRP2020  -0.215   2.391  -1.490
 1010    HH2  TRP2020           HH2      TRP2020   0.168   4.719  -0.871
 1011    H    HIS2021           HN       HIS2021   4.829   2.945  -7.892
 1012    HA   HIS2021           HA       HIS2021   7.451   1.761  -8.199
 1013    HB2  HIS2021           HB2      HIS2021   6.215   4.195  -9.520
 1014    HB3  HIS2021           HB1      HIS2021   7.848   3.628  -9.842
 1015    HD1  HIS2021           HD1      HIS2021   5.510   3.817 -11.988
 1016    HD2  HIS2021           HD2      HIS2021   6.800   0.388 -10.035
 1017    HE1  HIS2021           HE1      HIS2021   4.817   1.894 -13.444
 1018    HE2  HIS2021           HE2      HIS2021   5.626  -0.175 -12.236
 1019    H    THR2022           HN       THR2022   8.624   2.061  -6.495
 1020    HA   THR2022           HA       THR2022   9.332   4.770  -5.783
 1021    HB   THR2022           HB       THR2022   7.704   4.511  -4.162
 1022    HG1  THR2022           HG1      THR2022   8.989   5.057  -2.710
 1023   HG21  THR2022          HG21      THR2022   7.388   2.521  -2.745
 1024   HG22  THR2022          HG22      THR2022   8.668   1.694  -3.630
 1025   HG23  THR2022          HG23      THR2022   7.173   2.138  -4.454
 1026    H    SER2023           HN       SER2023  11.563   4.908  -5.694
 1027    HA   SER2023           HA       SER2023  12.997   2.423  -5.395
 1028    HB2  SER2023           HB2      SER2023  15.012   3.985  -5.749
 1029    HB3  SER2023           HB1      SER2023  13.901   3.781  -7.106
 1030    HG   SER2023           HG       SER2023  14.206   5.939  -5.338
 1031    H    LEU2024           HN       LEU2024  11.448   3.852  -3.268
 1032    HA   LEU2024           HA       LEU2024  13.479   3.880  -1.188
 1033    HB2  LEU2024           HB2      LEU2024  12.013   5.860  -1.334
 1034    HB3  LEU2024           HB1      LEU2024  10.598   4.855  -1.345
 1035    HG   LEU2024           HG       LEU2024  11.062   6.231   0.735
 1036   HD11  LEU2024          HD11      LEU2024   9.432   4.477   0.712
 1037   HD12  LEU2024          HD12      LEU2024  10.275   4.520   2.262
 1038   HD13  LEU2024          HD13      LEU2024  10.674   3.282   1.067
 1039   HD21  LEU2024          HD21      LEU2024  13.453   5.812   0.930
 1040   HD22  LEU2024          HD22      LEU2024  13.142   4.095   1.193
 1041   HD23  LEU2024          HD23      LEU2024  12.606   5.279   2.385
 1042    H    ALA2025           HN       ALA2025  11.252   1.962  -2.784
 1043    HA   ALA2025           HA       ALA2025  10.435   0.168  -0.661
 1044    HB1  ALA2025           HB1      ALA2025   9.537  -1.175  -2.487
 1045    HB2  ALA2025           HB2      ALA2025  10.344  -0.113  -3.650
 1046    HB3  ALA2025           HB3      ALA2025   9.053   0.517  -2.632
 1047    H    CYS2026           HN       CYS2026  12.814   0.201  -3.218
 1048    HA   CYS2026           HA       CYS2026  14.314  -1.764  -1.790
 1049    HB2  CYS2026           HB2      CYS2026  14.225  -3.393  -3.326
 1050    HB3  CYS2026           HB1      CYS2026  12.882  -2.551  -4.118
 1051    H    GLU2027           HN       GLU2027  16.646  -1.640  -2.792
 1052    HA   GLU2027           HA       GLU2027  17.093   1.194  -2.794
 1053    HB2  GLU2027           HB2      GLU2027  18.460  -0.364  -1.437
 1054    HB3  GLU2027           HB1      GLU2027  19.075  -1.081  -2.914
 1055    HG2  GLU2027           HG2      GLU2027  20.127   0.982  -3.540
 1056    HG3  GLU2027           HG1      GLU2027  19.402   1.809  -2.160
 1057    H    GLU2028           HN       GLU2028  18.203  -1.487  -4.804
 1058    HA   GLU2028           HA       GLU2028  18.840  -1.693  -6.909
 1059    HB2  GLU2028           HB2      GLU2028  16.359  -1.461  -7.058
 1060    HB3  GLU2028           HB1      GLU2028  16.585   0.237  -7.428
 1061    HG2  GLU2028           HG2      GLU2028  16.149  -1.063  -9.397
 1062    HG3  GLU2028           HG1      GLU2028  17.764  -0.333  -9.422
 1063    H    GLU2029           HN       GLU2029  17.777   1.572  -7.557
 1064    HA   GLU2029           HA       GLU2029  20.502   2.526  -7.683
 1065    HB2  GLU2029           HB2      GLU2029  18.509   2.785  -9.955
 1066    HB3  GLU2029           HB1      GLU2029  20.063   3.593  -9.870
 1067    HG2  GLU2029           HG2      GLU2029  21.192   1.433  -9.964
 1068    HG3  GLU2029           HG1      GLU2029  19.628   0.623 -10.020
 1069    H    VAL2030           HN       VAL2030  20.000   3.697  -5.897
 1070    HA   VAL2030           HA       VAL2030  17.685   5.312  -5.619
 1071    HB   VAL2030           HB       VAL2030  20.405   5.628  -4.286
 1072   HG11  VAL2030          HG11      VAL2030  19.094   7.677  -4.113
 1073   HG12  VAL2030          HG12      VAL2030  19.217   6.881  -2.543
 1074   HG13  VAL2030          HG13      VAL2030  17.725   6.763  -3.479
 1075   HG21  VAL2030          HG21      VAL2030  19.419   3.451  -3.845
 1076   HG22  VAL2030          HG22      VAL2030  17.916   4.217  -3.334
 1077   HG23  VAL2030          HG23      VAL2030  19.389   4.447  -2.390
 1078    HA   PRO2031           HA       PRO2031  19.172   8.256  -8.637
 1079    HB2  PRO2031           HB2      PRO2031  16.825   9.332  -9.224
 1080    HB3  PRO2031           HB1      PRO2031  17.173   7.655  -9.665
 1081    HG2  PRO2031           HG2      PRO2031  15.545   8.712  -7.389
 1082    HG3  PRO2031           HG1      PRO2031  15.241   7.317  -8.442
 1083    HD2  PRO2031           HD2      PRO2031  16.364   7.182  -5.902
 1084    HD3  PRO2031           HD1      PRO2031  16.483   5.936  -7.155
 1085    H    ARG2032           HN       ARG2032  18.832   8.765  -5.598
 1086    HA   ARG2032           HA       ARG2032  19.062  10.444  -4.125
 1087    HB2  ARG2032           HB2      ARG2032  19.735  11.986  -6.632
 1088    HB3  ARG2032           HB1      ARG2032  19.692  12.780  -5.071
 1089    HG2  ARG2032           HG2      ARG2032  21.973  12.255  -5.705
 1090    HG3  ARG2032           HG1      ARG2032  21.510  11.320  -4.293
 1091    HD2  ARG2032           HD2      ARG2032  22.825   9.994  -5.877
 1092    HD3  ARG2032           HD1      ARG2032  21.202   9.347  -5.693
 1093    HE   ARG2032           HE       ARG2032  21.134  11.057  -7.865
 1094   HH11  ARG2032          HH11      ARG2032  22.997   8.127  -7.051
 1095   HH12  ARG2032          HH12      ARG2032  22.876   7.455  -8.596
 1096   HH21  ARG2032          HH21      ARG2032  21.031  10.099 -10.062
 1097   HH22  ARG2032          HH22      ARG2032  21.759   8.589 -10.342
  Start of MODEL   20
    1    H1   MET1885           HT1      MET1885  17.135  12.240   4.801
    2    H2   MET1885           HT2      MET1885  16.278  11.478   6.052
    3    H3   MET1885           HT3      MET1885  15.457  12.401   4.896
    4    HA   MET1885           HA       MET1885  15.989  10.919   3.158
    5    HB2  MET1885           HB2      MET1885  18.145  10.088   4.023
    6    HB3  MET1885           HB1      MET1885  17.303   9.251   5.323
    7    HG2  MET1885           HG2      MET1885  16.116   7.894   3.618
    8    HG3  MET1885           HG1      MET1885  17.092   8.668   2.375
    9    HE1  MET1885           HE1      MET1885  16.875   5.522   2.692
   10    HE2  MET1885           HE2      MET1885  18.561   5.043   2.496
   11    HE3  MET1885           HE3      MET1885  17.876   6.305   1.472
   12    H    LYS1886           HN       LYS1886  15.371   9.753   6.460
   13    HA   LYS1886           HA       LYS1886  13.127   8.225   5.438
   14    HB2  LYS1886           HB2      LYS1886  14.081   8.369   8.294
   15    HB3  LYS1886           HB1      LYS1886  13.160   7.087   7.520
   16    HG2  LYS1886           HG2      LYS1886  15.190   6.634   6.096
   17    HG3  LYS1886           HG1      LYS1886  16.074   7.746   7.138
   18    HD2  LYS1886           HD2      LYS1886  16.494   5.576   7.989
   19    HD3  LYS1886           HD1      LYS1886  15.311   6.302   9.084
   20    HE2  LYS1886           HE2      LYS1886  13.518   5.182   7.796
   21    HE3  LYS1886           HE1      LYS1886  14.760   4.377   6.846
   22    HZ1  LYS1886           HZ1      LYS1886  14.029   2.925   8.470
   23    HZ2  LYS1886           HZ2      LYS1886  14.147   4.045   9.709
   24    HZ3  LYS1886           HZ3      LYS1886  15.563   3.388   9.027
   25    H    SER1887           HN       SER1887  11.081   8.921   5.707
   26    HA   SER1887           HA       SER1887  10.777  11.555   6.700
   27    HB2  SER1887           HB2      SER1887   8.647   9.674   5.680
   28    HB3  SER1887           HB1      SER1887   8.477  11.418   5.907
   29    HG   SER1887           HG       SER1887  10.148  11.713   4.384
   30    H    ASN1888           HN       ASN1888   8.509   8.895   7.573
   31    HA   ASN1888           HA       ASN1888   9.000   9.615  10.347
   32    HB2  ASN1888           HB2      ASN1888   7.205  11.110   9.648
   33    HB3  ASN1888           HB1      ASN1888   6.287   9.760   9.009
   34   HD21  ASN1888          HD21      ASN1888   4.573  10.540  10.339
   35   HD22  ASN1888          HD22      ASN1888   4.520  10.138  12.012
   36    H    VAL1889           HN       VAL1889   8.395   8.056  11.820
   37    HA   VAL1889           HA       VAL1889   8.781   5.442  10.898
   38    HB   VAL1889           HB       VAL1889   8.435   4.722  13.245
   39   HG11  VAL1889          HG11      VAL1889  10.360   5.914  14.180
   40   HG12  VAL1889          HG12      VAL1889  10.232   7.111  12.892
   41   HG13  VAL1889          HG13      VAL1889  10.627   5.436  12.503
   42   HG21  VAL1889          HG21      VAL1889   6.719   6.334  13.917
   43   HG22  VAL1889          HG22      VAL1889   7.881   7.651  13.759
   44   HG23  VAL1889          HG23      VAL1889   8.109   6.423  15.000
   45    H    GLN1890           HN       GLN1890   7.526   3.736  10.787
   46    HA   GLN1890           HA       GLN1890   4.653   4.188  10.474
   47    HB2  GLN1890           HB2      GLN1890   6.579   2.099   9.541
   48    HB3  GLN1890           HB1      GLN1890   4.841   1.858   9.415
   49    HG2  GLN1890           HG2      GLN1890   4.665   3.688   7.909
   50    HG3  GLN1890           HG1      GLN1890   6.339   4.155   8.208
   51   HE21  GLN1890          HE21      GLN1890   4.785   3.270   5.795
   52   HE22  GLN1890          HE22      GLN1890   5.783   2.028   5.119
   53    H    ASN1891           HN       ASN1891   6.624   3.351  12.850
   54    HA   ASN1891           HA       ASN1891   6.404   2.372  14.899
   55    HB2  ASN1891           HB2      ASN1891   3.706   1.321  13.943
   56    HB3  ASN1891           HB1      ASN1891   4.324   1.147  15.579
   57   HD21  ASN1891          HD21      ASN1891   5.424   3.744  15.817
   58   HD22  ASN1891          HD22      ASN1891   4.131   4.878  15.867
   59    H    ASP1892           HN       ASP1892   5.098   0.234  12.455
   60    HA   ASP1892           HA       ASP1892   7.241  -1.691  13.052
   61    HB2  ASP1892           HB2      ASP1892   4.837  -2.363  13.900
   62    HB3  ASP1892           HB1      ASP1892   4.442  -2.536  12.196
   63    H    CYS1893           HN       CYS1893   6.176  -3.335  10.821
   64    HA   CYS1893           HA       CYS1893   6.363  -3.587   8.622
   65    HB2  CYS1893           HB2      CYS1893   4.584  -1.923   8.396
   66    HB3  CYS1893           HB1      CYS1893   5.767  -0.626   8.457
   67    H    ARG1894           HN       ARG1894   8.428  -4.201   8.821
   68    HA   ARG1894           HA       ARG1894  10.263  -2.771   7.259
   69    HB2  ARG1894           HB2      ARG1894  11.878  -2.061   8.863
   70    HB3  ARG1894           HB1      ARG1894  10.352  -1.550   9.517
   71    HG2  ARG1894           HG2      ARG1894  10.357  -3.572  10.985
   72    HG3  ARG1894           HG1      ARG1894  11.999  -3.893  10.421
   73    HD2  ARG1894           HD2      ARG1894  12.305  -2.719  12.418
   74    HD3  ARG1894           HD1      ARG1894  12.525  -1.500  11.162
   75    HE   ARG1894           HE       ARG1894   9.924  -1.836  12.458
   76   HH11  ARG1894          HH11      ARG1894  12.621   0.332  11.628
   77   HH12  ARG1894          HH12      ARG1894  12.042   1.648  12.533
   78   HH21  ARG1894          HH21      ARG1894   9.098   0.007  13.693
   79   HH22  ARG1894          HH22      ARG1894   9.999   1.448  13.755
   80    H    VAL1895           HN       VAL1895  11.831  -4.221   6.539
   81    HA   VAL1895           HA       VAL1895  12.193  -6.740   7.920
   82    HB   VAL1895           HB       VAL1895  10.093  -7.085   6.609
   83   HG11  VAL1895          HG11      VAL1895  11.807  -6.657   4.180
   84   HG12  VAL1895          HG12      VAL1895  10.474  -5.644   4.733
   85   HG13  VAL1895          HG13      VAL1895  10.159  -7.288   4.172
   86   HG21  VAL1895          HG21      VAL1895  10.734  -9.214   5.541
   87   HG22  VAL1895          HG22      VAL1895  11.467  -9.013   7.135
   88   HG23  VAL1895          HG23      VAL1895  12.431  -8.752   5.684
   89    H    THR1896           HN       THR1896  14.063  -7.850   7.237
   90    HA   THR1896           HA       THR1896  15.916  -6.187   5.743
   91    HB   THR1896           HB       THR1896  16.444  -8.775   7.221
   92    HG1  THR1896           HG1      THR1896  15.601  -7.231   8.612
   93   HG21  THR1896          HG21      THR1896  18.287  -6.508   6.395
   94   HG22  THR1896          HG22      THR1896  18.215  -8.100   5.633
   95   HG23  THR1896          HG23      THR1896  18.760  -7.946   7.305
   96    H    ASN1897           HN       ASN1897  16.764  -6.689   3.795
   97    HA   ASN1897           HA       ASN1897  15.772  -9.084   2.394
   98    HB2  ASN1897           HB2      ASN1897  15.502  -6.868   1.256
   99    HB3  ASN1897           HB1      ASN1897  17.241  -6.637   1.331
  100   HD21  ASN1897          HD21      ASN1897  15.620  -6.605  -1.022
  101   HD22  ASN1897          HD22      ASN1897  16.182  -7.875  -2.041
  102    HA   PRO1898           HA       PRO1898  19.792 -10.789   3.566
  103    HB2  PRO1898           HB2      PRO1898  19.498 -13.115   2.129
  104    HB3  PRO1898           HB1      PRO1898  18.843 -12.850   3.748
  105    HG2  PRO1898           HG2      PRO1898  17.484 -12.617   1.095
  106    HG3  PRO1898           HG1      PRO1898  16.886 -13.345   2.598
  107    HD2  PRO1898           HD2      PRO1898  16.100 -10.909   1.832
  108    HD3  PRO1898           HD1      PRO1898  16.396 -11.282   3.543
  109    H    ALA1899           HN       ALA1899  18.679 -10.290   0.298
  110    HA   ALA1899           HA       ALA1899  21.230 -10.984  -0.859
  111    HB1  ALA1899           HB1      ALA1899  18.820  -9.687  -2.125
  112    HB2  ALA1899           HB2      ALA1899  19.164 -11.417  -2.095
  113    HB3  ALA1899           HB3      ALA1899  20.226 -10.322  -2.980
  114    H    THR1900           HN       THR1900  19.400  -8.101  -0.121
  115    HA   THR1900           HA       THR1900  21.400  -6.358  -1.234
  116    HB   THR1900           HB       THR1900  18.950  -5.637   0.427
  117    HG1  THR1900           HG1      THR1900  19.396  -6.035  -2.336
  118   HG21  THR1900          HG21      THR1900  20.563  -4.052  -1.588
  119   HG22  THR1900          HG22      THR1900  20.598  -3.810   0.162
  120   HG23  THR1900          HG23      THR1900  19.115  -3.496  -0.747
  121    H    GLY1901           HN       GLY1901  20.474  -7.537   1.963
  122    HA2  GLY1901           HA2      GLY1901  21.742  -7.526   3.888
  123    HA3  GLY1901           HA1      GLY1901  22.933  -6.508   3.082
  124    H    HIS1902           HN       HIS1902  19.918  -5.318   2.577
  125    HA   HIS1902           HA       HIS1902  20.231  -3.380   4.752
  126    HB2  HIS1902           HB2      HIS1902  19.046  -2.961   2.002
  127    HB3  HIS1902           HB1      HIS1902  18.838  -1.823   3.325
  128    HD1  HIS1902           HD1      HIS1902  20.222  -1.031   0.687
  129    HD2  HIS1902           HD2      HIS1902  22.207  -2.267   4.122
  130    HE1  HIS1902           HE1      HIS1902  22.540  -0.115   0.500
  131    HE2  HIS1902           HE2      HIS1902  23.655  -0.693   2.664
  132    H    LEU1903           HN       LEU1903  18.272  -2.434   5.507
  133    HA   LEU1903           HA       LEU1903  16.141  -4.420   5.607
  134    HB2  LEU1903           HB2      LEU1903  17.379  -3.971   7.734
  135    HB3  LEU1903           HB1      LEU1903  16.921  -2.293   7.617
  136    HG   LEU1903           HG       LEU1903  14.856  -4.487   7.891
  137   HD11  LEU1903          HD11      LEU1903  14.864  -4.015  10.270
  138   HD12  LEU1903          HD12      LEU1903  16.216  -2.903  10.048
  139   HD13  LEU1903          HD13      LEU1903  16.438  -4.634   9.754
  140   HD21  LEU1903          HD21      LEU1903  14.009  -2.304   7.200
  141   HD22  LEU1903          HD22      LEU1903  14.853  -1.548   8.555
  142   HD23  LEU1903          HD23      LEU1903  13.541  -2.688   8.860
  143    H    PHE1904           HN       PHE1904  14.254  -3.848   4.817
  144    HA   PHE1904           HA       PHE1904  14.003  -1.177   3.689
  145    HB2  PHE1904           HB2      PHE1904  12.209  -3.576   3.369
  146    HB3  PHE1904           HB1      PHE1904  12.090  -2.062   2.499
  147    HD1  PHE1904           HD2      PHE1904  14.944  -1.687   1.851
  148    HD2  PHE1904           HD1      PHE1904  12.477  -5.141   1.647
  149    HE1  PHE1904           HE2      PHE1904  16.419  -2.587   0.174
  150    HE2  PHE1904           HE1      PHE1904  13.957  -6.093  -0.082
  151    HZ   PHE1904           HZ       PHE1904  15.627  -4.898  -1.034
  152    H    ASP1905           HN       ASP1905  12.908   0.237   4.779
  153    HA   ASP1905           HA       ASP1905  10.392  -0.564   5.911
  154    HB2  ASP1905           HB2      ASP1905  10.609   0.972   7.835
  155    HB3  ASP1905           HB1      ASP1905  11.848  -0.265   7.903
  156    H    LEU1906           HN       LEU1906   8.829   1.018   5.669
  157    HA   LEU1906           HA       LEU1906   9.534   2.724   3.393
  158    HB2  LEU1906           HB2      LEU1906   6.909   1.517   4.258
  159    HB3  LEU1906           HB1      LEU1906   7.082   2.614   2.900
  160    HG   LEU1906           HG       LEU1906   8.543  -0.027   3.063
  161   HD11  LEU1906          HD11      LEU1906   6.107  -0.390   3.048
  162   HD12  LEU1906          HD12      LEU1906   6.882  -0.901   1.550
  163   HD13  LEU1906          HD13      LEU1906   5.993   0.621   1.602
  164   HD21  LEU1906          HD21      LEU1906   7.955   1.851   0.788
  165   HD22  LEU1906          HD22      LEU1906   8.804   0.311   0.667
  166   HD23  LEU1906          HD23      LEU1906   9.517   1.642   1.584
  167    H    THR1907           HN       THR1907  10.100   3.631   5.984
  168    HA   THR1907           HA       THR1907   8.125   5.221   7.151
  169    HB   THR1907           HB       THR1907  10.105   6.451   8.159
  170    HG1  THR1907           HG1      THR1907  11.738   4.395   7.185
  171   HG21  THR1907          HG21      THR1907  10.739   4.546   9.558
  172   HG22  THR1907          HG22      THR1907  10.102   3.435   8.347
  173   HG23  THR1907          HG23      THR1907   9.004   4.499   9.220
  174    H    SER1908           HN       SER1908  10.375   5.933   4.556
  175    HA   SER1908           HA       SER1908   9.696   8.704   4.385
  176    HB2  SER1908           HB2      SER1908  11.025   6.953   2.334
  177    HB3  SER1908           HB1      SER1908  11.114   8.714   2.466
  178    HG   SER1908           HG       SER1908  12.768   8.359   3.644
  179    H    LEU1909           HN       LEU1909   8.027   5.939   3.547
  180    HA   LEU1909           HA       LEU1909   6.892   7.172   1.167
  181    HB2  LEU1909           HB2      LEU1909   7.816   4.834   1.015
  182    HB3  LEU1909           HB1      LEU1909   6.529   4.340   2.097
  183    HG   LEU1909           HG       LEU1909   4.850   4.980   0.449
  184   HD11  LEU1909          HD11      LEU1909   7.206   5.642  -1.315
  185   HD12  LEU1909          HD12      LEU1909   6.054   6.797  -0.647
  186   HD13  LEU1909          HD13      LEU1909   5.519   5.600  -1.826
  187   HD21  LEU1909          HD21      LEU1909   5.729   2.706   0.443
  188   HD22  LEU1909          HD22      LEU1909   7.004   3.197  -0.673
  189   HD23  LEU1909          HD23      LEU1909   5.320   3.237  -1.187
  190    H    LYS1910           HN       LYS1910   6.073   6.090   4.409
  191    HA   LYS1910           HA       LYS1910   3.238   6.348   4.070
  192    HB2  LYS1910           HB2      LYS1910   3.051   6.402   6.529
  193    HB3  LYS1910           HB1      LYS1910   4.149   5.134   6.023
  194    HG2  LYS1910           HG2      LYS1910   6.032   6.263   6.788
  195    HG3  LYS1910           HG1      LYS1910   5.201   7.818   6.817
  196    HD2  LYS1910           HD2      LYS1910   4.461   5.518   8.630
  197    HD3  LYS1910           HD1      LYS1910   5.655   6.728   9.064
  198    HE2  LYS1910           HE2      LYS1910   3.971   8.501   8.794
  199    HE3  LYS1910           HE1      LYS1910   2.766   7.287   8.371
  200    HZ1  LYS1910           HZ1      LYS1910   2.814   6.425  10.598
  201    HZ2  LYS1910           HZ2      LYS1910   2.747   8.104  10.725
  202    HZ3  LYS1910           HZ3      LYS1910   4.202   7.296  10.976
  203    H    ARG1911           HN       ARG1911   1.888   8.092   4.734
  204    HA   ARG1911           HA       ARG1911   3.407  10.604   4.879
  205    HB2  ARG1911           HB2      ARG1911   0.527  10.616   4.047
  206    HB3  ARG1911           HB1      ARG1911   1.780  11.775   3.697
  207    HG2  ARG1911           HG2      ARG1911   1.168   9.188   2.317
  208    HG3  ARG1911           HG1      ARG1911   1.155  10.816   1.665
  209    HD2  ARG1911           HD2      ARG1911   3.538   9.163   2.437
  210    HD3  ARG1911           HD1      ARG1911   2.960   9.582   0.831
  211    HE   ARG1911           HE       ARG1911   3.488  11.994   1.908
  212   HH11  ARG1911          HH11      ARG1911   5.285   8.991   1.705
  213   HH12  ARG1911          HH12      ARG1911   6.836   9.690   1.644
  214   HH21  ARG1911          HH21      ARG1911   5.644  13.037   1.781
  215   HH22  ARG1911          HH22      ARG1911   7.036  12.053   1.676
  216    H    GLU1912           HN       GLU1912   1.766  12.313   5.878
  217    HA   GLU1912           HA       GLU1912   1.070  11.266   8.462
  218    HB2  GLU1912           HB2      GLU1912   0.772  14.040   7.302
  219    HB3  GLU1912           HB1      GLU1912   0.473  13.621   8.983
  220    HG2  GLU1912           HG2      GLU1912   3.111  13.356   7.551
  221    HG3  GLU1912           HG1      GLU1912   2.666  14.649   8.664
  222    H    SER1913           HN       SER1913  -0.470  11.385   5.537
  223    HA   SER1913           HA       SER1913  -2.998  10.803   6.874
  224    HB2  SER1913           HB2      SER1913  -2.765  12.421   4.314
  225    HB3  SER1913           HB1      SER1913  -4.269  11.935   5.100
  226    HG   SER1913           HG       SER1913  -2.332  13.382   6.506
  227    H    GLY1914           HN       GLY1914  -1.429  10.767   3.657
  228    HA2  GLY1914           HA2      GLY1914  -0.772   8.231   3.349
  229    HA3  GLY1914           HA1      GLY1914  -2.532   8.123   3.208
  230    H    TYR1915           HN       TYR1915  -0.782   7.419   1.142
  231    HA   TYR1915           HA       TYR1915  -0.934   9.663  -0.602
  232    HB2  TYR1915           HB2      TYR1915   0.118   8.084  -2.358
  233    HB3  TYR1915           HB1      TYR1915   1.115   8.625  -1.027
  234    HD1  TYR1915           HD1      TYR1915  -1.381   5.893  -0.981
  235    HD2  TYR1915           HD2      TYR1915   2.747   6.876  -0.987
  236    HE1  TYR1915           HE1      TYR1915  -0.828   3.556  -0.480
  237    HE2  TYR1915           HE2      TYR1915   3.305   4.541  -0.490
  238    HH   TYR1915           HH       TYR1915   1.052   2.015  -0.666
  239    H    THR1916           HN       THR1916  -2.280   9.978  -2.203
  240    HA   THR1916           HA       THR1916  -4.467   8.044  -2.516
  241    HB   THR1916           HB       THR1916  -6.070   9.886  -2.077
  242    HG1  THR1916           HG1      THR1916  -3.657  11.238  -1.681
  243   HG21  THR1916          HG21      THR1916  -5.863   9.786   0.379
  244   HG22  THR1916          HG22      THR1916  -4.198   9.193   0.173
  245   HG23  THR1916          HG23      THR1916  -5.540   8.219  -0.379
  246    H    ILE1917           HN       ILE1917  -5.607   8.069  -4.047
  247    HA   ILE1917           HA       ILE1917  -4.951   9.747  -6.314
  248    HB   ILE1917           HB       ILE1917  -5.038   7.632  -7.647
  249   HG12  ILE1917          HG12      ILE1917  -4.490   6.353  -4.970
  250   HG13  ILE1917          HG11      ILE1917  -5.920   6.128  -5.968
  251   HG21  ILE1917          HG21      ILE1917  -2.643   8.055  -5.861
  252   HG22  ILE1917          HG22      ILE1917  -2.955   8.847  -7.405
  253   HG23  ILE1917          HG23      ILE1917  -2.625   7.115  -7.354
  254   HD11  ILE1917          HD11      ILE1917  -4.524   5.055  -7.672
  255   HD12  ILE1917          HD12      ILE1917  -4.478   4.222  -6.124
  256   HD13  ILE1917          HD13      ILE1917  -3.120   5.243  -6.617
  257    H    THR1918           HN       THR1918  -6.628   8.875  -8.130
  258    HA   THR1918           HA       THR1918  -9.183   8.704  -6.699
  259    HB   THR1918           HB       THR1918  -8.728   9.769  -9.503
  260    HG1  THR1918           HG1      THR1918  -7.893  10.823  -7.316
  261   HG21  THR1918          HG21      THR1918 -11.037  10.087  -7.553
  262   HG22  THR1918          HG22      THR1918 -11.049   9.020  -8.944
  263   HG23  THR1918          HG23      THR1918 -10.958  10.768  -9.176
  264    H    ASP1919           HN       ASP1919 -10.754   7.250  -7.477
  265    HA   ASP1919           HA       ASP1919  -9.628   4.938  -8.788
  266    HB2  ASP1919           HB2      ASP1919 -10.834   4.542  -6.715
  267    HB3  ASP1919           HB1      ASP1919 -12.204   5.461  -7.293
  268    H    SER1920           HN       SER1920 -11.162   3.804 -10.321
  269    HA   SER1920           HA       SER1920 -11.132   4.883 -12.732
  270    HB2  SER1920           HB2      SER1920 -13.129   2.909 -11.706
  271    HB3  SER1920           HB1      SER1920 -12.574   3.076 -13.379
  272    HG   SER1920           HG       SER1920 -10.773   2.090 -12.897
  273    H    HIS1921           HN       HIS1921 -14.086   5.038 -10.635
  274    HA   HIS1921           HA       HIS1921 -15.130   6.879 -12.681
  275    HB2  HIS1921           HB2      HIS1921 -16.264   4.780 -13.021
  276    HB3  HIS1921           HB1      HIS1921 -16.691   4.683 -11.319
  277    HD1  HIS1921           HD1      HIS1921 -19.158   5.009 -11.173
  278    HD2  HIS1921           HD2      HIS1921 -17.434   7.568 -13.955
  279    HE1  HIS1921           HE1      HIS1921 -21.003   6.489 -11.968
  280    HE2  HIS1921           HE2      HIS1921 -19.986   7.922 -13.749
  281    H    ASN1922           HN       ASN1922 -16.041   5.879  -9.413
  282    HA   ASN1922           HA       ASN1922 -16.899   8.706  -8.974
  283    HB2  ASN1922           HB2      ASN1922 -18.545   6.725  -9.003
  284    HB3  ASN1922           HB1      ASN1922 -17.828   6.323  -7.466
  285   HD21  ASN1922          HD21      ASN1922 -19.805   8.630  -9.104
  286   HD22  ASN1922          HD22      ASN1922 -20.364   9.459  -7.695
  287    H    ARG1923           HN       ARG1923 -15.536   5.885  -7.632
  288    HA   ARG1923           HA       ARG1923 -15.211   6.796  -4.957
  289    HB2  ARG1923           HB2      ARG1923 -13.798   4.534  -6.343
  290    HB3  ARG1923           HB1      ARG1923 -14.009   4.738  -4.605
  291    HG2  ARG1923           HG2      ARG1923 -16.419   4.429  -4.866
  292    HG3  ARG1923           HG1      ARG1923 -16.193   4.294  -6.616
  293    HD2  ARG1923           HD2      ARG1923 -15.070   2.426  -4.536
  294    HD3  ARG1923           HD1      ARG1923 -16.434   2.093  -5.607
  295    HE   ARG1923           HE       ARG1923 -13.958   2.806  -6.930
  296   HH11  ARG1923          HH11      ARG1923 -16.082   0.112  -5.998
  297   HH12  ARG1923          HH12      ARG1923 -15.231  -0.989  -7.007
  298   HH21  ARG1923          HH21      ARG1923 -12.855   1.334  -8.150
  299   HH22  ARG1923          HH22      ARG1923 -13.366  -0.291  -8.270
  300    H    LYS1924           HN       LYS1924 -13.137   6.970  -3.852
  301    HA   LYS1924           HA       LYS1924 -10.943   7.831  -5.570
  302    HB2  LYS1924           HB2      LYS1924 -12.208   9.749  -4.526
  303    HB3  LYS1924           HB1      LYS1924 -11.775   9.107  -2.951
  304    HG2  LYS1924           HG2      LYS1924  -9.495   9.596  -3.276
  305    HG3  LYS1924           HG1      LYS1924  -9.735   9.912  -4.997
  306    HD2  LYS1924           HD2      LYS1924 -11.132  11.848  -4.445
  307    HD3  LYS1924           HD1      LYS1924 -10.891  11.525  -2.728
  308    HE2  LYS1924           HE2      LYS1924  -8.640  12.067  -4.652
  309    HE3  LYS1924           HE1      LYS1924  -9.437  13.327  -3.714
  310    HZ1  LYS1924           HZ1      LYS1924  -7.384  12.480  -2.669
  311    HZ2  LYS1924           HZ2      LYS1924  -8.153  10.952  -2.447
  312    HZ3  LYS1924           HZ3      LYS1924  -8.762  12.310  -1.731
  313    H    ILE1925           HN       ILE1925  -8.956   6.988  -4.961
  314    HA   ILE1925           HA       ILE1925  -9.172   4.837  -3.024
  315    HB   ILE1925           HB       ILE1925  -6.991   5.342  -5.082
  316   HG12  ILE1925          HG12      ILE1925  -9.270   3.357  -5.085
  317   HG13  ILE1925          HG11      ILE1925  -9.177   4.799  -6.083
  318   HG21  ILE1925          HG21      ILE1925  -6.283   3.043  -4.568
  319   HG22  ILE1925          HG22      ILE1925  -7.525   2.942  -3.319
  320   HG23  ILE1925          HG23      ILE1925  -6.190   4.078  -3.141
  321   HD11  ILE1925          HD11      ILE1925  -7.206   3.885  -7.244
  322   HD12  ILE1925          HD12      ILE1925  -8.574   2.780  -7.375
  323   HD13  ILE1925          HD13      ILE1925  -7.276   2.449  -6.231
  324    H    GLU1926           HN       GLU1926  -8.770   5.490  -1.113
  325    HA   GLU1926           HA       GLU1926  -6.589   7.376  -0.577
  326    HB2  GLU1926           HB2      GLU1926  -8.848   6.424   1.181
  327    HB3  GLU1926           HB1      GLU1926  -7.735   7.740   1.514
  328    HG2  GLU1926           HG2      GLU1926  -9.670   7.732  -0.785
  329    HG3  GLU1926           HG1      GLU1926 -10.020   8.430   0.795
  330    H    LEU1927           HN       LEU1927  -4.651   6.275   0.071
  331    HA   LEU1927           HA       LEU1927  -5.069   4.205   2.044
  332    HB2  LEU1927           HB2      LEU1927  -3.678   2.498   0.945
  333    HB3  LEU1927           HB1      LEU1927  -5.057   2.917  -0.022
  334    HG   LEU1927           HG       LEU1927  -2.286   3.986  -0.586
  335   HD11  LEU1927          HD11      LEU1927  -2.281   1.564  -0.697
  336   HD12  LEU1927          HD12      LEU1927  -2.165   2.269  -2.310
  337   HD13  LEU1927          HD13      LEU1927  -3.695   1.596  -1.748
  338   HD21  LEU1927          HD21      LEU1927  -4.121   5.265  -1.608
  339   HD22  LEU1927          HD22      LEU1927  -4.756   3.780  -2.317
  340   HD23  LEU1927          HD23      LEU1927  -3.182   4.397  -2.822
  341    H    ASN1928           HN       ASN1928  -3.135   3.624   3.219
  342    HA   ASN1928           HA       ASN1928  -0.908   5.452   2.783
  343    HB2  ASN1928           HB2      ASN1928  -2.442   6.443   4.551
  344    HB3  ASN1928           HB1      ASN1928  -2.095   5.035   5.547
  345   HD21  ASN1928          HD21      ASN1928  -1.297   6.540   7.106
  346   HD22  ASN1928          HD22      ASN1928   0.279   7.229   6.961
  347    H    VAL1929           HN       VAL1929   1.045   4.594   3.298
  348    HA   VAL1929           HA       VAL1929   0.887   1.714   3.431
  349    HB   VAL1929           HB       VAL1929   2.170   2.603   1.606
  350   HG11  VAL1929          HG11      VAL1929   3.992   3.804   3.661
  351   HG12  VAL1929          HG12      VAL1929   2.926   4.675   2.557
  352   HG13  VAL1929          HG13      VAL1929   4.291   3.751   1.924
  353   HG21  VAL1929          HG21      VAL1929   3.938   1.225   3.606
  354   HG22  VAL1929          HG22      VAL1929   4.221   1.335   1.864
  355   HG23  VAL1929          HG23      VAL1929   2.823   0.452   2.480
  356    H    CYS1930           HN       CYS1930   1.063   0.621   5.117
  357    HA   CYS1930           HA       CYS1930   1.522  -0.210   7.104
  358    HB2  CYS1930           HB2      CYS1930   4.166   1.105   6.601
  359    HB3  CYS1930           HB1      CYS1930   3.855  -0.080   7.864
  360    H    ALA1931           HN       ALA1931   0.467   2.487   6.920
  361    HA   ALA1931           HA       ALA1931   0.791   3.184   9.676
  362    HB1  ALA1931           HB1      ALA1931   1.060   5.547   9.075
  363    HB2  ALA1931           HB2      ALA1931   1.178   5.090   7.375
  364    HB3  ALA1931           HB3      ALA1931   2.423   4.577   8.511
  365    H    GLU1932           HN       GLU1932  -0.995   4.049  10.401
  366    HA   GLU1932           HA       GLU1932  -3.442   3.410   9.460
  367    HB2  GLU1932           HB2      GLU1932  -2.824   5.846  11.153
  368    HB3  GLU1932           HB1      GLU1932  -4.326   4.941  11.112
  369    HG2  GLU1932           HG2      GLU1932  -3.341   4.218  13.090
  370    HG3  GLU1932           HG1      GLU1932  -2.907   2.948  11.959
  371    H    ALA1933           HN       ALA1933  -4.744   4.149   7.889
  372    HA   ALA1933           HA       ALA1933  -3.790   6.323   6.283
  373    HB1  ALA1933           HB1      ALA1933  -4.599   4.275   5.207
  374    HB2  ALA1933           HB2      ALA1933  -5.541   5.685   4.723
  375    HB3  ALA1933           HB3      ALA1933  -6.196   4.550   5.905
  376    H    LYS1934           HN       LYS1934  -4.173   8.204   7.003
  377    HA   LYS1934           HA       LYS1934  -6.780   8.820   8.212
  378    HB2  LYS1934           HB2      LYS1934  -4.603   9.231   9.481
  379    HB3  LYS1934           HB1      LYS1934  -4.244  10.472   8.296
  380    HG2  LYS1934           HG2      LYS1934  -5.167  11.348  10.421
  381    HG3  LYS1934           HG1      LYS1934  -6.134  11.775   9.005
  382    HD2  LYS1934           HD2      LYS1934  -7.772  10.139   9.520
  383    HD3  LYS1934           HD1      LYS1934  -6.739   9.384  10.732
  384    HE2  LYS1934           HE2      LYS1934  -7.857  12.175  10.926
  385    HE3  LYS1934           HE1      LYS1934  -8.563  10.753  11.696
  386    HZ1  LYS1934           HZ1      LYS1934  -7.180  11.936  13.257
  387    HZ2  LYS1934           HZ2      LYS1934  -5.846  11.853  12.222
  388    HZ3  LYS1934           HZ3      LYS1934  -6.481  10.441  12.894
  389    H    SER1935           HN       SER1935  -6.083   8.490   5.395
  390    HA   SER1935           HA       SER1935  -5.948  10.946   4.069
  391    HB2  SER1935           HB2      SER1935  -6.712   9.347   2.170
  392    HB3  SER1935           HB1      SER1935  -5.144   9.078   2.940
  393    HG   SER1935           HG       SER1935  -6.238   7.110   2.918
  394    H    SER1936           HN       SER1936  -8.580   8.577   3.945
  395    HA   SER1936           HA       SER1936 -10.519  10.675   4.568
  396    HB2  SER1936           HB2      SER1936 -10.760   8.667   2.319
  397    HB3  SER1936           HB1      SER1936 -12.095   9.669   2.898
  398    HG   SER1936           HG       SER1936  -9.762  10.398   1.520
  399    H    CYS1937           HN       CYS1937  -9.165   8.190   5.731
  400    HA   CYS1937           HA       CYS1937 -11.559   7.331   7.014
  401    HB2  CYS1937           HB2      CYS1937 -10.306   5.030   7.251
  402    HB3  CYS1937           HB1      CYS1937 -11.138   5.412   5.750
  403    H    ALA1938           HN       ALA1938 -10.446   6.005   9.232
  404    HA   ALA1938           HA       ALA1938  -8.785   8.194  10.226
  405    HB1  ALA1938           HB1      ALA1938  -9.523   7.728  12.446
  406    HB2  ALA1938           HB2      ALA1938 -10.332   6.252  11.913
  407    HB3  ALA1938           HB3      ALA1938 -10.923   7.824  11.377
  408    H    ASN1939           HN       ASN1939  -8.855   5.026  11.822
  409    HA   ASN1939           HA       ASN1939  -6.047   4.986  11.343
  410    HB2  ASN1939           HB2      ASN1939  -5.586   4.203  13.615
  411    HB3  ASN1939           HB1      ASN1939  -6.392   5.766  13.578
  412   HD21  ASN1939          HD21      ASN1939  -6.216   3.801  15.668
  413   HD22  ASN1939          HD22      ASN1939  -7.835   3.402  16.123
  414    H    GLY1940           HN       GLY1940  -8.827   2.946  12.095
  415    HA2  GLY1940           HA2      GLY1940  -7.435   0.481  12.125
  416    HA3  GLY1940           HA1      GLY1940  -9.170   0.685  12.010
  417    H    ALA1941           HN       ALA1941  -8.209   2.377   9.518
  418    HA   ALA1941           HA       ALA1941  -8.284   0.082   7.692
  419    HB1  ALA1941           HB1      ALA1941  -9.282   1.615   6.069
  420    HB2  ALA1941           HB2      ALA1941  -9.224   2.914   7.261
  421    HB3  ALA1941           HB3      ALA1941 -10.257   1.512   7.535
  422    H    ALA1942           HN       ALA1942  -6.784   0.011   6.072
  423    HA   ALA1942           HA       ALA1942  -4.762   2.143   6.134
  424    HB1  ALA1942           HB1      ALA1942  -3.884  -0.029   6.773
  425    HB2  ALA1942           HB2      ALA1942  -3.188   0.512   5.243
  426    HB3  ALA1942           HB3      ALA1942  -4.456  -0.715   5.253
  427    H    VAL1943           HN       VAL1943  -6.952   0.307   4.187
  428    HA   VAL1943           HA       VAL1943  -6.425   2.187   1.996
  429    HB   VAL1943           HB       VAL1943  -7.419  -0.650   1.584
  430   HG11  VAL1943          HG11      VAL1943  -8.133   0.924  -0.113
  431   HG12  VAL1943          HG12      VAL1943  -6.960  -0.211  -0.783
  432   HG13  VAL1943          HG13      VAL1943  -6.464   1.431  -0.373
  433   HG21  VAL1943          HG21      VAL1943  -5.243  -1.190   0.634
  434   HG22  VAL1943          HG22      VAL1943  -5.112  -0.746   2.337
  435   HG23  VAL1943          HG23      VAL1943  -4.648   0.405   1.085
  436    H    CYS1944           HN       CYS1944  -8.127   3.438   1.851
  437    HA   CYS1944           HA       CYS1944 -10.702   2.216   2.289
  438    HB2  CYS1944           HB2      CYS1944 -11.439   4.500   3.162
  439    HB3  CYS1944           HB1      CYS1944 -10.452   3.511   4.223
  440    H    ILE1945           HN       ILE1945 -11.545   1.996   0.432
  441    HA   ILE1945           HA       ILE1945 -11.087   3.889  -1.695
  442    HB   ILE1945           HB       ILE1945 -13.096   1.600  -1.588
  443   HG12  ILE1945          HG12      ILE1945 -10.854   0.685  -1.148
  444   HG13  ILE1945          HG11      ILE1945 -11.444   0.180  -2.724
  445   HG21  ILE1945          HG21      ILE1945 -12.936   1.664  -4.031
  446   HG22  ILE1945          HG22      ILE1945 -11.815   3.019  -3.912
  447   HG23  ILE1945          HG23      ILE1945 -13.481   3.203  -3.362
  448   HD11  ILE1945          HD11      ILE1945  -9.443   2.364  -2.191
  449   HD12  ILE1945          HD12      ILE1945 -10.024   1.867  -3.782
  450   HD13  ILE1945          HD13      ILE1945  -9.087   0.745  -2.791
  451    H    THR1946           HN       THR1946 -12.032   5.761  -1.189
  452    HA   THR1946           HA       THR1946 -14.457   5.650   0.363
  453    HB   THR1946           HB       THR1946 -12.931   8.172  -0.382
  454    HG1  THR1946           HG1      THR1946 -11.568   6.454   0.643
  455   HG21  THR1946          HG21      THR1946 -15.156   8.429   0.745
  456   HG22  THR1946          HG22      THR1946 -13.816   8.933   1.793
  457   HG23  THR1946          HG23      THR1946 -14.572   7.381   2.047
  458    H    ASP1947           HN       ASP1947 -16.085   5.218  -0.857
  459    HA   ASP1947           HA       ASP1947 -16.483   6.381  -3.492
  460    HB2  ASP1947           HB2      ASP1947 -17.127   4.059  -3.288
  461    HB3  ASP1947           HB1      ASP1947 -18.064   4.390  -1.840
  462    H    GLY1948           HN       GLY1948 -16.861   8.448  -3.228
  463    HA2  GLY1948           HA2      GLY1948 -18.060  10.338  -2.730
  464    HA3  GLY1948           HA1      GLY1948 -19.328   9.295  -2.072
  465    HA   PRO1949           HA       PRO1949 -17.428  10.696   1.759
  466    HB2  PRO1949           HB2      PRO1949 -19.888  10.770   3.083
  467    HB3  PRO1949           HB1      PRO1949 -19.128  12.135   2.262
  468    HG2  PRO1949           HG2      PRO1949 -21.531  10.804   1.517
  469    HG3  PRO1949           HG1      PRO1949 -20.684  12.066   0.614
  470    HD2  PRO1949           HD2      PRO1949 -20.646   9.122   0.249
  471    HD3  PRO1949           HD1      PRO1949 -20.404  10.414  -0.947
  472    H    LYS1950           HN       LYS1950 -18.585   7.884   0.728
  473    HA   LYS1950           HA       LYS1950 -18.911   6.590   3.325
  474    HB2  LYS1950           HB2      LYS1950 -20.776   6.283   1.887
  475    HB3  LYS1950           HB1      LYS1950 -19.750   5.874   0.533
  476    HG2  LYS1950           HG2      LYS1950 -19.246   3.732   1.489
  477    HG3  LYS1950           HG1      LYS1950 -20.071   4.163   2.990
  478    HD2  LYS1950           HD2      LYS1950 -21.429   2.719   1.450
  479    HD3  LYS1950           HD1      LYS1950 -22.198   4.245   1.885
  480    HE2  LYS1950           HE2      LYS1950 -22.531   3.879  -0.460
  481    HE3  LYS1950           HE1      LYS1950 -21.388   5.200  -0.263
  482    HZ1  LYS1950           HZ1      LYS1950 -20.889   2.449  -1.215
  483    HZ2  LYS1950           HZ2      LYS1950 -19.628   3.370  -0.579
  484    HZ3  LYS1950           HZ3      LYS1950 -20.473   3.937  -1.916
  485    H    THR1951           HN       THR1951 -17.318   5.458   4.108
  486    HA   THR1951           HA       THR1951 -14.923   5.030   2.569
  487    HB   THR1951           HB       THR1951 -15.591   4.440   5.467
  488    HG1  THR1951           HG1      THR1951 -15.527   6.679   4.936
  489   HG21  THR1951          HG21      THR1951 -13.763   3.016   4.661
  490   HG22  THR1951          HG22      THR1951 -13.171   4.230   5.797
  491   HG23  THR1951          HG23      THR1951 -12.915   4.442   4.066
  492    H    LEU1952           HN       LEU1952 -14.626   3.199   1.396
  493    HA   LEU1952           HA       LEU1952 -15.773   0.690   2.385
  494    HB2  LEU1952           HB2      LEU1952 -16.351   1.223   0.062
  495    HB3  LEU1952           HB1      LEU1952 -14.657   1.425  -0.332
  496    HG   LEU1952           HG       LEU1952 -14.289  -0.983   0.086
  497   HD11  LEU1952          HD11      LEU1952 -16.065  -1.384   1.677
  498   HD12  LEU1952          HD12      LEU1952 -16.204  -2.482   0.299
  499   HD13  LEU1952          HD13      LEU1952 -17.275  -1.082   0.429
  500   HD21  LEU1952          HD21      LEU1952 -16.461  -0.347  -1.910
  501   HD22  LEU1952          HD22      LEU1952 -15.440  -1.784  -1.929
  502   HD23  LEU1952          HD23      LEU1952 -14.726  -0.190  -2.173
  503    H    ASN1953           HN       ASN1953 -14.419  -0.224   3.707
  504    HA   ASN1953           HA       ASN1953 -11.586   0.173   3.665
  505    HB2  ASN1953           HB2      ASN1953 -13.247  -1.893   5.124
  506    HB3  ASN1953           HB1      ASN1953 -11.537  -1.610   5.387
  507   HD21  ASN1953          HD21      ASN1953 -11.768   1.287   5.227
  508   HD22  ASN1953          HD22      ASN1953 -12.532   1.779   6.692
  509    H    ALA1954           HN       ALA1954 -10.400  -0.655   2.086
  510    HA   ALA1954           HA       ALA1954 -11.198  -3.147   0.823
  511    HB1  ALA1954           HB1      ALA1954 -10.395  -1.310  -0.590
  512    HB2  ALA1954           HB2      ALA1954  -9.354  -2.728  -0.730
  513    HB3  ALA1954           HB3      ALA1954  -8.841  -1.348   0.244
  514    H    GLY1955           HN       GLY1955  -8.882  -1.906   3.064
  515    HA2  GLY1955           HA2      GLY1955  -8.214  -4.564   3.891
  516    HA3  GLY1955           HA1      GLY1955  -6.870  -3.646   3.200
  517    H    LYS1956           HN       LYS1956  -7.635  -4.586   5.998
  518    HA   LYS1956           HA       LYS1956  -8.034  -2.187   7.491
  519    HB2  LYS1956           HB2      LYS1956  -7.477  -3.596   9.465
  520    HB3  LYS1956           HB1      LYS1956  -8.758  -4.275   8.468
  521    HG2  LYS1956           HG2      LYS1956  -7.236  -5.879   7.519
  522    HG3  LYS1956           HG1      LYS1956  -5.872  -5.134   8.351
  523    HD2  LYS1956           HD2      LYS1956  -8.236  -6.294   9.807
  524    HD3  LYS1956           HD1      LYS1956  -6.820  -7.255   9.381
  525    HE2  LYS1956           HE2      LYS1956  -6.751  -4.733  11.040
  526    HE3  LYS1956           HE1      LYS1956  -6.766  -6.365  11.702
  527    HZ1  LYS1956           HZ1      LYS1956  -4.613  -5.202   9.977
  528    HZ2  LYS1956           HZ2      LYS1956  -4.715  -6.790  10.434
  529    HZ3  LYS1956           HZ3      LYS1956  -4.490  -5.626  11.621
  530    H    LEU1957           HN       LEU1957  -6.440  -1.607   9.214
  531    HA   LEU1957           HA       LEU1957  -3.947  -1.071   7.986
  532    HB2  LEU1957           HB2      LEU1957  -4.996   0.575   9.493
  533    HB3  LEU1957           HB1      LEU1957  -4.934  -0.538  10.822
  534    HG   LEU1957           HG       LEU1957  -3.289   1.416  10.771
  535   HD11  LEU1957          HD11      LEU1957  -2.142  -1.338  11.187
  536   HD12  LEU1957          HD12      LEU1957  -3.178  -0.484  12.322
  537   HD13  LEU1957          HD13      LEU1957  -1.601   0.182  11.921
  538   HD21  LEU1957          HD21      LEU1957  -1.892  -0.431   8.838
  539   HD22  LEU1957          HD22      LEU1957  -1.186   1.003   9.585
  540   HD23  LEU1957          HD23      LEU1957  -2.541   1.167   8.467
  541    H    SER1958           HN       SER1958  -2.864  -2.792   7.530
  542    HA   SER1958           HA       SER1958  -1.920  -4.445   9.745
  543    HB2  SER1958           HB2      SER1958  -2.331  -5.265   6.855
  544    HB3  SER1958           HB1      SER1958  -1.783  -6.307   8.170
  545    HG   SER1958           HG       SER1958  -4.055  -6.493   7.689
  546    H    LYS1959           HN       LYS1959   0.015  -3.603  10.135
  547    HA   LYS1959           HA       LYS1959   1.612  -2.772   7.873
  548    HB2  LYS1959           HB2      LYS1959   3.096  -1.640   9.584
  549    HB3  LYS1959           HB1      LYS1959   1.470  -1.000   9.463
  550    HG2  LYS1959           HG2      LYS1959   0.870  -2.344  11.488
  551    HG3  LYS1959           HG1      LYS1959   2.569  -2.794  11.621
  552    HD2  LYS1959           HD2      LYS1959   2.126  -0.942  13.115
  553    HD3  LYS1959           HD1      LYS1959   3.151  -0.379  11.795
  554    HE2  LYS1959           HE2      LYS1959   1.194   0.589  10.681
  555    HE3  LYS1959           HE1      LYS1959   0.168  -0.041  11.971
  556    HZ1  LYS1959           HZ1      LYS1959   1.205   1.434  13.531
  557    HZ2  LYS1959           HZ2      LYS1959   0.695   2.355  12.224
  558    HZ3  LYS1959           HZ3      LYS1959   2.337   1.938  12.377
  559    H    THR1960           HN       THR1960   1.900  -4.848   7.234
  560    HA   THR1960           HA       THR1960   4.082  -6.171   8.612
  561    HB   THR1960           HB       THR1960   2.107  -7.522   9.032
  562    HG1  THR1960           HG1      THR1960   4.197  -8.538   8.019
  563   HG21  THR1960          HG21      THR1960   0.712  -8.492   7.230
  564   HG22  THR1960          HG22      THR1960   1.602  -7.533   6.048
  565   HG23  THR1960          HG23      THR1960   0.619  -6.731   7.273
  566    H    LEU1961           HN       LEU1961   5.795  -6.208   7.392
  567    HA   LEU1961           HA       LEU1961   5.456  -5.694   4.535
  568    HB2  LEU1961           HB2      LEU1961   6.485  -3.879   5.960
  569    HB3  LEU1961           HB1      LEU1961   7.818  -4.975   6.260
  570    HG   LEU1961           HG       LEU1961   8.321  -5.007   3.849
  571   HD11  LEU1961          HD11      LEU1961   6.117  -2.952   3.694
  572   HD12  LEU1961          HD12      LEU1961   6.087  -4.568   2.986
  573   HD13  LEU1961          HD13      LEU1961   7.224  -3.361   2.384
  574   HD21  LEU1961          HD21      LEU1961   8.154  -2.250   5.064
  575   HD22  LEU1961          HD22      LEU1961   9.197  -2.717   3.722
  576   HD23  LEU1961          HD23      LEU1961   9.454  -3.411   5.323
  577    H    THR1962           HN       THR1962   6.627  -6.957   3.174
  578    HA   THR1962           HA       THR1962   8.517  -8.819   4.205
  579    HB   THR1962           HB       THR1962   6.612 -10.116   4.695
  580    HG1  THR1962           HG1      THR1962   6.699 -11.405   2.319
  581   HG21  THR1962          HG21      THR1962   4.697 -10.478   3.151
  582   HG22  THR1962          HG22      THR1962   5.421  -9.301   2.039
  583   HG23  THR1962          HG23      THR1962   4.925  -8.804   3.664
  584    H    TYR1963           HN       TYR1963   8.982 -10.297   2.116
  585    HA   TYR1963           HA       TYR1963   8.972  -8.629  -0.252
  586    HB2  TYR1963           HB2      TYR1963  11.409  -9.061  -0.630
  587    HB3  TYR1963           HB1      TYR1963  11.130  -8.068   0.791
  588    HD1  TYR1963           HD2      TYR1963  11.488  -9.012   3.044
  589    HD2  TYR1963           HD1      TYR1963  12.352 -11.259  -0.458
  590    HE1  TYR1963           HE2      TYR1963  12.860 -10.550   4.370
  591    HE2  TYR1963           HE1      TYR1963  13.724 -12.796   0.860
  592    HH   TYR1963           HH       TYR1963  14.902 -12.850   2.836
  593    H    GLU1964           HN       GLU1964   8.987  -9.828  -2.104
  594    HA   GLU1964           HA       GLU1964   9.249 -12.715  -1.888
  595    HB2  GLU1964           HB2      GLU1964   6.791 -11.873  -1.505
  596    HB3  GLU1964           HB1      GLU1964   6.823 -11.531  -3.227
  597    HG2  GLU1964           HG2      GLU1964   5.790 -13.659  -2.840
  598    HG3  GLU1964           HG1      GLU1964   7.342 -13.906  -3.650
  599    H    ASP1965           HN       ASP1965  10.440 -13.319  -3.577
  600    HA   ASP1965           HA       ASP1965  11.513 -13.389  -5.575
  601    HB2  ASP1965           HB2      ASP1965   9.139 -13.092  -6.518
  602    HB3  ASP1965           HB1      ASP1965   9.476 -11.373  -6.635
  603    H    GLN1966           HN       GLN1966  11.899 -11.510  -3.471
  604    HA   GLN1966           HA       GLN1966  13.273  -9.932  -2.735
  605    HB2  GLN1966           HB2      GLN1966  14.443  -9.879  -5.520
  606    HB3  GLN1966           HB1      GLN1966  15.124  -9.035  -4.136
  607    HG2  GLN1966           HG2      GLN1966  15.321 -11.243  -2.992
  608    HG3  GLN1966           HG1      GLN1966  14.832 -12.001  -4.506
  609   HE21  GLN1966          HE21      GLN1966  16.725 -13.078  -4.765
  610   HE22  GLN1966          HE22      GLN1966  18.231 -12.306  -5.126
  611    H    VAL1967           HN       VAL1967  10.881  -9.331  -4.720
  612    HA   VAL1967           HA       VAL1967  11.150  -6.449  -4.824
  613    HB   VAL1967           HB       VAL1967   8.730  -8.214  -5.468
  614   HG11  VAL1967          HG11      VAL1967   7.911  -6.339  -6.765
  615   HG12  VAL1967          HG12      VAL1967   9.295  -5.374  -6.248
  616   HG13  VAL1967          HG13      VAL1967   8.112  -5.923  -5.063
  617   HG21  VAL1967          HG21      VAL1967  10.826  -7.139  -7.350
  618   HG22  VAL1967          HG22      VAL1967   9.358  -7.998  -7.822
  619   HG23  VAL1967          HG23      VAL1967  10.606  -8.829  -6.894
  620    H    LEU1968           HN       LEU1968   9.736  -5.094  -3.484
  621    HA   LEU1968           HA       LEU1968   9.410  -6.311  -0.899
  622    HB2  LEU1968           HB2      LEU1968  10.421  -4.043  -1.242
  623    HB3  LEU1968           HB1      LEU1968   8.860  -3.482  -1.798
  624    HG   LEU1968           HG       LEU1968   7.916  -3.983   0.425
  625   HD11  LEU1968          HD11      LEU1968   9.470  -5.738   1.091
  626   HD12  LEU1968          HD12      LEU1968   9.459  -4.431   2.280
  627   HD13  LEU1968          HD13      LEU1968  10.785  -4.566   1.127
  628   HD21  LEU1968          HD21      LEU1968   8.704  -1.742  -0.105
  629   HD22  LEU1968          HD22      LEU1968  10.329  -2.181   0.419
  630   HD23  LEU1968          HD23      LEU1968   9.008  -2.129   1.588
  631    H    LYS1969           HN       LYS1969   7.517  -6.778   0.002
  632    HA   LYS1969           HA       LYS1969   5.133  -6.354  -1.673
  633    HB2  LYS1969           HB2      LYS1969   5.906  -8.874  -0.207
  634    HB3  LYS1969           HB1      LYS1969   4.351  -8.603  -0.970
  635    HG2  LYS1969           HG2      LYS1969   6.970  -8.554  -2.455
  636    HG3  LYS1969           HG1      LYS1969   5.980  -9.997  -2.268
  637    HD2  LYS1969           HD2      LYS1969   4.129  -8.867  -3.439
  638    HD3  LYS1969           HD1      LYS1969   5.136  -7.426  -3.627
  639    HE2  LYS1969           HE2      LYS1969   6.704  -8.626  -5.000
  640    HE3  LYS1969           HE1      LYS1969   5.884 -10.152  -4.682
  641    HZ1  LYS1969           HZ1      LYS1969   4.667  -7.871  -6.203
  642    HZ2  LYS1969           HZ2      LYS1969   3.985  -9.384  -5.969
  643    HZ3  LYS1969           HZ3      LYS1969   5.387  -9.230  -6.877
  644    H    LEU1970           HN       LEU1970   3.409  -5.646  -0.714
  645    HA   LEU1970           HA       LEU1970   3.116  -5.851   2.192
  646    HB2  LEU1970           HB2      LEU1970   3.728  -3.561   1.615
  647    HB3  LEU1970           HB1      LEU1970   2.502  -3.518   0.369
  648    HG   LEU1970           HG       LEU1970   0.762  -3.686   2.141
  649   HD11  LEU1970          HD11      LEU1970   1.375  -3.244   4.451
  650   HD12  LEU1970          HD12      LEU1970   3.085  -3.322   4.018
  651   HD13  LEU1970          HD13      LEU1970   2.071  -4.758   3.877
  652   HD21  LEU1970          HD21      LEU1970   1.002  -1.381   2.901
  653   HD22  LEU1970          HD22      LEU1970   1.400  -1.550   1.189
  654   HD23  LEU1970          HD23      LEU1970   2.687  -1.389   2.381
  655    H    VAL1971           HN       VAL1971   1.093  -6.552   2.766
  656    HA   VAL1971           HA       VAL1971  -0.909  -6.709   0.648
  657    HB   VAL1971           HB       VAL1971  -1.634  -8.970   1.547
  658   HG11  VAL1971          HG11      VAL1971  -0.441  -8.777  -0.559
  659   HG12  VAL1971          HG12      VAL1971   0.061 -10.233   0.300
  660   HG13  VAL1971          HG13      VAL1971   1.104  -8.808   0.293
  661   HG21  VAL1971          HG21      VAL1971   0.044 -10.330   2.732
  662   HG22  VAL1971          HG22      VAL1971  -0.449  -8.933   3.693
  663   HG23  VAL1971          HG23      VAL1971   1.099  -8.919   2.845
  664    H    TYR1972           HN       TYR1972  -2.507  -5.516   1.194
  665    HA   TYR1972           HA       TYR1972  -3.240  -5.395   4.017
  666    HB2  TYR1972           HB2      TYR1972  -4.113  -3.612   1.714
  667    HB3  TYR1972           HB1      TYR1972  -4.897  -3.614   3.288
  668    HD1  TYR1972           HD2      TYR1972  -2.750  -3.746   5.138
  669    HD2  TYR1972           HD1      TYR1972  -2.945  -1.687   1.446
  670    HE1  TYR1972           HE2      TYR1972  -1.044  -2.215   5.926
  671    HE2  TYR1972           HE1      TYR1972  -1.209  -0.141   2.227
  672    HH   TYR1972           HH       TYR1972   0.649  -0.857   4.896
  673    H    GLU1973           HN       GLU1973  -4.453  -6.903   4.654
  674    HA   GLU1973           HA       GLU1973  -6.449  -7.895   2.825
  675    HB2  GLU1973           HB2      GLU1973  -6.435  -9.909   4.462
  676    HB3  GLU1973           HB1      GLU1973  -5.176  -9.737   3.258
  677    HG2  GLU1973           HG2      GLU1973  -4.197 -10.462   5.315
  678    HG3  GLU1973           HG1      GLU1973  -3.693  -8.809   5.004
  679    H    ASP1974           HN       ASP1974  -8.336  -8.752   3.723
  680    HA   ASP1974           HA       ASP1974 -10.431  -8.265   4.522
  681    HB2  ASP1974           HB2      ASP1974  -9.570  -9.990   5.992
  682    HB3  ASP1974           HB1      ASP1974  -8.928  -8.764   7.078
  683    H    GLY1975           HN       GLY1975 -11.086  -6.239   4.089
  684    HA2  GLY1975           HA2      GLY1975 -10.639  -4.233   6.197
  685    HA3  GLY1975           HA1      GLY1975 -11.160  -3.872   4.549
  686    H    ASP1976           HN       ASP1976 -13.263  -4.192   3.957
  687    HA   ASP1976           HA       ASP1976 -15.140  -4.847   6.109
  688    HB2  ASP1976           HB2      ASP1976 -15.444  -2.582   5.113
  689    HB3  ASP1976           HB1      ASP1976 -15.599  -3.316   3.521
  690    HA   PRO1977           HA       PRO1977 -15.252  -8.730   3.948
  691    HB2  PRO1977           HB2      PRO1977 -17.666  -9.538   5.109
  692    HB3  PRO1977           HB1      PRO1977 -16.048  -9.852   5.741
  693    HG2  PRO1977           HG2      PRO1977 -18.004  -7.749   6.504
  694    HG3  PRO1977           HG1      PRO1977 -16.836  -8.624   7.510
  695    HD2  PRO1977           HD2      PRO1977 -16.443  -6.077   6.750
  696    HD3  PRO1977           HD1      PRO1977 -15.096  -7.223   6.915
  697    H    CYS1978           HN       CYS1978 -15.685  -8.575   1.904
  698    HA   CYS1978           HA       CYS1978 -18.073  -7.356   0.910
  699    HB2  CYS1978           HB2      CYS1978 -15.770  -8.763  -0.484
  700    HB3  CYS1978           HB1      CYS1978 -17.038  -7.837  -1.284
  701    HA   PRO1979           HA       PRO1979 -20.627 -10.944   0.480
  702    HB2  PRO1979           HB2      PRO1979 -21.371 -10.882  -2.155
  703    HB3  PRO1979           HB1      PRO1979 -22.043  -9.859  -0.874
  704    HG2  PRO1979           HG2      PRO1979 -19.862  -9.247  -2.824
  705    HG3  PRO1979           HG1      PRO1979 -21.280  -8.254  -2.411
  706    HD2  PRO1979           HD2      PRO1979 -18.932  -7.707  -1.340
  707    HD3  PRO1979           HD1      PRO1979 -20.389  -7.676  -0.320
  708    H    THR1980           HN       THR1980 -17.803 -10.727  -1.314
  709    HA   THR1980           HA       THR1980 -18.048 -13.449  -2.272
  710    HB   THR1980           HB       THR1980 -15.888 -11.423  -2.848
  711    HG1  THR1980           HG1      THR1980 -17.524 -10.599  -3.982
  712   HG21  THR1980          HG21      THR1980 -15.380 -12.923  -4.726
  713   HG22  THR1980          HG22      THR1980 -16.634 -14.038  -4.186
  714   HG23  THR1980          HG23      THR1980 -15.198 -13.770  -3.189
  715    H    ASP1981           HN       ASP1981 -16.327 -11.545   0.174
  716    HA   ASP1981           HA       ASP1981 -14.605 -13.849   0.535
  717    HB2  ASP1981           HB2      ASP1981 -13.095 -12.527   1.983
  718    HB3  ASP1981           HB1      ASP1981 -13.251 -11.848   0.378
  719    H    LEU1982           HN       LEU1982 -16.482 -14.806   1.113
  720    HA   LEU1982           HA       LEU1982 -17.273 -14.562   3.913
  721    HB2  LEU1982           HB2      LEU1982 -18.245 -16.511   1.844
  722    HB3  LEU1982           HB1      LEU1982 -19.055 -16.001   3.312
  723    HG   LEU1982           HG       LEU1982 -18.563 -14.251   0.916
  724   HD11  LEU1982          HD11      LEU1982 -20.910 -14.543   0.442
  725   HD12  LEU1982          HD12      LEU1982 -21.047 -15.673   1.804
  726   HD13  LEU1982          HD13      LEU1982 -20.032 -16.076   0.415
  727   HD21  LEU1982          HD21      LEU1982 -20.164 -12.756   1.997
  728   HD22  LEU1982          HD22      LEU1982 -18.737 -13.038   3.009
  729   HD23  LEU1982          HD23      LEU1982 -20.251 -13.870   3.368
  730    H    LYS1983           HN       LYS1983 -16.321 -16.997   1.561
  731    HA   LYS1983           HA       LYS1983 -15.238 -18.742   3.657
  732    HB2  LYS1983           HB2      LYS1983 -16.271 -19.241   0.871
  733    HB3  LYS1983           HB1      LYS1983 -15.597 -20.511   1.910
  734    HG2  LYS1983           HG2      LYS1983 -17.403 -20.126   3.495
  735    HG3  LYS1983           HG1      LYS1983 -18.010 -18.808   2.496
  736    HD2  LYS1983           HD2      LYS1983 -18.445 -20.382   0.681
  737    HD3  LYS1983           HD1      LYS1983 -17.814 -21.700   1.669
  738    HE2  LYS1983           HE2      LYS1983 -20.206 -19.992   2.360
  739    HE3  LYS1983           HE1      LYS1983 -20.271 -21.623   1.687
  740    HZ1  LYS1983           HZ1      LYS1983 -19.098 -20.871   4.322
  741    HZ2  LYS1983           HZ2      LYS1983 -19.115 -22.424   3.661
  742    HZ3  LYS1983           HZ3      LYS1983 -20.567 -21.671   4.082
  743    H    MET1984           HN       MET1984 -13.901 -16.365   2.269
  744    HA   MET1984           HA       MET1984 -11.450 -17.513   1.689
  745    HB2  MET1984           HB2      MET1984 -11.260 -16.533  -0.565
  746    HB3  MET1984           HB1      MET1984 -12.549 -17.722  -0.558
  747    HG2  MET1984           HG2      MET1984 -14.215 -15.954  -0.462
  748    HG3  MET1984           HG1      MET1984 -12.945 -14.739  -0.366
  749    HE1  MET1984           HE1      MET1984 -10.809 -15.887  -2.443
  750    HE2  MET1984           HE2      MET1984 -11.275 -14.186  -2.371
  751    HE3  MET1984           HE3      MET1984 -11.283 -15.036  -3.914
  752    H    LYS1985           HN       LYS1985 -10.059 -15.701   1.529
  753    HA   LYS1985           HA       LYS1985 -11.223 -13.189   2.407
  754    HB2  LYS1985           HB2      LYS1985  -9.021 -14.632   3.818
  755    HB3  LYS1985           HB1      LYS1985  -9.074 -12.872   3.868
  756    HG2  LYS1985           HG2      LYS1985 -11.299 -14.717   4.722
  757    HG3  LYS1985           HG1      LYS1985 -10.201 -13.839   5.802
  758    HD2  LYS1985           HD2      LYS1985 -11.003 -11.725   5.005
  759    HD3  LYS1985           HD1      LYS1985 -11.954 -12.505   3.744
  760    HE2  LYS1985           HE2      LYS1985 -13.375 -13.514   5.442
  761    HE3  LYS1985           HE1      LYS1985 -12.405 -12.764   6.711
  762    HZ1  LYS1985           HZ1      LYS1985 -14.423 -11.492   6.209
  763    HZ2  LYS1985           HZ2      LYS1985 -13.867 -11.223   4.615
  764    HZ3  LYS1985           HZ3      LYS1985 -13.009 -10.624   5.933
  765    H    HIS1986           HN       HIS1986 -10.326 -11.341   1.872
  766    HA   HIS1986           HA       HIS1986  -8.673 -11.575  -0.517
  767    HB2  HIS1986           HB2      HIS1986  -9.552  -9.447  -1.237
  768    HB3  HIS1986           HB1      HIS1986 -10.884 -10.482  -0.776
  769    HD1  HIS1986           HD1      HIS1986 -12.639  -9.375   0.839
  770    HD2  HIS1986           HD2      HIS1986  -9.000  -7.333   0.733
  771    HE1  HIS1986           HE1      HIS1986 -12.978  -7.377   2.155
  772    HE2  HIS1986           HE2      HIS1986 -11.018  -5.984   1.519
  773    H    LYS1987           HN       LYS1987  -6.783 -10.527  -0.781
  774    HA   LYS1987           HA       LYS1987  -6.001  -8.580   1.192
  775    HB2  LYS1987           HB2      LYS1987  -3.649  -9.475   1.047
  776    HB3  LYS1987           HB1      LYS1987  -4.768 -10.523   1.893
  777    HG2  LYS1987           HG2      LYS1987  -4.895 -11.990  -0.031
  778    HG3  LYS1987           HG1      LYS1987  -3.867 -10.896  -0.959
  779    HD2  LYS1987           HD2      LYS1987  -2.019 -11.277   0.556
  780    HD3  LYS1987           HD1      LYS1987  -3.042 -12.256   1.605
  781    HE2  LYS1987           HE2      LYS1987  -2.418 -12.938  -1.265
  782    HE3  LYS1987           HE1      LYS1987  -1.515 -13.564   0.112
  783    HZ1  LYS1987           HZ1      LYS1987  -3.220 -15.122  -0.658
  784    HZ2  LYS1987           HZ2      LYS1987  -4.430 -14.003  -0.364
  785    HZ3  LYS1987           HZ3      LYS1987  -3.509 -14.616   0.922
  786    H    SER1988           HN       SER1988  -5.016  -6.867   0.312
  787    HA   SER1988           HA       SER1988  -5.090  -6.754  -2.578
  788    HB2  SER1988           HB2      SER1988  -4.634  -4.602  -0.500
  789    HB3  SER1988           HB1      SER1988  -4.885  -4.342  -2.240
  790    HG   SER1988           HG       SER1988  -6.682  -5.172  -0.263
  791    H    TYR1989           HN       TYR1989  -3.311  -6.427  -3.806
  792    HA   TYR1989           HA       TYR1989  -0.841  -7.329  -2.553
  793    HB2  TYR1989           HB2      TYR1989  -1.532  -7.194  -5.473
  794    HB3  TYR1989           HB1      TYR1989  -0.273  -8.158  -4.712
  795    HD1  TYR1989           HD2      TYR1989  -0.946 -10.216  -3.406
  796    HD2  TYR1989           HD1      TYR1989  -3.758  -7.950  -5.658
  797    HE1  TYR1989           HE2      TYR1989  -2.531 -12.107  -3.342
  798    HE2  TYR1989           HE1      TYR1989  -5.336  -9.822  -5.601
  799    HH   TYR1989           HH       TYR1989  -5.332 -12.191  -5.329
  800    H    PHE1990           HN       PHE1990   0.444  -5.629  -2.035
  801    HA   PHE1990           HA       PHE1990   0.678  -3.477  -4.001
  802    HB2  PHE1990           HB2      PHE1990   1.326  -3.443  -1.038
  803    HB3  PHE1990           HB1      PHE1990   1.515  -2.085  -2.148
  804    HD1  PHE1990           HD2      PHE1990  -0.429  -0.952  -3.058
  805    HD2  PHE1990           HD1      PHE1990  -0.818  -4.092  -0.235
  806    HE1  PHE1990           HE2      PHE1990  -2.730  -0.249  -2.594
  807    HE2  PHE1990           HE1      PHE1990  -3.121  -3.391   0.235
  808    HZ   PHE1990           HZ       PHE1990  -4.138  -1.574  -1.090
  809    H    SER1991           HN       SER1991   2.273  -3.971  -5.275
  810    HA   SER1991           HA       SER1991   4.627  -5.254  -4.181
  811    HB2  SER1991           HB2      SER1991   3.795  -4.734  -7.032
  812    HB3  SER1991           HB1      SER1991   5.236  -5.623  -6.525
  813    HG   SER1991           HG       SER1991   2.655  -6.449  -6.694
  814    H    PHE1992           HN       PHE1992   6.070  -3.939  -3.427
  815    HA   PHE1992           HA       PHE1992   6.468  -1.373  -4.710
  816    HB2  PHE1992           HB2      PHE1992   7.506  -2.472  -2.088
  817    HB3  PHE1992           HB1      PHE1992   7.886  -0.875  -2.728
  818    HD1  PHE1992           HD2      PHE1992   5.985   0.734  -3.117
  819    HD2  PHE1992           HD1      PHE1992   5.580  -2.827  -0.838
  820    HE1  PHE1992           HE2      PHE1992   3.964   1.642  -2.074
  821    HE2  PHE1992           HE1      PHE1992   3.555  -1.927   0.206
  822    HZ   PHE1992           HZ       PHE1992   2.738   0.307  -0.407
  823    H    VAL1993           HN       VAL1993   7.778  -1.458  -6.252
  824    HA   VAL1993           HA       VAL1993   9.975  -3.360  -6.141
  825    HB   VAL1993           HB       VAL1993   8.381  -3.964  -7.856
  826   HG11  VAL1993          HG11      VAL1993   7.258  -1.931  -8.175
  827   HG12  VAL1993          HG12      VAL1993   7.823  -2.537  -9.735
  828   HG13  VAL1993          HG13      VAL1993   8.675  -1.202  -8.939
  829   HG21  VAL1993          HG21      VAL1993  10.829  -2.755  -9.143
  830   HG22  VAL1993          HG22      VAL1993   9.758  -3.931  -9.905
  831   HG23  VAL1993          HG23      VAL1993  10.684  -4.381  -8.472
  832    H    CYS1994           HN       CYS1994  11.939  -2.632  -7.252
  833    HA   CYS1994           HA       CYS1994  13.074  -0.507  -6.097
  834    HB2  CYS1994           HB2      CYS1994  13.780  -1.708  -8.764
  835    HB3  CYS1994           HB1      CYS1994  14.832  -0.713  -7.784
  836    H    LYS1995           HN       LYS1995  13.644   1.528  -6.626
  837    HA   LYS1995           HA       LYS1995  11.650   3.118  -7.733
  838    HB2  LYS1995           HB2      LYS1995  13.178   3.750  -5.908
  839    HB3  LYS1995           HB1      LYS1995  14.493   3.844  -7.051
  840    HG2  LYS1995           HG2      LYS1995  12.048   5.598  -7.265
  841    HG3  LYS1995           HG1      LYS1995  13.423   6.018  -6.253
  842    HD2  LYS1995           HD2      LYS1995  14.855   5.895  -8.305
  843    HD3  LYS1995           HD1      LYS1995  13.366   5.640  -9.232
  844    HE2  LYS1995           HE2      LYS1995  12.499   7.782  -8.448
  845    HE3  LYS1995           HE1      LYS1995  13.953   8.036  -7.494
  846    HZ1  LYS1995           HZ1      LYS1995  13.954   7.819 -10.479
  847    HZ2  LYS1995           HZ2      LYS1995  15.245   8.260  -9.484
  848    HZ3  LYS1995           HZ3      LYS1995  13.901   9.249  -9.607
  849    H    SER1996           HN       SER1996  11.201   3.288  -9.720
  850    HA   SER1996           HA       SER1996  13.348   3.935 -11.605
  851    HB2  SER1996           HB2      SER1996  10.659   2.727 -12.267
  852    HB3  SER1996           HB1      SER1996  12.010   2.988 -13.372
  853    HG   SER1996           HG       SER1996  13.079   1.583 -11.526
  854    H    ASP1997           HN       ASP1997  10.475   4.988  -9.955
  855    HA   ASP1997           HA       ASP1997  10.446   7.385 -11.604
  856    HB2  ASP1997           HB2      ASP1997   7.945   5.941 -10.658
  857    HB3  ASP1997           HB1      ASP1997   7.971   7.513 -11.438
  858    H    ALA1998           HN       ALA1998   8.222   6.541  -9.010
  859    HA   ALA1998           HA       ALA1998   7.918   7.088  -6.936
  860    HB1  ALA1998           HB1      ALA1998  10.781   8.011  -6.832
  861    HB2  ALA1998           HB2      ALA1998  10.218   6.356  -6.610
  862    HB3  ALA1998           HB3      ALA1998   9.742   7.607  -5.447
  863    H    GLY1999           HN       GLY1999   9.942   9.567  -8.330
  864    HA2  GLY1999           HA2      GLY1999   9.583  11.673  -8.718
  865    HA3  GLY1999           HA1      GLY1999   7.866  11.441  -8.442
  866    H    ASP2000           HN       ASP2000   7.139  12.653  -6.981
  867    HA   ASP2000           HA       ASP2000   8.506  12.913  -4.400
  868    HB2  ASP2000           HB2      ASP2000   9.047  14.966  -5.573
  869    HB3  ASP2000           HB1      ASP2000   7.356  15.214  -5.993
  870    H    ASP2001           HN       ASP2001   5.556  13.104  -6.302
  871    HA   ASP2001           HA       ASP2001   3.737  13.583  -4.184
  872    HB2  ASP2001           HB2      ASP2001   3.235  12.233  -6.849
  873    HB3  ASP2001           HB1      ASP2001   1.987  12.795  -5.743
  874    H    SER2002           HN       SER2002   5.238  10.759  -5.461
  875    HA   SER2002           HA       SER2002   5.487   8.665  -4.701
  876    HB2  SER2002           HB2      SER2002   4.188   9.721  -2.174
  877    HB3  SER2002           HB1      SER2002   5.106   8.218  -2.320
  878    HG   SER2002           HG       SER2002   6.078  10.859  -2.728
  879    H    GLN2003           HN       GLN2003   3.266   9.218  -6.308
  880    HA   GLN2003           HA       GLN2003   1.011   7.901  -5.068
  881    HB2  GLN2003           HB2      GLN2003  -0.220   8.360  -7.171
  882    HB3  GLN2003           HB1      GLN2003   0.461   9.807  -6.446
  883    HG2  GLN2003           HG2      GLN2003   2.181   9.912  -8.088
  884    HG3  GLN2003           HG1      GLN2003   1.790   8.318  -8.697
  885   HE21  GLN2003          HE21      GLN2003  -0.035   8.039  -9.979
  886   HE22  GLN2003          HE22      GLN2003  -0.859   9.346 -10.720
  887    HA   PRO2004           HA       PRO2004   2.255   3.854  -6.437
  888    HB2  PRO2004           HB2      PRO2004  -0.491   3.122  -5.641
  889    HB3  PRO2004           HB1      PRO2004   1.050   2.549  -4.999
  890    HG2  PRO2004           HG2      PRO2004  -0.505   4.221  -3.543
  891    HG3  PRO2004           HG1      PRO2004   1.281   4.322  -3.567
  892    HD2  PRO2004           HD2      PRO2004  -0.737   5.952  -5.050
  893    HD3  PRO2004           HD1      PRO2004   0.672   6.485  -4.107
  894    H    VAL2005           HN       VAL2005   1.779   2.465  -8.184
  895    HA   VAL2005           HA       VAL2005  -0.019   3.590 -10.151
  896    HB   VAL2005           HB       VAL2005   1.818   1.175 -10.361
  897   HG11  VAL2005          HG11      VAL2005   0.399   2.736 -12.517
  898   HG12  VAL2005          HG12      VAL2005   0.011   1.102 -11.975
  899   HG13  VAL2005          HG13      VAL2005   1.546   1.422 -12.782
  900   HG21  VAL2005          HG21      VAL2005   2.284   4.010 -11.291
  901   HG22  VAL2005          HG22      VAL2005   3.341   2.637 -11.622
  902   HG23  VAL2005          HG23      VAL2005   3.118   3.201  -9.967
  903    H    PHE2006           HN       PHE2006  -2.040   2.980 -10.120
  904    HA   PHE2006           HA       PHE2006  -2.732   0.474  -8.880
  905    HB2  PHE2006           HB2      PHE2006  -5.095   1.250  -9.036
  906    HB3  PHE2006           HB1      PHE2006  -4.078   2.366  -8.150
  907    HD1  PHE2006           HD2      PHE2006  -3.280   4.470  -9.420
  908    HD2  PHE2006           HD1      PHE2006  -6.431   1.963 -10.784
  909    HE1  PHE2006           HE2      PHE2006  -4.130   6.308 -10.820
  910    HE2  PHE2006           HE1      PHE2006  -7.290   3.797 -12.178
  911    HZ   PHE2006           HZ       PHE2006  -6.140   5.972 -12.197
  912    H    LEU2007           HN       LEU2007  -2.772  -1.249  -9.985
  913    HA   LEU2007           HA       LEU2007  -2.877  -1.198 -12.851
  914    HB2  LEU2007           HB2      LEU2007  -2.647  -3.445 -10.847
  915    HB3  LEU2007           HB1      LEU2007  -2.807  -3.738 -12.559
  916    HG   LEU2007           HG       LEU2007  -0.640  -2.610 -12.951
  917   HD11  LEU2007          HD11      LEU2007  -0.611  -1.077 -11.060
  918   HD12  LEU2007          HD12      LEU2007   0.838  -2.081 -11.094
  919   HD13  LEU2007          HD13      LEU2007  -0.459  -2.442  -9.953
  920   HD21  LEU2007          HD21      LEU2007  -0.563  -4.809 -10.904
  921   HD22  LEU2007          HD22      LEU2007   0.767  -4.339 -11.962
  922   HD23  LEU2007          HD23      LEU2007  -0.715  -5.004 -12.650
  923    H    SER2008           HN       SER2008  -4.886  -2.388 -10.188
  924    HA   SER2008           HA       SER2008  -7.294  -1.812 -11.510
  925    HB2  SER2008           HB2      SER2008  -6.687  -3.784 -12.896
  926    HB3  SER2008           HB1      SER2008  -6.544  -4.758 -11.439
  927    HG   SER2008           HG       SER2008  -8.637  -5.018 -11.441
  928    H    PHE2009           HN       PHE2009  -9.023  -2.054 -10.155
  929    HA   PHE2009           HA       PHE2009  -8.590  -3.410  -7.610
  930    HB2  PHE2009           HB2      PHE2009  -8.887  -0.942  -7.262
  931    HB3  PHE2009           HB1      PHE2009 -10.387  -1.007  -8.180
  932    HD1  PHE2009           HD1      PHE2009  -8.750  -2.010  -5.036
  933    HD2  PHE2009           HD2      PHE2009 -12.422  -1.782  -7.175
  934    HE1  PHE2009           HE1      PHE2009  -9.982  -2.521  -2.972
  935    HE2  PHE2009           HE2      PHE2009 -13.661  -2.295  -5.116
  936    HZ   PHE2009           HZ       PHE2009 -12.442  -2.666  -3.007
  937    H    ASP2010           HN       ASP2010  -9.759  -5.172  -7.598
  938    HA   ASP2010           HA       ASP2010 -11.996  -5.330  -9.476
  939    HB2  ASP2010           HB2      ASP2010 -10.087  -7.438  -8.490
  940    HB3  ASP2010           HB1      ASP2010 -11.650  -7.865  -9.163
  941    H    GLU2011           HN       GLU2011 -13.921  -5.574  -8.746
  942    HA   GLU2011           HA       GLU2011 -14.476  -5.737  -5.939
  943    HB2  GLU2011           HB2      GLU2011 -16.833  -5.717  -6.596
  944    HB3  GLU2011           HB1      GLU2011 -15.942  -4.496  -7.498
  945    HG2  GLU2011           HG2      GLU2011 -15.827  -6.025  -9.407
  946    HG3  GLU2011           HG1      GLU2011 -16.763  -7.203  -8.494
  947    H    GLN2012           HN       GLN2012 -13.578  -7.920  -8.149
  948    HA   GLN2012           HA       GLN2012 -14.765 -10.326  -8.127
  949    HB2  GLN2012           HB2      GLN2012 -12.606  -9.794  -9.156
  950    HB3  GLN2012           HB1      GLN2012 -11.855  -9.760  -7.575
  951    HG2  GLN2012           HG2      GLN2012 -11.331 -11.802  -8.754
  952    HG3  GLN2012           HG1      GLN2012 -12.292 -12.142  -7.316
  953   HE21  GLN2012          HE21      GLN2012 -12.314 -11.887 -10.737
  954   HE22  GLN2012          HE22      GLN2012 -13.711 -12.852 -11.048
  955    H    THR2013           HN       THR2013 -12.583  -9.232  -5.575
  956    HA   THR2013           HA       THR2013 -14.348 -10.363  -3.626
  957    HB   THR2013           HB       THR2013 -12.936 -12.308  -4.088
  958    HG1  THR2013           HG1      THR2013 -12.715 -10.985  -1.679
  959   HG21  THR2013          HG21      THR2013 -10.575 -10.532  -3.458
  960   HG22  THR2013          HG22      THR2013 -10.990 -11.191  -5.040
  961   HG23  THR2013          HG23      THR2013 -10.500 -12.274  -3.736
  962    H    CYS2014           HN       CYS2014 -13.185  -7.807  -4.670
  963    HA   CYS2014           HA       CYS2014 -12.486  -5.823  -4.004
  964    HB2  CYS2014           HB2      CYS2014 -12.797  -6.865  -1.172
  965    HB3  CYS2014           HB1      CYS2014 -12.617  -5.175  -1.627
  966    H    THR2015           HN       THR2015 -10.590  -6.930  -5.017
  967    HA   THR2015           HA       THR2015  -8.307  -6.795  -3.213
  968    HB   THR2015           HB       THR2015  -7.363  -8.302  -5.181
  969    HG1  THR2015           HG1      THR2015  -8.850  -9.189  -6.368
  970   HG21  THR2015          HG21      THR2015  -9.108  -9.365  -2.947
  971   HG22  THR2015          HG22      THR2015  -7.399  -8.950  -2.819
  972   HG23  THR2015          HG23      THR2015  -7.902 -10.295  -3.837
  973    H    SER2016           HN       SER2016  -6.570  -5.603  -3.978
  974    HA   SER2016           HA       SER2016  -6.987  -4.381  -6.570
  975    HB2  SER2016           HB2      SER2016  -5.850  -2.345  -5.564
  976    HB3  SER2016           HB1      SER2016  -7.484  -2.685  -4.993
  977    HG   SER2016           HG       SER2016  -6.638  -3.490  -3.095
  978    H    TYR2017           HN       TYR2017  -5.233  -4.070  -7.821
  979    HA   TYR2017           HA       TYR2017  -2.763  -5.439  -7.000
  980    HB2  TYR2017           HB2      TYR2017  -3.875  -4.885  -9.767
  981    HB3  TYR2017           HB1      TYR2017  -2.291  -5.574  -9.455
  982    HD1  TYR2017           HD2      TYR2017  -2.161  -7.853  -8.360
  983    HD2  TYR2017           HD1      TYR2017  -5.803  -6.212  -9.815
  984    HE1  TYR2017           HE2      TYR2017  -3.172 -10.097  -8.351
  985    HE2  TYR2017           HE1      TYR2017  -6.825  -8.439  -9.800
  986    HH   TYR2017           HH       TYR2017  -5.553 -10.999  -8.159
  987    H    PHE2018           HN       PHE2018  -1.328  -3.996  -6.332
  988    HA   PHE2018           HA       PHE2018  -1.084  -1.531  -7.874
  989    HB2  PHE2018           HB2      PHE2018  -0.991  -1.942  -4.909
  990    HB3  PHE2018           HB1      PHE2018  -0.103  -0.624  -5.655
  991    HD1  PHE2018           HD1      PHE2018  -3.564  -2.075  -5.795
  992    HD2  PHE2018           HD2      PHE2018  -1.113   1.391  -5.643
  993    HE1  PHE2018           HE1      PHE2018  -5.574  -0.662  -5.714
  994    HE2  PHE2018           HE2      PHE2018  -3.104   2.806  -5.555
  995    HZ   PHE2018           HZ       PHE2018  -5.347   1.786  -5.590
  996    H    SER2019           HN       SER2019   0.935  -0.745  -8.182
  997    HA   SER2019           HA       SER2019   3.206  -2.280  -7.274
  998    HB2  SER2019           HB2      SER2019   2.607  -3.194  -9.523
  999    HB3  SER2019           HB1      SER2019   2.657  -1.566 -10.184
 1000    HG   SER2019           HG       SER2019   4.707  -1.675 -10.305
 1001    H    TRP2020           HN       TRP2020   4.909  -0.896  -6.923
 1002    HA   TRP2020           HA       TRP2020   4.678   1.829  -7.901
 1003    HB2  TRP2020           HB2      TRP2020   3.426   1.664  -5.720
 1004    HB3  TRP2020           HB1      TRP2020   4.941   1.246  -4.946
 1005    HD1  TRP2020           HD1      TRP2020   4.665   3.426  -3.392
 1006    HE1  TRP2020           HE1      TRP2020   5.136   5.918  -3.820
 1007    HE3  TRP2020           HE3      TRP2020   4.984   3.380  -8.510
 1008    HZ2  TRP2020           HZ2      TRP2020   5.628   7.612  -5.997
 1009    HZ3  TRP2020           HZ3      TRP2020   5.461   5.487  -9.667
 1010    HH2  TRP2020           HH2      TRP2020   5.776   7.553  -8.439
 1011    H    HIS2021           HN       HIS2021   6.606   2.244  -8.742
 1012    HA   HIS2021           HA       HIS2021   8.978   0.869  -7.809
 1013    HB2  HIS2021           HB2      HIS2021   8.563   2.918 -10.006
 1014    HB3  HIS2021           HB1      HIS2021  10.146   2.300  -9.574
 1015    HD1  HIS2021           HD1      HIS2021  10.814   0.032 -10.555
 1016    HD2  HIS2021           HD2      HIS2021   6.853   1.045 -11.335
 1017    HE1  HIS2021           HE1      HIS2021  10.030  -1.596 -12.276
 1018    HE2  HIS2021           HE2      HIS2021   7.793  -0.728 -12.969
 1019    H    THR2022           HN       THR2022   9.596   1.581  -5.877
 1020    HA   THR2022           HA       THR2022   9.936   4.452  -5.538
 1021    HB   THR2022           HB       THR2022   7.827   3.919  -4.419
 1022    HG1  THR2022           HG1      THR2022   8.427   5.316  -3.025
 1023   HG21  THR2022          HG21      THR2022   9.425   1.960  -2.756
 1024   HG22  THR2022          HG22      THR2022   8.189   1.546  -3.943
 1025   HG23  THR2022          HG23      THR2022   7.743   2.414  -2.474
 1026    H    SER2023           HN       SER2023  11.472   5.103  -3.946
 1027    HA   SER2023           HA       SER2023  13.917   3.856  -4.261
 1028    HB2  SER2023           HB2      SER2023  13.157   5.862  -2.153
 1029    HB3  SER2023           HB1      SER2023  14.724   5.648  -2.939
 1030    HG   SER2023           HG       SER2023  13.945   7.181  -4.198
 1031    H    LEU2024           HN       LEU2024  11.545   3.550  -1.696
 1032    HA   LEU2024           HA       LEU2024  13.498   2.283   0.069
 1033    HB2  LEU2024           HB2      LEU2024  10.641   3.125   0.572
 1034    HB3  LEU2024           HB1      LEU2024  11.632   2.305   1.754
 1035    HG   LEU2024           HG       LEU2024  11.569   4.582   2.342
 1036   HD11  LEU2024          HD11      LEU2024  13.719   3.583   2.651
 1037   HD12  LEU2024          HD12      LEU2024  13.897   5.287   2.238
 1038   HD13  LEU2024          HD13      LEU2024  14.204   4.047   1.020
 1039   HD21  LEU2024          HD21      LEU2024  12.396   5.260  -0.480
 1040   HD22  LEU2024          HD22      LEU2024  12.253   6.421   0.840
 1041   HD23  LEU2024          HD23      LEU2024  10.823   5.569   0.252
 1042    H    ALA2025           HN       ALA2025  11.932   1.193  -2.400
 1043    HA   ALA2025           HA       ALA2025  10.605  -1.103  -1.233
 1044    HB1  ALA2025           HB1      ALA2025  11.132  -0.396  -4.102
 1045    HB2  ALA2025           HB2      ALA2025   9.672  -0.013  -3.193
 1046    HB3  ALA2025           HB3      ALA2025  10.089  -1.694  -3.525
 1047    H    CYS2026           HN       CYS2026  13.005  -0.896  -3.843
 1048    HA   CYS2026           HA       CYS2026  14.763  -2.534  -2.364
 1049    HB2  CYS2026           HB2      CYS2026  15.047  -4.229  -4.193
 1050    HB3  CYS2026           HB1      CYS2026  13.498  -4.321  -3.383
 1051    H    GLU2027           HN       GLU2027  16.854  -2.809  -3.673
 1052    HA   GLU2027           HA       GLU2027  17.302  -0.188  -4.905
 1053    HB2  GLU2027           HB2      GLU2027  19.036  -1.791  -3.051
 1054    HB3  GLU2027           HB1      GLU2027  19.568  -0.322  -3.870
 1055    HG2  GLU2027           HG2      GLU2027  17.878   0.964  -2.715
 1056    HG3  GLU2027           HG1      GLU2027  17.232  -0.501  -1.979
 1057    H    GLU2028           HN       GLU2028  16.858  -3.025  -6.062
 1058    HA   GLU2028           HA       GLU2028  19.323  -3.746  -7.299
 1059    HB2  GLU2028           HB2      GLU2028  16.520  -4.356  -8.230
 1060    HB3  GLU2028           HB1      GLU2028  17.986  -5.159  -8.763
 1061    HG2  GLU2028           HG2      GLU2028  18.310  -5.956  -6.435
 1062    HG3  GLU2028           HG1      GLU2028  16.728  -5.270  -6.042
 1063    H    GLU2029           HN       GLU2029  16.540  -1.861  -8.252
 1064    HA   GLU2029           HA       GLU2029  18.024  -0.810 -10.538
 1065    HB2  GLU2029           HB2      GLU2029  15.152  -0.247  -9.688
 1066    HB3  GLU2029           HB1      GLU2029  15.908   0.296 -11.178
 1067    HG2  GLU2029           HG2      GLU2029  16.138  -2.077 -11.864
 1068    HG3  GLU2029           HG1      GLU2029  15.258  -2.539 -10.409
 1069    H    VAL2030           HN       VAL2030  19.173   0.879 -10.151
 1070    HA   VAL2030           HA       VAL2030  19.492   1.912  -7.591
 1071    HB   VAL2030           HB       VAL2030  20.480   3.076 -10.208
 1072   HG11  VAL2030          HG11      VAL2030  21.403   3.577  -7.378
 1073   HG12  VAL2030          HG12      VAL2030  20.674   4.753  -8.487
 1074   HG13  VAL2030          HG13      VAL2030  22.261   4.081  -8.830
 1075   HG21  VAL2030          HG21      VAL2030  22.539   1.863  -9.691
 1076   HG22  VAL2030          HG22      VAL2030  21.158   0.777  -9.870
 1077   HG23  VAL2030          HG23      VAL2030  21.767   1.176  -8.263
 1078    HA   PRO2031           HA       PRO2031  16.170   4.894  -7.564
 1079    HB2  PRO2031           HB2      PRO2031  16.314   5.423  -4.921
 1080    HB3  PRO2031           HB1      PRO2031  15.585   3.946  -5.554
 1081    HG2  PRO2031           HG2      PRO2031  18.245   4.351  -4.282
 1082    HG3  PRO2031           HG1      PRO2031  17.152   2.958  -4.208
 1083    HD2  PRO2031           HD2      PRO2031  19.414   3.151  -5.802
 1084    HD3  PRO2031           HD1      PRO2031  18.081   2.009  -6.037
 1085    H    ARG2032           HN       ARG2032  19.324   5.416  -7.504
 1086    HA   ARG2032           HA       ARG2032  19.184   8.235  -6.727
 1087    HB2  ARG2032           HB2      ARG2032  21.574   6.418  -7.038
 1088    HB3  ARG2032           HB1      ARG2032  21.649   8.123  -6.626
 1089    HG2  ARG2032           HG2      ARG2032  20.474   7.705  -4.557
 1090    HG3  ARG2032           HG1      ARG2032  20.296   6.002  -4.988
 1091    HD2  ARG2032           HD2      ARG2032  22.707   5.739  -4.996
 1092    HD3  ARG2032           HD1      ARG2032  22.904   7.448  -4.601
 1093    HE   ARG2032           HE       ARG2032  21.458   6.754  -2.581
 1094   HH11  ARG2032          HH11      ARG2032  24.099   4.893  -4.050
 1095   HH12  ARG2032          HH12      ARG2032  24.529   4.081  -2.621
 1096   HH21  ARG2032          HH21      ARG2032  22.079   5.676  -0.598
 1097   HH22  ARG2032          HH22      ARG2032  23.410   4.606  -0.578